data_17780 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17780 _Entry.PDB_ID 2LFT 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 17780 _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 2 2 GLN N N 91 119.729 119.729 119.174 0.555 17780 2 1 1 . 1 1 2 2 GLN HA H 91 4.407 4.407 4.720 -0.313 17780 3 1 1 . 1 1 2 2 GLN CA C 91 55.969 55.969 57.208 -1.239 17780 4 1 1 . 1 1 2 2 GLN CB C 91 29.576 29.576 29.192 0.384 17780 5 1 1 . 1 1 2 2 GLN H H 91 8.267 8.267 10.062 -1.795 17780 6 1 1 . 1 1 3 3 GLY N N 92 110.081 110.081 109.200 0.881 17780 7 1 1 . 1 1 3 3 GLY CA C 92 45.115 45.115 43.954 1.161 17780 8 1 1 . 1 1 3 3 GLY H H 92 8.515 8.515 8.037 0.478 17780 9 1 1 . 1 1 4 4 GLY N N 93 108.748 108.748 107.454 1.294 17780 10 1 1 . 1 1 4 4 GLY CA C 93 45.228 45.228 44.447 0.781 17780 11 1 1 . 1 1 4 4 GLY H H 93 8.331 8.331 8.276 0.055 17780 12 1 1 . 1 1 5 5 GLY N N 94 108.857 108.857 107.825 1.032 17780 13 1 1 . 1 1 5 5 GLY CA C 94 45.172 45.172 45.882 -0.710 17780 14 1 1 . 1 1 5 5 GLY H H 94 8.362 8.362 9.383 -1.021 17780 15 1 1 . 1 1 6 6 THR N N 95 113.538 113.538 113.560 -0.022 17780 16 1 1 . 1 1 6 6 THR HA H 95 4.282 4.282 4.979 -0.697 17780 17 1 1 . 1 1 6 6 THR CA C 95 61.906 61.906 61.872 0.034 17780 18 1 1 . 1 1 6 6 THR CB C 95 69.711 69.711 70.516 -0.805 17780 19 1 1 . 1 1 6 6 THR H H 95 8.129 8.129 9.012 -0.883 17780 20 1 1 . 1 1 7 7 HIS N N 96 121.027 121.027 119.580 1.447 17780 21 1 1 . 1 1 7 7 HIS HA H 96 4.713 4.713 5.242 -0.529 17780 22 1 1 . 1 1 7 7 HIS CA C 96 55.169 55.169 55.249 -0.080 17780 23 1 1 . 1 1 7 7 HIS CB C 96 29.575 29.575 31.602 -2.027 17780 24 1 1 . 1 1 7 7 HIS H H 96 8.497 8.497 8.617 -0.120 17780 25 1 1 . 1 1 8 8 SER N N 97 117.031 117.031 116.300 0.731 17780 26 1 1 . 1 1 8 8 SER HA H 97 4.405 4.405 5.013 -0.608 17780 27 1 1 . 1 1 8 8 SER CA C 97 58.379 58.379 57.173 1.206 17780 28 1 1 . 1 1 8 8 SER CB C 97 63.535 63.535 66.106 -2.571 17780 29 1 1 . 1 1 8 8 SER H H 97 8.275 8.275 8.943 -0.668 17780 30 1 1 . 1 1 9 9 GLN N N 98 122.084 122.084 118.998 3.086 17780 31 1 1 . 1 1 9 9 GLN HA H 98 4.279 4.279 5.163 -0.884 17780 32 1 1 . 1 1 9 9 GLN CA C 98 55.970 55.970 55.279 0.691 17780 33 1 1 . 1 1 9 9 GLN CB C 98 29.157 29.157 31.099 -1.942 17780 34 1 1 . 1 1 9 9 GLN H H 98 8.462 8.462 9.093 -0.631 17780 35 1 1 . 1 1 10 10 TRP N N 99 121.630 121.630 122.995 -1.365 17780 36 1 1 . 1 1 10 10 TRP HA H 99 4.676 4.676 5.260 -0.584 17780 37 1 1 . 1 1 10 10 TRP CA C 99 57.046 57.046 57.283 -0.237 17780 38 1 1 . 1 1 10 10 TRP CB C 99 29.440 29.440 31.214 -1.774 17780 39 1 1 . 1 1 10 10 TRP H H 99 8.086 8.086 9.258 -1.172 17780 40 1 1 . 1 1 11 11 ASN N N 100 120.591 120.591 119.498 1.093 17780 41 1 1 . 1 1 11 11 ASN HA H 100 4.602 4.602 4.363 0.239 17780 42 1 1 . 1 1 11 11 ASN CA C 100 52.675 52.675 51.753 0.922 17780 43 1 1 . 1 1 11 11 ASN CB C 100 38.781 38.781 39.821 -1.040 17780 44 1 1 . 1 1 11 11 ASN H H 100 8.095 8.095 7.585 0.510 17780 45 1 1 . 1 1 12 12 LYS N N 101 122.656 122.656 119.835 2.821 17780 46 1 1 . 1 1 12 12 LYS HA H 101 4.435 4.435 4.056 0.379 17780 47 1 1 . 1 1 12 12 LYS CA C 101 54.139 54.139 53.741 0.398 17780 48 1 1 . 1 1 12 12 LYS CB C 101 32.474 32.474 32.667 -0.193 17780 49 1 1 . 1 1 12 12 LYS H H 101 7.985 7.985 8.046 -0.061 17780 50 1 1 . 1 1 13 13 PRO HA H 102 4.425 4.425 4.378 0.047 17780 51 1 1 . 1 1 13 13 PRO CA C 102 63.065 63.065 63.550 -0.485 17780 52 1 1 . 1 1 13 13 PRO CB C 102 32.056 32.056 32.210 -0.154 17780 53 1 1 . 1 1 14 14 SER N N 103 116.881 116.881 113.299 3.582 17780 54 1 1 . 1 1 14 14 SER HA H 103 4.430 4.430 4.180 0.250 17780 55 1 1 . 1 1 14 14 SER CA C 103 57.973 57.973 58.986 -1.014 17780 56 1 1 . 1 1 14 14 SER CB C 103 63.669 63.669 62.378 1.291 17780 57 1 1 . 1 1 14 14 SER H H 103 8.420 8.420 7.996 0.424 17780 58 1 1 . 1 1 15 15 LYS N N 104 124.163 124.163 120.830 3.333 17780 59 1 1 . 1 1 15 15 LYS HA H 104 4.620 4.620 4.404 0.216 17780 60 1 1 . 1 1 15 15 LYS CA C 104 54.160 54.160 55.051 -0.891 17780 61 1 1 . 1 1 15 15 LYS CB C 104 32.606 32.606 32.373 0.233 17780 62 1 1 . 1 1 15 15 LYS H H 104 8.321 8.321 7.755 0.566 17780 63 1 1 . 1 1 16 16 PRO HA H 105 4.412 4.412 4.558 -0.146 17780 64 1 1 . 1 1 16 16 PRO CA C 105 63.012 63.012 62.953 0.059 17780 65 1 1 . 1 1 16 16 PRO CB C 105 32.152 32.152 32.560 -0.408 17780 66 1 1 . 1 1 17 17 LYS N N 106 122.072 122.072 118.656 3.416 17780 67 1 1 . 1 1 17 17 LYS HA H 106 4.338 4.338 4.484 -0.146 17780 68 1 1 . 1 1 17 17 LYS CA C 106 56.299 56.299 55.638 0.661 17780 69 1 1 . 1 1 17 17 LYS CB C 106 32.928 32.928 32.631 0.297 17780 70 1 1 . 1 1 17 17 LYS H H 106 8.516 8.516 8.434 0.082 17780 71 1 1 . 1 1 18 18 THR N N 107 115.252 115.252 114.540 0.712 17780 72 1 1 . 1 1 18 18 THR HA H 107 4.323 4.323 4.283 0.040 17780 73 1 1 . 1 1 18 18 THR CA C 107 61.523 61.523 63.130 -1.607 17780 74 1 1 . 1 1 18 18 THR CB C 107 69.778 69.778 69.020 0.758 17780 75 1 1 . 1 1 18 18 THR H H 107 8.133 8.133 8.211 -0.078 17780 76 1 1 . 1 1 19 19 ASN N N 108 121.344 121.344 122.219 -0.875 17780 77 1 1 . 1 1 19 19 ASN HA H 108 4.712 4.712 4.825 -0.113 17780 78 1 1 . 1 1 19 19 ASN CA C 108 53.019 53.019 52.239 0.780 17780 79 1 1 . 1 1 19 19 ASN CB C 108 38.728 38.728 40.325 -1.597 17780 80 1 1 . 1 1 19 19 ASN H H 108 8.537 8.537 8.344 0.193 17780 81 1 1 . 1 1 20 20 MET N N 109 121.309 121.309 119.777 1.532 17780 82 1 1 . 1 1 20 20 MET HA H 109 4.437 4.437 4.791 -0.354 17780 83 1 1 . 1 1 20 20 MET CA C 109 55.446 55.446 55.533 -0.087 17780 84 1 1 . 1 1 20 20 MET CB C 109 32.809 32.809 33.633 -0.824 17780 85 1 1 . 1 1 20 20 MET H H 109 8.346 8.346 8.598 -0.252 17780 86 1 1 . 1 1 21 21 LYS N N 110 122.292 122.292 121.170 1.122 17780 87 1 1 . 1 1 21 21 LYS HA H 110 4.237 4.237 4.652 -0.415 17780 88 1 1 . 1 1 21 21 LYS CA C 110 56.394 56.394 55.814 0.580 17780 89 1 1 . 1 1 21 21 LYS CB C 110 32.923 32.923 32.753 0.170 17780 90 1 1 . 1 1 21 21 LYS H H 110 8.300 8.300 8.855 -0.555 17780 91 1 1 . 1 1 22 22 HIS N N 111 120.193 120.193 119.733 0.460 17780 92 1 1 . 1 1 22 22 HIS HA H 111 4.642 4.642 4.707 -0.065 17780 93 1 1 . 1 1 22 22 HIS CA C 111 55.391 55.391 55.699 -0.308 17780 94 1 1 . 1 1 22 22 HIS CB C 111 29.501 29.501 29.487 0.014 17780 95 1 1 . 1 1 22 22 HIS H H 111 8.406 8.406 8.136 0.270 17780 96 1 1 . 1 1 23 23 MET N N 112 122.529 122.529 124.256 -1.727 17780 97 1 1 . 1 1 23 23 MET HA H 112 4.464 4.464 4.715 -0.251 17780 98 1 1 . 1 1 23 23 MET CA C 112 55.125 55.125 54.994 0.131 17780 99 1 1 . 1 1 23 23 MET CB C 112 32.930 32.930 35.405 -2.475 17780 100 1 1 . 1 1 23 23 MET H H 112 8.326 8.326 8.670 -0.344 17780 101 1 1 . 1 1 24 24 ALA N N 113 125.642 125.642 122.368 3.274 17780 102 1 1 . 1 1 24 24 ALA HA H 113 4.315 4.315 5.338 -1.023 17780 103 1 1 . 1 1 24 24 ALA CA C 113 52.521 52.521 51.718 0.803 17780 104 1 1 . 1 1 24 24 ALA CB C 113 19.181 19.181 21.154 -1.973 17780 105 1 1 . 1 1 24 24 ALA H H 113 8.370 8.370 8.910 -0.540 17780 106 1 1 . 1 1 25 25 GLY N N 114 108.473 108.473 107.091 1.382 17780 107 1 1 . 1 1 25 25 GLY CA C 114 45.175 45.175 45.129 0.046 17780 108 1 1 . 1 1 25 25 GLY H H 114 8.373 8.373 8.321 0.052 17780 109 1 1 . 1 1 26 26 ALA N N 115 123.872 123.872 121.337 2.535 17780 110 1 1 . 1 1 26 26 ALA HA H 115 4.316 4.316 4.810 -0.494 17780 111 1 1 . 1 1 26 26 ALA CA C 115 52.496 52.496 51.562 0.934 17780 112 1 1 . 1 1 26 26 ALA CB C 115 19.181 19.181 19.989 -0.808 17780 113 1 1 . 1 1 26 26 ALA H H 115 8.134 8.134 8.266 -0.132 17780 114 1 1 . 1 1 27 27 ALA N N 116 123.172 123.172 123.586 -0.414 17780 115 1 1 . 1 1 27 27 ALA HA H 116 4.287 4.287 4.474 -0.187 17780 116 1 1 . 1 1 27 27 ALA CA C 116 52.464 52.464 52.238 0.226 17780 117 1 1 . 1 1 27 27 ALA CB C 116 19.180 19.180 19.349 -0.169 17780 118 1 1 . 1 1 27 27 ALA H H 116 8.268 8.268 8.542 -0.274 17780 119 1 1 . 1 1 28 28 ALA N N 117 123.253 123.253 122.308 0.945 17780 120 1 1 . 1 1 28 28 ALA HA H 117 4.277 4.277 5.313 -1.036 17780 121 1 1 . 1 1 28 28 ALA CA C 117 52.383 52.383 52.059 0.325 17780 122 1 1 . 1 1 28 28 ALA CB C 117 19.156 19.156 21.033 -1.877 17780 123 1 1 . 1 1 28 28 ALA H H 117 8.169 8.169 9.091 -0.922 17780 124 1 1 . 1 1 29 29 ALA N N 118 123.225 123.225 122.930 0.295 17780 125 1 1 . 1 1 29 29 ALA HA H 118 4.282 4.282 4.546 -0.264 17780 126 1 1 . 1 1 29 29 ALA CA C 118 52.469 52.469 51.753 0.716 17780 127 1 1 . 1 1 29 29 ALA CB C 118 19.129 19.129 19.924 -0.795 17780 128 1 1 . 1 1 29 29 ALA H H 118 8.204 8.204 8.343 -0.139 17780 129 1 1 . 1 1 30 30 GLY N N 119 107.906 107.906 106.918 0.988 17780 130 1 1 . 1 1 30 30 GLY CA C 119 45.089 45.089 45.027 0.062 17780 131 1 1 . 1 1 30 30 GLY H H 119 8.271 8.271 8.442 -0.171 17780 132 1 1 . 1 1 31 31 ALA N N 120 123.540 123.540 123.409 0.131 17780 133 1 1 . 1 1 31 31 ALA HA H 120 4.339 4.339 4.574 -0.235 17780 134 1 1 . 1 1 31 31 ALA CA C 120 52.282 52.282 52.706 -0.424 17780 135 1 1 . 1 1 31 31 ALA CB C 120 19.432 19.432 19.384 0.048 17780 136 1 1 . 1 1 31 31 ALA H H 120 8.039 8.039 7.811 0.228 17780 137 1 1 . 1 1 32 32 VAL N N 121 119.579 119.579 112.749 6.830 17780 138 1 1 . 1 1 32 32 VAL HA H 121 4.117 4.117 3.749 0.368 17780 139 1 1 . 1 1 32 32 VAL CA C 121 62.142 62.142 63.591 -1.449 17780 140 1 1 . 1 1 32 32 VAL CB C 121 32.673 32.673 30.175 2.498 17780 141 1 1 . 1 1 32 32 VAL H H 121 8.109 8.109 8.687 -0.578 17780 142 1 1 . 1 1 33 33 VAL N N 122 124.655 124.655 121.640 3.015 17780 143 1 1 . 1 1 33 33 VAL HA H 122 4.081 4.081 3.904 0.177 17780 144 1 1 . 1 1 33 33 VAL CA C 122 62.430 62.430 65.258 -2.828 17780 145 1 1 . 1 1 33 33 VAL CB C 122 32.675 32.675 31.310 1.365 17780 146 1 1 . 1 1 33 33 VAL H H 122 8.262 8.262 7.485 0.777 17780 147 1 1 . 1 1 34 34 GLY N N 123 113.165 113.165 107.647 5.518 17780 148 1 1 . 1 1 34 34 GLY CA C 123 45.264 45.264 44.873 0.391 17780 149 1 1 . 1 1 34 34 GLY H H 123 8.528 8.528 8.307 0.221 17780 150 1 1 . 1 1 35 35 GLY N N 124 108.440 108.440 111.603 -3.163 17780 151 1 1 . 1 1 35 35 GLY CA C 124 45.264 45.264 45.792 -0.528 17780 152 1 1 . 1 1 35 35 GLY H H 124 8.245 8.245 8.228 0.017 17780 153 1 1 . 1 1 36 36 LEU N N 125 121.679 121.679 119.394 2.285 17780 154 1 1 . 1 1 36 36 LEU HA H 125 4.340 4.340 4.748 -0.408 17780 155 1 1 . 1 1 36 36 LEU CA C 125 54.808 54.808 54.995 -0.187 17780 156 1 1 . 1 1 36 36 LEU CB C 125 42.417 42.417 43.549 -1.132 17780 157 1 1 . 1 1 36 36 LEU H H 125 8.233 8.233 7.429 0.804 17780 158 1 1 . 1 1 37 37 GLY N N 126 109.818 109.818 106.528 3.290 17780 159 1 1 . 1 1 37 37 GLY CA C 126 46.266 46.266 45.863 0.403 17780 160 1 1 . 1 1 37 37 GLY H H 126 8.511 8.511 8.587 -0.076 17780 161 1 1 . 1 1 38 38 GLY N N 127 109.485 109.485 106.912 2.573 17780 162 1 1 . 1 1 38 38 GLY CA C 127 45.029 45.029 44.805 0.224 17780 163 1 1 . 1 1 38 38 GLY H H 127 8.374 8.374 7.968 0.406 17780 164 1 1 . 1 1 39 39 TYR N N 128 117.683 117.683 122.133 -4.450 17780 165 1 1 . 1 1 39 39 TYR HA H 128 4.501 4.501 4.693 -0.192 17780 166 1 1 . 1 1 39 39 TYR CA C 128 58.050 58.050 56.751 1.300 17780 167 1 1 . 1 1 39 39 TYR CB C 128 40.362 40.362 41.906 -1.544 17780 168 1 1 . 1 1 39 39 TYR H H 128 7.746 7.746 7.846 -0.100 17780 169 1 1 . 1 1 40 40 MET N N 129 120.902 120.902 116.720 4.182 17780 170 1 1 . 1 1 40 40 MET HA H 129 4.534 4.534 4.721 -0.187 17780 171 1 1 . 1 1 40 40 MET CA C 129 53.516 53.516 53.384 0.132 17780 172 1 1 . 1 1 40 40 MET CB C 129 34.851 34.851 36.885 -2.034 17780 173 1 1 . 1 1 40 40 MET H H 129 9.005 9.005 8.693 0.312 17780 174 1 1 . 1 1 41 41 LEU N N 130 121.514 121.514 114.745 6.769 17780 175 1 1 . 1 1 41 41 LEU HA H 130 4.464 4.464 5.221 -0.757 17780 176 1 1 . 1 1 41 41 LEU CA C 130 53.359 53.359 52.717 0.642 17780 177 1 1 . 1 1 41 41 LEU CB C 130 43.482 43.482 44.088 -0.606 17780 178 1 1 . 1 1 41 41 LEU H H 130 8.034 8.034 8.208 -0.174 17780 179 1 1 . 1 1 42 42 GLY N N 131 114.895 114.895 107.993 6.902 17780 180 1 1 . 1 1 42 42 GLY CA C 131 44.698 44.698 44.944 -0.246 17780 181 1 1 . 1 1 42 42 GLY H H 131 9.375 9.375 8.618 0.757 17780 182 1 1 . 1 1 43 43 SER N N 132 113.692 113.692 117.368 -3.676 17780 183 1 1 . 1 1 43 43 SER HA H 132 4.429 4.429 4.419 0.010 17780 184 1 1 . 1 1 43 43 SER CA C 132 58.191 58.191 58.783 -0.592 17780 185 1 1 . 1 1 43 43 SER CB C 132 63.938 63.938 63.535 0.403 17780 186 1 1 . 1 1 43 43 SER H H 132 8.345 8.345 8.284 0.061 17780 187 1 1 . 1 1 44 44 ALA N N 133 125.505 125.505 124.285 1.220 17780 188 1 1 . 1 1 44 44 ALA HA H 133 4.437 4.437 4.576 -0.139 17780 189 1 1 . 1 1 44 44 ALA CA C 133 52.936 52.936 52.068 0.868 17780 190 1 1 . 1 1 44 44 ALA CB C 133 18.412 18.412 20.636 -2.224 17780 191 1 1 . 1 1 44 44 ALA H H 133 8.735 8.735 8.258 0.476 17780 192 1 1 . 1 1 45 45 MET N N 134 120.707 120.707 123.192 -2.485 17780 193 1 1 . 1 1 45 45 MET HA H 134 4.756 4.756 5.013 -0.257 17780 194 1 1 . 1 1 45 45 MET CA C 134 54.242 54.242 53.952 0.290 17780 195 1 1 . 1 1 45 45 MET CB C 134 36.727 36.727 35.432 1.295 17780 196 1 1 . 1 1 45 45 MET H H 134 8.686 8.686 8.501 0.185 17780 197 1 1 . 1 1 46 46 SER N N 135 116.235 116.235 116.807 -0.572 17780 198 1 1 . 1 1 46 46 SER HA H 135 4.375 4.375 4.487 -0.112 17780 199 1 1 . 1 1 46 46 SER CA C 135 58.410 58.410 58.354 0.056 17780 200 1 1 . 1 1 46 46 SER CB C 135 63.016 63.016 63.740 -0.724 17780 201 1 1 . 1 1 46 46 SER H H 135 8.397 8.397 8.401 -0.004 17780 202 1 1 . 1 1 47 47 ARG N N 136 126.632 126.632 124.265 2.367 17780 203 1 1 . 1 1 47 47 ARG HA H 136 4.406 4.406 4.573 -0.167 17780 204 1 1 . 1 1 47 47 ARG CA C 136 54.783 54.783 54.837 -0.054 17780 205 1 1 . 1 1 47 47 ARG CB C 136 29.040 29.040 29.957 -0.917 17780 206 1 1 . 1 1 47 47 ARG H H 136 8.668 8.668 8.645 0.023 17780 207 1 1 . 1 1 48 48 PRO HA H 137 4.422 4.422 4.572 -0.150 17780 208 1 1 . 1 1 48 48 PRO CA C 137 62.327 62.327 62.540 -0.213 17780 209 1 1 . 1 1 48 48 PRO CB C 137 32.269 32.269 32.677 -0.408 17780 210 1 1 . 1 1 49 49 ILE N N 138 122.521 122.521 119.845 2.676 17780 211 1 1 . 1 1 49 49 ILE HA H 138 4.148 4.148 4.121 0.027 17780 212 1 1 . 1 1 49 49 ILE CA C 138 60.916 60.916 60.544 0.372 17780 213 1 1 . 1 1 49 49 ILE CB C 138 36.234 36.234 39.103 -2.869 17780 214 1 1 . 1 1 49 49 ILE H H 138 8.603 8.603 8.085 0.518 17780 215 1 1 . 1 1 50 50 ILE N N 139 126.683 126.683 125.874 0.809 17780 216 1 1 . 1 1 50 50 ILE HA H 139 3.927 3.927 3.769 0.158 17780 217 1 1 . 1 1 50 50 ILE CA C 139 58.700 58.700 58.703 -0.003 17780 218 1 1 . 1 1 50 50 ILE CB C 139 39.345 39.345 40.703 -1.357 17780 219 1 1 . 1 1 50 50 ILE H H 139 6.514 6.514 8.044 -1.530 17780 220 1 1 . 1 1 51 51 HIS N N 140 121.997 121.997 122.228 -0.231 17780 221 1 1 . 1 1 51 51 HIS HA H 140 4.918 4.918 4.436 0.482 17780 222 1 1 . 1 1 51 51 HIS CA C 140 54.065 54.065 55.292 -1.227 17780 223 1 1 . 1 1 51 51 HIS CB C 140 29.466 29.466 27.945 1.521 17780 224 1 1 . 1 1 51 51 HIS H H 140 8.203 8.203 7.426 0.777 17780 225 1 1 . 1 1 52 52 PHE N N 141 124.334 124.334 123.014 1.320 17780 226 1 1 . 1 1 52 52 PHE HA H 141 4.348 4.348 4.470 -0.122 17780 227 1 1 . 1 1 52 52 PHE CA C 141 59.251 59.251 58.801 0.450 17780 228 1 1 . 1 1 52 52 PHE CB C 141 41.448 41.448 39.662 1.786 17780 229 1 1 . 1 1 52 52 PHE H H 141 10.160 10.160 7.796 2.364 17780 230 1 1 . 1 1 53 53 GLY N N 142 108.368 108.368 105.756 2.612 17780 231 1 1 . 1 1 53 53 GLY CA C 142 45.516 45.516 45.017 0.499 17780 232 1 1 . 1 1 53 53 GLY H H 142 8.984 8.984 8.213 0.771 17780 233 1 1 . 1 1 54 54 SER N N 143 111.819 111.819 114.408 -2.589 17780 234 1 1 . 1 1 54 54 SER HA H 143 4.810 4.810 4.592 0.218 17780 235 1 1 . 1 1 54 54 SER CA C 143 56.498 56.498 57.171 -0.673 17780 236 1 1 . 1 1 54 54 SER CB C 143 65.964 65.964 64.576 1.388 17780 237 1 1 . 1 1 54 54 SER H H 143 7.334 7.334 7.690 -0.356 17780 238 1 1 . 1 1 55 55 ASP N N 144 124.249 124.249 122.648 1.601 17780 239 1 1 . 1 1 55 55 ASP HA H 144 4.500 4.500 4.527 -0.027 17780 240 1 1 . 1 1 55 55 ASP CA C 144 57.493 57.493 56.842 0.651 17780 241 1 1 . 1 1 55 55 ASP CB C 144 40.664 40.664 40.657 0.007 17780 242 1 1 . 1 1 55 55 ASP H H 144 9.014 9.014 8.690 0.324 17780 243 1 1 . 1 1 56 56 TYR N N 145 118.991 118.991 115.209 3.782 17780 244 1 1 . 1 1 56 56 TYR HA H 145 4.196 4.196 4.393 -0.197 17780 245 1 1 . 1 1 56 56 TYR CA C 145 61.351 61.351 59.409 1.942 17780 246 1 1 . 1 1 56 56 TYR CB C 145 38.075 38.075 37.065 1.010 17780 247 1 1 . 1 1 56 56 TYR H H 145 8.551 8.551 7.609 0.942 17780 248 1 1 . 1 1 57 57 GLU N N 146 119.217 119.217 120.188 -0.971 17780 249 1 1 . 1 1 57 57 GLU HA H 146 3.563 3.563 4.435 -0.872 17780 250 1 1 . 1 1 57 57 GLU CA C 146 59.921 59.921 59.038 0.883 17780 251 1 1 . 1 1 57 57 GLU CB C 146 30.297 30.297 29.506 0.791 17780 252 1 1 . 1 1 57 57 GLU H H 146 7.741 7.741 7.631 0.110 17780 253 1 1 . 1 1 58 58 ASP N N 147 119.565 119.565 120.732 -1.167 17780 254 1 1 . 1 1 58 58 ASP HA H 147 4.498 4.498 4.569 -0.071 17780 255 1 1 . 1 1 58 58 ASP CA C 147 58.185 58.185 57.573 0.612 17780 256 1 1 . 1 1 58 58 ASP CB C 147 40.598 40.598 41.002 -0.404 17780 257 1 1 . 1 1 58 58 ASP H H 147 8.139 8.139 8.188 -0.049 17780 258 1 1 . 1 1 59 59 ARG N N 148 120.296 120.296 118.468 1.828 17780 259 1 1 . 1 1 59 59 ARG HA H 148 4.004 4.004 4.077 -0.073 17780 260 1 1 . 1 1 59 59 ARG CA C 148 59.393 59.393 58.713 0.680 17780 261 1 1 . 1 1 59 59 ARG CB C 148 29.910 29.910 29.823 0.087 17780 262 1 1 . 1 1 59 59 ARG H H 148 8.181 8.181 7.734 0.447 17780 263 1 1 . 1 1 60 60 TYR N N 149 121.152 121.152 121.404 -0.252 17780 264 1 1 . 1 1 60 60 TYR HA H 149 3.819 3.819 4.219 -0.400 17780 265 1 1 . 1 1 60 60 TYR CA C 149 62.195 62.195 60.009 2.186 17780 266 1 1 . 1 1 60 60 TYR CB C 149 37.808 37.808 38.326 -0.518 17780 267 1 1 . 1 1 60 60 TYR H H 149 8.333 8.333 7.517 0.816 17780 268 1 1 . 1 1 61 61 TYR N N 150 120.365 120.365 121.380 -1.015 17780 269 1 1 . 1 1 61 61 TYR HA H 150 4.122 4.122 3.419 0.703 17780 270 1 1 . 1 1 61 61 TYR CA C 150 62.969 62.969 60.660 2.308 17780 271 1 1 . 1 1 61 61 TYR CB C 150 38.207 38.207 37.921 0.286 17780 272 1 1 . 1 1 61 61 TYR H H 150 8.942 8.942 8.279 0.663 17780 273 1 1 . 1 1 62 62 ARG N N 151 117.982 117.982 116.667 1.315 17780 274 1 1 . 1 1 62 62 ARG HA H 151 3.938 3.938 3.370 0.568 17780 275 1 1 . 1 1 62 62 ARG CA C 151 59.940 59.940 58.569 1.371 17780 276 1 1 . 1 1 62 62 ARG CB C 151 29.731 29.731 29.555 0.176 17780 277 1 1 . 1 1 62 62 ARG H H 151 7.938 7.938 7.446 0.492 17780 278 1 1 . 1 1 63 63 GLU N N 152 116.389 116.389 118.988 -2.599 17780 279 1 1 . 1 1 63 63 GLU HA H 152 4.059 4.059 4.162 -0.103 17780 280 1 1 . 1 1 63 63 GLU CA C 152 57.990 57.990 59.371 -1.381 17780 281 1 1 . 1 1 63 63 GLU CB C 152 29.915 29.915 29.285 0.630 17780 282 1 1 . 1 1 63 63 GLU H H 152 8.068 8.068 7.824 0.244 17780 283 1 1 . 1 1 64 64 ASN N N 153 114.690 114.690 116.065 -1.375 17780 284 1 1 . 1 1 64 64 ASN HA H 153 4.406 4.406 4.407 -0.001 17780 285 1 1 . 1 1 64 64 ASN CA C 153 54.814 54.814 54.255 0.559 17780 286 1 1 . 1 1 64 64 ASN CB C 153 41.178 41.178 37.550 3.628 17780 287 1 1 . 1 1 64 64 ASN H H 153 7.525 7.525 7.451 0.074 17780 288 1 1 . 1 1 65 65 MET N N 154 119.058 119.058 121.063 -2.005 17780 289 1 1 . 1 1 65 65 MET HA H 154 3.417 3.417 3.416 0.001 17780 290 1 1 . 1 1 65 65 MET CA C 154 59.193 59.193 58.400 0.793 17780 291 1 1 . 1 1 65 65 MET CB C 154 30.258 30.258 31.588 -1.330 17780 292 1 1 . 1 1 65 65 MET H H 154 7.993 7.993 7.380 0.613 17780 293 1 1 . 1 1 66 66 HIS N N 155 116.083 116.083 116.983 -0.900 17780 294 1 1 . 1 1 66 66 HIS HA H 155 4.208 4.208 4.222 -0.014 17780 295 1 1 . 1 1 66 66 HIS CA C 155 57.382 57.382 59.282 -1.900 17780 296 1 1 . 1 1 66 66 HIS CB C 155 28.955 28.955 29.398 -0.443 17780 297 1 1 . 1 1 66 66 HIS H H 155 7.988 7.988 7.358 0.630 17780 298 1 1 . 1 1 67 67 ARG N N 156 118.993 118.993 116.923 2.070 17780 299 1 1 . 1 1 67 67 ARG HA H 156 4.133 4.133 4.366 -0.233 17780 300 1 1 . 1 1 67 67 ARG CA C 156 56.135 56.135 56.275 -0.140 17780 301 1 1 . 1 1 67 67 ARG CB C 156 30.521 30.521 31.071 -0.550 17780 302 1 1 . 1 1 67 67 ARG H H 156 7.488 7.488 7.573 -0.085 17780 303 1 1 . 1 1 68 68 TYR N N 157 121.321 121.321 118.780 2.541 17780 304 1 1 . 1 1 68 68 TYR HA H 157 4.991 4.991 4.751 0.240 17780 305 1 1 . 1 1 68 68 TYR CA C 157 52.644 52.644 53.625 -0.981 17780 306 1 1 . 1 1 68 68 TYR CB C 157 34.873 34.873 37.697 -2.824 17780 307 1 1 . 1 1 68 68 TYR H H 157 7.433 7.433 7.375 0.058 17780 308 1 1 . 1 1 69 69 PRO HA H 158 4.338 4.338 4.467 -0.129 17780 309 1 1 . 1 1 69 69 PRO CA C 158 63.651 63.651 62.821 0.830 17780 310 1 1 . 1 1 69 69 PRO CB C 158 32.005 32.005 33.197 -1.192 17780 311 1 1 . 1 1 70 70 ASN N N 159 116.696 116.696 116.998 -0.302 17780 312 1 1 . 1 1 70 70 ASN HA H 159 4.690 4.690 4.669 0.021 17780 313 1 1 . 1 1 70 70 ASN CA C 159 51.997 51.997 53.324 -1.327 17780 314 1 1 . 1 1 70 70 ASN CB C 159 38.375 38.375 39.598 -1.223 17780 315 1 1 . 1 1 70 70 ASN H H 159 8.673 8.673 8.645 0.028 17780 316 1 1 . 1 1 71 71 GLN N N 160 114.313 114.313 117.053 -2.740 17780 317 1 1 . 1 1 71 71 GLN HA H 160 4.523 4.523 4.689 -0.166 17780 318 1 1 . 1 1 71 71 GLN CA C 160 54.286 54.286 54.340 -0.054 17780 319 1 1 . 1 1 71 71 GLN CB C 160 32.975 32.975 32.581 0.393 17780 320 1 1 . 1 1 71 71 GLN H H 160 7.319 7.319 7.658 -0.339 17780 321 1 1 . 1 1 72 72 VAL N N 161 112.569 112.569 114.586 -2.017 17780 322 1 1 . 1 1 72 72 VAL HA H 161 4.927 4.927 4.519 0.408 17780 323 1 1 . 1 1 72 72 VAL CA C 161 58.651 58.651 59.959 -1.308 17780 324 1 1 . 1 1 72 72 VAL CB C 161 33.812 33.812 34.093 -0.281 17780 325 1 1 . 1 1 72 72 VAL H H 161 8.477 8.477 8.216 0.261 17780 326 1 1 . 1 1 73 73 TYR N N 162 121.525 121.525 123.885 -2.360 17780 327 1 1 . 1 1 73 73 TYR HA H 162 5.507 5.507 5.420 0.087 17780 328 1 1 . 1 1 73 73 TYR CA C 162 57.133 57.133 55.783 1.350 17780 329 1 1 . 1 1 73 73 TYR CB C 162 41.970 41.970 41.616 0.354 17780 330 1 1 . 1 1 73 73 TYR H H 162 8.490 8.490 8.610 -0.120 17780 331 1 1 . 1 1 74 74 TYR N N 163 111.081 111.081 118.676 -7.595 17780 332 1 1 . 1 1 74 74 TYR HA H 163 4.758 4.758 5.163 -0.405 17780 333 1 1 . 1 1 74 74 TYR CA C 163 55.367 55.367 56.796 -1.429 17780 334 1 1 . 1 1 74 74 TYR CB C 163 40.401 40.401 40.326 0.075 17780 335 1 1 . 1 1 74 74 TYR H H 163 8.593 8.593 8.560 0.033 17780 336 1 1 . 1 1 76 76 PRO HA H 165 4.490 4.490 4.570 -0.080 17780 337 1 1 . 1 1 76 76 PRO CA C 165 62.967 62.967 63.435 -0.468 17780 338 1 1 . 1 1 76 76 PRO CB C 165 32.372 32.372 32.238 0.134 17780 339 1 1 . 1 1 77 77 MET N N 166 121.408 121.408 116.810 4.598 17780 340 1 1 . 1 1 77 77 MET HA H 166 4.438 4.438 3.976 0.462 17780 341 1 1 . 1 1 77 77 MET CA C 166 57.081 57.081 55.126 1.955 17780 342 1 1 . 1 1 77 77 MET CB C 166 32.165 32.165 30.910 1.255 17780 343 1 1 . 1 1 77 77 MET H H 166 9.013 9.013 8.614 0.398 17780 344 1 1 . 1 1 78 78 ASP N N 167 119.933 119.933 119.640 0.293 17780 345 1 1 . 1 1 78 78 ASP HA H 167 4.754 4.754 4.794 -0.040 17780 346 1 1 . 1 1 78 78 ASP CA C 167 52.485 52.485 52.898 -0.413 17780 347 1 1 . 1 1 78 78 ASP CB C 167 38.802 38.802 42.257 -3.455 17780 348 1 1 . 1 1 78 78 ASP H H 167 8.176 8.176 8.216 -0.040 17780 349 1 1 . 1 1 79 79 GLU N N 168 116.934 116.934 119.139 -2.205 17780 350 1 1 . 1 1 79 79 GLU HA H 168 4.308 4.308 4.279 0.029 17780 351 1 1 . 1 1 79 79 GLU CA C 168 58.638 58.638 56.585 2.053 17780 352 1 1 . 1 1 79 79 GLU CB C 168 29.185 29.185 27.399 1.786 17780 353 1 1 . 1 1 79 79 GLU H H 168 8.332 8.332 8.748 -0.416 17780 354 1 1 . 1 1 81 81 SER N N 170 116.603 116.603 118.383 -1.780 17780 355 1 1 . 1 1 81 81 SER HA H 170 4.374 4.374 4.426 -0.052 17780 356 1 1 . 1 1 81 81 SER CA C 170 58.475 58.475 59.270 -0.795 17780 357 1 1 . 1 1 81 81 SER CB C 170 63.677 63.677 63.403 0.274 17780 358 1 1 . 1 1 81 81 SER H H 170 8.560 8.560 8.718 -0.158 17780 359 1 1 . 1 1 83 83 GLN N N 172 120.404 120.404 118.792 1.612 17780 360 1 1 . 1 1 83 83 GLN HA H 172 4.750 4.750 4.585 0.165 17780 361 1 1 . 1 1 83 83 GLN CA C 172 59.899 59.899 54.681 5.218 17780 362 1 1 . 1 1 83 83 GLN CB C 172 29.023 29.023 32.625 -3.602 17780 363 1 1 . 1 1 83 83 GLN H H 172 8.635 8.635 8.310 0.325 17780 364 1 1 . 1 1 84 84 ASN N N 173 116.470 116.470 122.650 -6.180 17780 365 1 1 . 1 1 84 84 ASN HA H 173 4.237 4.237 4.159 0.078 17780 366 1 1 . 1 1 84 84 ASN CA C 173 56.470 56.470 56.038 0.431 17780 367 1 1 . 1 1 84 84 ASN CB C 173 37.812 37.812 38.392 -0.579 17780 368 1 1 . 1 1 84 84 ASN H H 173 8.352 8.352 8.931 -0.579 17780 369 1 1 . 1 1 85 85 ASN N N 174 118.500 118.500 119.059 -0.559 17780 370 1 1 . 1 1 85 85 ASN HA H 174 4.534 4.534 4.632 -0.098 17780 371 1 1 . 1 1 85 85 ASN CA C 174 55.905 55.905 55.662 0.243 17780 372 1 1 . 1 1 85 85 ASN CB C 174 37.760 37.760 38.366 -0.606 17780 373 1 1 . 1 1 85 85 ASN H H 174 8.602 8.602 8.370 0.232 17780 374 1 1 . 1 1 86 86 PHE CB C 175 39.641 39.641 37.961 1.680 17780 375 1 1 . 1 1 87 87 VAL N N 176 120.134 120.134 121.187 -1.053 17780 376 1 1 . 1 1 87 87 VAL HA H 176 3.564 3.564 2.678 0.886 17780 377 1 1 . 1 1 87 87 VAL CA C 176 67.737 67.737 65.953 1.784 17780 378 1 1 . 1 1 87 87 VAL CB C 176 31.951 31.951 30.497 1.454 17780 379 1 1 . 1 1 87 87 VAL H H 176 9.002 9.002 7.267 1.735 17780 380 1 1 . 1 1 88 88 HIS N N 177 117.217 117.217 117.786 -0.569 17780 381 1 1 . 1 1 88 88 HIS HA H 177 4.304 4.304 4.157 0.147 17780 382 1 1 . 1 1 88 88 HIS CA C 177 59.781 59.781 60.131 -0.350 17780 383 1 1 . 1 1 88 88 HIS CB C 177 28.264 28.264 29.680 -1.416 17780 384 1 1 . 1 1 88 88 HIS H H 177 8.330 8.330 7.944 0.386 17780 385 1 1 . 1 1 89 89 ASP N N 178 118.497 118.497 119.460 -0.963 17780 386 1 1 . 1 1 89 89 ASP HA H 178 4.500 4.500 4.602 -0.102 17780 387 1 1 . 1 1 89 89 ASP CA C 178 57.423 57.423 56.314 1.109 17780 388 1 1 . 1 1 89 89 ASP CB C 178 41.792 41.792 41.199 0.593 17780 389 1 1 . 1 1 89 89 ASP H H 178 7.696 7.696 7.821 -0.125 17780 390 1 1 . 1 1 90 90 CYS N N 179 119.012 119.012 120.387 -1.375 17780 391 1 1 . 1 1 90 90 CYS HA H 179 4.753 4.753 4.307 0.446 17780 392 1 1 . 1 1 90 90 CYS CA C 179 58.466 58.466 62.339 -3.873 17780 393 1 1 . 1 1 90 90 CYS CB C 179 40.758 40.758 25.645 15.113 17780 394 1 1 . 1 1 90 90 CYS H H 179 8.037 8.037 7.691 0.346 17780 395 1 1 . 1 1 91 91 VAL N N 180 125.063 125.063 120.512 4.551 17780 396 1 1 . 1 1 91 91 VAL HA H 180 3.667 3.667 3.614 0.053 17780 397 1 1 . 1 1 91 91 VAL CA C 180 66.293 66.293 66.839 -0.546 17780 398 1 1 . 1 1 91 91 VAL CB C 180 32.028 32.028 31.969 0.059 17780 399 1 1 . 1 1 91 91 VAL H H 180 9.212 9.212 8.472 0.740 17780 400 1 1 . 1 1 92 92 ASN N N 181 116.153 116.153 119.071 -2.918 17780 401 1 1 . 1 1 92 92 ASN HA H 181 4.311 4.311 4.449 -0.138 17780 402 1 1 . 1 1 92 92 ASN CA C 181 56.622 56.622 56.301 0.321 17780 403 1 1 . 1 1 92 92 ASN CB C 181 38.749 38.749 38.211 0.538 17780 404 1 1 . 1 1 92 92 ASN H H 181 7.626 7.626 7.489 0.137 17780 405 1 1 . 1 1 93 93 ILE N N 182 118.637 118.637 119.683 -1.046 17780 406 1 1 . 1 1 93 93 ILE HA H 182 3.787 3.787 3.692 0.095 17780 407 1 1 . 1 1 93 93 ILE CA C 182 62.078 62.078 63.740 -1.662 17780 408 1 1 . 1 1 93 93 ILE CB C 182 36.535 36.535 36.286 0.249 17780 409 1 1 . 1 1 93 93 ILE H H 182 8.610 8.610 8.598 0.012 17780 410 1 1 . 1 1 94 94 THR N N 183 118.229 118.229 117.717 0.512 17780 411 1 1 . 1 1 94 94 THR HA H 183 4.097 4.097 3.992 0.105 17780 412 1 1 . 1 1 94 94 THR CA C 183 68.834 68.834 67.291 1.543 17780 413 1 1 . 1 1 94 94 THR CB C 183 68.258 68.258 68.753 -0.495 17780 414 1 1 . 1 1 94 94 THR H H 183 8.140 8.140 8.109 0.031 17780 415 1 1 . 1 1 95 95 ILE N N 184 120.906 120.906 121.202 -0.296 17780 416 1 1 . 1 1 95 95 ILE HA H 184 3.666 3.666 3.910 -0.244 17780 417 1 1 . 1 1 95 95 ILE CA C 184 66.259 66.259 62.869 3.390 17780 418 1 1 . 1 1 95 95 ILE CB C 184 36.824 36.824 37.956 -1.132 17780 419 1 1 . 1 1 95 95 ILE H H 184 8.450 8.450 7.832 0.618 17780 420 1 1 . 1 1 96 96 LYS N N 185 123.208 123.208 121.510 1.698 17780 421 1 1 . 1 1 96 96 LYS HA H 185 4.067 4.067 3.849 0.218 17780 422 1 1 . 1 1 96 96 LYS CA C 185 59.987 59.987 60.235 -0.248 17780 423 1 1 . 1 1 96 96 LYS CB C 185 32.119 32.119 32.173 -0.054 17780 424 1 1 . 1 1 96 96 LYS H H 185 8.067 8.067 8.452 -0.385 17780 425 1 1 . 1 1 97 97 GLN N N 186 116.879 116.879 118.466 -1.587 17780 426 1 1 . 1 1 97 97 GLN HA H 186 4.059 4.059 3.988 0.071 17780 427 1 1 . 1 1 97 97 GLN CA C 186 58.010 58.010 59.064 -1.054 17780 428 1 1 . 1 1 97 97 GLN CB C 186 27.982 27.982 28.225 -0.243 17780 429 1 1 . 1 1 97 97 GLN H H 186 8.493 8.493 8.478 0.015 17780 430 1 1 . 1 1 98 98 HIS N N 187 119.676 119.676 121.717 -2.041 17780 431 1 1 . 1 1 98 98 HIS HA H 187 4.579 4.579 4.383 0.196 17780 432 1 1 . 1 1 98 98 HIS CA C 187 59.465 59.465 59.416 0.049 17780 433 1 1 . 1 1 98 98 HIS CB C 187 31.628 31.628 29.671 1.957 17780 434 1 1 . 1 1 98 98 HIS H H 187 8.435 8.435 7.610 0.825 17780 435 1 1 . 1 1 99 99 THR N N 188 114.500 114.500 114.762 -0.262 17780 436 1 1 . 1 1 99 99 THR HA H 188 4.090 4.090 3.776 0.314 17780 437 1 1 . 1 1 99 99 THR CA C 188 66.210 66.210 65.708 0.502 17780 438 1 1 . 1 1 99 99 THR CB C 188 68.800 68.800 68.434 0.366 17780 439 1 1 . 1 1 99 99 THR H H 188 8.440 8.440 8.240 0.200 17780 440 1 1 . 1 1 100 100 VAL N N 189 122.934 122.934 120.840 2.094 17780 441 1 1 . 1 1 100 100 VAL HA H 189 3.838 3.838 3.892 -0.054 17780 442 1 1 . 1 1 100 100 VAL CA C 189 65.832 65.832 65.370 0.462 17780 443 1 1 . 1 1 100 100 VAL CB C 189 31.897 31.897 31.477 0.420 17780 444 1 1 . 1 1 100 100 VAL H H 189 8.057 8.057 8.113 -0.056 17780 445 1 1 . 1 1 101 101 THR N N 190 115.101 115.101 113.281 1.820 17780 446 1 1 . 1 1 101 101 THR HA H 190 4.140 4.140 4.182 -0.042 17780 447 1 1 . 1 1 101 101 THR CA C 190 64.907 64.907 66.389 -1.483 17780 448 1 1 . 1 1 101 101 THR CB C 190 69.041 69.041 68.183 0.858 17780 449 1 1 . 1 1 101 101 THR H H 190 8.131 8.131 7.706 0.425 17780 450 1 1 . 1 1 102 102 THR N N 191 114.546 114.546 119.278 -4.732 17780 451 1 1 . 1 1 102 102 THR HA H 191 4.092 4.092 3.875 0.217 17780 452 1 1 . 1 1 102 102 THR CA C 191 64.801 64.801 68.041 -3.240 17780 453 1 1 . 1 1 102 102 THR CB C 191 69.145 69.145 68.212 0.933 17780 454 1 1 . 1 1 102 102 THR H H 191 8.011 8.011 8.161 -0.150 17780 455 1 1 . 1 1 103 103 THR N N 192 117.876 117.876 113.427 4.449 17780 456 1 1 . 1 1 103 103 THR HA H 192 4.373 4.373 4.695 -0.322 17780 457 1 1 . 1 1 103 103 THR CA C 192 64.935 64.935 65.261 -0.326 17780 458 1 1 . 1 1 103 103 THR CB C 192 69.043 69.043 68.250 0.793 17780 459 1 1 . 1 1 103 103 THR H H 192 8.224 8.224 7.550 0.674 17780 460 1 1 . 1 1 104 104 THR N N 193 116.232 116.232 118.372 -2.140 17780 461 1 1 . 1 1 104 104 THR HA H 193 4.204 4.204 4.123 0.081 17780 462 1 1 . 1 1 104 104 THR CA C 193 64.311 64.311 65.484 -1.173 17780 463 1 1 . 1 1 104 104 THR CB C 193 68.981 68.981 68.582 0.399 17780 464 1 1 . 1 1 104 104 THR H H 193 7.805 7.805 7.528 0.277 17780 465 1 1 . 1 1 105 105 LYS N N 194 119.843 119.843 118.421 1.422 17780 466 1 1 . 1 1 105 105 LYS HA H 194 4.384 4.384 4.403 -0.019 17780 467 1 1 . 1 1 105 105 LYS CA C 194 56.220 56.220 55.388 0.832 17780 468 1 1 . 1 1 105 105 LYS CB C 194 32.527 32.527 32.508 0.019 17780 469 1 1 . 1 1 105 105 LYS H H 194 7.504 7.504 7.742 -0.238 17780 470 1 1 . 1 1 106 106 GLY N N 195 107.946 107.946 107.771 0.175 17780 471 1 1 . 1 1 106 106 GLY CA C 195 45.431 45.431 45.212 0.219 17780 472 1 1 . 1 1 106 106 GLY H H 195 7.924 7.924 7.619 0.305 17780 473 1 1 . 1 1 107 107 GLU N N 196 120.063 120.063 120.156 -0.093 17780 474 1 1 . 1 1 107 107 GLU HA H 196 4.255 4.255 4.637 -0.382 17780 475 1 1 . 1 1 107 107 GLU CA C 196 55.597 55.597 54.804 0.793 17780 476 1 1 . 1 1 107 107 GLU CB C 196 31.073 31.073 32.564 -1.491 17780 477 1 1 . 1 1 107 107 GLU H H 196 7.465 7.465 8.261 -0.796 17780 478 1 1 . 1 1 108 108 ASN N N 197 119.350 119.350 119.180 0.170 17780 479 1 1 . 1 1 108 108 ASN HA H 197 4.657 4.657 5.051 -0.394 17780 480 1 1 . 1 1 108 108 ASN CA C 197 52.673 52.673 53.384 -0.711 17780 481 1 1 . 1 1 108 108 ASN CB C 197 40.827 40.827 39.777 1.050 17780 482 1 1 . 1 1 108 108 ASN H H 197 8.458 8.458 8.575 -0.117 17780 483 1 1 . 1 1 109 109 PHE N N 198 121.688 121.688 121.255 0.433 17780 484 1 1 . 1 1 109 109 PHE HA H 198 5.317 5.317 4.854 0.463 17780 485 1 1 . 1 1 109 109 PHE CA C 198 56.571 56.571 56.567 0.004 17780 486 1 1 . 1 1 109 109 PHE CB C 198 40.093 40.093 42.536 -2.443 17780 487 1 1 . 1 1 109 109 PHE H H 198 8.709 8.709 8.437 0.272 17780 488 1 1 . 1 1 110 110 THR N N 199 115.904 115.904 115.240 0.664 17780 489 1 1 . 1 1 110 110 THR HA H 199 4.624 4.624 4.581 0.043 17780 490 1 1 . 1 1 110 110 THR CA C 199 60.343 60.343 61.022 -0.679 17780 491 1 1 . 1 1 110 110 THR CB C 199 72.033 72.033 70.491 1.542 17780 492 1 1 . 1 1 110 110 THR H H 199 9.547 9.547 8.994 0.553 17780 493 1 1 . 1 1 111 111 GLU N N 200 119.988 119.988 121.281 -1.293 17780 494 1 1 . 1 1 111 111 GLU HA H 200 4.067 4.067 3.985 0.082 17780 495 1 1 . 1 1 111 111 GLU CA C 200 60.027 60.027 59.931 0.096 17780 496 1 1 . 1 1 111 111 GLU CB C 200 28.976 28.976 28.753 0.223 17780 497 1 1 . 1 1 111 111 GLU H H 200 9.132 9.132 8.922 0.210 17780 498 1 1 . 1 1 112 112 THR N N 201 116.221 116.221 116.274 -0.053 17780 499 1 1 . 1 1 112 112 THR HA H 201 3.796 3.796 4.071 -0.275 17780 500 1 1 . 1 1 112 112 THR CA C 201 66.781 66.781 66.536 0.245 17780 501 1 1 . 1 1 112 112 THR CB C 201 68.581 68.581 68.494 0.087 17780 502 1 1 . 1 1 112 112 THR H H 201 7.934 7.934 8.141 -0.207 17780 503 1 1 . 1 1 113 113 ASP N N 202 120.001 120.001 122.850 -2.849 17780 504 1 1 . 1 1 113 113 ASP HA H 202 4.598 4.598 4.592 0.006 17780 505 1 1 . 1 1 113 113 ASP CA C 202 57.984 57.984 58.105 -0.121 17780 506 1 1 . 1 1 113 113 ASP CB C 202 41.756 41.756 41.089 0.667 17780 507 1 1 . 1 1 113 113 ASP H H 202 7.503 7.503 8.117 -0.614 17780 508 1 1 . 1 1 114 114 VAL N N 203 119.529 119.529 119.438 0.091 17780 509 1 1 . 1 1 114 114 VAL HA H 203 3.279 3.279 3.574 -0.295 17780 510 1 1 . 1 1 114 114 VAL CA C 203 67.817 67.817 65.965 1.852 17780 511 1 1 . 1 1 114 114 VAL CB C 203 31.528 31.528 31.160 0.368 17780 512 1 1 . 1 1 114 114 VAL H H 203 8.209 8.209 7.765 0.444 17780 513 1 1 . 1 1 115 115 LYS N N 204 119.051 119.051 120.350 -1.299 17780 514 1 1 . 1 1 115 115 LYS HA H 204 4.082 4.082 4.310 -0.228 17780 515 1 1 . 1 1 115 115 LYS CA C 204 59.268 59.268 59.376 -0.108 17780 516 1 1 . 1 1 115 115 LYS CB C 204 31.979 31.979 32.655 -0.676 17780 517 1 1 . 1 1 115 115 LYS H H 204 7.714 7.714 8.202 -0.488 17780 518 1 1 . 1 1 116 116 MET N N 205 118.581 118.581 116.682 1.899 17780 519 1 1 . 1 1 116 116 MET HA H 205 4.167 4.167 4.490 -0.323 17780 520 1 1 . 1 1 116 116 MET CA C 205 59.984 59.984 58.699 1.285 17780 521 1 1 . 1 1 116 116 MET CB C 205 32.933 32.933 33.117 -0.184 17780 522 1 1 . 1 1 116 116 MET H H 205 8.182 8.182 8.201 -0.019 17780 523 1 1 . 1 1 117 117 MET N N 206 118.259 118.259 117.776 0.483 17780 524 1 1 . 1 1 117 117 MET HA H 206 3.561 3.561 4.129 -0.568 17780 525 1 1 . 1 1 117 117 MET CA C 206 59.967 59.967 58.390 1.577 17780 526 1 1 . 1 1 117 117 MET CB C 206 33.824 33.824 31.813 2.011 17780 527 1 1 . 1 1 117 117 MET H H 206 8.691 8.691 7.952 0.739 17780 528 1 1 . 1 1 118 118 GLU N N 207 118.878 118.878 120.189 -1.311 17780 529 1 1 . 1 1 118 118 GLU HA H 207 3.658 3.658 3.897 -0.239 17780 530 1 1 . 1 1 118 118 GLU CA C 207 60.702 60.702 59.486 1.216 17780 531 1 1 . 1 1 118 118 GLU CB C 207 29.000 29.000 29.296 -0.296 17780 532 1 1 . 1 1 118 118 GLU H H 207 8.544 8.544 8.038 0.506 17780 533 1 1 . 1 1 119 119 ARG N N 208 116.694 116.694 117.866 -1.172 17780 534 1 1 . 1 1 119 119 ARG HA H 208 4.228 4.228 4.033 0.195 17780 535 1 1 . 1 1 119 119 ARG CA C 208 58.554 58.554 58.650 -0.096 17780 536 1 1 . 1 1 119 119 ARG CB C 208 30.136 30.136 29.872 0.264 17780 537 1 1 . 1 1 119 119 ARG H H 208 7.289 7.289 7.753 -0.464 17780 538 1 1 . 1 1 120 120 VAL N N 209 119.035 119.035 115.432 3.603 17780 539 1 1 . 1 1 120 120 VAL HA H 209 3.837 3.837 4.035 -0.198 17780 540 1 1 . 1 1 120 120 VAL CA C 209 65.766 65.766 65.317 0.449 17780 541 1 1 . 1 1 120 120 VAL CB C 209 32.213 32.213 32.084 0.129 17780 542 1 1 . 1 1 120 120 VAL H H 209 8.279 8.279 7.315 0.964 17780 543 1 1 . 1 1 121 121 VAL N N 210 121.668 121.668 116.322 5.346 17780 544 1 1 . 1 1 121 121 VAL HA H 210 3.597 3.597 3.745 -0.148 17780 545 1 1 . 1 1 121 121 VAL CA C 210 66.639 66.639 65.648 0.991 17780 546 1 1 . 1 1 121 121 VAL CB C 210 31.097 31.097 30.895 0.202 17780 547 1 1 . 1 1 121 121 VAL H H 210 9.183 9.183 7.593 1.591 17780 548 1 1 . 1 1 122 122 GLU N N 211 120.770 120.770 120.322 0.448 17780 549 1 1 . 1 1 122 122 GLU HA H 211 3.603 3.603 3.800 -0.197 17780 550 1 1 . 1 1 122 122 GLU CA C 211 61.132 61.132 59.982 1.150 17780 551 1 1 . 1 1 122 122 GLU CB C 211 29.153 29.153 28.987 0.166 17780 552 1 1 . 1 1 122 122 GLU H H 211 8.041 8.041 7.710 0.331 17780 553 1 1 . 1 1 123 123 GLN N N 212 114.580 114.580 117.246 -2.666 17780 554 1 1 . 1 1 123 123 GLN HA H 212 3.662 3.662 4.100 -0.438 17780 555 1 1 . 1 1 123 123 GLN CA C 212 58.509 58.509 57.806 0.703 17780 556 1 1 . 1 1 123 123 GLN CB C 212 27.824 27.824 27.977 -0.153 17780 557 1 1 . 1 1 123 123 GLN H H 212 7.096 7.096 7.955 -0.859 17780 558 1 1 . 1 1 124 124 MET N N 213 119.748 119.748 120.733 -0.985 17780 559 1 1 . 1 1 124 124 MET HA H 213 4.167 4.167 4.245 -0.078 17780 560 1 1 . 1 1 124 124 MET CA C 213 59.928 59.928 58.968 0.960 17780 561 1 1 . 1 1 124 124 MET CB C 213 34.529 34.529 32.699 1.830 17780 562 1 1 . 1 1 124 124 MET H H 213 8.145 8.145 7.661 0.484 17780 563 1 1 . 1 1 125 125 CYS N N 214 119.538 119.538 119.153 0.385 17780 564 1 1 . 1 1 125 125 CYS HA H 214 4.427 4.427 4.227 0.200 17780 565 1 1 . 1 1 125 125 CYS CA C 214 59.838 59.838 62.016 -2.178 17780 566 1 1 . 1 1 125 125 CYS CB C 214 41.798 41.798 25.599 16.199 17780 567 1 1 . 1 1 125 125 CYS H H 214 9.275 9.275 7.894 1.381 17780 568 1 1 . 1 1 126 126 ILE N N 215 123.982 123.982 120.698 3.284 17780 569 1 1 . 1 1 126 126 ILE HA H 215 3.579 3.579 3.816 -0.237 17780 570 1 1 . 1 1 126 126 ILE CA C 215 66.649 66.649 65.313 1.336 17780 571 1 1 . 1 1 126 126 ILE CB C 215 38.152 38.152 37.794 0.359 17780 572 1 1 . 1 1 126 126 ILE H H 215 8.434 8.434 7.610 0.824 17780 573 1 1 . 1 1 127 127 THR N N 216 118.728 118.728 116.264 2.464 17780 574 1 1 . 1 1 127 127 THR HA H 216 3.835 3.835 3.953 -0.118 17780 575 1 1 . 1 1 127 127 THR CA C 216 67.425 67.425 66.979 0.446 17780 576 1 1 . 1 1 127 127 THR CB C 216 68.035 68.035 68.206 -0.171 17780 577 1 1 . 1 1 127 127 THR H H 216 8.097 8.097 7.637 0.460 17780 578 1 1 . 1 1 128 128 GLN N N 217 122.368 122.368 120.374 1.994 17780 579 1 1 . 1 1 128 128 GLN HA H 217 3.662 3.662 4.183 -0.521 17780 580 1 1 . 1 1 128 128 GLN CA C 217 58.462 58.462 58.382 0.080 17780 581 1 1 . 1 1 128 128 GLN CB C 217 28.075 28.075 28.372 -0.297 17780 582 1 1 . 1 1 128 128 GLN H H 217 8.637 8.637 7.662 0.975 17780 583 1 1 . 1 1 129 129 TYR N N 218 121.512 121.512 122.830 -1.318 17780 584 1 1 . 1 1 129 129 TYR HA H 218 2.929 2.929 3.945 -1.016 17780 585 1 1 . 1 1 129 129 TYR CA C 218 61.904 61.904 61.772 0.132 17780 586 1 1 . 1 1 129 129 TYR CB C 218 37.075 37.075 38.405 -1.330 17780 587 1 1 . 1 1 129 129 TYR H H 218 8.705 8.705 9.044 -0.339 17780 588 1 1 . 1 1 130 130 LYS N N 219 120.801 120.801 117.501 3.300 17780 589 1 1 . 1 1 130 130 LYS HA H 219 3.667 3.667 3.787 -0.120 17780 590 1 1 . 1 1 130 130 LYS CA C 219 60.001 60.001 57.712 2.289 17780 591 1 1 . 1 1 130 130 LYS CB C 219 31.732 31.732 31.625 0.107 17780 592 1 1 . 1 1 130 130 LYS H H 219 8.232 8.232 8.399 -0.167 17780 593 1 1 . 1 1 131 131 ARG HA H 220 3.978 3.978 4.009 -0.031 17780 594 1 1 . 1 1 131 131 ARG CA C 220 59.013 59.013 58.717 0.296 17780 595 1 1 . 1 1 131 131 ARG CB C 220 30.028 30.028 29.834 0.194 17780 596 1 1 . 1 1 132 132 GLU N N 221 119.690 119.690 119.005 0.685 17780 597 1 1 . 1 1 132 132 GLU HA H 221 4.035 4.035 4.146 -0.111 17780 598 1 1 . 1 1 132 132 GLU CA C 221 58.006 58.006 58.204 -0.198 17780 599 1 1 . 1 1 132 132 GLU CB C 221 29.270 29.270 28.822 0.449 17780 600 1 1 . 1 1 132 132 GLU H H 221 8.521 8.521 8.402 0.119 17780 601 1 1 . 1 1 133 133 SER N N 222 115.963 115.963 114.736 1.227 17780 602 1 1 . 1 1 133 133 SER HA H 222 3.884 3.884 3.827 0.057 17780 603 1 1 . 1 1 133 133 SER CA C 222 61.500 61.500 61.516 -0.016 17780 604 1 1 . 1 1 133 133 SER CB C 222 62.207 62.207 61.752 0.455 17780 605 1 1 . 1 1 133 133 SER H H 222 8.543 8.543 8.126 0.417 17780 606 1 1 . 1 1 134 134 GLN N N 223 120.695 120.695 121.164 -0.469 17780 607 1 1 . 1 1 134 134 GLN HA H 223 4.152 4.152 3.725 0.427 17780 608 1 1 . 1 1 134 134 GLN CA C 223 58.646 58.646 58.197 0.449 17780 609 1 1 . 1 1 134 134 GLN CB C 223 28.299 28.299 28.361 -0.062 17780 610 1 1 . 1 1 134 134 GLN H H 223 7.486 7.486 7.341 0.145 17780 611 1 1 . 1 1 135 135 ALA N N 224 120.905 120.905 120.884 0.021 17780 612 1 1 . 1 1 135 135 ALA HA H 224 4.169 4.169 4.118 0.051 17780 613 1 1 . 1 1 135 135 ALA CA C 224 54.404 54.404 54.223 0.181 17780 614 1 1 . 1 1 135 135 ALA CB C 224 18.233 18.233 18.352 -0.119 17780 615 1 1 . 1 1 135 135 ALA H H 224 7.497 7.497 7.379 0.118 17780 616 1 1 . 1 1 136 136 TYR N N 225 119.969 119.969 121.148 -1.179 17780 617 1 1 . 1 1 136 136 TYR HA H 225 4.080 4.080 4.094 -0.014 17780 618 1 1 . 1 1 136 136 TYR CA C 225 61.060 61.060 61.203 -0.142 17780 619 1 1 . 1 1 136 136 TYR CB C 225 39.008 39.008 38.454 0.554 17780 620 1 1 . 1 1 136 136 TYR H H 225 8.215 8.215 7.740 0.475 17780 621 1 1 . 1 1 137 137 TYR N N 226 117.988 117.988 116.842 1.146 17780 622 1 1 . 1 1 137 137 TYR HA H 226 4.319 4.319 4.002 0.317 17780 623 1 1 . 1 1 137 137 TYR CA C 226 59.543 59.543 58.737 0.806 17780 624 1 1 . 1 1 137 137 TYR CB C 226 37.769 37.769 36.647 1.122 17780 625 1 1 . 1 1 137 137 TYR H H 226 8.022 8.022 8.402 -0.380 17780 626 1 1 . 1 1 138 138 GLN N N 227 118.911 118.911 118.878 0.033 17780 627 1 1 . 1 1 138 138 GLN HA H 227 4.189 4.189 4.056 0.133 17780 628 1 1 . 1 1 138 138 GLN CA C 227 57.002 57.002 57.820 -0.818 17780 629 1 1 . 1 1 138 138 GLN CB C 227 28.740 28.740 27.617 1.123 17780 630 1 1 . 1 1 138 138 GLN H H 227 7.838 7.838 7.662 0.176 17780 631 1 1 . 1 1 139 139 ARG N N 228 119.910 119.910 119.761 0.149 17780 632 1 1 . 1 1 139 139 ARG HA H 228 4.207 4.207 4.121 0.086 17780 633 1 1 . 1 1 139 139 ARG CA C 228 57.338 57.338 57.678 -0.340 17780 634 1 1 . 1 1 139 139 ARG CB C 228 30.390 30.390 29.783 0.607 17780 635 1 1 . 1 1 139 139 ARG H H 228 7.862 7.862 7.929 -0.067 17780 636 1 1 . 1 1 140 140 GLY N N 229 108.627 108.627 106.979 1.648 17780 637 1 1 . 1 1 140 140 GLY CA C 229 45.477 45.477 45.822 -0.345 17780 638 1 1 . 1 1 140 140 GLY H H 229 8.092 8.092 7.789 0.303 17780 639 1 1 . 1 1 141 141 SER N N 230 115.141 115.141 113.943 1.198 17780 640 1 1 . 1 1 141 141 SER HA H 230 4.330 4.330 4.690 -0.360 17780 641 1 1 . 1 1 141 141 SER CA C 230 58.650 58.650 58.233 0.417 17780 642 1 1 . 1 1 141 141 SER CB C 230 63.641 63.641 64.234 -0.592 17780 643 1 1 . 1 1 141 141 SER H H 230 8.050 8.050 7.709 0.341 17780 644 1 2 . 1 1 2 2 GLN N N 91 119.729 119.729 119.427 0.302 17780 645 1 2 . 1 1 2 2 GLN HA H 91 4.407 4.407 4.234 0.173 17780 646 1 2 . 1 1 2 2 GLN CA C 91 55.969 55.969 55.800 0.170 17780 647 1 2 . 1 1 2 2 GLN CB C 91 29.576 29.576 29.092 0.484 17780 648 1 2 . 1 1 2 2 GLN H H 91 8.267 8.267 8.610 -0.343 17780 649 1 2 . 1 1 3 3 GLY N N 92 110.081 110.081 108.315 1.766 17780 650 1 2 . 1 1 3 3 GLY CA C 92 45.115 45.115 44.637 0.478 17780 651 1 2 . 1 1 3 3 GLY H H 92 8.515 8.515 8.071 0.444 17780 652 1 2 . 1 1 4 4 GLY N N 93 108.748 108.748 107.486 1.262 17780 653 1 2 . 1 1 4 4 GLY CA C 93 45.228 45.228 44.380 0.848 17780 654 1 2 . 1 1 4 4 GLY H H 93 8.331 8.331 8.170 0.161 17780 655 1 2 . 1 1 5 5 GLY N N 94 108.857 108.857 107.480 1.377 17780 656 1 2 . 1 1 5 5 GLY CA C 94 45.172 45.172 45.728 -0.556 17780 657 1 2 . 1 1 5 5 GLY H H 94 8.362 8.362 9.223 -0.861 17780 658 1 2 . 1 1 6 6 THR N N 95 113.538 113.538 113.114 0.424 17780 659 1 2 . 1 1 6 6 THR HA H 95 4.282 4.282 4.506 -0.224 17780 660 1 2 . 1 1 6 6 THR CA C 95 61.906 61.906 61.529 0.377 17780 661 1 2 . 1 1 6 6 THR CB C 95 69.711 69.711 69.960 -0.249 17780 662 1 2 . 1 1 6 6 THR H H 95 8.129 8.129 8.361 -0.232 17780 663 1 2 . 1 1 7 7 HIS N N 96 121.027 121.027 119.115 1.912 17780 664 1 2 . 1 1 7 7 HIS HA H 96 4.713 4.713 4.942 -0.229 17780 665 1 2 . 1 1 7 7 HIS CA C 96 55.169 55.169 55.520 -0.351 17780 666 1 2 . 1 1 7 7 HIS CB C 96 29.575 29.575 30.567 -0.992 17780 667 1 2 . 1 1 7 7 HIS H H 96 8.497 8.497 8.437 0.060 17780 668 1 2 . 1 1 8 8 SER N N 97 117.031 117.031 116.320 0.711 17780 669 1 2 . 1 1 8 8 SER HA H 97 4.405 4.405 4.390 0.015 17780 670 1 2 . 1 1 8 8 SER CA C 97 58.379 58.379 57.923 0.456 17780 671 1 2 . 1 1 8 8 SER CB C 97 63.535 63.535 63.764 -0.229 17780 672 1 2 . 1 1 8 8 SER H H 97 8.275 8.275 8.538 -0.263 17780 673 1 2 . 1 1 9 9 GLN N N 98 122.084 122.084 121.569 0.515 17780 674 1 2 . 1 1 9 9 GLN HA H 98 4.279 4.279 4.764 -0.485 17780 675 1 2 . 1 1 9 9 GLN CA C 98 55.970 55.970 55.778 0.192 17780 676 1 2 . 1 1 9 9 GLN CB C 98 29.157 29.157 30.339 -1.182 17780 677 1 2 . 1 1 9 9 GLN H H 98 8.462 8.462 8.544 -0.082 17780 678 1 2 . 1 1 10 10 TRP N N 99 121.630 121.630 126.490 -4.860 17780 679 1 2 . 1 1 10 10 TRP HA H 99 4.676 4.676 5.444 -0.768 17780 680 1 2 . 1 1 10 10 TRP CA C 99 57.046 57.046 56.850 0.196 17780 681 1 2 . 1 1 10 10 TRP CB C 99 29.440 29.440 31.673 -2.233 17780 682 1 2 . 1 1 10 10 TRP H H 99 8.086 8.086 8.875 -0.789 17780 683 1 2 . 1 1 11 11 ASN N N 100 120.591 120.591 120.769 -0.178 17780 684 1 2 . 1 1 11 11 ASN HA H 100 4.602 4.602 4.491 0.111 17780 685 1 2 . 1 1 11 11 ASN CA C 100 52.675 52.675 51.697 0.978 17780 686 1 2 . 1 1 11 11 ASN CB C 100 38.781 38.781 40.931 -2.150 17780 687 1 2 . 1 1 11 11 ASN H H 100 8.095 8.095 7.508 0.587 17780 688 1 2 . 1 1 12 12 LYS N N 101 122.656 122.656 120.844 1.812 17780 689 1 2 . 1 1 12 12 LYS HA H 101 4.435 4.435 4.052 0.383 17780 690 1 2 . 1 1 12 12 LYS CA C 101 54.139 54.139 54.683 -0.544 17780 691 1 2 . 1 1 12 12 LYS CB C 101 32.474 32.474 32.586 -0.112 17780 692 1 2 . 1 1 12 12 LYS H H 101 7.985 7.985 8.339 -0.354 17780 693 1 2 . 1 1 13 13 PRO HA H 102 4.425 4.425 4.326 0.099 17780 694 1 2 . 1 1 13 13 PRO CA C 102 63.065 63.065 64.220 -1.155 17780 695 1 2 . 1 1 13 13 PRO CB C 102 32.056 32.056 32.190 -0.134 17780 696 1 2 . 1 1 14 14 SER N N 103 116.881 116.881 113.461 3.420 17780 697 1 2 . 1 1 14 14 SER HA H 103 4.430 4.430 4.679 -0.249 17780 698 1 2 . 1 1 14 14 SER CA C 103 57.973 57.973 57.490 0.483 17780 699 1 2 . 1 1 14 14 SER CB C 103 63.669 63.669 65.174 -1.505 17780 700 1 2 . 1 1 14 14 SER H H 103 8.420 8.420 7.541 0.879 17780 701 1 2 . 1 1 15 15 LYS N N 104 124.163 124.163 120.981 3.182 17780 702 1 2 . 1 1 15 15 LYS HA H 104 4.620 4.620 4.764 -0.144 17780 703 1 2 . 1 1 15 15 LYS CA C 104 54.160 54.160 53.813 0.347 17780 704 1 2 . 1 1 15 15 LYS CB C 104 32.606 32.606 32.982 -0.376 17780 705 1 2 . 1 1 15 15 LYS H H 104 8.321 8.321 8.473 -0.152 17780 706 1 2 . 1 1 16 16 PRO HA H 105 4.412 4.412 4.683 -0.271 17780 707 1 2 . 1 1 16 16 PRO CA C 105 63.012 63.012 62.589 0.423 17780 708 1 2 . 1 1 16 16 PRO CB C 105 32.152 32.152 32.502 -0.350 17780 709 1 2 . 1 1 17 17 LYS N N 106 122.072 122.072 119.566 2.506 17780 710 1 2 . 1 1 17 17 LYS HA H 106 4.338 4.338 4.592 -0.254 17780 711 1 2 . 1 1 17 17 LYS CA C 106 56.299 56.299 55.809 0.490 17780 712 1 2 . 1 1 17 17 LYS CB C 106 32.928 32.928 34.891 -1.963 17780 713 1 2 . 1 1 17 17 LYS H H 106 8.516 8.516 8.341 0.175 17780 714 1 2 . 1 1 18 18 THR N N 107 115.252 115.252 114.425 0.827 17780 715 1 2 . 1 1 18 18 THR HA H 107 4.323 4.323 4.572 -0.249 17780 716 1 2 . 1 1 18 18 THR CA C 107 61.523 61.523 61.705 -0.182 17780 717 1 2 . 1 1 18 18 THR CB C 107 69.778 69.778 69.321 0.457 17780 718 1 2 . 1 1 18 18 THR H H 107 8.133 8.133 8.365 -0.232 17780 719 1 2 . 1 1 19 19 ASN N N 108 121.344 121.344 124.449 -3.105 17780 720 1 2 . 1 1 19 19 ASN HA H 108 4.712 4.712 4.960 -0.248 17780 721 1 2 . 1 1 19 19 ASN CA C 108 53.019 53.019 53.035 -0.016 17780 722 1 2 . 1 1 19 19 ASN CB C 108 38.728 38.728 38.810 -0.082 17780 723 1 2 . 1 1 19 19 ASN H H 108 8.537 8.537 8.815 -0.278 17780 724 1 2 . 1 1 20 20 MET N N 109 121.309 121.309 119.102 2.207 17780 725 1 2 . 1 1 20 20 MET HA H 109 4.437 4.437 4.196 0.241 17780 726 1 2 . 1 1 20 20 MET CA C 109 55.446 55.446 55.162 0.284 17780 727 1 2 . 1 1 20 20 MET CB C 109 32.809 32.809 32.258 0.551 17780 728 1 2 . 1 1 20 20 MET H H 109 8.346 8.346 8.032 0.314 17780 729 1 2 . 1 1 21 21 LYS N N 110 122.292 122.292 120.346 1.946 17780 730 1 2 . 1 1 21 21 LYS HA H 110 4.237 4.237 4.179 0.058 17780 731 1 2 . 1 1 21 21 LYS CA C 110 56.394 56.394 56.549 -0.155 17780 732 1 2 . 1 1 21 21 LYS CB C 110 32.923 32.923 30.256 2.667 17780 733 1 2 . 1 1 21 21 LYS H H 110 8.300 8.300 8.402 -0.102 17780 734 1 2 . 1 1 22 22 HIS N N 111 120.193 120.193 121.051 -0.858 17780 735 1 2 . 1 1 22 22 HIS HA H 111 4.642 4.642 4.423 0.219 17780 736 1 2 . 1 1 22 22 HIS CA C 111 55.391 55.391 56.509 -1.118 17780 737 1 2 . 1 1 22 22 HIS CB C 111 29.501 29.501 30.252 -0.751 17780 738 1 2 . 1 1 22 22 HIS H H 111 8.406 8.406 7.982 0.424 17780 739 1 2 . 1 1 23 23 MET N N 112 122.529 122.529 116.768 5.761 17780 740 1 2 . 1 1 23 23 MET HA H 112 4.464 4.464 4.189 0.275 17780 741 1 2 . 1 1 23 23 MET CA C 112 55.125 55.125 55.458 -0.333 17780 742 1 2 . 1 1 23 23 MET CB C 112 32.930 32.930 29.928 3.002 17780 743 1 2 . 1 1 23 23 MET H H 112 8.326 8.326 8.205 0.121 17780 744 1 2 . 1 1 24 24 ALA N N 113 125.642 125.642 123.031 2.611 17780 745 1 2 . 1 1 24 24 ALA HA H 113 4.315 4.315 4.383 -0.068 17780 746 1 2 . 1 1 24 24 ALA CA C 113 52.521 52.521 52.598 -0.077 17780 747 1 2 . 1 1 24 24 ALA CB C 113 19.181 19.181 19.809 -0.628 17780 748 1 2 . 1 1 24 24 ALA H H 113 8.370 8.370 8.066 0.304 17780 749 1 2 . 1 1 25 25 GLY N N 114 108.473 108.473 107.620 0.853 17780 750 1 2 . 1 1 25 25 GLY CA C 114 45.175 45.175 45.735 -0.560 17780 751 1 2 . 1 1 25 25 GLY H H 114 8.373 8.373 8.407 -0.034 17780 752 1 2 . 1 1 26 26 ALA N N 115 123.872 123.872 121.176 2.696 17780 753 1 2 . 1 1 26 26 ALA HA H 115 4.316 4.316 4.692 -0.376 17780 754 1 2 . 1 1 26 26 ALA CA C 115 52.496 52.496 51.685 0.811 17780 755 1 2 . 1 1 26 26 ALA CB C 115 19.181 19.181 20.863 -1.682 17780 756 1 2 . 1 1 26 26 ALA H H 115 8.134 8.134 8.356 -0.222 17780 757 1 2 . 1 1 27 27 ALA N N 116 123.172 123.172 122.726 0.446 17780 758 1 2 . 1 1 27 27 ALA HA H 116 4.287 4.287 4.659 -0.372 17780 759 1 2 . 1 1 27 27 ALA CA C 116 52.464 52.464 52.526 -0.062 17780 760 1 2 . 1 1 27 27 ALA CB C 116 19.180 19.180 18.920 0.260 17780 761 1 2 . 1 1 27 27 ALA H H 116 8.268 8.268 8.368 -0.100 17780 762 1 2 . 1 1 28 28 ALA N N 117 123.253 123.253 124.340 -1.087 17780 763 1 2 . 1 1 28 28 ALA HA H 117 4.277 4.277 4.676 -0.399 17780 764 1 2 . 1 1 28 28 ALA CA C 117 52.383 52.383 51.784 0.599 17780 765 1 2 . 1 1 28 28 ALA CB C 117 19.156 19.156 21.010 -1.854 17780 766 1 2 . 1 1 28 28 ALA H H 117 8.169 8.169 8.168 0.001 17780 767 1 2 . 1 1 29 29 ALA N N 118 123.225 123.225 121.866 1.359 17780 768 1 2 . 1 1 29 29 ALA HA H 118 4.282 4.282 4.778 -0.496 17780 769 1 2 . 1 1 29 29 ALA CA C 118 52.469 52.469 52.004 0.465 17780 770 1 2 . 1 1 29 29 ALA CB C 118 19.129 19.129 20.534 -1.405 17780 771 1 2 . 1 1 29 29 ALA H H 118 8.204 8.204 8.493 -0.289 17780 772 1 2 . 1 1 30 30 GLY N N 119 107.906 107.906 113.211 -5.305 17780 773 1 2 . 1 1 30 30 GLY CA C 119 45.089 45.089 45.667 -0.578 17780 774 1 2 . 1 1 30 30 GLY H H 119 8.271 8.271 8.565 -0.294 17780 775 1 2 . 1 1 31 31 ALA N N 120 123.540 123.540 124.997 -1.457 17780 776 1 2 . 1 1 31 31 ALA HA H 120 4.339 4.339 4.460 -0.121 17780 777 1 2 . 1 1 31 31 ALA CA C 120 52.282 52.282 51.935 0.347 17780 778 1 2 . 1 1 31 31 ALA CB C 120 19.432 19.432 20.032 -0.600 17780 779 1 2 . 1 1 31 31 ALA H H 120 8.039 8.039 7.748 0.291 17780 780 1 2 . 1 1 32 32 VAL N N 121 119.579 119.579 112.689 6.890 17780 781 1 2 . 1 1 32 32 VAL HA H 121 4.117 4.117 3.786 0.331 17780 782 1 2 . 1 1 32 32 VAL CA C 121 62.142 62.142 63.229 -1.087 17780 783 1 2 . 1 1 32 32 VAL CB C 121 32.673 32.673 30.044 2.629 17780 784 1 2 . 1 1 32 32 VAL H H 121 8.109 8.109 8.686 -0.577 17780 785 1 2 . 1 1 33 33 VAL N N 122 124.655 124.655 120.941 3.714 17780 786 1 2 . 1 1 33 33 VAL HA H 122 4.081 4.081 3.770 0.311 17780 787 1 2 . 1 1 33 33 VAL CA C 122 62.430 62.430 64.155 -1.725 17780 788 1 2 . 1 1 33 33 VAL CB C 122 32.675 32.675 32.132 0.543 17780 789 1 2 . 1 1 33 33 VAL H H 122 8.262 8.262 7.202 1.060 17780 790 1 2 . 1 1 34 34 GLY N N 123 113.165 113.165 117.864 -4.699 17780 791 1 2 . 1 1 34 34 GLY CA C 123 45.264 45.264 46.362 -1.098 17780 792 1 2 . 1 1 34 34 GLY H H 123 8.528 8.528 9.335 -0.807 17780 793 1 2 . 1 1 35 35 GLY N N 124 108.440 108.440 108.263 0.177 17780 794 1 2 . 1 1 35 35 GLY CA C 124 45.264 45.264 45.214 0.050 17780 795 1 2 . 1 1 35 35 GLY H H 124 8.245 8.245 8.215 0.030 17780 796 1 2 . 1 1 36 36 LEU N N 125 121.679 121.679 118.814 2.865 17780 797 1 2 . 1 1 36 36 LEU HA H 125 4.340 4.340 4.753 -0.413 17780 798 1 2 . 1 1 36 36 LEU CA C 125 54.808 54.808 54.863 -0.055 17780 799 1 2 . 1 1 36 36 LEU CB C 125 42.417 42.417 43.673 -1.256 17780 800 1 2 . 1 1 36 36 LEU H H 125 8.233 8.233 7.544 0.689 17780 801 1 2 . 1 1 37 37 GLY N N 126 109.818 109.818 108.746 1.072 17780 802 1 2 . 1 1 37 37 GLY CA C 126 46.266 46.266 46.068 0.198 17780 803 1 2 . 1 1 37 37 GLY H H 126 8.511 8.511 8.804 -0.293 17780 804 1 2 . 1 1 38 38 GLY N N 127 109.485 109.485 107.807 1.678 17780 805 1 2 . 1 1 38 38 GLY CA C 127 45.029 45.029 44.744 0.285 17780 806 1 2 . 1 1 38 38 GLY H H 127 8.374 8.374 7.645 0.729 17780 807 1 2 . 1 1 39 39 TYR N N 128 117.683 117.683 120.678 -2.995 17780 808 1 2 . 1 1 39 39 TYR HA H 128 4.501 4.501 4.700 -0.199 17780 809 1 2 . 1 1 39 39 TYR CA C 128 58.050 58.050 58.523 -0.473 17780 810 1 2 . 1 1 39 39 TYR CB C 128 40.362 40.362 39.587 0.775 17780 811 1 2 . 1 1 39 39 TYR H H 128 7.746 7.746 7.947 -0.201 17780 812 1 2 . 1 1 40 40 MET N N 129 120.902 120.902 117.766 3.136 17780 813 1 2 . 1 1 40 40 MET HA H 129 4.534 4.534 4.465 0.069 17780 814 1 2 . 1 1 40 40 MET CA C 129 53.516 53.516 53.394 0.122 17780 815 1 2 . 1 1 40 40 MET CB C 129 34.851 34.851 36.962 -2.111 17780 816 1 2 . 1 1 40 40 MET H H 129 9.005 9.005 8.674 0.331 17780 817 1 2 . 1 1 41 41 LEU N N 130 121.514 121.514 114.586 6.928 17780 818 1 2 . 1 1 41 41 LEU HA H 130 4.464 4.464 5.158 -0.694 17780 819 1 2 . 1 1 41 41 LEU CA C 130 53.359 53.359 52.595 0.764 17780 820 1 2 . 1 1 41 41 LEU CB C 130 43.482 43.482 43.983 -0.501 17780 821 1 2 . 1 1 41 41 LEU H H 130 8.034 8.034 8.143 -0.108 17780 822 1 2 . 1 1 42 42 GLY N N 131 114.895 114.895 107.543 7.352 17780 823 1 2 . 1 1 42 42 GLY CA C 131 44.698 44.698 44.594 0.103 17780 824 1 2 . 1 1 42 42 GLY H H 131 9.375 9.375 8.397 0.978 17780 825 1 2 . 1 1 43 43 SER N N 132 113.692 113.692 117.636 -3.944 17780 826 1 2 . 1 1 43 43 SER HA H 132 4.429 4.429 4.339 0.090 17780 827 1 2 . 1 1 43 43 SER CA C 132 58.191 58.191 59.897 -1.706 17780 828 1 2 . 1 1 43 43 SER CB C 132 63.938 63.938 63.590 0.348 17780 829 1 2 . 1 1 43 43 SER H H 132 8.345 8.345 8.277 0.068 17780 830 1 2 . 1 1 44 44 ALA N N 133 125.505 125.505 122.234 3.271 17780 831 1 2 . 1 1 44 44 ALA HA H 133 4.437 4.437 4.845 -0.408 17780 832 1 2 . 1 1 44 44 ALA CA C 133 52.936 52.936 51.850 1.086 17780 833 1 2 . 1 1 44 44 ALA CB C 133 18.412 18.412 21.460 -3.048 17780 834 1 2 . 1 1 44 44 ALA H H 133 8.735 8.735 8.077 0.658 17780 835 1 2 . 1 1 45 45 MET N N 134 120.707 120.707 120.014 0.693 17780 836 1 2 . 1 1 45 45 MET HA H 134 4.756 4.756 4.997 -0.241 17780 837 1 2 . 1 1 45 45 MET CA C 134 54.242 54.242 54.387 -0.145 17780 838 1 2 . 1 1 45 45 MET CB C 134 36.727 36.727 35.245 1.482 17780 839 1 2 . 1 1 45 45 MET H H 134 8.686 8.686 8.398 0.288 17780 840 1 2 . 1 1 46 46 SER N N 135 116.235 116.235 116.877 -0.642 17780 841 1 2 . 1 1 46 46 SER HA H 135 4.375 4.375 4.553 -0.178 17780 842 1 2 . 1 1 46 46 SER CA C 135 58.410 58.410 58.211 0.199 17780 843 1 2 . 1 1 46 46 SER CB C 135 63.016 63.016 63.985 -0.969 17780 844 1 2 . 1 1 46 46 SER H H 135 8.397 8.397 8.332 0.065 17780 845 1 2 . 1 1 47 47 ARG N N 136 126.632 126.632 124.910 1.722 17780 846 1 2 . 1 1 47 47 ARG HA H 136 4.406 4.406 4.510 -0.104 17780 847 1 2 . 1 1 47 47 ARG CA C 136 54.783 54.783 54.385 0.398 17780 848 1 2 . 1 1 47 47 ARG CB C 136 29.040 29.040 30.244 -1.204 17780 849 1 2 . 1 1 47 47 ARG H H 136 8.668 8.668 8.683 -0.015 17780 850 1 2 . 1 1 48 48 PRO HA H 137 4.422 4.422 4.548 -0.126 17780 851 1 2 . 1 1 48 48 PRO CA C 137 62.327 62.327 62.140 0.187 17780 852 1 2 . 1 1 48 48 PRO CB C 137 32.269 32.269 32.480 -0.211 17780 853 1 2 . 1 1 49 49 ILE N N 138 122.521 122.521 120.956 1.565 17780 854 1 2 . 1 1 49 49 ILE HA H 138 4.148 4.148 4.009 0.139 17780 855 1 2 . 1 1 49 49 ILE CA C 138 60.916 60.916 60.597 0.319 17780 856 1 2 . 1 1 49 49 ILE CB C 138 36.234 36.234 38.931 -2.697 17780 857 1 2 . 1 1 49 49 ILE H H 138 8.603 8.603 8.039 0.564 17780 858 1 2 . 1 1 50 50 ILE N N 139 126.683 126.683 125.791 0.892 17780 859 1 2 . 1 1 50 50 ILE HA H 139 3.927 3.927 3.722 0.205 17780 860 1 2 . 1 1 50 50 ILE CA C 139 58.700 58.700 58.649 0.051 17780 861 1 2 . 1 1 50 50 ILE CB C 139 39.345 39.345 40.674 -1.329 17780 862 1 2 . 1 1 50 50 ILE H H 139 6.514 6.514 7.991 -1.477 17780 863 1 2 . 1 1 51 51 HIS N N 140 121.997 121.997 122.215 -0.218 17780 864 1 2 . 1 1 51 51 HIS HA H 140 4.918 4.918 4.727 0.191 17780 865 1 2 . 1 1 51 51 HIS CA C 140 54.065 54.065 54.462 -0.397 17780 866 1 2 . 1 1 51 51 HIS CB C 140 29.466 29.466 27.581 1.885 17780 867 1 2 . 1 1 51 51 HIS H H 140 8.203 8.203 7.344 0.859 17780 868 1 2 . 1 1 52 52 PHE N N 141 124.334 124.334 124.835 -0.501 17780 869 1 2 . 1 1 52 52 PHE HA H 141 4.348 4.348 4.460 -0.112 17780 870 1 2 . 1 1 52 52 PHE CA C 141 59.251 59.251 59.284 -0.033 17780 871 1 2 . 1 1 52 52 PHE CB C 141 41.448 41.448 40.192 1.256 17780 872 1 2 . 1 1 52 52 PHE H H 141 10.160 10.160 9.202 0.958 17780 873 1 2 . 1 1 53 53 GLY N N 142 108.368 108.368 104.693 3.675 17780 874 1 2 . 1 1 53 53 GLY CA C 142 45.516 45.516 46.057 -0.541 17780 875 1 2 . 1 1 53 53 GLY H H 142 8.984 8.984 7.838 1.146 17780 876 1 2 . 1 1 54 54 SER N N 143 111.819 111.819 115.241 -3.422 17780 877 1 2 . 1 1 54 54 SER HA H 143 4.810 4.810 4.615 0.195 17780 878 1 2 . 1 1 54 54 SER CA C 143 56.498 56.498 57.068 -0.570 17780 879 1 2 . 1 1 54 54 SER CB C 143 65.964 65.964 64.364 1.600 17780 880 1 2 . 1 1 54 54 SER H H 143 7.334 7.334 7.493 -0.159 17780 881 1 2 . 1 1 55 55 ASP N N 144 124.249 124.249 122.864 1.385 17780 882 1 2 . 1 1 55 55 ASP HA H 144 4.500 4.500 4.422 0.078 17780 883 1 2 . 1 1 55 55 ASP CA C 144 57.493 57.493 57.866 -0.373 17780 884 1 2 . 1 1 55 55 ASP CB C 144 40.664 40.664 40.703 -0.039 17780 885 1 2 . 1 1 55 55 ASP H H 144 9.014 9.014 8.689 0.325 17780 886 1 2 . 1 1 56 56 TYR N N 145 118.991 118.991 115.447 3.544 17780 887 1 2 . 1 1 56 56 TYR HA H 145 4.196 4.196 4.510 -0.314 17780 888 1 2 . 1 1 56 56 TYR CA C 145 61.351 61.351 59.957 1.394 17780 889 1 2 . 1 1 56 56 TYR CB C 145 38.075 38.075 37.447 0.628 17780 890 1 2 . 1 1 56 56 TYR H H 145 8.551 8.551 7.611 0.940 17780 891 1 2 . 1 1 57 57 GLU N N 146 119.217 119.217 120.689 -1.472 17780 892 1 2 . 1 1 57 57 GLU HA H 146 3.563 3.563 4.459 -0.896 17780 893 1 2 . 1 1 57 57 GLU CA C 146 59.921 59.921 59.441 0.479 17780 894 1 2 . 1 1 57 57 GLU CB C 146 30.297 30.297 29.605 0.692 17780 895 1 2 . 1 1 57 57 GLU H H 146 7.741 7.741 7.512 0.229 17780 896 1 2 . 1 1 58 58 ASP N N 147 119.565 119.565 119.526 0.039 17780 897 1 2 . 1 1 58 58 ASP HA H 147 4.498 4.498 4.785 -0.287 17780 898 1 2 . 1 1 58 58 ASP CA C 147 58.185 58.185 57.152 1.033 17780 899 1 2 . 1 1 58 58 ASP CB C 147 40.598 40.598 40.673 -0.075 17780 900 1 2 . 1 1 58 58 ASP H H 147 8.139 8.139 8.624 -0.485 17780 901 1 2 . 1 1 59 59 ARG N N 148 120.296 120.296 118.625 1.671 17780 902 1 2 . 1 1 59 59 ARG HA H 148 4.004 4.004 4.179 -0.175 17780 903 1 2 . 1 1 59 59 ARG CA C 148 59.393 59.393 58.763 0.630 17780 904 1 2 . 1 1 59 59 ARG CB C 148 29.910 29.910 29.993 -0.083 17780 905 1 2 . 1 1 59 59 ARG H H 148 8.181 8.181 7.698 0.483 17780 906 1 2 . 1 1 60 60 TYR N N 149 121.152 121.152 122.025 -0.873 17780 907 1 2 . 1 1 60 60 TYR HA H 149 3.819 3.819 4.194 -0.375 17780 908 1 2 . 1 1 60 60 TYR CA C 149 62.195 62.195 60.161 2.034 17780 909 1 2 . 1 1 60 60 TYR CB C 149 37.808 37.808 38.152 -0.344 17780 910 1 2 . 1 1 60 60 TYR H H 149 8.333 8.333 7.675 0.658 17780 911 1 2 . 1 1 61 61 TYR N N 150 120.365 120.365 120.246 0.119 17780 912 1 2 . 1 1 61 61 TYR HA H 150 4.122 4.122 3.393 0.729 17780 913 1 2 . 1 1 61 61 TYR CA C 150 62.969 62.969 60.760 2.209 17780 914 1 2 . 1 1 61 61 TYR CB C 150 38.207 38.207 37.863 0.344 17780 915 1 2 . 1 1 61 61 TYR H H 150 8.942 8.942 8.385 0.557 17780 916 1 2 . 1 1 62 62 ARG N N 151 117.982 117.982 116.819 1.163 17780 917 1 2 . 1 1 62 62 ARG HA H 151 3.938 3.938 3.425 0.513 17780 918 1 2 . 1 1 62 62 ARG CA C 151 59.940 59.940 58.508 1.432 17780 919 1 2 . 1 1 62 62 ARG CB C 151 29.731 29.731 29.717 0.014 17780 920 1 2 . 1 1 62 62 ARG H H 151 7.938 7.938 7.400 0.538 17780 921 1 2 . 1 1 63 63 GLU N N 152 116.389 116.389 117.702 -1.313 17780 922 1 2 . 1 1 63 63 GLU HA H 152 4.059 4.059 4.023 0.036 17780 923 1 2 . 1 1 63 63 GLU CA C 152 57.990 57.990 58.684 -0.694 17780 924 1 2 . 1 1 63 63 GLU CB C 152 29.915 29.915 29.238 0.677 17780 925 1 2 . 1 1 63 63 GLU H H 152 8.068 8.068 7.757 0.311 17780 926 1 2 . 1 1 64 64 ASN N N 153 114.690 114.690 115.986 -1.296 17780 927 1 2 . 1 1 64 64 ASN HA H 153 4.406 4.406 4.459 -0.053 17780 928 1 2 . 1 1 64 64 ASN CA C 153 54.814 54.814 53.310 1.504 17780 929 1 2 . 1 1 64 64 ASN CB C 153 41.178 41.178 38.326 2.852 17780 930 1 2 . 1 1 64 64 ASN H H 153 7.525 7.525 7.415 0.110 17780 931 1 2 . 1 1 65 65 MET N N 154 119.058 119.058 122.205 -3.147 17780 932 1 2 . 1 1 65 65 MET HA H 154 3.417 3.417 3.550 -0.133 17780 933 1 2 . 1 1 65 65 MET CA C 154 59.193 59.193 58.380 0.813 17780 934 1 2 . 1 1 65 65 MET CB C 154 30.258 30.258 31.623 -1.365 17780 935 1 2 . 1 1 65 65 MET H H 154 7.993 7.993 7.202 0.791 17780 936 1 2 . 1 1 66 66 HIS N N 155 116.083 116.083 117.178 -1.095 17780 937 1 2 . 1 1 66 66 HIS HA H 155 4.208 4.208 4.241 -0.033 17780 938 1 2 . 1 1 66 66 HIS CA C 155 57.382 57.382 57.711 -0.329 17780 939 1 2 . 1 1 66 66 HIS CB C 155 28.955 28.955 29.866 -0.911 17780 940 1 2 . 1 1 66 66 HIS H H 155 7.988 7.988 7.719 0.269 17780 941 1 2 . 1 1 67 67 ARG N N 156 118.993 118.993 116.206 2.787 17780 942 1 2 . 1 1 67 67 ARG HA H 156 4.133 4.133 4.380 -0.247 17780 943 1 2 . 1 1 67 67 ARG CA C 156 56.135 56.135 56.421 -0.286 17780 944 1 2 . 1 1 67 67 ARG CB C 156 30.521 30.521 30.878 -0.357 17780 945 1 2 . 1 1 67 67 ARG H H 156 7.488 7.488 7.494 -0.006 17780 946 1 2 . 1 1 68 68 TYR N N 157 121.321 121.321 118.393 2.928 17780 947 1 2 . 1 1 68 68 TYR HA H 157 4.991 4.991 4.681 0.310 17780 948 1 2 . 1 1 68 68 TYR CA C 157 52.644 52.644 53.535 -0.891 17780 949 1 2 . 1 1 68 68 TYR CB C 157 34.873 34.873 37.702 -2.829 17780 950 1 2 . 1 1 68 68 TYR H H 157 7.433 7.433 7.336 0.097 17780 951 1 2 . 1 1 69 69 PRO HA H 158 4.338 4.338 4.473 -0.135 17780 952 1 2 . 1 1 69 69 PRO CA C 158 63.651 63.651 62.654 0.997 17780 953 1 2 . 1 1 69 69 PRO CB C 158 32.005 32.005 33.105 -1.100 17780 954 1 2 . 1 1 70 70 ASN N N 159 116.696 116.696 118.871 -2.175 17780 955 1 2 . 1 1 70 70 ASN HA H 159 4.690 4.690 4.599 0.091 17780 956 1 2 . 1 1 70 70 ASN CA C 159 51.997 51.997 54.189 -2.192 17780 957 1 2 . 1 1 70 70 ASN CB C 159 38.375 38.375 39.202 -0.827 17780 958 1 2 . 1 1 70 70 ASN H H 159 8.673 8.673 8.749 -0.076 17780 959 1 2 . 1 1 71 71 GLN N N 160 114.313 114.313 116.660 -2.347 17780 960 1 2 . 1 1 71 71 GLN HA H 160 4.523 4.523 4.684 -0.161 17780 961 1 2 . 1 1 71 71 GLN CA C 160 54.286 54.286 54.280 0.006 17780 962 1 2 . 1 1 71 71 GLN CB C 160 32.975 32.975 32.480 0.495 17780 963 1 2 . 1 1 71 71 GLN H H 160 7.319 7.319 7.656 -0.337 17780 964 1 2 . 1 1 72 72 VAL N N 161 112.569 112.569 114.720 -2.151 17780 965 1 2 . 1 1 72 72 VAL HA H 161 4.927 4.927 4.525 0.402 17780 966 1 2 . 1 1 72 72 VAL CA C 161 58.651 58.651 60.161 -1.510 17780 967 1 2 . 1 1 72 72 VAL CB C 161 33.812 33.812 33.825 -0.013 17780 968 1 2 . 1 1 72 72 VAL H H 161 8.477 8.477 8.261 0.216 17780 969 1 2 . 1 1 73 73 TYR N N 162 121.525 121.525 124.305 -2.780 17780 970 1 2 . 1 1 73 73 TYR HA H 162 5.507 5.507 5.456 0.051 17780 971 1 2 . 1 1 73 73 TYR CA C 162 57.133 57.133 56.209 0.923 17780 972 1 2 . 1 1 73 73 TYR CB C 162 41.970 41.970 41.458 0.512 17780 973 1 2 . 1 1 73 73 TYR H H 162 8.490 8.490 8.793 -0.303 17780 974 1 2 . 1 1 74 74 TYR N N 163 111.081 111.081 120.094 -9.013 17780 975 1 2 . 1 1 74 74 TYR HA H 163 4.758 4.758 5.250 -0.492 17780 976 1 2 . 1 1 74 74 TYR CA C 163 55.367 55.367 56.823 -1.456 17780 977 1 2 . 1 1 74 74 TYR CB C 163 40.401 40.401 39.860 0.541 17780 978 1 2 . 1 1 74 74 TYR H H 163 8.593 8.593 8.651 -0.058 17780 979 1 2 . 1 1 76 76 PRO HA H 165 4.490 4.490 4.342 0.148 17780 980 1 2 . 1 1 76 76 PRO CA C 165 62.967 62.967 62.929 0.038 17780 981 1 2 . 1 1 76 76 PRO CB C 165 32.372 32.372 32.985 -0.613 17780 982 1 2 . 1 1 77 77 MET N N 166 121.408 121.408 117.771 3.637 17780 983 1 2 . 1 1 77 77 MET HA H 166 4.438 4.438 4.007 0.431 17780 984 1 2 . 1 1 77 77 MET CA C 166 57.081 57.081 55.381 1.700 17780 985 1 2 . 1 1 77 77 MET CB C 166 32.165 32.165 30.527 1.638 17780 986 1 2 . 1 1 77 77 MET H H 166 9.013 9.013 8.171 0.842 17780 987 1 2 . 1 1 78 78 ASP N N 167 119.933 119.933 117.746 2.187 17780 988 1 2 . 1 1 78 78 ASP HA H 167 4.754 4.754 4.619 0.135 17780 989 1 2 . 1 1 78 78 ASP CA C 167 52.485 52.485 52.887 -0.402 17780 990 1 2 . 1 1 78 78 ASP CB C 167 38.802 38.802 43.033 -4.231 17780 991 1 2 . 1 1 78 78 ASP H H 167 8.176 8.176 7.525 0.651 17780 992 1 2 . 1 1 79 79 GLU N N 168 116.934 116.934 124.520 -7.586 17780 993 1 2 . 1 1 79 79 GLU HA H 168 4.308 4.308 3.776 0.532 17780 994 1 2 . 1 1 79 79 GLU CA C 168 58.638 58.638 58.340 0.298 17780 995 1 2 . 1 1 79 79 GLU CB C 168 29.185 29.185 28.590 0.595 17780 996 1 2 . 1 1 79 79 GLU H H 168 8.332 8.332 8.839 -0.507 17780 997 1 2 . 1 1 81 81 SER N N 170 116.603 116.603 116.797 -0.194 17780 998 1 2 . 1 1 81 81 SER HA H 170 4.374 4.374 4.566 -0.192 17780 999 1 2 . 1 1 81 81 SER CA C 170 58.475 58.475 57.792 0.683 17780 1000 1 2 . 1 1 81 81 SER CB C 170 63.677 63.677 61.463 2.214 17780 1001 1 2 . 1 1 81 81 SER H H 170 8.560 8.560 8.158 0.402 17780 1002 1 2 . 1 1 83 83 GLN N N 172 120.404 120.404 118.747 1.657 17780 1003 1 2 . 1 1 83 83 GLN HA H 172 4.750 4.750 4.282 0.468 17780 1004 1 2 . 1 1 83 83 GLN CA C 172 59.899 59.899 56.067 3.832 17780 1005 1 2 . 1 1 83 83 GLN CB C 172 29.023 29.023 28.561 0.462 17780 1006 1 2 . 1 1 83 83 GLN H H 172 8.635 8.635 7.706 0.929 17780 1007 1 2 . 1 1 84 84 ASN N N 173 116.470 116.470 122.083 -5.613 17780 1008 1 2 . 1 1 84 84 ASN HA H 173 4.237 4.237 4.116 0.121 17780 1009 1 2 . 1 1 84 84 ASN CA C 173 56.470 56.470 56.210 0.260 17780 1010 1 2 . 1 1 84 84 ASN CB C 173 37.812 37.812 38.338 -0.526 17780 1011 1 2 . 1 1 84 84 ASN H H 173 8.352 8.352 9.058 -0.706 17780 1012 1 2 . 1 1 85 85 ASN N N 174 118.500 118.500 118.463 0.037 17780 1013 1 2 . 1 1 85 85 ASN HA H 174 4.534 4.534 4.587 -0.053 17780 1014 1 2 . 1 1 85 85 ASN CA C 174 55.905 55.905 55.110 0.795 17780 1015 1 2 . 1 1 85 85 ASN CB C 174 37.760 37.760 37.860 -0.100 17780 1016 1 2 . 1 1 85 85 ASN H H 174 8.602 8.602 8.428 0.174 17780 1017 1 2 . 1 1 86 86 PHE CB C 175 39.641 39.641 38.233 1.408 17780 1018 1 2 . 1 1 87 87 VAL N N 176 120.134 120.134 121.244 -1.110 17780 1019 1 2 . 1 1 87 87 VAL HA H 176 3.564 3.564 2.698 0.866 17780 1020 1 2 . 1 1 87 87 VAL CA C 176 67.737 67.737 66.123 1.614 17780 1021 1 2 . 1 1 87 87 VAL CB C 176 31.951 31.951 30.535 1.416 17780 1022 1 2 . 1 1 87 87 VAL H H 176 9.002 9.002 7.211 1.791 17780 1023 1 2 . 1 1 88 88 HIS N N 177 117.217 117.217 118.056 -0.839 17780 1024 1 2 . 1 1 88 88 HIS HA H 177 4.304 4.304 4.213 0.091 17780 1025 1 2 . 1 1 88 88 HIS CA C 177 59.781 59.781 60.239 -0.458 17780 1026 1 2 . 1 1 88 88 HIS CB C 177 28.264 28.264 29.736 -1.472 17780 1027 1 2 . 1 1 88 88 HIS H H 177 8.330 8.330 7.802 0.528 17780 1028 1 2 . 1 1 89 89 ASP N N 178 118.497 118.497 119.831 -1.334 17780 1029 1 2 . 1 1 89 89 ASP HA H 178 4.500 4.500 4.600 -0.100 17780 1030 1 2 . 1 1 89 89 ASP CA C 178 57.423 57.423 56.528 0.895 17780 1031 1 2 . 1 1 89 89 ASP CB C 178 41.792 41.792 41.117 0.675 17780 1032 1 2 . 1 1 89 89 ASP H H 178 7.696 7.696 7.871 -0.175 17780 1033 1 2 . 1 1 90 90 CYS N N 179 119.012 119.012 120.636 -1.624 17780 1034 1 2 . 1 1 90 90 CYS HA H 179 4.753 4.753 4.362 0.391 17780 1035 1 2 . 1 1 90 90 CYS CA C 179 58.466 58.466 62.146 -3.680 17780 1036 1 2 . 1 1 90 90 CYS CB C 179 40.758 40.758 25.771 14.987 17780 1037 1 2 . 1 1 90 90 CYS H H 179 8.037 8.037 7.927 0.110 17780 1038 1 2 . 1 1 91 91 VAL N N 180 125.063 125.063 120.987 4.076 17780 1039 1 2 . 1 1 91 91 VAL HA H 180 3.667 3.667 3.633 0.034 17780 1040 1 2 . 1 1 91 91 VAL CA C 180 66.293 66.293 66.197 0.096 17780 1041 1 2 . 1 1 91 91 VAL CB C 180 32.028 32.028 31.265 0.763 17780 1042 1 2 . 1 1 91 91 VAL H H 180 9.212 9.212 8.558 0.654 17780 1043 1 2 . 1 1 92 92 ASN N N 181 116.153 116.153 119.185 -3.032 17780 1044 1 2 . 1 1 92 92 ASN HA H 181 4.311 4.311 4.415 -0.104 17780 1045 1 2 . 1 1 92 92 ASN CA C 181 56.622 56.622 56.355 0.267 17780 1046 1 2 . 1 1 92 92 ASN CB C 181 38.749 38.749 38.213 0.536 17780 1047 1 2 . 1 1 92 92 ASN H H 181 7.626 7.626 7.635 -0.009 17780 1048 1 2 . 1 1 93 93 ILE N N 182 118.637 118.637 119.619 -0.982 17780 1049 1 2 . 1 1 93 93 ILE HA H 182 3.787 3.787 3.787 0.000 17780 1050 1 2 . 1 1 93 93 ILE CA C 182 62.078 62.078 63.827 -1.749 17780 1051 1 2 . 1 1 93 93 ILE CB C 182 36.535 36.535 36.466 0.069 17780 1052 1 2 . 1 1 93 93 ILE H H 182 8.610 8.610 8.646 -0.036 17780 1053 1 2 . 1 1 94 94 THR N N 183 118.229 118.229 117.919 0.310 17780 1054 1 2 . 1 1 94 94 THR HA H 183 4.097 4.097 4.086 0.011 17780 1055 1 2 . 1 1 94 94 THR CA C 183 68.834 68.834 67.541 1.293 17780 1056 1 2 . 1 1 94 94 THR CB C 183 68.258 68.258 68.511 -0.253 17780 1057 1 2 . 1 1 94 94 THR H H 183 8.140 8.140 8.179 -0.039 17780 1058 1 2 . 1 1 95 95 ILE N N 184 120.906 120.906 122.021 -1.115 17780 1059 1 2 . 1 1 95 95 ILE HA H 184 3.666 3.666 3.803 -0.137 17780 1060 1 2 . 1 1 95 95 ILE CA C 184 66.259 66.259 64.427 1.832 17780 1061 1 2 . 1 1 95 95 ILE CB C 184 36.824 36.824 37.816 -0.992 17780 1062 1 2 . 1 1 95 95 ILE H H 184 8.450 8.450 8.027 0.423 17780 1063 1 2 . 1 1 96 96 LYS N N 185 123.208 123.208 121.119 2.089 17780 1064 1 2 . 1 1 96 96 LYS HA H 185 4.067 4.067 3.813 0.254 17780 1065 1 2 . 1 1 96 96 LYS CA C 185 59.987 59.987 60.188 -0.201 17780 1066 1 2 . 1 1 96 96 LYS CB C 185 32.119 32.119 32.149 -0.030 17780 1067 1 2 . 1 1 96 96 LYS H H 185 8.067 8.067 8.432 -0.365 17780 1068 1 2 . 1 1 97 97 GLN N N 186 116.879 116.879 118.047 -1.168 17780 1069 1 2 . 1 1 97 97 GLN HA H 186 4.059 4.059 3.962 0.097 17780 1070 1 2 . 1 1 97 97 GLN CA C 186 58.010 58.010 58.772 -0.762 17780 1071 1 2 . 1 1 97 97 GLN CB C 186 27.982 27.982 28.143 -0.161 17780 1072 1 2 . 1 1 97 97 GLN H H 186 8.493 8.493 8.288 0.205 17780 1073 1 2 . 1 1 98 98 HIS N N 187 119.676 119.676 121.712 -2.036 17780 1074 1 2 . 1 1 98 98 HIS HA H 187 4.579 4.579 4.407 0.172 17780 1075 1 2 . 1 1 98 98 HIS CA C 187 59.465 59.465 59.372 0.093 17780 1076 1 2 . 1 1 98 98 HIS CB C 187 31.628 31.628 29.757 1.871 17780 1077 1 2 . 1 1 98 98 HIS H H 187 8.435 8.435 7.803 0.632 17780 1078 1 2 . 1 1 99 99 THR N N 188 114.500 114.500 114.671 -0.171 17780 1079 1 2 . 1 1 99 99 THR HA H 188 4.090 4.090 3.731 0.359 17780 1080 1 2 . 1 1 99 99 THR CA C 188 66.210 66.210 65.557 0.653 17780 1081 1 2 . 1 1 99 99 THR CB C 188 68.800 68.800 68.237 0.563 17780 1082 1 2 . 1 1 99 99 THR H H 188 8.440 8.440 8.376 0.064 17780 1083 1 2 . 1 1 100 100 VAL N N 189 122.934 122.934 121.226 1.708 17780 1084 1 2 . 1 1 100 100 VAL HA H 189 3.838 3.838 3.966 -0.128 17780 1085 1 2 . 1 1 100 100 VAL CA C 189 65.832 65.832 65.561 0.272 17780 1086 1 2 . 1 1 100 100 VAL CB C 189 31.897 31.897 31.405 0.492 17780 1087 1 2 . 1 1 100 100 VAL H H 189 8.057 8.057 8.017 0.040 17780 1088 1 2 . 1 1 101 101 THR N N 190 115.101 115.101 114.127 0.974 17780 1089 1 2 . 1 1 101 101 THR HA H 190 4.140 4.140 4.095 0.045 17780 1090 1 2 . 1 1 101 101 THR CA C 190 64.907 64.907 66.442 -1.535 17780 1091 1 2 . 1 1 101 101 THR CB C 190 69.041 69.041 68.067 0.974 17780 1092 1 2 . 1 1 101 101 THR H H 190 8.131 8.131 7.691 0.440 17780 1093 1 2 . 1 1 102 102 THR N N 191 114.546 114.546 119.494 -4.948 17780 1094 1 2 . 1 1 102 102 THR HA H 191 4.092 4.092 3.867 0.225 17780 1095 1 2 . 1 1 102 102 THR CA C 191 64.801 64.801 67.975 -3.174 17780 1096 1 2 . 1 1 102 102 THR CB C 191 69.145 69.145 68.275 0.870 17780 1097 1 2 . 1 1 102 102 THR H H 191 8.011 8.011 8.147 -0.136 17780 1098 1 2 . 1 1 103 103 THR N N 192 117.876 117.876 113.197 4.679 17780 1099 1 2 . 1 1 103 103 THR HA H 192 4.373 4.373 4.715 -0.342 17780 1100 1 2 . 1 1 103 103 THR CA C 192 64.935 64.935 64.772 0.163 17780 1101 1 2 . 1 1 103 103 THR CB C 192 69.043 69.043 68.686 0.357 17780 1102 1 2 . 1 1 103 103 THR H H 192 8.224 8.224 7.607 0.617 17780 1103 1 2 . 1 1 104 104 THR N N 193 116.232 116.232 118.703 -2.471 17780 1104 1 2 . 1 1 104 104 THR HA H 193 4.204 4.204 4.129 0.075 17780 1105 1 2 . 1 1 104 104 THR CA C 193 64.311 64.311 65.856 -1.545 17780 1106 1 2 . 1 1 104 104 THR CB C 193 68.981 68.981 68.702 0.279 17780 1107 1 2 . 1 1 104 104 THR H H 193 7.805 7.805 7.762 0.043 17780 1108 1 2 . 1 1 105 105 LYS N N 194 119.843 119.843 118.748 1.095 17780 1109 1 2 . 1 1 105 105 LYS HA H 194 4.384 4.384 4.417 -0.033 17780 1110 1 2 . 1 1 105 105 LYS CA C 194 56.220 56.220 55.306 0.914 17780 1111 1 2 . 1 1 105 105 LYS CB C 194 32.527 32.527 32.484 0.043 17780 1112 1 2 . 1 1 105 105 LYS H H 194 7.504 7.504 7.756 -0.252 17780 1113 1 2 . 1 1 106 106 GLY N N 195 107.946 107.946 107.864 0.082 17780 1114 1 2 . 1 1 106 106 GLY CA C 195 45.431 45.431 45.240 0.191 17780 1115 1 2 . 1 1 106 106 GLY H H 195 7.924 7.924 7.604 0.320 17780 1116 1 2 . 1 1 107 107 GLU N N 196 120.063 120.063 120.040 0.023 17780 1117 1 2 . 1 1 107 107 GLU HA H 196 4.255 4.255 4.686 -0.431 17780 1118 1 2 . 1 1 107 107 GLU CA C 196 55.597 55.597 54.572 1.025 17780 1119 1 2 . 1 1 107 107 GLU CB C 196 31.073 31.073 32.760 -1.687 17780 1120 1 2 . 1 1 107 107 GLU H H 196 7.465 7.465 8.382 -0.917 17780 1121 1 2 . 1 1 108 108 ASN N N 197 119.350 119.350 118.475 0.875 17780 1122 1 2 . 1 1 108 108 ASN HA H 197 4.657 4.657 5.062 -0.405 17780 1123 1 2 . 1 1 108 108 ASN CA C 197 52.673 52.673 53.275 -0.602 17780 1124 1 2 . 1 1 108 108 ASN CB C 197 40.827 40.827 40.087 0.740 17780 1125 1 2 . 1 1 108 108 ASN H H 197 8.458 8.458 8.546 -0.088 17780 1126 1 2 . 1 1 109 109 PHE N N 198 121.688 121.688 120.063 1.625 17780 1127 1 2 . 1 1 109 109 PHE HA H 198 5.317 5.317 4.851 0.466 17780 1128 1 2 . 1 1 109 109 PHE CA C 198 56.571 56.571 56.737 -0.166 17780 1129 1 2 . 1 1 109 109 PHE CB C 198 40.093 40.093 42.651 -2.558 17780 1130 1 2 . 1 1 109 109 PHE H H 198 8.709 8.709 8.573 0.136 17780 1131 1 2 . 1 1 110 110 THR N N 199 115.904 115.904 115.409 0.495 17780 1132 1 2 . 1 1 110 110 THR HA H 199 4.624 4.624 4.561 0.063 17780 1133 1 2 . 1 1 110 110 THR CA C 199 60.343 60.343 61.074 -0.731 17780 1134 1 2 . 1 1 110 110 THR CB C 199 72.033 72.033 70.436 1.597 17780 1135 1 2 . 1 1 110 110 THR H H 199 9.547 9.547 8.851 0.696 17780 1136 1 2 . 1 1 111 111 GLU N N 200 119.988 119.988 120.765 -0.777 17780 1137 1 2 . 1 1 111 111 GLU HA H 200 4.067 4.067 3.969 0.098 17780 1138 1 2 . 1 1 111 111 GLU CA C 200 60.027 60.027 59.897 0.130 17780 1139 1 2 . 1 1 111 111 GLU CB C 200 28.976 28.976 28.635 0.341 17780 1140 1 2 . 1 1 111 111 GLU H H 200 9.132 9.132 8.925 0.207 17780 1141 1 2 . 1 1 112 112 THR N N 201 116.221 116.221 116.140 0.081 17780 1142 1 2 . 1 1 112 112 THR HA H 201 3.796 3.796 4.123 -0.327 17780 1143 1 2 . 1 1 112 112 THR CA C 201 66.781 66.781 66.344 0.437 17780 1144 1 2 . 1 1 112 112 THR CB C 201 68.581 68.581 68.141 0.440 17780 1145 1 2 . 1 1 112 112 THR H H 201 7.934 7.934 8.204 -0.270 17780 1146 1 2 . 1 1 113 113 ASP N N 202 120.001 120.001 123.045 -3.044 17780 1147 1 2 . 1 1 113 113 ASP HA H 202 4.598 4.598 4.607 -0.009 17780 1148 1 2 . 1 1 113 113 ASP CA C 202 57.984 57.984 58.238 -0.254 17780 1149 1 2 . 1 1 113 113 ASP CB C 202 41.756 41.756 41.040 0.716 17780 1150 1 2 . 1 1 113 113 ASP H H 202 7.503 7.503 8.122 -0.619 17780 1151 1 2 . 1 1 114 114 VAL N N 203 119.529 119.529 119.939 -0.410 17780 1152 1 2 . 1 1 114 114 VAL HA H 203 3.279 3.279 3.484 -0.205 17780 1153 1 2 . 1 1 114 114 VAL CA C 203 67.817 67.817 66.504 1.313 17780 1154 1 2 . 1 1 114 114 VAL CB C 203 31.528 31.528 31.727 -0.199 17780 1155 1 2 . 1 1 114 114 VAL H H 203 8.209 8.209 7.826 0.383 17780 1156 1 2 . 1 1 115 115 LYS N N 204 119.051 119.051 120.617 -1.566 17780 1157 1 2 . 1 1 115 115 LYS HA H 204 4.082 4.082 4.214 -0.132 17780 1158 1 2 . 1 1 115 115 LYS CA C 204 59.268 59.268 59.402 -0.134 17780 1159 1 2 . 1 1 115 115 LYS CB C 204 31.979 31.979 32.810 -0.832 17780 1160 1 2 . 1 1 115 115 LYS H H 204 7.714 7.714 8.245 -0.531 17780 1161 1 2 . 1 1 116 116 MET N N 205 118.581 118.581 116.408 2.173 17780 1162 1 2 . 1 1 116 116 MET HA H 205 4.167 4.167 4.443 -0.276 17780 1163 1 2 . 1 1 116 116 MET CA C 205 59.984 59.984 58.858 1.125 17780 1164 1 2 . 1 1 116 116 MET CB C 205 32.933 32.933 32.959 -0.026 17780 1165 1 2 . 1 1 116 116 MET H H 205 8.182 8.182 8.302 -0.120 17780 1166 1 2 . 1 1 117 117 MET N N 206 118.259 118.259 118.041 0.218 17780 1167 1 2 . 1 1 117 117 MET HA H 206 3.561 3.561 4.133 -0.572 17780 1168 1 2 . 1 1 117 117 MET CA C 206 59.967 59.967 58.512 1.455 17780 1169 1 2 . 1 1 117 117 MET CB C 206 33.824 33.824 31.848 1.976 17780 1170 1 2 . 1 1 117 117 MET H H 206 8.691 8.691 7.913 0.778 17780 1171 1 2 . 1 1 118 118 GLU N N 207 118.878 118.878 120.598 -1.720 17780 1172 1 2 . 1 1 118 118 GLU HA H 207 3.658 3.658 3.873 -0.215 17780 1173 1 2 . 1 1 118 118 GLU CA C 207 60.702 60.702 59.797 0.905 17780 1174 1 2 . 1 1 118 118 GLU CB C 207 29.000 29.000 29.340 -0.340 17780 1175 1 2 . 1 1 118 118 GLU H H 207 8.544 8.544 8.063 0.481 17780 1176 1 2 . 1 1 119 119 ARG N N 208 116.694 116.694 117.513 -0.819 17780 1177 1 2 . 1 1 119 119 ARG HA H 208 4.228 4.228 4.010 0.218 17780 1178 1 2 . 1 1 119 119 ARG CA C 208 58.554 58.554 59.392 -0.838 17780 1179 1 2 . 1 1 119 119 ARG CB C 208 30.136 30.136 29.777 0.359 17780 1180 1 2 . 1 1 119 119 ARG H H 208 7.289 7.289 7.781 -0.492 17780 1181 1 2 . 1 1 120 120 VAL N N 209 119.035 119.035 116.016 3.019 17780 1182 1 2 . 1 1 120 120 VAL HA H 209 3.837 3.837 3.937 -0.100 17780 1183 1 2 . 1 1 120 120 VAL CA C 209 65.766 65.766 65.270 0.496 17780 1184 1 2 . 1 1 120 120 VAL CB C 209 32.213 32.213 31.488 0.725 17780 1185 1 2 . 1 1 120 120 VAL H H 209 8.279 8.279 7.358 0.921 17780 1186 1 2 . 1 1 121 121 VAL N N 210 121.668 121.668 121.703 -0.035 17780 1187 1 2 . 1 1 121 121 VAL HA H 210 3.597 3.597 3.601 -0.004 17780 1188 1 2 . 1 1 121 121 VAL CA C 210 66.639 66.639 67.412 -0.773 17780 1189 1 2 . 1 1 121 121 VAL CB C 210 31.097 31.097 31.242 -0.145 17780 1190 1 2 . 1 1 121 121 VAL H H 210 9.183 9.183 7.846 1.337 17780 1191 1 2 . 1 1 122 122 GLU N N 211 120.770 120.770 119.880 0.890 17780 1192 1 2 . 1 1 122 122 GLU HA H 211 3.603 3.603 3.804 -0.201 17780 1193 1 2 . 1 1 122 122 GLU CA C 211 61.132 61.132 60.134 0.998 17780 1194 1 2 . 1 1 122 122 GLU CB C 211 29.153 29.153 29.216 -0.063 17780 1195 1 2 . 1 1 122 122 GLU H H 211 8.041 8.041 8.171 -0.130 17780 1196 1 2 . 1 1 123 123 GLN N N 212 114.580 114.580 117.013 -2.433 17780 1197 1 2 . 1 1 123 123 GLN HA H 212 3.662 3.662 4.125 -0.463 17780 1198 1 2 . 1 1 123 123 GLN CA C 212 58.509 58.509 57.460 1.049 17780 1199 1 2 . 1 1 123 123 GLN CB C 212 27.824 27.824 28.285 -0.461 17780 1200 1 2 . 1 1 123 123 GLN H H 212 7.096 7.096 7.533 -0.437 17780 1201 1 2 . 1 1 124 124 MET N N 213 119.748 119.748 121.460 -1.712 17780 1202 1 2 . 1 1 124 124 MET HA H 213 4.167 4.167 4.245 -0.078 17780 1203 1 2 . 1 1 124 124 MET CA C 213 59.928 59.928 58.964 0.964 17780 1204 1 2 . 1 1 124 124 MET CB C 213 34.529 34.529 32.689 1.840 17780 1205 1 2 . 1 1 124 124 MET H H 213 8.145 8.145 7.968 0.177 17780 1206 1 2 . 1 1 125 125 CYS N N 214 119.538 119.538 119.254 0.284 17780 1207 1 2 . 1 1 125 125 CYS HA H 214 4.427 4.427 4.180 0.247 17780 1208 1 2 . 1 1 125 125 CYS CA C 214 59.838 59.838 62.179 -2.341 17780 1209 1 2 . 1 1 125 125 CYS CB C 214 41.798 41.798 25.523 16.275 17780 1210 1 2 . 1 1 125 125 CYS H H 214 9.275 9.275 8.277 0.998 17780 1211 1 2 . 1 1 126 126 ILE N N 215 123.982 123.982 120.857 3.125 17780 1212 1 2 . 1 1 126 126 ILE HA H 215 3.579 3.579 3.838 -0.259 17780 1213 1 2 . 1 1 126 126 ILE CA C 215 66.649 66.649 65.263 1.386 17780 1214 1 2 . 1 1 126 126 ILE CB C 215 38.152 38.152 37.813 0.339 17780 1215 1 2 . 1 1 126 126 ILE H H 215 8.434 8.434 7.694 0.740 17780 1216 1 2 . 1 1 127 127 THR N N 216 118.728 118.728 116.626 2.102 17780 1217 1 2 . 1 1 127 127 THR HA H 216 3.835 3.835 3.938 -0.103 17780 1218 1 2 . 1 1 127 127 THR CA C 216 67.425 67.425 67.037 0.388 17780 1219 1 2 . 1 1 127 127 THR CB C 216 68.035 68.035 68.171 -0.135 17780 1220 1 2 . 1 1 127 127 THR H H 216 8.097 8.097 8.117 -0.020 17780 1221 1 2 . 1 1 128 128 GLN N N 217 122.368 122.368 120.833 1.535 17780 1222 1 2 . 1 1 128 128 GLN HA H 217 3.662 3.662 4.188 -0.526 17780 1223 1 2 . 1 1 128 128 GLN CA C 217 58.462 58.462 58.482 -0.020 17780 1224 1 2 . 1 1 128 128 GLN CB C 217 28.075 28.075 28.306 -0.231 17780 1225 1 2 . 1 1 128 128 GLN H H 217 8.637 8.637 7.834 0.803 17780 1226 1 2 . 1 1 129 129 TYR N N 218 121.512 121.512 122.654 -1.142 17780 1227 1 2 . 1 1 129 129 TYR HA H 218 2.929 2.929 4.045 -1.116 17780 1228 1 2 . 1 1 129 129 TYR CA C 218 61.904 61.904 61.440 0.464 17780 1229 1 2 . 1 1 129 129 TYR CB C 218 37.075 37.075 38.356 -1.281 17780 1230 1 2 . 1 1 129 129 TYR H H 218 8.705 8.705 8.902 -0.197 17780 1231 1 2 . 1 1 130 130 LYS N N 219 120.801 120.801 117.857 2.944 17780 1232 1 2 . 1 1 130 130 LYS HA H 219 3.667 3.667 3.802 -0.135 17780 1233 1 2 . 1 1 130 130 LYS CA C 219 60.001 60.001 57.404 2.597 17780 1234 1 2 . 1 1 130 130 LYS CB C 219 31.732 31.732 31.665 0.067 17780 1235 1 2 . 1 1 130 130 LYS H H 219 8.232 8.232 8.436 -0.204 17780 1236 1 2 . 1 1 131 131 ARG HA H 220 3.978 3.978 3.942 0.036 17780 1237 1 2 . 1 1 131 131 ARG CA C 220 59.013 59.013 59.504 -0.491 17780 1238 1 2 . 1 1 131 131 ARG CB C 220 30.028 30.028 30.227 -0.199 17780 1239 1 2 . 1 1 132 132 GLU N N 221 119.690 119.690 118.253 1.437 17780 1240 1 2 . 1 1 132 132 GLU HA H 221 4.035 4.035 4.153 -0.118 17780 1241 1 2 . 1 1 132 132 GLU CA C 221 58.006 58.006 58.089 -0.083 17780 1242 1 2 . 1 1 132 132 GLU CB C 221 29.270 29.270 28.836 0.434 17780 1243 1 2 . 1 1 132 132 GLU H H 221 8.521 8.521 8.341 0.180 17780 1244 1 2 . 1 1 133 133 SER N N 222 115.963 115.963 114.831 1.132 17780 1245 1 2 . 1 1 133 133 SER HA H 222 3.884 3.884 3.963 -0.079 17780 1246 1 2 . 1 1 133 133 SER CA C 222 61.500 61.500 61.376 0.124 17780 1247 1 2 . 1 1 133 133 SER CB C 222 62.207 62.207 61.928 0.279 17780 1248 1 2 . 1 1 133 133 SER H H 222 8.543 8.543 7.919 0.624 17780 1249 1 2 . 1 1 134 134 GLN N N 223 120.695 120.695 121.178 -0.483 17780 1250 1 2 . 1 1 134 134 GLN HA H 223 4.152 4.152 3.719 0.433 17780 1251 1 2 . 1 1 134 134 GLN CA C 223 58.646 58.646 58.269 0.377 17780 1252 1 2 . 1 1 134 134 GLN CB C 223 28.299 28.299 28.274 0.025 17780 1253 1 2 . 1 1 134 134 GLN H H 223 7.486 7.486 7.267 0.219 17780 1254 1 2 . 1 1 135 135 ALA N N 224 120.905 120.905 121.116 -0.211 17780 1255 1 2 . 1 1 135 135 ALA HA H 224 4.169 4.169 4.089 0.080 17780 1256 1 2 . 1 1 135 135 ALA CA C 224 54.404 54.404 54.443 -0.039 17780 1257 1 2 . 1 1 135 135 ALA CB C 224 18.233 18.233 18.190 0.043 17780 1258 1 2 . 1 1 135 135 ALA H H 224 7.497 7.497 7.365 0.132 17780 1259 1 2 . 1 1 136 136 TYR N N 225 119.969 119.969 120.594 -0.625 17780 1260 1 2 . 1 1 136 136 TYR HA H 225 4.080 4.080 4.061 0.019 17780 1261 1 2 . 1 1 136 136 TYR CA C 225 61.060 61.060 60.652 0.408 17780 1262 1 2 . 1 1 136 136 TYR CB C 225 39.008 39.008 38.554 0.454 17780 1263 1 2 . 1 1 136 136 TYR H H 225 8.215 8.215 7.496 0.719 17780 1264 1 2 . 1 1 137 137 TYR N N 226 117.988 117.988 117.159 0.829 17780 1265 1 2 . 1 1 137 137 TYR HA H 226 4.319 4.319 3.891 0.428 17780 1266 1 2 . 1 1 137 137 TYR CA C 226 59.543 59.543 58.432 1.111 17780 1267 1 2 . 1 1 137 137 TYR CB C 226 37.769 37.769 36.584 1.185 17780 1268 1 2 . 1 1 137 137 TYR H H 226 8.022 8.022 8.348 -0.326 17780 1269 1 2 . 1 1 138 138 GLN N N 227 118.911 118.911 119.018 -0.107 17780 1270 1 2 . 1 1 138 138 GLN HA H 227 4.189 4.189 4.124 0.065 17780 1271 1 2 . 1 1 138 138 GLN CA C 227 57.002 57.002 57.630 -0.628 17780 1272 1 2 . 1 1 138 138 GLN CB C 227 28.740 28.740 27.708 1.032 17780 1273 1 2 . 1 1 138 138 GLN H H 227 7.838 7.838 7.580 0.258 17780 1274 1 2 . 1 1 139 139 ARG N N 228 119.910 119.910 119.164 0.746 17780 1275 1 2 . 1 1 139 139 ARG HA H 228 4.207 4.207 4.111 0.096 17780 1276 1 2 . 1 1 139 139 ARG CA C 228 57.338 57.338 57.644 -0.306 17780 1277 1 2 . 1 1 139 139 ARG CB C 228 30.390 30.390 30.151 0.239 17780 1278 1 2 . 1 1 139 139 ARG H H 228 7.862 7.862 7.801 0.061 17780 1279 1 2 . 1 1 140 140 GLY N N 229 108.627 108.627 104.712 3.915 17780 1280 1 2 . 1 1 140 140 GLY CA C 229 45.477 45.477 45.050 0.427 17780 1281 1 2 . 1 1 140 140 GLY H H 229 8.092 8.092 7.739 0.353 17780 1282 1 2 . 1 1 141 141 SER N N 230 115.141 115.141 115.782 -0.641 17780 1283 1 2 . 1 1 141 141 SER HA H 230 4.330 4.330 4.606 -0.276 17780 1284 1 2 . 1 1 141 141 SER CA C 230 58.650 58.650 58.325 0.325 17780 1285 1 2 . 1 1 141 141 SER CB C 230 63.641 63.641 63.861 -0.221 17780 1286 1 2 . 1 1 141 141 SER H H 230 8.050 8.050 7.915 0.135 17780 1287 1 3 . 1 1 2 2 GLN N N 91 119.729 119.729 118.713 1.016 17780 1288 1 3 . 1 1 2 2 GLN HA H 91 4.407 4.407 4.948 -0.541 17780 1289 1 3 . 1 1 2 2 GLN CA C 91 55.969 55.969 55.667 0.302 17780 1290 1 3 . 1 1 2 2 GLN CB C 91 29.576 29.576 31.677 -2.101 17780 1291 1 3 . 1 1 2 2 GLN H H 91 8.267 8.267 10.275 -2.008 17780 1292 1 3 . 1 1 3 3 GLY N N 92 110.081 110.081 108.721 1.360 17780 1293 1 3 . 1 1 3 3 GLY CA C 92 45.115 45.115 44.981 0.134 17780 1294 1 3 . 1 1 3 3 GLY H H 92 8.515 8.515 9.462 -0.947 17780 1295 1 3 . 1 1 4 4 GLY N N 93 108.748 108.748 107.004 1.744 17780 1296 1 3 . 1 1 4 4 GLY CA C 93 45.228 45.228 46.787 -1.559 17780 1297 1 3 . 1 1 4 4 GLY H H 93 8.331 8.331 11.406 -3.075 17780 1298 1 3 . 1 1 5 5 GLY N N 94 108.857 108.857 106.924 1.933 17780 1299 1 3 . 1 1 5 5 GLY CA C 94 45.172 45.172 45.967 -0.795 17780 1300 1 3 . 1 1 5 5 GLY H H 94 8.362 8.362 10.063 -1.701 17780 1301 1 3 . 1 1 6 6 THR N N 95 113.538 113.538 111.588 1.950 17780 1302 1 3 . 1 1 6 6 THR HA H 95 4.282 4.282 5.043 -0.761 17780 1303 1 3 . 1 1 6 6 THR CA C 95 61.906 61.906 61.291 0.615 17780 1304 1 3 . 1 1 6 6 THR CB C 95 69.711 69.711 71.891 -2.180 17780 1305 1 3 . 1 1 6 6 THR H H 95 8.129 8.129 8.754 -0.625 17780 1306 1 3 . 1 1 7 7 HIS N N 96 121.027 121.027 118.795 2.232 17780 1307 1 3 . 1 1 7 7 HIS HA H 96 4.713 4.713 5.128 -0.415 17780 1308 1 3 . 1 1 7 7 HIS CA C 96 55.169 55.169 55.582 -0.413 17780 1309 1 3 . 1 1 7 7 HIS CB C 96 29.575 29.575 31.683 -2.108 17780 1310 1 3 . 1 1 7 7 HIS H H 96 8.497 8.497 8.844 -0.347 17780 1311 1 3 . 1 1 8 8 SER N N 97 117.031 117.031 117.924 -0.893 17780 1312 1 3 . 1 1 8 8 SER HA H 97 4.405 4.405 4.726 -0.321 17780 1313 1 3 . 1 1 8 8 SER CA C 97 58.379 58.379 57.589 0.790 17780 1314 1 3 . 1 1 8 8 SER CB C 97 63.535 63.535 66.098 -2.563 17780 1315 1 3 . 1 1 8 8 SER H H 97 8.275 8.275 8.334 -0.059 17780 1316 1 3 . 1 1 9 9 GLN N N 98 122.084 122.084 119.300 2.784 17780 1317 1 3 . 1 1 9 9 GLN HA H 98 4.279 4.279 5.113 -0.834 17780 1318 1 3 . 1 1 9 9 GLN CA C 98 55.970 55.970 55.107 0.863 17780 1319 1 3 . 1 1 9 9 GLN CB C 98 29.157 29.157 31.624 -2.467 17780 1320 1 3 . 1 1 9 9 GLN H H 98 8.462 8.462 8.822 -0.360 17780 1321 1 3 . 1 1 10 10 TRP N N 99 121.630 121.630 124.423 -2.793 17780 1322 1 3 . 1 1 10 10 TRP HA H 99 4.676 4.676 4.785 -0.109 17780 1323 1 3 . 1 1 10 10 TRP CA C 99 57.046 57.046 57.447 -0.401 17780 1324 1 3 . 1 1 10 10 TRP CB C 99 29.440 29.440 30.371 -0.931 17780 1325 1 3 . 1 1 10 10 TRP H H 99 8.086 8.086 8.494 -0.408 17780 1326 1 3 . 1 1 11 11 ASN N N 100 120.591 120.591 121.125 -0.534 17780 1327 1 3 . 1 1 11 11 ASN HA H 100 4.602 4.602 4.431 0.171 17780 1328 1 3 . 1 1 11 11 ASN CA C 100 52.675 52.675 51.805 0.870 17780 1329 1 3 . 1 1 11 11 ASN CB C 100 38.781 38.781 40.337 -1.556 17780 1330 1 3 . 1 1 11 11 ASN H H 100 8.095 8.095 7.690 0.405 17780 1331 1 3 . 1 1 12 12 LYS N N 101 122.656 122.656 120.638 2.018 17780 1332 1 3 . 1 1 12 12 LYS HA H 101 4.435 4.435 4.097 0.338 17780 1333 1 3 . 1 1 12 12 LYS CA C 101 54.139 54.139 54.329 -0.190 17780 1334 1 3 . 1 1 12 12 LYS CB C 101 32.474 32.474 32.292 0.182 17780 1335 1 3 . 1 1 12 12 LYS H H 101 7.985 7.985 8.086 -0.101 17780 1336 1 3 . 1 1 13 13 PRO HA H 102 4.425 4.425 4.446 -0.021 17780 1337 1 3 . 1 1 13 13 PRO CA C 102 63.065 63.065 63.313 -0.248 17780 1338 1 3 . 1 1 13 13 PRO CB C 102 32.056 32.056 32.323 -0.267 17780 1339 1 3 . 1 1 14 14 SER N N 103 116.881 116.881 113.570 3.311 17780 1340 1 3 . 1 1 14 14 SER HA H 103 4.430 4.430 4.692 -0.262 17780 1341 1 3 . 1 1 14 14 SER CA C 103 57.973 57.973 57.523 0.450 17780 1342 1 3 . 1 1 14 14 SER CB C 103 63.669 63.669 64.685 -1.016 17780 1343 1 3 . 1 1 14 14 SER H H 103 8.420 8.420 7.943 0.477 17780 1344 1 3 . 1 1 15 15 LYS N N 104 124.163 124.163 119.277 4.886 17780 1345 1 3 . 1 1 15 15 LYS HA H 104 4.620 4.620 4.871 -0.251 17780 1346 1 3 . 1 1 15 15 LYS CA C 104 54.160 54.160 54.561 -0.401 17780 1347 1 3 . 1 1 15 15 LYS CB C 104 32.606 32.606 33.597 -0.991 17780 1348 1 3 . 1 1 15 15 LYS H H 104 8.321 8.321 8.537 -0.216 17780 1349 1 3 . 1 1 16 16 PRO HA H 105 4.412 4.412 4.602 -0.190 17780 1350 1 3 . 1 1 16 16 PRO CA C 105 63.012 63.012 62.656 0.356 17780 1351 1 3 . 1 1 16 16 PRO CB C 105 32.152 32.152 32.455 -0.303 17780 1352 1 3 . 1 1 17 17 LYS N N 106 122.072 122.072 118.885 3.187 17780 1353 1 3 . 1 1 17 17 LYS HA H 106 4.338 4.338 4.847 -0.509 17780 1354 1 3 . 1 1 17 17 LYS CA C 106 56.299 56.299 55.426 0.873 17780 1355 1 3 . 1 1 17 17 LYS CB C 106 32.928 32.928 35.227 -2.299 17780 1356 1 3 . 1 1 17 17 LYS H H 106 8.516 8.516 8.562 -0.046 17780 1357 1 3 . 1 1 18 18 THR N N 107 115.252 115.252 115.559 -0.307 17780 1358 1 3 . 1 1 18 18 THR HA H 107 4.323 4.323 4.593 -0.270 17780 1359 1 3 . 1 1 18 18 THR CA C 107 61.523 61.523 61.564 -0.041 17780 1360 1 3 . 1 1 18 18 THR CB C 107 69.778 69.778 69.957 -0.179 17780 1361 1 3 . 1 1 18 18 THR H H 107 8.133 8.133 8.913 -0.780 17780 1362 1 3 . 1 1 19 19 ASN N N 108 121.344 121.344 121.353 -0.009 17780 1363 1 3 . 1 1 19 19 ASN HA H 108 4.712 4.712 5.437 -0.725 17780 1364 1 3 . 1 1 19 19 ASN CA C 108 53.019 53.019 52.129 0.890 17780 1365 1 3 . 1 1 19 19 ASN CB C 108 38.728 38.728 41.282 -2.554 17780 1366 1 3 . 1 1 19 19 ASN H H 108 8.537 8.537 8.917 -0.380 17780 1367 1 3 . 1 1 20 20 MET N N 109 121.309 121.309 116.584 4.725 17780 1368 1 3 . 1 1 20 20 MET HA H 109 4.437 4.437 5.062 -0.625 17780 1369 1 3 . 1 1 20 20 MET CA C 109 55.446 55.446 54.615 0.831 17780 1370 1 3 . 1 1 20 20 MET CB C 109 32.809 32.809 36.005 -3.196 17780 1371 1 3 . 1 1 20 20 MET H H 109 8.346 8.346 8.550 -0.204 17780 1372 1 3 . 1 1 21 21 LYS N N 110 122.292 122.292 120.413 1.879 17780 1373 1 3 . 1 1 21 21 LYS HA H 110 4.237 4.237 4.867 -0.630 17780 1374 1 3 . 1 1 21 21 LYS CA C 110 56.394 56.394 55.645 0.749 17780 1375 1 3 . 1 1 21 21 LYS CB C 110 32.923 32.923 35.602 -2.679 17780 1376 1 3 . 1 1 21 21 LYS H H 110 8.300 8.300 8.984 -0.684 17780 1377 1 3 . 1 1 22 22 HIS N N 111 120.193 120.193 122.707 -2.514 17780 1378 1 3 . 1 1 22 22 HIS HA H 111 4.642 4.642 4.897 -0.255 17780 1379 1 3 . 1 1 22 22 HIS CA C 111 55.391 55.391 55.415 -0.024 17780 1380 1 3 . 1 1 22 22 HIS CB C 111 29.501 29.501 31.385 -1.884 17780 1381 1 3 . 1 1 22 22 HIS H H 111 8.406 8.406 8.869 -0.463 17780 1382 1 3 . 1 1 23 23 MET N N 112 122.529 122.529 122.852 -0.323 17780 1383 1 3 . 1 1 23 23 MET HA H 112 4.464 4.464 5.178 -0.714 17780 1384 1 3 . 1 1 23 23 MET CA C 112 55.125 55.125 54.409 0.716 17780 1385 1 3 . 1 1 23 23 MET CB C 112 32.930 32.930 36.110 -3.180 17780 1386 1 3 . 1 1 23 23 MET H H 112 8.326 8.326 8.694 -0.368 17780 1387 1 3 . 1 1 24 24 ALA N N 113 125.642 125.642 122.753 2.889 17780 1388 1 3 . 1 1 24 24 ALA HA H 113 4.315 4.315 5.258 -0.943 17780 1389 1 3 . 1 1 24 24 ALA CA C 113 52.521 52.521 51.755 0.766 17780 1390 1 3 . 1 1 24 24 ALA CB C 113 19.181 19.181 20.840 -1.659 17780 1391 1 3 . 1 1 24 24 ALA H H 113 8.370 8.370 9.839 -1.469 17780 1392 1 3 . 1 1 25 25 GLY N N 114 108.473 108.473 107.515 0.958 17780 1393 1 3 . 1 1 25 25 GLY CA C 114 45.175 45.175 45.474 -0.299 17780 1394 1 3 . 1 1 25 25 GLY H H 114 8.373 8.373 10.290 -1.917 17780 1395 1 3 . 1 1 26 26 ALA N N 115 123.872 123.872 124.123 -0.251 17780 1396 1 3 . 1 1 26 26 ALA HA H 115 4.316 4.316 4.842 -0.526 17780 1397 1 3 . 1 1 26 26 ALA CA C 115 52.496 52.496 52.978 -0.482 17780 1398 1 3 . 1 1 26 26 ALA CB C 115 19.181 19.181 20.365 -1.184 17780 1399 1 3 . 1 1 26 26 ALA H H 115 8.134 8.134 8.193 -0.059 17780 1400 1 3 . 1 1 27 27 ALA N N 116 123.172 123.172 123.612 -0.440 17780 1401 1 3 . 1 1 27 27 ALA HA H 116 4.287 4.287 4.752 -0.465 17780 1402 1 3 . 1 1 27 27 ALA CA C 116 52.464 52.464 52.498 -0.034 17780 1403 1 3 . 1 1 27 27 ALA CB C 116 19.180 19.180 20.502 -1.322 17780 1404 1 3 . 1 1 27 27 ALA H H 116 8.268 8.268 8.458 -0.190 17780 1405 1 3 . 1 1 28 28 ALA N N 117 123.253 123.253 122.577 0.676 17780 1406 1 3 . 1 1 28 28 ALA HA H 117 4.277 4.277 5.050 -0.773 17780 1407 1 3 . 1 1 28 28 ALA CA C 117 52.383 52.383 52.211 0.172 17780 1408 1 3 . 1 1 28 28 ALA CB C 117 19.156 19.156 20.534 -1.378 17780 1409 1 3 . 1 1 28 28 ALA H H 117 8.169 8.169 8.483 -0.314 17780 1410 1 3 . 1 1 29 29 ALA N N 118 123.225 123.225 123.147 0.078 17780 1411 1 3 . 1 1 29 29 ALA HA H 118 4.282 4.282 4.668 -0.386 17780 1412 1 3 . 1 1 29 29 ALA CA C 118 52.469 52.469 52.065 0.404 17780 1413 1 3 . 1 1 29 29 ALA CB C 118 19.129 19.129 20.416 -1.288 17780 1414 1 3 . 1 1 29 29 ALA H H 118 8.204 8.204 8.602 -0.398 17780 1415 1 3 . 1 1 30 30 GLY N N 119 107.906 107.906 112.132 -4.226 17780 1416 1 3 . 1 1 30 30 GLY CA C 119 45.089 45.089 45.644 -0.555 17780 1417 1 3 . 1 1 30 30 GLY H H 119 8.271 8.271 8.529 -0.258 17780 1418 1 3 . 1 1 31 31 ALA N N 120 123.540 123.540 125.028 -1.488 17780 1419 1 3 . 1 1 31 31 ALA HA H 120 4.339 4.339 4.528 -0.189 17780 1420 1 3 . 1 1 31 31 ALA CA C 120 52.282 52.282 52.131 0.151 17780 1421 1 3 . 1 1 31 31 ALA CB C 120 19.432 19.432 19.462 -0.031 17780 1422 1 3 . 1 1 31 31 ALA H H 120 8.039 8.039 7.805 0.234 17780 1423 1 3 . 1 1 32 32 VAL N N 121 119.579 119.579 112.181 7.398 17780 1424 1 3 . 1 1 32 32 VAL HA H 121 4.117 4.117 3.767 0.350 17780 1425 1 3 . 1 1 32 32 VAL CA C 121 62.142 62.142 63.880 -1.738 17780 1426 1 3 . 1 1 32 32 VAL CB C 121 32.673 32.673 30.081 2.592 17780 1427 1 3 . 1 1 32 32 VAL H H 121 8.109 8.109 8.748 -0.639 17780 1428 1 3 . 1 1 33 33 VAL N N 122 124.655 124.655 121.476 3.179 17780 1429 1 3 . 1 1 33 33 VAL HA H 122 4.081 4.081 3.942 0.139 17780 1430 1 3 . 1 1 33 33 VAL CA C 122 62.430 62.430 64.023 -1.593 17780 1431 1 3 . 1 1 33 33 VAL CB C 122 32.675 32.675 31.008 1.667 17780 1432 1 3 . 1 1 33 33 VAL H H 122 8.262 8.262 7.402 0.860 17780 1433 1 3 . 1 1 34 34 GLY N N 123 113.165 113.165 108.392 4.773 17780 1434 1 3 . 1 1 34 34 GLY CA C 123 45.264 45.264 44.795 0.469 17780 1435 1 3 . 1 1 34 34 GLY H H 123 8.528 8.528 8.374 0.154 17780 1436 1 3 . 1 1 35 35 GLY N N 124 108.440 108.440 109.273 -0.833 17780 1437 1 3 . 1 1 35 35 GLY CA C 124 45.264 45.264 45.353 -0.089 17780 1438 1 3 . 1 1 35 35 GLY H H 124 8.245 8.245 7.781 0.464 17780 1439 1 3 . 1 1 36 36 LEU N N 125 121.679 121.679 120.183 1.496 17780 1440 1 3 . 1 1 36 36 LEU HA H 125 4.340 4.340 4.570 -0.230 17780 1441 1 3 . 1 1 36 36 LEU CA C 125 54.808 54.808 55.661 -0.853 17780 1442 1 3 . 1 1 36 36 LEU CB C 125 42.417 42.417 42.506 -0.089 17780 1443 1 3 . 1 1 36 36 LEU H H 125 8.233 8.233 7.758 0.475 17780 1444 1 3 . 1 1 37 37 GLY N N 126 109.818 109.818 108.189 1.629 17780 1445 1 3 . 1 1 37 37 GLY CA C 126 46.266 46.266 46.421 -0.155 17780 1446 1 3 . 1 1 37 37 GLY H H 126 8.511 8.511 8.775 -0.264 17780 1447 1 3 . 1 1 38 38 GLY N N 127 109.485 109.485 108.358 1.127 17780 1448 1 3 . 1 1 38 38 GLY CA C 127 45.029 45.029 44.791 0.238 17780 1449 1 3 . 1 1 38 38 GLY H H 127 8.374 8.374 7.871 0.503 17780 1450 1 3 . 1 1 39 39 TYR N N 128 117.683 117.683 120.073 -2.390 17780 1451 1 3 . 1 1 39 39 TYR HA H 128 4.501 4.501 4.606 -0.105 17780 1452 1 3 . 1 1 39 39 TYR CA C 128 58.050 58.050 57.772 0.278 17780 1453 1 3 . 1 1 39 39 TYR CB C 128 40.362 40.362 39.323 1.039 17780 1454 1 3 . 1 1 39 39 TYR H H 128 7.746 7.746 7.885 -0.139 17780 1455 1 3 . 1 1 40 40 MET N N 129 120.902 120.902 117.048 3.854 17780 1456 1 3 . 1 1 40 40 MET HA H 129 4.534 4.534 4.755 -0.221 17780 1457 1 3 . 1 1 40 40 MET CA C 129 53.516 53.516 53.585 -0.069 17780 1458 1 3 . 1 1 40 40 MET CB C 129 34.851 34.851 36.576 -1.725 17780 1459 1 3 . 1 1 40 40 MET H H 129 9.005 9.005 8.805 0.200 17780 1460 1 3 . 1 1 41 41 LEU N N 130 121.514 121.514 114.676 6.838 17780 1461 1 3 . 1 1 41 41 LEU HA H 130 4.464 4.464 5.044 -0.580 17780 1462 1 3 . 1 1 41 41 LEU CA C 130 53.359 53.359 52.697 0.662 17780 1463 1 3 . 1 1 41 41 LEU CB C 130 43.482 43.482 43.987 -0.505 17780 1464 1 3 . 1 1 41 41 LEU H H 130 8.034 8.034 8.228 -0.194 17780 1465 1 3 . 1 1 42 42 GLY N N 131 114.895 114.895 107.486 7.409 17780 1466 1 3 . 1 1 42 42 GLY CA C 131 44.698 44.698 44.729 -0.031 17780 1467 1 3 . 1 1 42 42 GLY H H 131 9.375 9.375 8.505 0.870 17780 1468 1 3 . 1 1 43 43 SER N N 132 113.692 113.692 117.887 -4.195 17780 1469 1 3 . 1 1 43 43 SER HA H 132 4.429 4.429 4.302 0.127 17780 1470 1 3 . 1 1 43 43 SER CA C 132 58.191 58.191 59.786 -1.595 17780 1471 1 3 . 1 1 43 43 SER CB C 132 63.938 63.938 63.419 0.519 17780 1472 1 3 . 1 1 43 43 SER H H 132 8.345 8.345 8.389 -0.044 17780 1473 1 3 . 1 1 44 44 ALA N N 133 125.505 125.505 123.848 1.657 17780 1474 1 3 . 1 1 44 44 ALA HA H 133 4.437 4.437 4.610 -0.173 17780 1475 1 3 . 1 1 44 44 ALA CA C 133 52.936 52.936 52.006 0.930 17780 1476 1 3 . 1 1 44 44 ALA CB C 133 18.412 18.412 20.177 -1.765 17780 1477 1 3 . 1 1 44 44 ALA H H 133 8.735 8.735 7.903 0.832 17780 1478 1 3 . 1 1 45 45 MET N N 134 120.707 120.707 123.013 -2.306 17780 1479 1 3 . 1 1 45 45 MET HA H 134 4.756 4.756 5.003 -0.247 17780 1480 1 3 . 1 1 45 45 MET CA C 134 54.242 54.242 54.218 0.024 17780 1481 1 3 . 1 1 45 45 MET CB C 134 36.727 36.727 35.341 1.386 17780 1482 1 3 . 1 1 45 45 MET H H 134 8.686 8.686 8.653 0.033 17780 1483 1 3 . 1 1 46 46 SER N N 135 116.235 116.235 116.804 -0.569 17780 1484 1 3 . 1 1 46 46 SER HA H 135 4.375 4.375 4.388 -0.013 17780 1485 1 3 . 1 1 46 46 SER CA C 135 58.410 58.410 58.675 -0.265 17780 1486 1 3 . 1 1 46 46 SER CB C 135 63.016 63.016 63.693 -0.677 17780 1487 1 3 . 1 1 46 46 SER H H 135 8.397 8.397 8.341 0.056 17780 1488 1 3 . 1 1 47 47 ARG N N 136 126.632 126.632 124.437 2.195 17780 1489 1 3 . 1 1 47 47 ARG HA H 136 4.406 4.406 4.623 -0.217 17780 1490 1 3 . 1 1 47 47 ARG CA C 136 54.783 54.783 54.658 0.125 17780 1491 1 3 . 1 1 47 47 ARG CB C 136 29.040 29.040 29.810 -0.770 17780 1492 1 3 . 1 1 47 47 ARG H H 136 8.668 8.668 8.667 0.001 17780 1493 1 3 . 1 1 48 48 PRO HA H 137 4.422 4.422 4.590 -0.168 17780 1494 1 3 . 1 1 48 48 PRO CA C 137 62.327 62.327 62.617 -0.290 17780 1495 1 3 . 1 1 48 48 PRO CB C 137 32.269 32.269 32.672 -0.403 17780 1496 1 3 . 1 1 49 49 ILE N N 138 122.521 122.521 120.195 2.326 17780 1497 1 3 . 1 1 49 49 ILE HA H 138 4.148 4.148 4.072 0.076 17780 1498 1 3 . 1 1 49 49 ILE CA C 138 60.916 60.916 60.629 0.287 17780 1499 1 3 . 1 1 49 49 ILE CB C 138 36.234 36.234 39.021 -2.787 17780 1500 1 3 . 1 1 49 49 ILE H H 138 8.603 8.603 8.082 0.521 17780 1501 1 3 . 1 1 50 50 ILE N N 139 126.683 126.683 125.880 0.803 17780 1502 1 3 . 1 1 50 50 ILE HA H 139 3.927 3.927 3.772 0.155 17780 1503 1 3 . 1 1 50 50 ILE CA C 139 58.700 58.700 58.620 0.081 17780 1504 1 3 . 1 1 50 50 ILE CB C 139 39.345 39.345 40.981 -1.636 17780 1505 1 3 . 1 1 50 50 ILE H H 139 6.514 6.514 7.980 -1.466 17780 1506 1 3 . 1 1 51 51 HIS N N 140 121.997 121.997 121.337 0.660 17780 1507 1 3 . 1 1 51 51 HIS HA H 140 4.918 4.918 4.399 0.519 17780 1508 1 3 . 1 1 51 51 HIS CA C 140 54.065 54.065 55.223 -1.158 17780 1509 1 3 . 1 1 51 51 HIS CB C 140 29.466 29.466 27.930 1.536 17780 1510 1 3 . 1 1 51 51 HIS H H 140 8.203 8.203 7.452 0.751 17780 1511 1 3 . 1 1 52 52 PHE N N 141 124.334 124.334 122.926 1.408 17780 1512 1 3 . 1 1 52 52 PHE HA H 141 4.348 4.348 4.524 -0.176 17780 1513 1 3 . 1 1 52 52 PHE CA C 141 59.251 59.251 58.318 0.933 17780 1514 1 3 . 1 1 52 52 PHE CB C 141 41.448 41.448 39.712 1.736 17780 1515 1 3 . 1 1 52 52 PHE H H 141 10.160 10.160 8.073 2.087 17780 1516 1 3 . 1 1 53 53 GLY N N 142 108.368 108.368 104.932 3.436 17780 1517 1 3 . 1 1 53 53 GLY CA C 142 45.516 45.516 45.227 0.289 17780 1518 1 3 . 1 1 53 53 GLY H H 142 8.984 8.984 8.301 0.683 17780 1519 1 3 . 1 1 54 54 SER N N 143 111.819 111.819 114.064 -2.245 17780 1520 1 3 . 1 1 54 54 SER HA H 143 4.810 4.810 4.561 0.249 17780 1521 1 3 . 1 1 54 54 SER CA C 143 56.498 56.498 57.233 -0.735 17780 1522 1 3 . 1 1 54 54 SER CB C 143 65.964 65.964 65.083 0.881 17780 1523 1 3 . 1 1 54 54 SER H H 143 7.334 7.334 7.669 -0.335 17780 1524 1 3 . 1 1 55 55 ASP N N 144 124.249 124.249 123.264 0.985 17780 1525 1 3 . 1 1 55 55 ASP HA H 144 4.500 4.500 4.588 -0.088 17780 1526 1 3 . 1 1 55 55 ASP CA C 144 57.493 57.493 57.354 0.139 17780 1527 1 3 . 1 1 55 55 ASP CB C 144 40.664 40.664 40.984 -0.320 17780 1528 1 3 . 1 1 55 55 ASP H H 144 9.014 9.014 8.588 0.426 17780 1529 1 3 . 1 1 56 56 TYR N N 145 118.991 118.991 115.382 3.609 17780 1530 1 3 . 1 1 56 56 TYR HA H 145 4.196 4.196 4.449 -0.253 17780 1531 1 3 . 1 1 56 56 TYR CA C 145 61.351 61.351 59.572 1.779 17780 1532 1 3 . 1 1 56 56 TYR CB C 145 38.075 38.075 37.338 0.737 17780 1533 1 3 . 1 1 56 56 TYR H H 145 8.551 8.551 7.750 0.801 17780 1534 1 3 . 1 1 57 57 GLU N N 146 119.217 119.217 120.022 -0.805 17780 1535 1 3 . 1 1 57 57 GLU HA H 146 3.563 3.563 4.535 -0.972 17780 1536 1 3 . 1 1 57 57 GLU CA C 146 59.921 59.921 59.097 0.824 17780 1537 1 3 . 1 1 57 57 GLU CB C 146 30.297 30.297 29.823 0.474 17780 1538 1 3 . 1 1 57 57 GLU H H 146 7.741 7.741 7.785 -0.044 17780 1539 1 3 . 1 1 58 58 ASP N N 147 119.565 119.565 118.802 0.763 17780 1540 1 3 . 1 1 58 58 ASP HA H 147 4.498 4.498 4.747 -0.249 17780 1541 1 3 . 1 1 58 58 ASP CA C 147 58.185 58.185 56.690 1.496 17780 1542 1 3 . 1 1 58 58 ASP CB C 147 40.598 40.598 40.616 -0.018 17780 1543 1 3 . 1 1 58 58 ASP H H 147 8.139 8.139 8.216 -0.077 17780 1544 1 3 . 1 1 59 59 ARG N N 148 120.296 120.296 118.959 1.337 17780 1545 1 3 . 1 1 59 59 ARG HA H 148 4.004 4.004 4.131 -0.127 17780 1546 1 3 . 1 1 59 59 ARG CA C 148 59.393 59.393 58.850 0.543 17780 1547 1 3 . 1 1 59 59 ARG CB C 148 29.910 29.910 29.869 0.041 17780 1548 1 3 . 1 1 59 59 ARG H H 148 8.181 8.181 8.209 -0.028 17780 1549 1 3 . 1 1 60 60 TYR N N 149 121.152 121.152 122.205 -1.053 17780 1550 1 3 . 1 1 60 60 TYR HA H 149 3.819 3.819 4.370 -0.551 17780 1551 1 3 . 1 1 60 60 TYR CA C 149 62.195 62.195 58.837 3.358 17780 1552 1 3 . 1 1 60 60 TYR CB C 149 37.808 37.808 38.273 -0.466 17780 1553 1 3 . 1 1 60 60 TYR H H 149 8.333 8.333 7.672 0.661 17780 1554 1 3 . 1 1 61 61 TYR N N 150 120.365 120.365 121.360 -0.995 17780 1555 1 3 . 1 1 61 61 TYR HA H 150 4.122 4.122 3.458 0.664 17780 1556 1 3 . 1 1 61 61 TYR CA C 150 62.969 62.969 60.773 2.196 17780 1557 1 3 . 1 1 61 61 TYR CB C 150 38.207 38.207 37.927 0.280 17780 1558 1 3 . 1 1 61 61 TYR H H 150 8.942 8.942 7.995 0.947 17780 1559 1 3 . 1 1 62 62 ARG N N 151 117.982 117.982 116.585 1.397 17780 1560 1 3 . 1 1 62 62 ARG HA H 151 3.938 3.938 3.397 0.541 17780 1561 1 3 . 1 1 62 62 ARG CA C 151 59.940 59.940 58.222 1.718 17780 1562 1 3 . 1 1 62 62 ARG CB C 151 29.731 29.731 29.677 0.054 17780 1563 1 3 . 1 1 62 62 ARG H H 151 7.938 7.938 7.396 0.542 17780 1564 1 3 . 1 1 63 63 GLU N N 152 116.389 116.389 118.208 -1.819 17780 1565 1 3 . 1 1 63 63 GLU HA H 152 4.059 4.059 4.118 -0.059 17780 1566 1 3 . 1 1 63 63 GLU CA C 152 57.990 57.990 58.789 -0.799 17780 1567 1 3 . 1 1 63 63 GLU CB C 152 29.915 29.915 29.904 0.011 17780 1568 1 3 . 1 1 63 63 GLU H H 152 8.068 8.068 7.754 0.314 17780 1569 1 3 . 1 1 64 64 ASN N N 153 114.690 114.690 117.016 -2.326 17780 1570 1 3 . 1 1 64 64 ASN HA H 153 4.406 4.406 4.350 0.056 17780 1571 1 3 . 1 1 64 64 ASN CA C 153 54.814 54.814 54.366 0.448 17780 1572 1 3 . 1 1 64 64 ASN CB C 153 41.178 41.178 37.955 3.223 17780 1573 1 3 . 1 1 64 64 ASN H H 153 7.525 7.525 7.419 0.106 17780 1574 1 3 . 1 1 65 65 MET N N 154 119.058 119.058 121.064 -2.006 17780 1575 1 3 . 1 1 65 65 MET HA H 154 3.417 3.417 3.415 0.002 17780 1576 1 3 . 1 1 65 65 MET CA C 154 59.193 59.193 58.278 0.915 17780 1577 1 3 . 1 1 65 65 MET CB C 154 30.258 30.258 31.594 -1.336 17780 1578 1 3 . 1 1 65 65 MET H H 154 7.993 7.993 7.360 0.633 17780 1579 1 3 . 1 1 66 66 HIS N N 155 116.083 116.083 116.544 -0.461 17780 1580 1 3 . 1 1 66 66 HIS HA H 155 4.208 4.208 4.311 -0.103 17780 1581 1 3 . 1 1 66 66 HIS CA C 155 57.382 57.382 59.162 -1.780 17780 1582 1 3 . 1 1 66 66 HIS CB C 155 28.955 28.955 29.383 -0.428 17780 1583 1 3 . 1 1 66 66 HIS H H 155 7.988 7.988 7.261 0.727 17780 1584 1 3 . 1 1 67 67 ARG N N 156 118.993 118.993 117.006 1.987 17780 1585 1 3 . 1 1 67 67 ARG HA H 156 4.133 4.133 4.418 -0.285 17780 1586 1 3 . 1 1 67 67 ARG CA C 156 56.135 56.135 56.480 -0.345 17780 1587 1 3 . 1 1 67 67 ARG CB C 156 30.521 30.521 30.586 -0.065 17780 1588 1 3 . 1 1 67 67 ARG H H 156 7.488 7.488 7.662 -0.174 17780 1589 1 3 . 1 1 68 68 TYR N N 157 121.321 121.321 120.191 1.130 17780 1590 1 3 . 1 1 68 68 TYR HA H 157 4.991 4.991 4.812 0.179 17780 1591 1 3 . 1 1 68 68 TYR CA C 157 52.644 52.644 53.935 -1.291 17780 1592 1 3 . 1 1 68 68 TYR CB C 157 34.873 34.873 37.742 -2.869 17780 1593 1 3 . 1 1 68 68 TYR H H 157 7.433 7.433 7.544 -0.111 17780 1594 1 3 . 1 1 69 69 PRO HA H 158 4.338 4.338 4.494 -0.156 17780 1595 1 3 . 1 1 69 69 PRO CA C 158 63.651 63.651 62.781 0.870 17780 1596 1 3 . 1 1 69 69 PRO CB C 158 32.005 32.005 33.191 -1.187 17780 1597 1 3 . 1 1 70 70 ASN N N 159 116.696 116.696 117.125 -0.429 17780 1598 1 3 . 1 1 70 70 ASN HA H 159 4.690 4.690 4.650 0.040 17780 1599 1 3 . 1 1 70 70 ASN CA C 159 51.997 51.997 53.687 -1.690 17780 1600 1 3 . 1 1 70 70 ASN CB C 159 38.375 38.375 39.517 -1.143 17780 1601 1 3 . 1 1 70 70 ASN H H 159 8.673 8.673 8.692 -0.019 17780 1602 1 3 . 1 1 71 71 GLN N N 160 114.313 114.313 116.981 -2.668 17780 1603 1 3 . 1 1 71 71 GLN HA H 160 4.523 4.523 4.696 -0.173 17780 1604 1 3 . 1 1 71 71 GLN CA C 160 54.286 54.286 54.262 0.024 17780 1605 1 3 . 1 1 71 71 GLN CB C 160 32.975 32.975 32.569 0.405 17780 1606 1 3 . 1 1 71 71 GLN H H 160 7.319 7.319 7.674 -0.355 17780 1607 1 3 . 1 1 72 72 VAL N N 161 112.569 112.569 114.340 -1.771 17780 1608 1 3 . 1 1 72 72 VAL HA H 161 4.927 4.927 4.534 0.393 17780 1609 1 3 . 1 1 72 72 VAL CA C 161 58.651 58.651 59.947 -1.296 17780 1610 1 3 . 1 1 72 72 VAL CB C 161 33.812 33.812 34.114 -0.302 17780 1611 1 3 . 1 1 72 72 VAL H H 161 8.477 8.477 8.240 0.237 17780 1612 1 3 . 1 1 73 73 TYR N N 162 121.525 121.525 124.039 -2.514 17780 1613 1 3 . 1 1 73 73 TYR HA H 162 5.507 5.507 5.333 0.174 17780 1614 1 3 . 1 1 73 73 TYR CA C 162 57.133 57.133 55.714 1.419 17780 1615 1 3 . 1 1 73 73 TYR CB C 162 41.970 41.970 41.552 0.418 17780 1616 1 3 . 1 1 73 73 TYR H H 162 8.490 8.490 8.667 -0.177 17780 1617 1 3 . 1 1 74 74 TYR N N 163 111.081 111.081 120.057 -8.976 17780 1618 1 3 . 1 1 74 74 TYR HA H 163 4.758 4.758 5.194 -0.436 17780 1619 1 3 . 1 1 74 74 TYR CA C 163 55.367 55.367 56.651 -1.284 17780 1620 1 3 . 1 1 74 74 TYR CB C 163 40.401 40.401 40.248 0.152 17780 1621 1 3 . 1 1 74 74 TYR H H 163 8.593 8.593 8.702 -0.109 17780 1622 1 3 . 1 1 76 76 PRO HA H 165 4.490 4.490 4.592 -0.102 17780 1623 1 3 . 1 1 76 76 PRO CA C 165 62.967 62.967 63.124 -0.157 17780 1624 1 3 . 1 1 76 76 PRO CB C 165 32.372 32.372 32.711 -0.339 17780 1625 1 3 . 1 1 77 77 MET N N 166 121.408 121.408 116.340 5.068 17780 1626 1 3 . 1 1 77 77 MET HA H 166 4.438 4.438 4.171 0.267 17780 1627 1 3 . 1 1 77 77 MET CA C 166 57.081 57.081 55.330 1.751 17780 1628 1 3 . 1 1 77 77 MET CB C 166 32.165 32.165 31.228 0.937 17780 1629 1 3 . 1 1 77 77 MET H H 166 9.013 9.013 8.647 0.366 17780 1630 1 3 . 1 1 78 78 ASP N N 167 119.933 119.933 119.553 0.380 17780 1631 1 3 . 1 1 78 78 ASP HA H 167 4.754 4.754 4.593 0.161 17780 1632 1 3 . 1 1 78 78 ASP CA C 167 52.485 52.485 52.483 0.002 17780 1633 1 3 . 1 1 78 78 ASP CB C 167 38.802 38.802 40.623 -1.821 17780 1634 1 3 . 1 1 78 78 ASP H H 167 8.176 8.176 8.104 0.072 17780 1635 1 3 . 1 1 79 79 GLU N N 168 116.934 116.934 118.873 -1.939 17780 1636 1 3 . 1 1 79 79 GLU HA H 168 4.308 4.308 3.874 0.434 17780 1637 1 3 . 1 1 79 79 GLU CA C 168 58.638 58.638 57.766 0.872 17780 1638 1 3 . 1 1 79 79 GLU CB C 168 29.185 29.185 27.709 1.476 17780 1639 1 3 . 1 1 79 79 GLU H H 168 8.332 8.332 8.598 -0.266 17780 1640 1 3 . 1 1 81 81 SER N N 170 116.603 116.603 116.205 0.398 17780 1641 1 3 . 1 1 81 81 SER HA H 170 4.374 4.374 4.176 0.198 17780 1642 1 3 . 1 1 81 81 SER CA C 170 58.475 58.475 58.152 0.323 17780 1643 1 3 . 1 1 81 81 SER CB C 170 63.677 63.677 63.746 -0.069 17780 1644 1 3 . 1 1 81 81 SER H H 170 8.560 8.560 8.441 0.119 17780 1645 1 3 . 1 1 83 83 GLN N N 172 120.404 120.404 118.672 1.732 17780 1646 1 3 . 1 1 83 83 GLN HA H 172 4.750 4.750 4.606 0.144 17780 1647 1 3 . 1 1 83 83 GLN CA C 172 59.899 59.899 54.856 5.043 17780 1648 1 3 . 1 1 83 83 GLN CB C 172 29.023 29.023 30.302 -1.279 17780 1649 1 3 . 1 1 83 83 GLN H H 172 8.635 8.635 8.264 0.371 17780 1650 1 3 . 1 1 84 84 ASN N N 173 116.470 116.470 119.808 -3.338 17780 1651 1 3 . 1 1 84 84 ASN HA H 173 4.237 4.237 4.236 0.001 17780 1652 1 3 . 1 1 84 84 ASN CA C 173 56.470 56.470 55.535 0.935 17780 1653 1 3 . 1 1 84 84 ASN CB C 173 37.812 37.812 38.011 -0.199 17780 1654 1 3 . 1 1 84 84 ASN H H 173 8.352 8.352 8.833 -0.481 17780 1655 1 3 . 1 1 85 85 ASN N N 174 118.500 118.500 118.956 -0.456 17780 1656 1 3 . 1 1 85 85 ASN HA H 174 4.534 4.534 4.459 0.075 17780 1657 1 3 . 1 1 85 85 ASN CA C 174 55.905 55.905 55.046 0.859 17780 1658 1 3 . 1 1 85 85 ASN CB C 174 37.760 37.760 37.992 -0.232 17780 1659 1 3 . 1 1 85 85 ASN H H 174 8.602 8.602 8.550 0.052 17780 1660 1 3 . 1 1 86 86 PHE CB C 175 39.641 39.641 38.487 1.154 17780 1661 1 3 . 1 1 87 87 VAL N N 176 120.134 120.134 120.569 -0.435 17780 1662 1 3 . 1 1 87 87 VAL HA H 176 3.564 3.564 2.772 0.792 17780 1663 1 3 . 1 1 87 87 VAL CA C 176 67.737 67.737 65.785 1.952 17780 1664 1 3 . 1 1 87 87 VAL CB C 176 31.951 31.951 30.252 1.699 17780 1665 1 3 . 1 1 87 87 VAL H H 176 9.002 9.002 7.463 1.539 17780 1666 1 3 . 1 1 88 88 HIS N N 177 117.217 117.217 118.430 -1.213 17780 1667 1 3 . 1 1 88 88 HIS HA H 177 4.304 4.304 4.113 0.191 17780 1668 1 3 . 1 1 88 88 HIS CA C 177 59.781 59.781 59.501 0.280 17780 1669 1 3 . 1 1 88 88 HIS CB C 177 28.264 28.264 29.885 -1.621 17780 1670 1 3 . 1 1 88 88 HIS H H 177 8.330 8.330 7.921 0.409 17780 1671 1 3 . 1 1 89 89 ASP N N 178 118.497 118.497 119.627 -1.130 17780 1672 1 3 . 1 1 89 89 ASP HA H 178 4.500 4.500 4.533 -0.033 17780 1673 1 3 . 1 1 89 89 ASP CA C 178 57.423 57.423 56.741 0.682 17780 1674 1 3 . 1 1 89 89 ASP CB C 178 41.792 41.792 41.077 0.715 17780 1675 1 3 . 1 1 89 89 ASP H H 178 7.696 7.696 7.791 -0.095 17780 1676 1 3 . 1 1 90 90 CYS N N 179 119.012 119.012 120.335 -1.323 17780 1677 1 3 . 1 1 90 90 CYS HA H 179 4.753 4.753 4.312 0.441 17780 1678 1 3 . 1 1 90 90 CYS CA C 179 58.466 58.466 62.136 -3.670 17780 1679 1 3 . 1 1 90 90 CYS CB C 179 40.758 40.758 25.652 15.106 17780 1680 1 3 . 1 1 90 90 CYS H H 179 8.037 8.037 7.915 0.122 17780 1681 1 3 . 1 1 91 91 VAL N N 180 125.063 125.063 120.588 4.475 17780 1682 1 3 . 1 1 91 91 VAL HA H 180 3.667 3.667 3.682 -0.015 17780 1683 1 3 . 1 1 91 91 VAL CA C 180 66.293 66.293 66.328 -0.035 17780 1684 1 3 . 1 1 91 91 VAL CB C 180 32.028 32.028 31.328 0.701 17780 1685 1 3 . 1 1 91 91 VAL H H 180 9.212 9.212 8.464 0.748 17780 1686 1 3 . 1 1 92 92 ASN N N 181 116.153 116.153 119.305 -3.152 17780 1687 1 3 . 1 1 92 92 ASN HA H 181 4.311 4.311 4.432 -0.121 17780 1688 1 3 . 1 1 92 92 ASN CA C 181 56.622 56.622 56.280 0.342 17780 1689 1 3 . 1 1 92 92 ASN CB C 181 38.749 38.749 38.311 0.438 17780 1690 1 3 . 1 1 92 92 ASN H H 181 7.626 7.626 7.560 0.066 17780 1691 1 3 . 1 1 93 93 ILE N N 182 118.637 118.637 119.798 -1.161 17780 1692 1 3 . 1 1 93 93 ILE HA H 182 3.787 3.787 3.729 0.058 17780 1693 1 3 . 1 1 93 93 ILE CA C 182 62.078 62.078 63.978 -1.900 17780 1694 1 3 . 1 1 93 93 ILE CB C 182 36.535 36.535 36.266 0.269 17780 1695 1 3 . 1 1 93 93 ILE H H 182 8.610 8.610 8.653 -0.043 17780 1696 1 3 . 1 1 94 94 THR N N 183 118.229 118.229 117.780 0.449 17780 1697 1 3 . 1 1 94 94 THR HA H 183 4.097 4.097 4.055 0.042 17780 1698 1 3 . 1 1 94 94 THR CA C 183 68.834 68.834 67.486 1.348 17780 1699 1 3 . 1 1 94 94 THR CB C 183 68.258 68.258 68.564 -0.306 17780 1700 1 3 . 1 1 94 94 THR H H 183 8.140 8.140 8.176 -0.036 17780 1701 1 3 . 1 1 95 95 ILE N N 184 120.906 120.906 121.382 -0.476 17780 1702 1 3 . 1 1 95 95 ILE HA H 184 3.666 3.666 3.914 -0.248 17780 1703 1 3 . 1 1 95 95 ILE CA C 184 66.259 66.259 62.988 3.271 17780 1704 1 3 . 1 1 95 95 ILE CB C 184 36.824 36.824 37.814 -0.990 17780 1705 1 3 . 1 1 95 95 ILE H H 184 8.450 8.450 7.713 0.737 17780 1706 1 3 . 1 1 96 96 LYS N N 185 123.208 123.208 121.607 1.601 17780 1707 1 3 . 1 1 96 96 LYS HA H 185 4.067 4.067 3.837 0.230 17780 1708 1 3 . 1 1 96 96 LYS CA C 185 59.987 59.987 60.249 -0.262 17780 1709 1 3 . 1 1 96 96 LYS CB C 185 32.119 32.119 32.128 -0.009 17780 1710 1 3 . 1 1 96 96 LYS H H 185 8.067 8.067 8.281 -0.214 17780 1711 1 3 . 1 1 97 97 GLN N N 186 116.879 116.879 118.398 -1.519 17780 1712 1 3 . 1 1 97 97 GLN HA H 186 4.059 4.059 3.988 0.071 17780 1713 1 3 . 1 1 97 97 GLN CA C 186 58.010 58.010 59.086 -1.075 17780 1714 1 3 . 1 1 97 97 GLN CB C 186 27.982 27.982 28.251 -0.269 17780 1715 1 3 . 1 1 97 97 GLN H H 186 8.493 8.493 8.521 -0.028 17780 1716 1 3 . 1 1 98 98 HIS N N 187 119.676 119.676 121.666 -1.990 17780 1717 1 3 . 1 1 98 98 HIS HA H 187 4.579 4.579 4.428 0.151 17780 1718 1 3 . 1 1 98 98 HIS CA C 187 59.465 59.465 59.501 -0.036 17780 1719 1 3 . 1 1 98 98 HIS CB C 187 31.628 31.628 29.866 1.762 17780 1720 1 3 . 1 1 98 98 HIS H H 187 8.435 8.435 7.736 0.699 17780 1721 1 3 . 1 1 99 99 THR N N 188 114.500 114.500 115.682 -1.182 17780 1722 1 3 . 1 1 99 99 THR HA H 188 4.090 4.090 3.786 0.304 17780 1723 1 3 . 1 1 99 99 THR CA C 188 66.210 66.210 65.841 0.369 17780 1724 1 3 . 1 1 99 99 THR CB C 188 68.800 68.800 68.536 0.264 17780 1725 1 3 . 1 1 99 99 THR H H 188 8.440 8.440 8.340 0.100 17780 1726 1 3 . 1 1 100 100 VAL N N 189 122.934 122.934 121.248 1.686 17780 1727 1 3 . 1 1 100 100 VAL HA H 189 3.838 3.838 3.769 0.069 17780 1728 1 3 . 1 1 100 100 VAL CA C 189 65.832 65.832 65.506 0.326 17780 1729 1 3 . 1 1 100 100 VAL CB C 189 31.897 31.897 32.030 -0.133 17780 1730 1 3 . 1 1 100 100 VAL H H 189 8.057 8.057 8.062 -0.005 17780 1731 1 3 . 1 1 101 101 THR N N 190 115.101 115.101 113.035 2.066 17780 1732 1 3 . 1 1 101 101 THR HA H 190 4.140 4.140 4.104 0.036 17780 1733 1 3 . 1 1 101 101 THR CA C 190 64.907 64.907 66.587 -1.680 17780 1734 1 3 . 1 1 101 101 THR CB C 190 69.041 69.041 67.993 1.048 17780 1735 1 3 . 1 1 101 101 THR H H 190 8.131 8.131 7.801 0.330 17780 1736 1 3 . 1 1 102 102 THR N N 191 114.546 114.546 119.286 -4.740 17780 1737 1 3 . 1 1 102 102 THR HA H 191 4.092 4.092 3.879 0.213 17780 1738 1 3 . 1 1 102 102 THR CA C 191 64.801 64.801 67.894 -3.093 17780 1739 1 3 . 1 1 102 102 THR CB C 191 69.145 69.145 68.166 0.979 17780 1740 1 3 . 1 1 102 102 THR H H 191 8.011 8.011 8.105 -0.094 17780 1741 1 3 . 1 1 103 103 THR N N 192 117.876 117.876 114.224 3.652 17780 1742 1 3 . 1 1 103 103 THR HA H 192 4.373 4.373 4.619 -0.246 17780 1743 1 3 . 1 1 103 103 THR CA C 192 64.935 64.935 65.329 -0.394 17780 1744 1 3 . 1 1 103 103 THR CB C 192 69.043 69.043 68.214 0.829 17780 1745 1 3 . 1 1 103 103 THR H H 192 8.224 8.224 7.599 0.625 17780 1746 1 3 . 1 1 104 104 THR N N 193 116.232 116.232 117.901 -1.669 17780 1747 1 3 . 1 1 104 104 THR HA H 193 4.204 4.204 4.103 0.101 17780 1748 1 3 . 1 1 104 104 THR CA C 193 64.311 64.311 65.419 -1.108 17780 1749 1 3 . 1 1 104 104 THR CB C 193 68.981 68.981 68.738 0.243 17780 1750 1 3 . 1 1 104 104 THR H H 193 7.805 7.805 7.633 0.172 17780 1751 1 3 . 1 1 105 105 LYS N N 194 119.843 119.843 118.812 1.031 17780 1752 1 3 . 1 1 105 105 LYS HA H 194 4.384 4.384 4.363 0.021 17780 1753 1 3 . 1 1 105 105 LYS CA C 194 56.220 56.220 55.435 0.784 17780 1754 1 3 . 1 1 105 105 LYS CB C 194 32.527 32.527 32.322 0.205 17780 1755 1 3 . 1 1 105 105 LYS H H 194 7.504 7.504 7.762 -0.258 17780 1756 1 3 . 1 1 106 106 GLY N N 195 107.946 107.946 107.679 0.267 17780 1757 1 3 . 1 1 106 106 GLY CA C 195 45.431 45.431 45.223 0.208 17780 1758 1 3 . 1 1 106 106 GLY H H 195 7.924 7.924 7.615 0.309 17780 1759 1 3 . 1 1 107 107 GLU N N 196 120.063 120.063 120.093 -0.030 17780 1760 1 3 . 1 1 107 107 GLU HA H 196 4.255 4.255 4.643 -0.388 17780 1761 1 3 . 1 1 107 107 GLU CA C 196 55.597 55.597 54.825 0.772 17780 1762 1 3 . 1 1 107 107 GLU CB C 196 31.073 31.073 32.587 -1.514 17780 1763 1 3 . 1 1 107 107 GLU H H 196 7.465 7.465 8.247 -0.782 17780 1764 1 3 . 1 1 108 108 ASN N N 197 119.350 119.350 119.636 -0.286 17780 1765 1 3 . 1 1 108 108 ASN HA H 197 4.657 4.657 5.080 -0.423 17780 1766 1 3 . 1 1 108 108 ASN CA C 197 52.673 52.673 52.948 -0.275 17780 1767 1 3 . 1 1 108 108 ASN CB C 197 40.827 40.827 40.258 0.569 17780 1768 1 3 . 1 1 108 108 ASN H H 197 8.458 8.458 8.550 -0.092 17780 1769 1 3 . 1 1 109 109 PHE N N 198 121.688 121.688 121.258 0.430 17780 1770 1 3 . 1 1 109 109 PHE HA H 198 5.317 5.317 4.873 0.444 17780 1771 1 3 . 1 1 109 109 PHE CA C 198 56.571 56.571 56.378 0.193 17780 1772 1 3 . 1 1 109 109 PHE CB C 198 40.093 40.093 42.774 -2.681 17780 1773 1 3 . 1 1 109 109 PHE H H 198 8.709 8.709 8.847 -0.138 17780 1774 1 3 . 1 1 110 110 THR N N 199 115.904 115.904 115.292 0.612 17780 1775 1 3 . 1 1 110 110 THR HA H 199 4.624 4.624 4.626 -0.002 17780 1776 1 3 . 1 1 110 110 THR CA C 199 60.343 60.343 61.351 -1.008 17780 1777 1 3 . 1 1 110 110 THR CB C 199 72.033 72.033 70.598 1.435 17780 1778 1 3 . 1 1 110 110 THR H H 199 9.547 9.547 8.986 0.561 17780 1779 1 3 . 1 1 111 111 GLU N N 200 119.988 119.988 121.294 -1.306 17780 1780 1 3 . 1 1 111 111 GLU HA H 200 4.067 4.067 4.037 0.030 17780 1781 1 3 . 1 1 111 111 GLU CA C 200 60.027 60.027 59.734 0.293 17780 1782 1 3 . 1 1 111 111 GLU CB C 200 28.976 28.976 28.815 0.161 17780 1783 1 3 . 1 1 111 111 GLU H H 200 9.132 9.132 8.967 0.165 17780 1784 1 3 . 1 1 112 112 THR N N 201 116.221 116.221 116.120 0.101 17780 1785 1 3 . 1 1 112 112 THR HA H 201 3.796 3.796 4.081 -0.285 17780 1786 1 3 . 1 1 112 112 THR CA C 201 66.781 66.781 66.381 0.400 17780 1787 1 3 . 1 1 112 112 THR CB C 201 68.581 68.581 68.504 0.076 17780 1788 1 3 . 1 1 112 112 THR H H 201 7.934 7.934 8.097 -0.163 17780 1789 1 3 . 1 1 113 113 ASP N N 202 120.001 120.001 123.027 -3.026 17780 1790 1 3 . 1 1 113 113 ASP HA H 202 4.598 4.598 4.586 0.012 17780 1791 1 3 . 1 1 113 113 ASP CA C 202 57.984 57.984 58.104 -0.120 17780 1792 1 3 . 1 1 113 113 ASP CB C 202 41.756 41.756 41.074 0.682 17780 1793 1 3 . 1 1 113 113 ASP H H 202 7.503 7.503 8.154 -0.651 17780 1794 1 3 . 1 1 114 114 VAL N N 203 119.529 119.529 119.211 0.318 17780 1795 1 3 . 1 1 114 114 VAL HA H 203 3.279 3.279 3.564 -0.285 17780 1796 1 3 . 1 1 114 114 VAL CA C 203 67.817 67.817 66.026 1.791 17780 1797 1 3 . 1 1 114 114 VAL CB C 203 31.528 31.528 31.141 0.387 17780 1798 1 3 . 1 1 114 114 VAL H H 203 8.209 8.209 7.736 0.473 17780 1799 1 3 . 1 1 115 115 LYS N N 204 119.051 119.051 120.207 -1.156 17780 1800 1 3 . 1 1 115 115 LYS HA H 204 4.082 4.082 4.288 -0.206 17780 1801 1 3 . 1 1 115 115 LYS CA C 204 59.268 59.268 59.353 -0.085 17780 1802 1 3 . 1 1 115 115 LYS CB C 204 31.979 31.979 32.603 -0.624 17780 1803 1 3 . 1 1 115 115 LYS H H 204 7.714 7.714 8.000 -0.285 17780 1804 1 3 . 1 1 116 116 MET N N 205 118.581 118.581 117.179 1.402 17780 1805 1 3 . 1 1 116 116 MET HA H 205 4.167 4.167 4.494 -0.327 17780 1806 1 3 . 1 1 116 116 MET CA C 205 59.984 59.984 58.731 1.253 17780 1807 1 3 . 1 1 116 116 MET CB C 205 32.933 32.933 32.956 -0.023 17780 1808 1 3 . 1 1 116 116 MET H H 205 8.182 8.182 8.234 -0.052 17780 1809 1 3 . 1 1 117 117 MET N N 206 118.259 118.259 118.277 -0.018 17780 1810 1 3 . 1 1 117 117 MET HA H 206 3.561 3.561 4.098 -0.537 17780 1811 1 3 . 1 1 117 117 MET CA C 206 59.967 59.967 58.466 1.501 17780 1812 1 3 . 1 1 117 117 MET CB C 206 33.824 33.824 31.616 2.208 17780 1813 1 3 . 1 1 117 117 MET H H 206 8.691 8.691 8.082 0.609 17780 1814 1 3 . 1 1 118 118 GLU N N 207 118.878 118.878 120.102 -1.224 17780 1815 1 3 . 1 1 118 118 GLU HA H 207 3.658 3.658 3.904 -0.246 17780 1816 1 3 . 1 1 118 118 GLU CA C 207 60.702 60.702 59.389 1.313 17780 1817 1 3 . 1 1 118 118 GLU CB C 207 29.000 29.000 29.301 -0.301 17780 1818 1 3 . 1 1 118 118 GLU H H 207 8.544 8.544 8.012 0.532 17780 1819 1 3 . 1 1 119 119 ARG N N 208 116.694 116.694 117.623 -0.929 17780 1820 1 3 . 1 1 119 119 ARG HA H 208 4.228 4.228 4.084 0.144 17780 1821 1 3 . 1 1 119 119 ARG CA C 208 58.554 58.554 58.612 -0.058 17780 1822 1 3 . 1 1 119 119 ARG CB C 208 30.136 30.136 29.772 0.364 17780 1823 1 3 . 1 1 119 119 ARG H H 208 7.289 7.289 7.750 -0.461 17780 1824 1 3 . 1 1 120 120 VAL N N 209 119.035 119.035 116.588 2.447 17780 1825 1 3 . 1 1 120 120 VAL HA H 209 3.837 3.837 4.042 -0.205 17780 1826 1 3 . 1 1 120 120 VAL CA C 209 65.766 65.766 65.387 0.379 17780 1827 1 3 . 1 1 120 120 VAL CB C 209 32.213 32.213 31.517 0.696 17780 1828 1 3 . 1 1 120 120 VAL H H 209 8.279 8.279 7.383 0.896 17780 1829 1 3 . 1 1 121 121 VAL N N 210 121.668 121.668 116.205 5.463 17780 1830 1 3 . 1 1 121 121 VAL HA H 210 3.597 3.597 3.777 -0.180 17780 1831 1 3 . 1 1 121 121 VAL CA C 210 66.639 66.639 65.767 0.872 17780 1832 1 3 . 1 1 121 121 VAL CB C 210 31.097 31.097 30.824 0.273 17780 1833 1 3 . 1 1 121 121 VAL H H 210 9.183 9.183 7.476 1.707 17780 1834 1 3 . 1 1 122 122 GLU N N 211 120.770 120.770 120.501 0.269 17780 1835 1 3 . 1 1 122 122 GLU HA H 211 3.603 3.603 3.839 -0.236 17780 1836 1 3 . 1 1 122 122 GLU CA C 211 61.132 61.132 60.050 1.082 17780 1837 1 3 . 1 1 122 122 GLU CB C 211 29.153 29.153 28.980 0.173 17780 1838 1 3 . 1 1 122 122 GLU H H 211 8.041 8.041 7.721 0.320 17780 1839 1 3 . 1 1 123 123 GLN N N 212 114.580 114.580 117.365 -2.785 17780 1840 1 3 . 1 1 123 123 GLN HA H 212 3.662 3.662 4.134 -0.472 17780 1841 1 3 . 1 1 123 123 GLN CA C 212 58.509 58.509 57.836 0.673 17780 1842 1 3 . 1 1 123 123 GLN CB C 212 27.824 27.824 27.989 -0.165 17780 1843 1 3 . 1 1 123 123 GLN H H 212 7.096 7.096 7.961 -0.865 17780 1844 1 3 . 1 1 124 124 MET N N 213 119.748 119.748 120.966 -1.218 17780 1845 1 3 . 1 1 124 124 MET HA H 213 4.167 4.167 4.266 -0.099 17780 1846 1 3 . 1 1 124 124 MET CA C 213 59.928 59.928 58.963 0.965 17780 1847 1 3 . 1 1 124 124 MET CB C 213 34.529 34.529 32.701 1.828 17780 1848 1 3 . 1 1 124 124 MET H H 213 8.145 8.145 7.824 0.321 17780 1849 1 3 . 1 1 125 125 CYS N N 214 119.538 119.538 119.358 0.180 17780 1850 1 3 . 1 1 125 125 CYS HA H 214 4.427 4.427 4.241 0.186 17780 1851 1 3 . 1 1 125 125 CYS CA C 214 59.838 59.838 62.142 -2.304 17780 1852 1 3 . 1 1 125 125 CYS CB C 214 41.798 41.798 25.592 16.206 17780 1853 1 3 . 1 1 125 125 CYS H H 214 9.275 9.275 8.079 1.196 17780 1854 1 3 . 1 1 126 126 ILE N N 215 123.982 123.982 120.800 3.182 17780 1855 1 3 . 1 1 126 126 ILE HA H 215 3.579 3.579 3.847 -0.268 17780 1856 1 3 . 1 1 126 126 ILE CA C 215 66.649 66.649 65.534 1.115 17780 1857 1 3 . 1 1 126 126 ILE CB C 215 38.152 38.152 37.922 0.230 17780 1858 1 3 . 1 1 126 126 ILE H H 215 8.434 8.434 7.661 0.773 17780 1859 1 3 . 1 1 127 127 THR N N 216 118.728 118.728 116.522 2.206 17780 1860 1 3 . 1 1 127 127 THR HA H 216 3.835 3.835 3.973 -0.138 17780 1861 1 3 . 1 1 127 127 THR CA C 216 67.425 67.425 67.103 0.322 17780 1862 1 3 . 1 1 127 127 THR CB C 216 68.035 68.035 68.333 -0.298 17780 1863 1 3 . 1 1 127 127 THR H H 216 8.097 8.097 7.936 0.161 17780 1864 1 3 . 1 1 128 128 GLN N N 217 122.368 122.368 120.922 1.446 17780 1865 1 3 . 1 1 128 128 GLN HA H 217 3.662 3.662 4.206 -0.544 17780 1866 1 3 . 1 1 128 128 GLN CA C 217 58.462 58.462 58.341 0.121 17780 1867 1 3 . 1 1 128 128 GLN CB C 217 28.075 28.075 28.525 -0.450 17780 1868 1 3 . 1 1 128 128 GLN H H 217 8.637 8.637 7.688 0.949 17780 1869 1 3 . 1 1 129 129 TYR N N 218 121.512 121.512 122.909 -1.397 17780 1870 1 3 . 1 1 129 129 TYR HA H 218 2.929 2.929 3.969 -1.040 17780 1871 1 3 . 1 1 129 129 TYR CA C 218 61.904 61.904 61.791 0.113 17780 1872 1 3 . 1 1 129 129 TYR CB C 218 37.075 37.075 38.427 -1.352 17780 1873 1 3 . 1 1 129 129 TYR H H 218 8.705 8.705 9.015 -0.310 17780 1874 1 3 . 1 1 130 130 LYS N N 219 120.801 120.801 117.498 3.303 17780 1875 1 3 . 1 1 130 130 LYS HA H 219 3.667 3.667 3.809 -0.142 17780 1876 1 3 . 1 1 130 130 LYS CA C 219 60.001 60.001 57.712 2.289 17780 1877 1 3 . 1 1 130 130 LYS CB C 219 31.732 31.732 31.681 0.051 17780 1878 1 3 . 1 1 130 130 LYS H H 219 8.232 8.232 8.415 -0.183 17780 1879 1 3 . 1 1 131 131 ARG HA H 220 3.978 3.978 3.922 0.056 17780 1880 1 3 . 1 1 131 131 ARG CA C 220 59.013 59.013 59.551 -0.538 17780 1881 1 3 . 1 1 131 131 ARG CB C 220 30.028 30.028 30.233 -0.205 17780 1882 1 3 . 1 1 132 132 GLU N N 221 119.690 119.690 117.965 1.725 17780 1883 1 3 . 1 1 132 132 GLU HA H 221 4.035 4.035 4.084 -0.049 17780 1884 1 3 . 1 1 132 132 GLU CA C 221 58.006 58.006 58.238 -0.232 17780 1885 1 3 . 1 1 132 132 GLU CB C 221 29.270 29.270 28.873 0.397 17780 1886 1 3 . 1 1 132 132 GLU H H 221 8.521 8.521 8.474 0.047 17780 1887 1 3 . 1 1 133 133 SER N N 222 115.963 115.963 114.686 1.277 17780 1888 1 3 . 1 1 133 133 SER HA H 222 3.884 3.884 3.862 0.022 17780 1889 1 3 . 1 1 133 133 SER CA C 222 61.500 61.500 61.457 0.043 17780 1890 1 3 . 1 1 133 133 SER CB C 222 62.207 62.207 61.916 0.291 17780 1891 1 3 . 1 1 133 133 SER H H 222 8.543 8.543 8.123 0.420 17780 1892 1 3 . 1 1 134 134 GLN N N 223 120.695 120.695 121.163 -0.468 17780 1893 1 3 . 1 1 134 134 GLN HA H 223 4.152 4.152 3.574 0.578 17780 1894 1 3 . 1 1 134 134 GLN CA C 223 58.646 58.646 58.169 0.477 17780 1895 1 3 . 1 1 134 134 GLN CB C 223 28.299 28.299 28.231 0.068 17780 1896 1 3 . 1 1 134 134 GLN H H 223 7.486 7.486 7.328 0.158 17780 1897 1 3 . 1 1 135 135 ALA N N 224 120.905 120.905 121.223 -0.318 17780 1898 1 3 . 1 1 135 135 ALA HA H 224 4.169 4.169 4.096 0.073 17780 1899 1 3 . 1 1 135 135 ALA CA C 224 54.404 54.404 54.444 -0.040 17780 1900 1 3 . 1 1 135 135 ALA CB C 224 18.233 18.233 18.114 0.119 17780 1901 1 3 . 1 1 135 135 ALA H H 224 7.497 7.497 7.244 0.253 17780 1902 1 3 . 1 1 136 136 TYR N N 225 119.969 119.969 120.385 -0.416 17780 1903 1 3 . 1 1 136 136 TYR HA H 225 4.080 4.080 4.115 -0.035 17780 1904 1 3 . 1 1 136 136 TYR CA C 225 61.060 61.060 61.202 -0.142 17780 1905 1 3 . 1 1 136 136 TYR CB C 225 39.008 39.008 38.586 0.422 17780 1906 1 3 . 1 1 136 136 TYR H H 225 8.215 8.215 7.782 0.433 17780 1907 1 3 . 1 1 137 137 TYR N N 226 117.988 117.988 117.405 0.583 17780 1908 1 3 . 1 1 137 137 TYR HA H 226 4.319 4.319 4.067 0.252 17780 1909 1 3 . 1 1 137 137 TYR CA C 226 59.543 59.543 58.751 0.792 17780 1910 1 3 . 1 1 137 137 TYR CB C 226 37.769 37.769 36.605 1.164 17780 1911 1 3 . 1 1 137 137 TYR H H 226 8.022 8.022 8.307 -0.285 17780 1912 1 3 . 1 1 138 138 GLN N N 227 118.911 118.911 118.430 0.481 17780 1913 1 3 . 1 1 138 138 GLN HA H 227 4.189 4.189 4.067 0.122 17780 1914 1 3 . 1 1 138 138 GLN CA C 227 57.002 57.002 57.836 -0.834 17780 1915 1 3 . 1 1 138 138 GLN CB C 227 28.740 28.740 27.714 1.026 17780 1916 1 3 . 1 1 138 138 GLN H H 227 7.838 7.838 7.621 0.217 17780 1917 1 3 . 1 1 139 139 ARG N N 228 119.910 119.910 118.759 1.151 17780 1918 1 3 . 1 1 139 139 ARG HA H 228 4.207 4.207 4.131 0.076 17780 1919 1 3 . 1 1 139 139 ARG CA C 228 57.338 57.338 57.047 0.291 17780 1920 1 3 . 1 1 139 139 ARG CB C 228 30.390 30.390 30.142 0.248 17780 1921 1 3 . 1 1 139 139 ARG H H 228 7.862 7.862 7.918 -0.056 17780 1922 1 3 . 1 1 140 140 GLY N N 229 108.627 108.627 105.467 3.160 17780 1923 1 3 . 1 1 140 140 GLY CA C 229 45.477 45.477 45.280 0.197 17780 1924 1 3 . 1 1 140 140 GLY H H 229 8.092 8.092 7.844 0.248 17780 1925 1 3 . 1 1 141 141 SER N N 230 115.141 115.141 116.189 -1.048 17780 1926 1 3 . 1 1 141 141 SER HA H 230 4.330 4.330 4.912 -0.582 17780 1927 1 3 . 1 1 141 141 SER CA C 230 58.650 58.650 57.435 1.215 17780 1928 1 3 . 1 1 141 141 SER CB C 230 63.641 63.641 65.738 -2.097 17780 1929 1 3 . 1 1 141 141 SER H H 230 8.050 8.050 7.565 0.485 17780 1930 1 4 . 1 1 2 2 GLN N N 91 119.729 119.729 119.557 0.172 17780 1931 1 4 . 1 1 2 2 GLN HA H 91 4.407 4.407 4.507 -0.100 17780 1932 1 4 . 1 1 2 2 GLN CA C 91 55.969 55.969 56.308 -0.339 17780 1933 1 4 . 1 1 2 2 GLN CB C 91 29.576 29.576 29.786 -0.210 17780 1934 1 4 . 1 1 2 2 GLN H H 91 8.267 8.267 8.244 0.023 17780 1935 1 4 . 1 1 3 3 GLY N N 92 110.081 110.081 107.550 2.531 17780 1936 1 4 . 1 1 3 3 GLY CA C 92 45.115 45.115 44.914 0.201 17780 1937 1 4 . 1 1 3 3 GLY H H 92 8.515 8.515 8.595 -0.080 17780 1938 1 4 . 1 1 4 4 GLY N N 93 108.748 108.748 108.292 0.456 17780 1939 1 4 . 1 1 4 4 GLY CA C 93 45.228 45.228 43.948 1.280 17780 1940 1 4 . 1 1 4 4 GLY H H 93 8.331 8.331 8.424 -0.093 17780 1941 1 4 . 1 1 5 5 GLY N N 94 108.857 108.857 108.024 0.833 17780 1942 1 4 . 1 1 5 5 GLY CA C 94 45.172 45.172 45.638 -0.466 17780 1943 1 4 . 1 1 5 5 GLY H H 94 8.362 8.362 8.663 -0.301 17780 1944 1 4 . 1 1 6 6 THR N N 95 113.538 113.538 116.290 -2.752 17780 1945 1 4 . 1 1 6 6 THR HA H 95 4.282 4.282 4.217 0.065 17780 1946 1 4 . 1 1 6 6 THR CA C 95 61.906 61.906 62.673 -0.767 17780 1947 1 4 . 1 1 6 6 THR CB C 95 69.711 69.711 69.796 -0.085 17780 1948 1 4 . 1 1 6 6 THR H H 95 8.129 8.129 7.760 0.369 17780 1949 1 4 . 1 1 7 7 HIS N N 96 121.027 121.027 123.182 -2.155 17780 1950 1 4 . 1 1 7 7 HIS HA H 96 4.713 4.713 4.776 -0.063 17780 1951 1 4 . 1 1 7 7 HIS CA C 96 55.169 55.169 55.710 -0.541 17780 1952 1 4 . 1 1 7 7 HIS CB C 96 29.575 29.575 30.224 -0.649 17780 1953 1 4 . 1 1 7 7 HIS H H 96 8.497 8.497 8.534 -0.037 17780 1954 1 4 . 1 1 8 8 SER N N 97 117.031 117.031 123.014 -5.983 17780 1955 1 4 . 1 1 8 8 SER HA H 97 4.405 4.405 4.574 -0.169 17780 1956 1 4 . 1 1 8 8 SER CA C 97 58.379 58.379 58.094 0.285 17780 1957 1 4 . 1 1 8 8 SER CB C 97 63.535 63.535 63.386 0.149 17780 1958 1 4 . 1 1 8 8 SER H H 97 8.275 8.275 8.563 -0.288 17780 1959 1 4 . 1 1 9 9 GLN N N 98 122.084 122.084 124.958 -2.874 17780 1960 1 4 . 1 1 9 9 GLN HA H 98 4.279 4.279 4.512 -0.233 17780 1961 1 4 . 1 1 9 9 GLN CA C 98 55.970 55.970 55.686 0.284 17780 1962 1 4 . 1 1 9 9 GLN CB C 98 29.157 29.157 30.025 -0.868 17780 1963 1 4 . 1 1 9 9 GLN H H 98 8.462 8.462 8.143 0.319 17780 1964 1 4 . 1 1 10 10 TRP N N 99 121.630 121.630 127.650 -6.020 17780 1965 1 4 . 1 1 10 10 TRP HA H 99 4.676 4.676 4.867 -0.191 17780 1966 1 4 . 1 1 10 10 TRP CA C 99 57.046 57.046 57.003 0.043 17780 1967 1 4 . 1 1 10 10 TRP CB C 99 29.440 29.440 31.032 -1.592 17780 1968 1 4 . 1 1 10 10 TRP H H 99 8.086 8.086 8.445 -0.359 17780 1969 1 4 . 1 1 11 11 ASN N N 100 120.591 120.591 121.016 -0.425 17780 1970 1 4 . 1 1 11 11 ASN HA H 100 4.602 4.602 4.348 0.254 17780 1971 1 4 . 1 1 11 11 ASN CA C 100 52.675 52.675 51.686 0.989 17780 1972 1 4 . 1 1 11 11 ASN CB C 100 38.781 38.781 40.765 -1.984 17780 1973 1 4 . 1 1 11 11 ASN H H 100 8.095 8.095 7.687 0.408 17780 1974 1 4 . 1 1 12 12 LYS N N 101 122.656 122.656 119.132 3.524 17780 1975 1 4 . 1 1 12 12 LYS HA H 101 4.435 4.435 4.291 0.144 17780 1976 1 4 . 1 1 12 12 LYS CA C 101 54.139 54.139 53.802 0.337 17780 1977 1 4 . 1 1 12 12 LYS CB C 101 32.474 32.474 32.682 -0.208 17780 1978 1 4 . 1 1 12 12 LYS H H 101 7.985 7.985 7.985 -0.000 17780 1979 1 4 . 1 1 13 13 PRO HA H 102 4.425 4.425 4.441 -0.016 17780 1980 1 4 . 1 1 13 13 PRO CA C 102 63.065 63.065 64.019 -0.954 17780 1981 1 4 . 1 1 13 13 PRO CB C 102 32.056 32.056 32.250 -0.194 17780 1982 1 4 . 1 1 14 14 SER N N 103 116.881 116.881 114.667 2.214 17780 1983 1 4 . 1 1 14 14 SER HA H 103 4.430 4.430 4.558 -0.128 17780 1984 1 4 . 1 1 14 14 SER CA C 103 57.973 57.973 57.657 0.315 17780 1985 1 4 . 1 1 14 14 SER CB C 103 63.669 63.669 63.715 -0.046 17780 1986 1 4 . 1 1 14 14 SER H H 103 8.420 8.420 7.711 0.709 17780 1987 1 4 . 1 1 15 15 LYS N N 104 124.163 124.163 120.203 3.960 17780 1988 1 4 . 1 1 15 15 LYS HA H 104 4.620 4.620 4.138 0.482 17780 1989 1 4 . 1 1 15 15 LYS CA C 104 54.160 54.160 56.552 -2.392 17780 1990 1 4 . 1 1 15 15 LYS CB C 104 32.606 32.606 31.798 0.808 17780 1991 1 4 . 1 1 15 15 LYS H H 104 8.321 8.321 8.313 0.008 17780 1992 1 4 . 1 1 16 16 PRO HA H 105 4.412 4.412 4.724 -0.312 17780 1993 1 4 . 1 1 16 16 PRO CA C 105 63.012 63.012 62.920 0.092 17780 1994 1 4 . 1 1 16 16 PRO CB C 105 32.152 32.152 32.534 -0.382 17780 1995 1 4 . 1 1 17 17 LYS N N 106 122.072 122.072 120.965 1.107 17780 1996 1 4 . 1 1 17 17 LYS HA H 106 4.338 4.338 4.460 -0.122 17780 1997 1 4 . 1 1 17 17 LYS CA C 106 56.299 56.299 56.281 0.018 17780 1998 1 4 . 1 1 17 17 LYS CB C 106 32.928 32.928 32.497 0.431 17780 1999 1 4 . 1 1 17 17 LYS H H 106 8.516 8.516 8.581 -0.065 17780 2000 1 4 . 1 1 18 18 THR N N 107 115.252 115.252 113.697 1.555 17780 2001 1 4 . 1 1 18 18 THR HA H 107 4.323 4.323 4.643 -0.320 17780 2002 1 4 . 1 1 18 18 THR CA C 107 61.523 61.523 60.712 0.810 17780 2003 1 4 . 1 1 18 18 THR CB C 107 69.778 69.778 70.820 -1.042 17780 2004 1 4 . 1 1 18 18 THR H H 107 8.133 8.133 8.083 0.050 17780 2005 1 4 . 1 1 19 19 ASN N N 108 121.344 121.344 118.746 2.598 17780 2006 1 4 . 1 1 19 19 ASN HA H 108 4.712 4.712 4.775 -0.063 17780 2007 1 4 . 1 1 19 19 ASN CA C 108 53.019 53.019 53.281 -0.262 17780 2008 1 4 . 1 1 19 19 ASN CB C 108 38.728 38.728 39.621 -0.893 17780 2009 1 4 . 1 1 19 19 ASN H H 108 8.537 8.537 8.710 -0.173 17780 2010 1 4 . 1 1 20 20 MET N N 109 121.309 121.309 121.256 0.053 17780 2011 1 4 . 1 1 20 20 MET HA H 109 4.437 4.437 4.572 -0.135 17780 2012 1 4 . 1 1 20 20 MET CA C 109 55.446 55.446 54.518 0.928 17780 2013 1 4 . 1 1 20 20 MET CB C 109 32.809 32.809 30.382 2.427 17780 2014 1 4 . 1 1 20 20 MET H H 109 8.346 8.346 8.007 0.339 17780 2015 1 4 . 1 1 21 21 LYS N N 110 122.292 122.292 121.801 0.491 17780 2016 1 4 . 1 1 21 21 LYS HA H 110 4.237 4.237 4.305 -0.068 17780 2017 1 4 . 1 1 21 21 LYS CA C 110 56.394 56.394 56.523 -0.129 17780 2018 1 4 . 1 1 21 21 LYS CB C 110 32.923 32.923 32.966 -0.043 17780 2019 1 4 . 1 1 21 21 LYS H H 110 8.300 8.300 8.610 -0.310 17780 2020 1 4 . 1 1 22 22 HIS N N 111 120.193 120.193 117.458 2.735 17780 2021 1 4 . 1 1 22 22 HIS HA H 111 4.642 4.642 4.855 -0.213 17780 2022 1 4 . 1 1 22 22 HIS CA C 111 55.391 55.391 55.243 0.148 17780 2023 1 4 . 1 1 22 22 HIS CB C 111 29.501 29.501 32.018 -2.517 17780 2024 1 4 . 1 1 22 22 HIS H H 111 8.406 8.406 7.675 0.731 17780 2025 1 4 . 1 1 23 23 MET N N 112 122.529 122.529 119.046 3.483 17780 2026 1 4 . 1 1 23 23 MET HA H 112 4.464 4.464 4.838 -0.374 17780 2027 1 4 . 1 1 23 23 MET CA C 112 55.125 55.125 55.378 -0.253 17780 2028 1 4 . 1 1 23 23 MET CB C 112 32.930 32.930 32.995 -0.065 17780 2029 1 4 . 1 1 23 23 MET H H 112 8.326 8.326 8.383 -0.057 17780 2030 1 4 . 1 1 24 24 ALA N N 113 125.642 125.642 124.355 1.287 17780 2031 1 4 . 1 1 24 24 ALA HA H 113 4.315 4.315 4.644 -0.329 17780 2032 1 4 . 1 1 24 24 ALA CA C 113 52.521 52.521 52.587 -0.066 17780 2033 1 4 . 1 1 24 24 ALA CB C 113 19.181 19.181 20.287 -1.106 17780 2034 1 4 . 1 1 24 24 ALA H H 113 8.370 8.370 7.993 0.377 17780 2035 1 4 . 1 1 25 25 GLY N N 114 108.473 108.473 107.947 0.526 17780 2036 1 4 . 1 1 25 25 GLY CA C 114 45.175 45.175 44.957 0.218 17780 2037 1 4 . 1 1 25 25 GLY H H 114 8.373 8.373 8.152 0.221 17780 2038 1 4 . 1 1 26 26 ALA N N 115 123.872 123.872 122.105 1.767 17780 2039 1 4 . 1 1 26 26 ALA HA H 115 4.316 4.316 4.711 -0.395 17780 2040 1 4 . 1 1 26 26 ALA CA C 115 52.496 52.496 52.231 0.265 17780 2041 1 4 . 1 1 26 26 ALA CB C 115 19.181 19.181 19.593 -0.412 17780 2042 1 4 . 1 1 26 26 ALA H H 115 8.134 8.134 7.931 0.203 17780 2043 1 4 . 1 1 27 27 ALA N N 116 123.172 123.172 123.444 -0.272 17780 2044 1 4 . 1 1 27 27 ALA HA H 116 4.287 4.287 4.767 -0.480 17780 2045 1 4 . 1 1 27 27 ALA CA C 116 52.464 52.464 51.973 0.491 17780 2046 1 4 . 1 1 27 27 ALA CB C 116 19.180 19.180 20.280 -1.100 17780 2047 1 4 . 1 1 27 27 ALA H H 116 8.268 8.268 8.302 -0.034 17780 2048 1 4 . 1 1 28 28 ALA N N 117 123.253 123.253 122.183 1.070 17780 2049 1 4 . 1 1 28 28 ALA HA H 117 4.277 4.277 5.359 -1.082 17780 2050 1 4 . 1 1 28 28 ALA CA C 117 52.383 52.383 52.092 0.291 17780 2051 1 4 . 1 1 28 28 ALA CB C 117 19.156 19.156 20.731 -1.575 17780 2052 1 4 . 1 1 28 28 ALA H H 117 8.169 8.169 10.420 -2.251 17780 2053 1 4 . 1 1 29 29 ALA N N 118 123.225 123.225 122.116 1.109 17780 2054 1 4 . 1 1 29 29 ALA HA H 118 4.282 4.282 4.568 -0.286 17780 2055 1 4 . 1 1 29 29 ALA CA C 118 52.469 52.469 51.748 0.721 17780 2056 1 4 . 1 1 29 29 ALA CB C 118 19.129 19.129 19.911 -0.782 17780 2057 1 4 . 1 1 29 29 ALA H H 118 8.204 8.204 8.340 -0.136 17780 2058 1 4 . 1 1 30 30 GLY N N 119 107.906 107.906 106.885 1.021 17780 2059 1 4 . 1 1 30 30 GLY CA C 119 45.089 45.089 45.039 0.049 17780 2060 1 4 . 1 1 30 30 GLY H H 119 8.271 8.271 8.432 -0.161 17780 2061 1 4 . 1 1 31 31 ALA N N 120 123.540 123.540 125.103 -1.563 17780 2062 1 4 . 1 1 31 31 ALA HA H 120 4.339 4.339 4.474 -0.135 17780 2063 1 4 . 1 1 31 31 ALA CA C 120 52.282 52.282 52.461 -0.179 17780 2064 1 4 . 1 1 31 31 ALA CB C 120 19.432 19.432 19.395 0.037 17780 2065 1 4 . 1 1 31 31 ALA H H 120 8.039 8.039 7.863 0.176 17780 2066 1 4 . 1 1 32 32 VAL N N 121 119.579 119.579 113.377 6.202 17780 2067 1 4 . 1 1 32 32 VAL HA H 121 4.117 4.117 3.832 0.285 17780 2068 1 4 . 1 1 32 32 VAL CA C 121 62.142 62.142 63.178 -1.036 17780 2069 1 4 . 1 1 32 32 VAL CB C 121 32.673 32.673 29.773 2.900 17780 2070 1 4 . 1 1 32 32 VAL H H 121 8.109 8.109 8.686 -0.577 17780 2071 1 4 . 1 1 33 33 VAL N N 122 124.655 124.655 121.862 2.793 17780 2072 1 4 . 1 1 33 33 VAL HA H 122 4.081 4.081 4.008 0.073 17780 2073 1 4 . 1 1 33 33 VAL CA C 122 62.430 62.430 64.132 -1.702 17780 2074 1 4 . 1 1 33 33 VAL CB C 122 32.675 32.675 31.420 1.255 17780 2075 1 4 . 1 1 33 33 VAL H H 122 8.262 8.262 7.291 0.971 17780 2076 1 4 . 1 1 34 34 GLY N N 123 113.165 113.165 112.040 1.125 17780 2077 1 4 . 1 1 34 34 GLY CA C 123 45.264 45.264 44.875 0.389 17780 2078 1 4 . 1 1 34 34 GLY H H 123 8.528 8.528 8.793 -0.265 17780 2079 1 4 . 1 1 35 35 GLY N N 124 108.440 108.440 107.973 0.467 17780 2080 1 4 . 1 1 35 35 GLY CA C 124 45.264 45.264 44.830 0.434 17780 2081 1 4 . 1 1 35 35 GLY H H 124 8.245 8.245 8.428 -0.183 17780 2082 1 4 . 1 1 36 36 LEU N N 125 121.679 121.679 122.055 -0.376 17780 2083 1 4 . 1 1 36 36 LEU HA H 125 4.340 4.340 4.390 -0.050 17780 2084 1 4 . 1 1 36 36 LEU CA C 125 54.808 54.808 56.028 -1.220 17780 2085 1 4 . 1 1 36 36 LEU CB C 125 42.417 42.417 42.151 0.266 17780 2086 1 4 . 1 1 36 36 LEU H H 125 8.233 8.233 7.892 0.341 17780 2087 1 4 . 1 1 37 37 GLY N N 126 109.818 109.818 106.905 2.913 17780 2088 1 4 . 1 1 37 37 GLY CA C 126 46.266 46.266 45.607 0.659 17780 2089 1 4 . 1 1 37 37 GLY H H 126 8.511 8.511 8.684 -0.173 17780 2090 1 4 . 1 1 38 38 GLY N N 127 109.485 109.485 108.810 0.675 17780 2091 1 4 . 1 1 38 38 GLY CA C 127 45.029 45.029 45.226 -0.197 17780 2092 1 4 . 1 1 38 38 GLY H H 127 8.374 8.374 7.785 0.589 17780 2093 1 4 . 1 1 39 39 TYR N N 128 117.683 117.683 123.375 -5.692 17780 2094 1 4 . 1 1 39 39 TYR HA H 128 4.501 4.501 4.917 -0.416 17780 2095 1 4 . 1 1 39 39 TYR CA C 128 58.050 58.050 56.914 1.136 17780 2096 1 4 . 1 1 39 39 TYR CB C 128 40.362 40.362 42.010 -1.648 17780 2097 1 4 . 1 1 39 39 TYR H H 128 7.746 7.746 8.301 -0.555 17780 2098 1 4 . 1 1 40 40 MET N N 129 120.902 120.902 116.565 4.337 17780 2099 1 4 . 1 1 40 40 MET HA H 129 4.534 4.534 4.673 -0.139 17780 2100 1 4 . 1 1 40 40 MET CA C 129 53.516 53.516 53.584 -0.068 17780 2101 1 4 . 1 1 40 40 MET CB C 129 34.851 34.851 36.305 -1.454 17780 2102 1 4 . 1 1 40 40 MET H H 129 9.005 9.005 8.786 0.219 17780 2103 1 4 . 1 1 41 41 LEU N N 130 121.514 121.514 115.255 6.259 17780 2104 1 4 . 1 1 41 41 LEU HA H 130 4.464 4.464 5.086 -0.622 17780 2105 1 4 . 1 1 41 41 LEU CA C 130 53.359 53.359 52.864 0.495 17780 2106 1 4 . 1 1 41 41 LEU CB C 130 43.482 43.482 44.145 -0.663 17780 2107 1 4 . 1 1 41 41 LEU H H 130 8.034 8.034 8.105 -0.071 17780 2108 1 4 . 1 1 42 42 GLY N N 131 114.895 114.895 107.670 7.225 17780 2109 1 4 . 1 1 42 42 GLY CA C 131 44.698 44.698 44.818 -0.120 17780 2110 1 4 . 1 1 42 42 GLY H H 131 9.375 9.375 8.701 0.674 17780 2111 1 4 . 1 1 43 43 SER N N 132 113.692 113.692 118.381 -4.689 17780 2112 1 4 . 1 1 43 43 SER HA H 132 4.429 4.429 4.530 -0.101 17780 2113 1 4 . 1 1 43 43 SER CA C 132 58.191 58.191 58.825 -0.634 17780 2114 1 4 . 1 1 43 43 SER CB C 132 63.938 63.938 64.128 -0.190 17780 2115 1 4 . 1 1 43 43 SER H H 132 8.345 8.345 8.328 0.017 17780 2116 1 4 . 1 1 44 44 ALA N N 133 125.505 125.505 123.268 2.237 17780 2117 1 4 . 1 1 44 44 ALA HA H 133 4.437 4.437 4.544 -0.107 17780 2118 1 4 . 1 1 44 44 ALA CA C 133 52.936 52.936 51.807 1.129 17780 2119 1 4 . 1 1 44 44 ALA CB C 133 18.412 18.412 21.405 -2.993 17780 2120 1 4 . 1 1 44 44 ALA H H 133 8.735 8.735 8.191 0.544 17780 2121 1 4 . 1 1 45 45 MET N N 134 120.707 120.707 121.142 -0.435 17780 2122 1 4 . 1 1 45 45 MET HA H 134 4.756 4.756 4.921 -0.165 17780 2123 1 4 . 1 1 45 45 MET CA C 134 54.242 54.242 54.763 -0.521 17780 2124 1 4 . 1 1 45 45 MET CB C 134 36.727 36.727 35.805 0.922 17780 2125 1 4 . 1 1 45 45 MET H H 134 8.686 8.686 8.784 -0.098 17780 2126 1 4 . 1 1 46 46 SER N N 135 116.235 116.235 116.381 -0.146 17780 2127 1 4 . 1 1 46 46 SER HA H 135 4.375 4.375 4.480 -0.105 17780 2128 1 4 . 1 1 46 46 SER CA C 135 58.410 58.410 58.565 -0.155 17780 2129 1 4 . 1 1 46 46 SER CB C 135 63.016 63.016 63.721 -0.705 17780 2130 1 4 . 1 1 46 46 SER H H 135 8.397 8.397 8.478 -0.081 17780 2131 1 4 . 1 1 47 47 ARG N N 136 126.632 126.632 123.202 3.430 17780 2132 1 4 . 1 1 47 47 ARG HA H 136 4.406 4.406 4.750 -0.344 17780 2133 1 4 . 1 1 47 47 ARG CA C 136 54.783 54.783 53.701 1.082 17780 2134 1 4 . 1 1 47 47 ARG CB C 136 29.040 29.040 30.042 -1.002 17780 2135 1 4 . 1 1 47 47 ARG H H 136 8.668 8.668 8.681 -0.013 17780 2136 1 4 . 1 1 48 48 PRO HA H 137 4.422 4.422 4.609 -0.187 17780 2137 1 4 . 1 1 48 48 PRO CA C 137 62.327 62.327 62.710 -0.383 17780 2138 1 4 . 1 1 48 48 PRO CB C 137 32.269 32.269 32.719 -0.450 17780 2139 1 4 . 1 1 49 49 ILE N N 138 122.521 122.521 120.858 1.663 17780 2140 1 4 . 1 1 49 49 ILE HA H 138 4.148 4.148 4.137 0.011 17780 2141 1 4 . 1 1 49 49 ILE CA C 138 60.916 60.916 60.887 0.029 17780 2142 1 4 . 1 1 49 49 ILE CB C 138 36.234 36.234 38.633 -2.399 17780 2143 1 4 . 1 1 49 49 ILE H H 138 8.603 8.603 8.144 0.459 17780 2144 1 4 . 1 1 50 50 ILE N N 139 126.683 126.683 125.983 0.700 17780 2145 1 4 . 1 1 50 50 ILE HA H 139 3.927 3.927 3.821 0.106 17780 2146 1 4 . 1 1 50 50 ILE CA C 139 58.700 58.700 58.678 0.022 17780 2147 1 4 . 1 1 50 50 ILE CB C 139 39.345 39.345 41.049 -1.704 17780 2148 1 4 . 1 1 50 50 ILE H H 139 6.514 6.514 8.075 -1.561 17780 2149 1 4 . 1 1 51 51 HIS N N 140 121.997 121.997 121.243 0.754 17780 2150 1 4 . 1 1 51 51 HIS HA H 140 4.918 4.918 4.468 0.450 17780 2151 1 4 . 1 1 51 51 HIS CA C 140 54.065 54.065 55.363 -1.298 17780 2152 1 4 . 1 1 51 51 HIS CB C 140 29.466 29.466 28.072 1.395 17780 2153 1 4 . 1 1 51 51 HIS H H 140 8.203 8.203 7.485 0.718 17780 2154 1 4 . 1 1 52 52 PHE N N 141 124.334 124.334 123.060 1.274 17780 2155 1 4 . 1 1 52 52 PHE HA H 141 4.348 4.348 4.489 -0.141 17780 2156 1 4 . 1 1 52 52 PHE CA C 141 59.251 59.251 58.647 0.604 17780 2157 1 4 . 1 1 52 52 PHE CB C 141 41.448 41.448 39.711 1.737 17780 2158 1 4 . 1 1 52 52 PHE H H 141 10.160 10.160 8.047 2.113 17780 2159 1 4 . 1 1 53 53 GLY N N 142 108.368 108.368 104.866 3.502 17780 2160 1 4 . 1 1 53 53 GLY CA C 142 45.516 45.516 45.192 0.324 17780 2161 1 4 . 1 1 53 53 GLY H H 142 8.984 8.984 8.311 0.673 17780 2162 1 4 . 1 1 54 54 SER N N 143 111.819 111.819 114.647 -2.828 17780 2163 1 4 . 1 1 54 54 SER HA H 143 4.810 4.810 4.516 0.294 17780 2164 1 4 . 1 1 54 54 SER CA C 143 56.498 56.498 57.285 -0.787 17780 2165 1 4 . 1 1 54 54 SER CB C 143 65.964 65.964 64.698 1.266 17780 2166 1 4 . 1 1 54 54 SER H H 143 7.334 7.334 7.634 -0.300 17780 2167 1 4 . 1 1 55 55 ASP N N 144 124.249 124.249 122.475 1.774 17780 2168 1 4 . 1 1 55 55 ASP HA H 144 4.500 4.500 4.673 -0.173 17780 2169 1 4 . 1 1 55 55 ASP CA C 144 57.493 57.493 57.572 -0.079 17780 2170 1 4 . 1 1 55 55 ASP CB C 144 40.664 40.664 40.812 -0.148 17780 2171 1 4 . 1 1 55 55 ASP H H 144 9.014 9.014 8.596 0.418 17780 2172 1 4 . 1 1 56 56 TYR N N 145 118.991 118.991 115.093 3.898 17780 2173 1 4 . 1 1 56 56 TYR HA H 145 4.196 4.196 4.541 -0.345 17780 2174 1 4 . 1 1 56 56 TYR CA C 145 61.351 61.351 59.757 1.594 17780 2175 1 4 . 1 1 56 56 TYR CB C 145 38.075 38.075 37.424 0.651 17780 2176 1 4 . 1 1 56 56 TYR H H 145 8.551 8.551 7.559 0.992 17780 2177 1 4 . 1 1 57 57 GLU N N 146 119.217 119.217 120.527 -1.310 17780 2178 1 4 . 1 1 57 57 GLU HA H 146 3.563 3.563 4.452 -0.889 17780 2179 1 4 . 1 1 57 57 GLU CA C 146 59.921 59.921 59.504 0.417 17780 2180 1 4 . 1 1 57 57 GLU CB C 146 30.297 30.297 29.804 0.493 17780 2181 1 4 . 1 1 57 57 GLU H H 146 7.741 7.741 7.757 -0.016 17780 2182 1 4 . 1 1 58 58 ASP N N 147 119.565 119.565 118.460 1.105 17780 2183 1 4 . 1 1 58 58 ASP HA H 147 4.498 4.498 4.701 -0.203 17780 2184 1 4 . 1 1 58 58 ASP CA C 147 58.185 58.185 57.084 1.101 17780 2185 1 4 . 1 1 58 58 ASP CB C 147 40.598 40.598 40.629 -0.031 17780 2186 1 4 . 1 1 58 58 ASP H H 147 8.139 8.139 8.162 -0.023 17780 2187 1 4 . 1 1 59 59 ARG N N 148 120.296 120.296 118.887 1.409 17780 2188 1 4 . 1 1 59 59 ARG HA H 148 4.004 4.004 4.124 -0.120 17780 2189 1 4 . 1 1 59 59 ARG CA C 148 59.393 59.393 58.721 0.672 17780 2190 1 4 . 1 1 59 59 ARG CB C 148 29.910 29.910 29.832 0.078 17780 2191 1 4 . 1 1 59 59 ARG H H 148 8.181 8.181 7.724 0.457 17780 2192 1 4 . 1 1 60 60 TYR N N 149 121.152 121.152 121.499 -0.347 17780 2193 1 4 . 1 1 60 60 TYR HA H 149 3.819 3.819 4.179 -0.360 17780 2194 1 4 . 1 1 60 60 TYR CA C 149 62.195 62.195 60.206 1.989 17780 2195 1 4 . 1 1 60 60 TYR CB C 149 37.808 37.808 38.214 -0.406 17780 2196 1 4 . 1 1 60 60 TYR H H 149 8.333 8.333 7.523 0.810 17780 2197 1 4 . 1 1 61 61 TYR N N 150 120.365 120.365 120.637 -0.272 17780 2198 1 4 . 1 1 61 61 TYR HA H 150 4.122 4.122 3.500 0.622 17780 2199 1 4 . 1 1 61 61 TYR CA C 150 62.969 62.969 60.405 2.564 17780 2200 1 4 . 1 1 61 61 TYR CB C 150 38.207 38.207 38.101 0.106 17780 2201 1 4 . 1 1 61 61 TYR H H 150 8.942 8.942 7.908 1.034 17780 2202 1 4 . 1 1 62 62 ARG N N 151 117.982 117.982 116.400 1.582 17780 2203 1 4 . 1 1 62 62 ARG HA H 151 3.938 3.938 3.495 0.443 17780 2204 1 4 . 1 1 62 62 ARG CA C 151 59.940 59.940 58.609 1.331 17780 2205 1 4 . 1 1 62 62 ARG CB C 151 29.731 29.731 29.655 0.076 17780 2206 1 4 . 1 1 62 62 ARG H H 151 7.938 7.938 7.471 0.467 17780 2207 1 4 . 1 1 63 63 GLU N N 152 116.389 116.389 118.332 -1.943 17780 2208 1 4 . 1 1 63 63 GLU HA H 152 4.059 4.059 4.009 0.050 17780 2209 1 4 . 1 1 63 63 GLU CA C 152 57.990 57.990 59.045 -1.056 17780 2210 1 4 . 1 1 63 63 GLU CB C 152 29.915 29.915 29.301 0.614 17780 2211 1 4 . 1 1 63 63 GLU H H 152 8.068 8.068 7.669 0.399 17780 2212 1 4 . 1 1 64 64 ASN N N 153 114.690 114.690 114.784 -0.094 17780 2213 1 4 . 1 1 64 64 ASN HA H 153 4.406 4.406 4.500 -0.094 17780 2214 1 4 . 1 1 64 64 ASN CA C 153 54.814 54.814 53.162 1.652 17780 2215 1 4 . 1 1 64 64 ASN CB C 153 41.178 41.178 37.826 3.352 17780 2216 1 4 . 1 1 64 64 ASN H H 153 7.525 7.525 7.688 -0.163 17780 2217 1 4 . 1 1 65 65 MET N N 154 119.058 119.058 121.058 -2.000 17780 2218 1 4 . 1 1 65 65 MET HA H 154 3.417 3.417 3.705 -0.288 17780 2219 1 4 . 1 1 65 65 MET CA C 154 59.193 59.193 58.432 0.761 17780 2220 1 4 . 1 1 65 65 MET CB C 154 30.258 30.258 31.989 -1.731 17780 2221 1 4 . 1 1 65 65 MET H H 154 7.993 7.993 7.094 0.899 17780 2222 1 4 . 1 1 66 66 HIS N N 155 116.083 116.083 117.534 -1.451 17780 2223 1 4 . 1 1 66 66 HIS HA H 155 4.208 4.208 4.314 -0.106 17780 2224 1 4 . 1 1 66 66 HIS CA C 155 57.382 57.382 58.167 -0.785 17780 2225 1 4 . 1 1 66 66 HIS CB C 155 28.955 28.955 29.539 -0.584 17780 2226 1 4 . 1 1 66 66 HIS H H 155 7.988 7.988 7.965 0.023 17780 2227 1 4 . 1 1 67 67 ARG N N 156 118.993 118.993 117.458 1.535 17780 2228 1 4 . 1 1 67 67 ARG HA H 156 4.133 4.133 4.244 -0.111 17780 2229 1 4 . 1 1 67 67 ARG CA C 156 56.135 56.135 56.484 -0.349 17780 2230 1 4 . 1 1 67 67 ARG CB C 156 30.521 30.521 30.369 0.152 17780 2231 1 4 . 1 1 67 67 ARG H H 156 7.488 7.488 7.356 0.132 17780 2232 1 4 . 1 1 68 68 TYR N N 157 121.321 121.321 119.573 1.748 17780 2233 1 4 . 1 1 68 68 TYR HA H 157 4.991 4.991 4.840 0.151 17780 2234 1 4 . 1 1 68 68 TYR CA C 157 52.644 52.644 53.873 -1.229 17780 2235 1 4 . 1 1 68 68 TYR CB C 157 34.873 34.873 38.182 -3.309 17780 2236 1 4 . 1 1 68 68 TYR H H 157 7.433 7.433 7.380 0.053 17780 2237 1 4 . 1 1 69 69 PRO HA H 158 4.338 4.338 4.352 -0.014 17780 2238 1 4 . 1 1 69 69 PRO CA C 158 63.651 63.651 62.350 1.300 17780 2239 1 4 . 1 1 69 69 PRO CB C 158 32.005 32.005 32.932 -0.927 17780 2240 1 4 . 1 1 70 70 ASN N N 159 116.696 116.696 116.224 0.472 17780 2241 1 4 . 1 1 70 70 ASN HA H 159 4.690 4.690 4.662 0.028 17780 2242 1 4 . 1 1 70 70 ASN CA C 159 51.997 51.997 53.268 -1.271 17780 2243 1 4 . 1 1 70 70 ASN CB C 159 38.375 38.375 39.018 -0.643 17780 2244 1 4 . 1 1 70 70 ASN H H 159 8.673 8.673 8.478 0.195 17780 2245 1 4 . 1 1 71 71 GLN N N 160 114.313 114.313 117.583 -3.270 17780 2246 1 4 . 1 1 71 71 GLN HA H 160 4.523 4.523 4.676 -0.153 17780 2247 1 4 . 1 1 71 71 GLN CA C 160 54.286 54.286 54.493 -0.207 17780 2248 1 4 . 1 1 71 71 GLN CB C 160 32.975 32.975 32.563 0.412 17780 2249 1 4 . 1 1 71 71 GLN H H 160 7.319 7.319 7.675 -0.356 17780 2250 1 4 . 1 1 72 72 VAL N N 161 112.569 112.569 115.000 -2.431 17780 2251 1 4 . 1 1 72 72 VAL HA H 161 4.927 4.927 4.510 0.417 17780 2252 1 4 . 1 1 72 72 VAL CA C 161 58.651 58.651 60.312 -1.661 17780 2253 1 4 . 1 1 72 72 VAL CB C 161 33.812 33.812 34.376 -0.564 17780 2254 1 4 . 1 1 72 72 VAL H H 161 8.477 8.477 8.157 0.320 17780 2255 1 4 . 1 1 73 73 TYR N N 162 121.525 121.525 123.053 -1.528 17780 2256 1 4 . 1 1 73 73 TYR HA H 162 5.507 5.507 5.432 0.075 17780 2257 1 4 . 1 1 73 73 TYR CA C 162 57.133 57.133 55.703 1.430 17780 2258 1 4 . 1 1 73 73 TYR CB C 162 41.970 41.970 41.897 0.073 17780 2259 1 4 . 1 1 73 73 TYR H H 162 8.490 8.490 8.630 -0.140 17780 2260 1 4 . 1 1 74 74 TYR N N 163 111.081 111.081 119.615 -8.534 17780 2261 1 4 . 1 1 74 74 TYR HA H 163 4.758 4.758 5.159 -0.401 17780 2262 1 4 . 1 1 74 74 TYR CA C 163 55.367 55.367 56.718 -1.351 17780 2263 1 4 . 1 1 74 74 TYR CB C 163 40.401 40.401 40.287 0.114 17780 2264 1 4 . 1 1 74 74 TYR H H 163 8.593 8.593 8.628 -0.035 17780 2265 1 4 . 1 1 76 76 PRO HA H 165 4.490 4.490 4.489 0.001 17780 2266 1 4 . 1 1 76 76 PRO CA C 165 62.967 62.967 62.629 0.338 17780 2267 1 4 . 1 1 76 76 PRO CB C 165 32.372 32.372 32.352 0.020 17780 2268 1 4 . 1 1 77 77 MET N N 166 121.408 121.408 116.542 4.866 17780 2269 1 4 . 1 1 77 77 MET HA H 166 4.438 4.438 3.534 0.904 17780 2270 1 4 . 1 1 77 77 MET CA C 166 57.081 57.081 55.263 1.818 17780 2271 1 4 . 1 1 77 77 MET CB C 166 32.165 32.165 30.463 1.702 17780 2272 1 4 . 1 1 77 77 MET H H 166 9.013 9.013 8.529 0.484 17780 2273 1 4 . 1 1 78 78 ASP N N 167 119.933 119.933 119.022 0.911 17780 2274 1 4 . 1 1 78 78 ASP HA H 167 4.754 4.754 4.663 0.091 17780 2275 1 4 . 1 1 78 78 ASP CA C 167 52.485 52.485 53.075 -0.590 17780 2276 1 4 . 1 1 78 78 ASP CB C 167 38.802 38.802 42.180 -3.378 17780 2277 1 4 . 1 1 78 78 ASP H H 167 8.176 8.176 7.668 0.508 17780 2278 1 4 . 1 1 79 79 GLU N N 168 116.934 116.934 117.146 -0.212 17780 2279 1 4 . 1 1 79 79 GLU HA H 168 4.308 4.308 4.087 0.221 17780 2280 1 4 . 1 1 79 79 GLU CA C 168 58.638 58.638 58.092 0.546 17780 2281 1 4 . 1 1 79 79 GLU CB C 168 29.185 29.185 29.459 -0.274 17780 2282 1 4 . 1 1 79 79 GLU H H 168 8.332 8.332 8.378 -0.046 17780 2283 1 4 . 1 1 81 81 SER N N 170 116.603 116.603 116.239 0.364 17780 2284 1 4 . 1 1 81 81 SER HA H 170 4.374 4.374 4.541 -0.167 17780 2285 1 4 . 1 1 81 81 SER CA C 170 58.475 58.475 57.092 1.383 17780 2286 1 4 . 1 1 81 81 SER CB C 170 63.677 63.677 62.937 0.740 17780 2287 1 4 . 1 1 81 81 SER H H 170 8.560 8.560 7.670 0.890 17780 2288 1 4 . 1 1 83 83 GLN N N 172 120.404 120.404 117.216 3.188 17780 2289 1 4 . 1 1 83 83 GLN HA H 172 4.750 4.750 4.550 0.200 17780 2290 1 4 . 1 1 83 83 GLN CA C 172 59.899 59.899 54.914 4.985 17780 2291 1 4 . 1 1 83 83 GLN CB C 172 29.023 29.023 31.374 -2.351 17780 2292 1 4 . 1 1 83 83 GLN H H 172 8.635 8.635 7.943 0.692 17780 2293 1 4 . 1 1 84 84 ASN N N 173 116.470 116.470 120.777 -4.307 17780 2294 1 4 . 1 1 84 84 ASN HA H 173 4.237 4.237 4.523 -0.286 17780 2295 1 4 . 1 1 84 84 ASN CA C 173 56.470 56.470 55.494 0.976 17780 2296 1 4 . 1 1 84 84 ASN CB C 173 37.812 37.812 38.810 -0.998 17780 2297 1 4 . 1 1 84 84 ASN H H 173 8.352 8.352 9.052 -0.700 17780 2298 1 4 . 1 1 85 85 ASN N N 174 118.500 118.500 117.631 0.869 17780 2299 1 4 . 1 1 85 85 ASN HA H 174 4.534 4.534 4.283 0.251 17780 2300 1 4 . 1 1 85 85 ASN CA C 174 55.905 55.905 54.609 1.296 17780 2301 1 4 . 1 1 85 85 ASN CB C 174 37.760 37.760 37.384 0.376 17780 2302 1 4 . 1 1 85 85 ASN H H 174 8.602 8.602 8.424 0.178 17780 2303 1 4 . 1 1 86 86 PHE CB C 175 39.641 39.641 38.488 1.153 17780 2304 1 4 . 1 1 87 87 VAL N N 176 120.134 120.134 119.920 0.214 17780 2305 1 4 . 1 1 87 87 VAL HA H 176 3.564 3.564 2.616 0.948 17780 2306 1 4 . 1 1 87 87 VAL CA C 176 67.737 67.737 65.244 2.493 17780 2307 1 4 . 1 1 87 87 VAL CB C 176 31.951 31.951 29.890 2.061 17780 2308 1 4 . 1 1 87 87 VAL H H 176 9.002 9.002 7.119 1.883 17780 2309 1 4 . 1 1 88 88 HIS N N 177 117.217 117.217 118.853 -1.636 17780 2310 1 4 . 1 1 88 88 HIS HA H 177 4.304 4.304 4.116 0.188 17780 2311 1 4 . 1 1 88 88 HIS CA C 177 59.781 59.781 58.812 0.969 17780 2312 1 4 . 1 1 88 88 HIS CB C 177 28.264 28.264 29.768 -1.504 17780 2313 1 4 . 1 1 88 88 HIS H H 177 8.330 8.330 7.575 0.755 17780 2314 1 4 . 1 1 89 89 ASP N N 178 118.497 118.497 119.136 -0.639 17780 2315 1 4 . 1 1 89 89 ASP HA H 178 4.500 4.500 4.599 -0.099 17780 2316 1 4 . 1 1 89 89 ASP CA C 178 57.423 57.423 56.598 0.825 17780 2317 1 4 . 1 1 89 89 ASP CB C 178 41.792 41.792 41.239 0.553 17780 2318 1 4 . 1 1 89 89 ASP H H 178 7.696 7.696 8.004 -0.308 17780 2319 1 4 . 1 1 90 90 CYS N N 179 119.012 119.012 120.284 -1.272 17780 2320 1 4 . 1 1 90 90 CYS HA H 179 4.753 4.753 4.396 0.357 17780 2321 1 4 . 1 1 90 90 CYS CA C 179 58.466 58.466 62.421 -3.955 17780 2322 1 4 . 1 1 90 90 CYS CB C 179 40.758 40.758 25.817 14.941 17780 2323 1 4 . 1 1 90 90 CYS H H 179 8.037 8.037 7.442 0.595 17780 2324 1 4 . 1 1 91 91 VAL N N 180 125.063 125.063 120.852 4.211 17780 2325 1 4 . 1 1 91 91 VAL HA H 180 3.667 3.667 3.629 0.038 17780 2326 1 4 . 1 1 91 91 VAL CA C 180 66.293 66.293 66.990 -0.698 17780 2327 1 4 . 1 1 91 91 VAL CB C 180 32.028 32.028 31.996 0.032 17780 2328 1 4 . 1 1 91 91 VAL H H 180 9.212 9.212 8.664 0.548 17780 2329 1 4 . 1 1 92 92 ASN N N 181 116.153 116.153 118.683 -2.530 17780 2330 1 4 . 1 1 92 92 ASN HA H 181 4.311 4.311 4.423 -0.112 17780 2331 1 4 . 1 1 92 92 ASN CA C 181 56.622 56.622 56.288 0.334 17780 2332 1 4 . 1 1 92 92 ASN CB C 181 38.749 38.749 38.118 0.631 17780 2333 1 4 . 1 1 92 92 ASN H H 181 7.626 7.626 7.424 0.202 17780 2334 1 4 . 1 1 93 93 ILE N N 182 118.637 118.637 119.944 -1.307 17780 2335 1 4 . 1 1 93 93 ILE HA H 182 3.787 3.787 3.736 0.051 17780 2336 1 4 . 1 1 93 93 ILE CA C 182 62.078 62.078 63.716 -1.638 17780 2337 1 4 . 1 1 93 93 ILE CB C 182 36.535 36.535 36.287 0.248 17780 2338 1 4 . 1 1 93 93 ILE H H 182 8.610 8.610 8.634 -0.024 17780 2339 1 4 . 1 1 94 94 THR N N 183 118.229 118.229 117.710 0.519 17780 2340 1 4 . 1 1 94 94 THR HA H 183 4.097 4.097 4.064 0.033 17780 2341 1 4 . 1 1 94 94 THR CA C 183 68.834 68.834 67.562 1.272 17780 2342 1 4 . 1 1 94 94 THR CB C 183 68.258 68.258 68.527 -0.269 17780 2343 1 4 . 1 1 94 94 THR H H 183 8.140 8.140 8.340 -0.200 17780 2344 1 4 . 1 1 95 95 ILE N N 184 120.906 120.906 121.591 -0.685 17780 2345 1 4 . 1 1 95 95 ILE HA H 184 3.666 3.666 3.872 -0.206 17780 2346 1 4 . 1 1 95 95 ILE CA C 184 66.259 66.259 63.579 2.680 17780 2347 1 4 . 1 1 95 95 ILE CB C 184 36.824 36.824 37.849 -1.025 17780 2348 1 4 . 1 1 95 95 ILE H H 184 8.450 8.450 7.797 0.653 17780 2349 1 4 . 1 1 96 96 LYS N N 185 123.208 123.208 121.383 1.825 17780 2350 1 4 . 1 1 96 96 LYS HA H 185 4.067 4.067 3.834 0.233 17780 2351 1 4 . 1 1 96 96 LYS CA C 185 59.987 59.987 60.215 -0.228 17780 2352 1 4 . 1 1 96 96 LYS CB C 185 32.119 32.119 32.149 -0.030 17780 2353 1 4 . 1 1 96 96 LYS H H 185 8.067 8.067 8.349 -0.282 17780 2354 1 4 . 1 1 97 97 GLN N N 186 116.879 116.879 118.387 -1.508 17780 2355 1 4 . 1 1 97 97 GLN HA H 186 4.059 4.059 3.967 0.092 17780 2356 1 4 . 1 1 97 97 GLN CA C 186 58.010 58.010 59.013 -1.003 17780 2357 1 4 . 1 1 97 97 GLN CB C 186 27.982 27.982 28.209 -0.227 17780 2358 1 4 . 1 1 97 97 GLN H H 186 8.493 8.493 8.473 0.020 17780 2359 1 4 . 1 1 98 98 HIS N N 187 119.676 119.676 121.744 -2.068 17780 2360 1 4 . 1 1 98 98 HIS HA H 187 4.579 4.579 4.427 0.152 17780 2361 1 4 . 1 1 98 98 HIS CA C 187 59.465 59.465 59.015 0.450 17780 2362 1 4 . 1 1 98 98 HIS CB C 187 31.628 31.628 29.716 1.912 17780 2363 1 4 . 1 1 98 98 HIS H H 187 8.435 8.435 7.752 0.683 17780 2364 1 4 . 1 1 99 99 THR N N 188 114.500 114.500 116.074 -1.574 17780 2365 1 4 . 1 1 99 99 THR HA H 188 4.090 4.090 3.618 0.472 17780 2366 1 4 . 1 1 99 99 THR CA C 188 66.210 66.210 65.799 0.411 17780 2367 1 4 . 1 1 99 99 THR CB C 188 68.800 68.800 68.378 0.422 17780 2368 1 4 . 1 1 99 99 THR H H 188 8.440 8.440 8.239 0.201 17780 2369 1 4 . 1 1 100 100 VAL N N 189 122.934 122.934 120.758 2.176 17780 2370 1 4 . 1 1 100 100 VAL HA H 189 3.838 3.838 3.705 0.133 17780 2371 1 4 . 1 1 100 100 VAL CA C 189 65.832 65.832 65.555 0.277 17780 2372 1 4 . 1 1 100 100 VAL CB C 189 31.897 31.897 31.778 0.119 17780 2373 1 4 . 1 1 100 100 VAL H H 189 8.057 8.057 7.916 0.141 17780 2374 1 4 . 1 1 101 101 THR N N 190 115.101 115.101 112.178 2.923 17780 2375 1 4 . 1 1 101 101 THR HA H 190 4.140 4.140 4.100 0.040 17780 2376 1 4 . 1 1 101 101 THR CA C 190 64.907 64.907 66.030 -1.123 17780 2377 1 4 . 1 1 101 101 THR CB C 190 69.041 69.041 68.610 0.431 17780 2378 1 4 . 1 1 101 101 THR H H 190 8.131 8.131 7.638 0.493 17780 2379 1 4 . 1 1 102 102 THR N N 191 114.546 114.546 118.757 -4.211 17780 2380 1 4 . 1 1 102 102 THR HA H 191 4.092 4.092 3.857 0.235 17780 2381 1 4 . 1 1 102 102 THR CA C 191 64.801 64.801 67.928 -3.127 17780 2382 1 4 . 1 1 102 102 THR CB C 191 69.145 69.145 68.123 1.022 17780 2383 1 4 . 1 1 102 102 THR H H 191 8.011 8.011 7.917 0.094 17780 2384 1 4 . 1 1 103 103 THR N N 192 117.876 117.876 114.386 3.490 17780 2385 1 4 . 1 1 103 103 THR HA H 192 4.373 4.373 4.582 -0.209 17780 2386 1 4 . 1 1 103 103 THR CA C 192 64.935 64.935 65.414 -0.479 17780 2387 1 4 . 1 1 103 103 THR CB C 192 69.043 69.043 68.141 0.902 17780 2388 1 4 . 1 1 103 103 THR H H 192 8.224 8.224 7.517 0.707 17780 2389 1 4 . 1 1 104 104 THR N N 193 116.232 116.232 117.340 -1.108 17780 2390 1 4 . 1 1 104 104 THR HA H 193 4.204 4.204 4.116 0.088 17780 2391 1 4 . 1 1 104 104 THR CA C 193 64.311 64.311 65.295 -0.984 17780 2392 1 4 . 1 1 104 104 THR CB C 193 68.981 68.981 68.676 0.305 17780 2393 1 4 . 1 1 104 104 THR H H 193 7.805 7.805 7.517 0.288 17780 2394 1 4 . 1 1 105 105 LYS N N 194 119.843 119.843 118.862 0.981 17780 2395 1 4 . 1 1 105 105 LYS HA H 194 4.384 4.384 4.425 -0.041 17780 2396 1 4 . 1 1 105 105 LYS CA C 194 56.220 56.220 55.112 1.108 17780 2397 1 4 . 1 1 105 105 LYS CB C 194 32.527 32.527 32.294 0.233 17780 2398 1 4 . 1 1 105 105 LYS H H 194 7.504 7.504 7.564 -0.060 17780 2399 1 4 . 1 1 106 106 GLY N N 195 107.946 107.946 108.081 -0.135 17780 2400 1 4 . 1 1 106 106 GLY CA C 195 45.431 45.431 45.281 0.151 17780 2401 1 4 . 1 1 106 106 GLY H H 195 7.924 7.924 7.688 0.236 17780 2402 1 4 . 1 1 107 107 GLU N N 196 120.063 120.063 119.788 0.275 17780 2403 1 4 . 1 1 107 107 GLU HA H 196 4.255 4.255 4.699 -0.444 17780 2404 1 4 . 1 1 107 107 GLU CA C 196 55.597 55.597 54.615 0.981 17780 2405 1 4 . 1 1 107 107 GLU CB C 196 31.073 31.073 33.088 -2.015 17780 2406 1 4 . 1 1 107 107 GLU H H 196 7.465 7.465 8.195 -0.730 17780 2407 1 4 . 1 1 108 108 ASN N N 197 119.350 119.350 119.384 -0.034 17780 2408 1 4 . 1 1 108 108 ASN HA H 197 4.657 4.657 5.080 -0.423 17780 2409 1 4 . 1 1 108 108 ASN CA C 197 52.673 52.673 53.056 -0.383 17780 2410 1 4 . 1 1 108 108 ASN CB C 197 40.827 40.827 40.355 0.471 17780 2411 1 4 . 1 1 108 108 ASN H H 197 8.458 8.458 8.481 -0.023 17780 2412 1 4 . 1 1 109 109 PHE N N 198 121.688 121.688 120.271 1.417 17780 2413 1 4 . 1 1 109 109 PHE HA H 198 5.317 5.317 4.995 0.322 17780 2414 1 4 . 1 1 109 109 PHE CA C 198 56.571 56.571 56.501 0.070 17780 2415 1 4 . 1 1 109 109 PHE CB C 198 40.093 40.093 42.568 -2.474 17780 2416 1 4 . 1 1 109 109 PHE H H 198 8.709 8.709 8.762 -0.053 17780 2417 1 4 . 1 1 110 110 THR N N 199 115.904 115.904 115.629 0.275 17780 2418 1 4 . 1 1 110 110 THR HA H 199 4.624 4.624 4.578 0.046 17780 2419 1 4 . 1 1 110 110 THR CA C 199 60.343 60.343 60.994 -0.651 17780 2420 1 4 . 1 1 110 110 THR CB C 199 72.033 72.033 70.396 1.637 17780 2421 1 4 . 1 1 110 110 THR H H 199 9.547 9.547 9.133 0.414 17780 2422 1 4 . 1 1 111 111 GLU N N 200 119.988 119.988 120.612 -0.624 17780 2423 1 4 . 1 1 111 111 GLU HA H 200 4.067 4.067 3.963 0.104 17780 2424 1 4 . 1 1 111 111 GLU CA C 200 60.027 60.027 59.921 0.106 17780 2425 1 4 . 1 1 111 111 GLU CB C 200 28.976 28.976 28.607 0.369 17780 2426 1 4 . 1 1 111 111 GLU H H 200 9.132 9.132 8.903 0.229 17780 2427 1 4 . 1 1 112 112 THR N N 201 116.221 116.221 115.907 0.314 17780 2428 1 4 . 1 1 112 112 THR HA H 201 3.796 3.796 4.123 -0.327 17780 2429 1 4 . 1 1 112 112 THR CA C 201 66.781 66.781 66.280 0.501 17780 2430 1 4 . 1 1 112 112 THR CB C 201 68.581 68.581 68.147 0.434 17780 2431 1 4 . 1 1 112 112 THR H H 201 7.934 7.934 8.196 -0.262 17780 2432 1 4 . 1 1 113 113 ASP N N 202 120.001 120.001 122.846 -2.845 17780 2433 1 4 . 1 1 113 113 ASP HA H 202 4.598 4.598 4.550 0.048 17780 2434 1 4 . 1 1 113 113 ASP CA C 202 57.984 57.984 58.094 -0.110 17780 2435 1 4 . 1 1 113 113 ASP CB C 202 41.756 41.756 40.940 0.816 17780 2436 1 4 . 1 1 113 113 ASP H H 202 7.503 7.503 8.133 -0.630 17780 2437 1 4 . 1 1 114 114 VAL N N 203 119.529 119.529 119.382 0.147 17780 2438 1 4 . 1 1 114 114 VAL HA H 203 3.279 3.279 3.649 -0.370 17780 2439 1 4 . 1 1 114 114 VAL CA C 203 67.817 67.817 65.998 1.819 17780 2440 1 4 . 1 1 114 114 VAL CB C 203 31.528 31.528 31.199 0.329 17780 2441 1 4 . 1 1 114 114 VAL H H 203 8.209 8.209 7.719 0.490 17780 2442 1 4 . 1 1 115 115 LYS N N 204 119.051 119.051 120.438 -1.387 17780 2443 1 4 . 1 1 115 115 LYS HA H 204 4.082 4.082 4.311 -0.229 17780 2444 1 4 . 1 1 115 115 LYS CA C 204 59.268 59.268 59.376 -0.108 17780 2445 1 4 . 1 1 115 115 LYS CB C 204 31.979 31.979 32.652 -0.673 17780 2446 1 4 . 1 1 115 115 LYS H H 204 7.714 7.714 8.178 -0.464 17780 2447 1 4 . 1 1 116 116 MET N N 205 118.581 118.581 116.597 1.984 17780 2448 1 4 . 1 1 116 116 MET HA H 205 4.167 4.167 4.485 -0.318 17780 2449 1 4 . 1 1 116 116 MET CA C 205 59.984 59.984 58.496 1.488 17780 2450 1 4 . 1 1 116 116 MET CB C 205 32.933 32.933 33.092 -0.159 17780 2451 1 4 . 1 1 116 116 MET H H 205 8.182 8.182 8.328 -0.146 17780 2452 1 4 . 1 1 117 117 MET N N 206 118.259 118.259 118.233 0.026 17780 2453 1 4 . 1 1 117 117 MET HA H 206 3.561 3.561 4.158 -0.597 17780 2454 1 4 . 1 1 117 117 MET CA C 206 59.967 59.967 58.477 1.490 17780 2455 1 4 . 1 1 117 117 MET CB C 206 33.824 33.824 31.774 2.050 17780 2456 1 4 . 1 1 117 117 MET H H 206 8.691 8.691 7.947 0.744 17780 2457 1 4 . 1 1 118 118 GLU N N 207 118.878 118.878 120.248 -1.370 17780 2458 1 4 . 1 1 118 118 GLU HA H 207 3.658 3.658 3.914 -0.256 17780 2459 1 4 . 1 1 118 118 GLU CA C 207 60.702 60.702 59.430 1.272 17780 2460 1 4 . 1 1 118 118 GLU CB C 207 29.000 29.000 29.349 -0.349 17780 2461 1 4 . 1 1 118 118 GLU H H 207 8.544 8.544 8.102 0.442 17780 2462 1 4 . 1 1 119 119 ARG N N 208 116.694 116.694 117.370 -0.676 17780 2463 1 4 . 1 1 119 119 ARG HA H 208 4.228 4.228 4.048 0.180 17780 2464 1 4 . 1 1 119 119 ARG CA C 208 58.554 58.554 58.693 -0.139 17780 2465 1 4 . 1 1 119 119 ARG CB C 208 30.136 30.136 29.821 0.315 17780 2466 1 4 . 1 1 119 119 ARG H H 208 7.289 7.289 7.741 -0.452 17780 2467 1 4 . 1 1 120 120 VAL N N 209 119.035 119.035 116.208 2.827 17780 2468 1 4 . 1 1 120 120 VAL HA H 209 3.837 3.837 3.998 -0.161 17780 2469 1 4 . 1 1 120 120 VAL CA C 209 65.766 65.766 65.463 0.303 17780 2470 1 4 . 1 1 120 120 VAL CB C 209 32.213 32.213 31.998 0.215 17780 2471 1 4 . 1 1 120 120 VAL H H 209 8.279 8.279 7.411 0.868 17780 2472 1 4 . 1 1 121 121 VAL N N 210 121.668 121.668 115.974 5.694 17780 2473 1 4 . 1 1 121 121 VAL HA H 210 3.597 3.597 3.754 -0.157 17780 2474 1 4 . 1 1 121 121 VAL CA C 210 66.639 66.639 65.823 0.816 17780 2475 1 4 . 1 1 121 121 VAL CB C 210 31.097 31.097 31.132 -0.035 17780 2476 1 4 . 1 1 121 121 VAL H H 210 9.183 9.183 7.644 1.539 17780 2477 1 4 . 1 1 122 122 GLU N N 211 120.770 120.770 120.687 0.083 17780 2478 1 4 . 1 1 122 122 GLU HA H 211 3.603 3.603 3.858 -0.255 17780 2479 1 4 . 1 1 122 122 GLU CA C 211 61.132 61.132 60.407 0.725 17780 2480 1 4 . 1 1 122 122 GLU CB C 211 29.153 29.153 29.223 -0.070 17780 2481 1 4 . 1 1 122 122 GLU H H 211 8.041 8.041 7.772 0.269 17780 2482 1 4 . 1 1 123 123 GLN N N 212 114.580 114.580 117.277 -2.697 17780 2483 1 4 . 1 1 123 123 GLN HA H 212 3.662 3.662 4.142 -0.480 17780 2484 1 4 . 1 1 123 123 GLN CA C 212 58.509 58.509 58.016 0.493 17780 2485 1 4 . 1 1 123 123 GLN CB C 212 27.824 27.824 27.924 -0.100 17780 2486 1 4 . 1 1 123 123 GLN H H 212 7.096 7.096 8.036 -0.940 17780 2487 1 4 . 1 1 124 124 MET N N 213 119.748 119.748 121.383 -1.635 17780 2488 1 4 . 1 1 124 124 MET HA H 213 4.167 4.167 4.253 -0.086 17780 2489 1 4 . 1 1 124 124 MET CA C 213 59.928 59.928 59.176 0.752 17780 2490 1 4 . 1 1 124 124 MET CB C 213 34.529 34.529 32.748 1.781 17780 2491 1 4 . 1 1 124 124 MET H H 213 8.145 8.145 7.778 0.367 17780 2492 1 4 . 1 1 125 125 CYS N N 214 119.538 119.538 119.386 0.152 17780 2493 1 4 . 1 1 125 125 CYS HA H 214 4.427 4.427 4.265 0.162 17780 2494 1 4 . 1 1 125 125 CYS CA C 214 59.838 59.838 62.375 -2.537 17780 2495 1 4 . 1 1 125 125 CYS CB C 214 41.798 41.798 25.706 16.092 17780 2496 1 4 . 1 1 125 125 CYS H H 214 9.275 9.275 8.276 0.999 17780 2497 1 4 . 1 1 126 126 ILE N N 215 123.982 123.982 120.962 3.020 17780 2498 1 4 . 1 1 126 126 ILE HA H 215 3.579 3.579 3.842 -0.263 17780 2499 1 4 . 1 1 126 126 ILE CA C 215 66.649 66.649 65.572 1.077 17780 2500 1 4 . 1 1 126 126 ILE CB C 215 38.152 38.152 37.892 0.260 17780 2501 1 4 . 1 1 126 126 ILE H H 215 8.434 8.434 7.890 0.544 17780 2502 1 4 . 1 1 127 127 THR N N 216 118.728 118.728 116.498 2.230 17780 2503 1 4 . 1 1 127 127 THR HA H 216 3.835 3.835 3.969 -0.134 17780 2504 1 4 . 1 1 127 127 THR CA C 216 67.425 67.425 67.069 0.356 17780 2505 1 4 . 1 1 127 127 THR CB C 216 68.035 68.035 68.231 -0.196 17780 2506 1 4 . 1 1 127 127 THR H H 216 8.097 8.097 8.184 -0.087 17780 2507 1 4 . 1 1 128 128 GLN N N 217 122.368 122.368 120.713 1.655 17780 2508 1 4 . 1 1 128 128 GLN HA H 217 3.662 3.662 4.157 -0.495 17780 2509 1 4 . 1 1 128 128 GLN CA C 217 58.462 58.462 58.576 -0.114 17780 2510 1 4 . 1 1 128 128 GLN CB C 217 28.075 28.075 28.268 -0.193 17780 2511 1 4 . 1 1 128 128 GLN H H 217 8.637 8.637 7.920 0.717 17780 2512 1 4 . 1 1 129 129 TYR N N 218 121.512 121.512 122.652 -1.140 17780 2513 1 4 . 1 1 129 129 TYR HA H 218 2.929 2.929 4.109 -1.180 17780 2514 1 4 . 1 1 129 129 TYR CA C 218 61.904 61.904 60.215 1.689 17780 2515 1 4 . 1 1 129 129 TYR CB C 218 37.075 37.075 38.285 -1.210 17780 2516 1 4 . 1 1 129 129 TYR H H 218 8.705 8.705 8.903 -0.198 17780 2517 1 4 . 1 1 130 130 LYS N N 219 120.801 120.801 118.089 2.712 17780 2518 1 4 . 1 1 130 130 LYS HA H 219 3.667 3.667 3.718 -0.051 17780 2519 1 4 . 1 1 130 130 LYS CA C 219 60.001 60.001 57.631 2.370 17780 2520 1 4 . 1 1 130 130 LYS CB C 219 31.732 31.732 31.619 0.113 17780 2521 1 4 . 1 1 130 130 LYS H H 219 8.232 8.232 8.370 -0.138 17780 2522 1 4 . 1 1 131 131 ARG HA H 220 3.978 3.978 3.998 -0.020 17780 2523 1 4 . 1 1 131 131 ARG CA C 220 59.013 59.013 58.699 0.314 17780 2524 1 4 . 1 1 131 131 ARG CB C 220 30.028 30.028 29.981 0.047 17780 2525 1 4 . 1 1 132 132 GLU N N 221 119.690 119.690 117.402 2.288 17780 2526 1 4 . 1 1 132 132 GLU HA H 221 4.035 4.035 4.327 -0.292 17780 2527 1 4 . 1 1 132 132 GLU CA C 221 58.006 58.006 57.887 0.119 17780 2528 1 4 . 1 1 132 132 GLU CB C 221 29.270 29.270 29.527 -0.258 17780 2529 1 4 . 1 1 132 132 GLU H H 221 8.521 8.521 8.103 0.418 17780 2530 1 4 . 1 1 133 133 SER N N 222 115.963 115.963 116.040 -0.077 17780 2531 1 4 . 1 1 133 133 SER HA H 222 3.884 3.884 3.932 -0.048 17780 2532 1 4 . 1 1 133 133 SER CA C 222 61.500 61.500 61.584 -0.084 17780 2533 1 4 . 1 1 133 133 SER CB C 222 62.207 62.207 61.599 0.608 17780 2534 1 4 . 1 1 133 133 SER H H 222 8.543 8.543 8.485 0.058 17780 2535 1 4 . 1 1 134 134 GLN N N 223 120.695 120.695 121.489 -0.794 17780 2536 1 4 . 1 1 134 134 GLN HA H 223 4.152 4.152 3.815 0.337 17780 2537 1 4 . 1 1 134 134 GLN CA C 223 58.646 58.646 58.416 0.230 17780 2538 1 4 . 1 1 134 134 GLN CB C 223 28.299 28.299 28.341 -0.042 17780 2539 1 4 . 1 1 134 134 GLN H H 223 7.486 7.486 7.391 0.095 17780 2540 1 4 . 1 1 135 135 ALA N N 224 120.905 120.905 120.634 0.271 17780 2541 1 4 . 1 1 135 135 ALA HA H 224 4.169 4.169 4.146 0.023 17780 2542 1 4 . 1 1 135 135 ALA CA C 224 54.404 54.404 54.239 0.165 17780 2543 1 4 . 1 1 135 135 ALA CB C 224 18.233 18.233 18.431 -0.198 17780 2544 1 4 . 1 1 135 135 ALA H H 224 7.497 7.497 7.490 0.007 17780 2545 1 4 . 1 1 136 136 TYR N N 225 119.969 119.969 121.142 -1.173 17780 2546 1 4 . 1 1 136 136 TYR HA H 225 4.080 4.080 4.126 -0.046 17780 2547 1 4 . 1 1 136 136 TYR CA C 225 61.060 61.060 60.911 0.149 17780 2548 1 4 . 1 1 136 136 TYR CB C 225 39.008 39.008 38.446 0.562 17780 2549 1 4 . 1 1 136 136 TYR H H 225 8.215 8.215 7.686 0.529 17780 2550 1 4 . 1 1 137 137 TYR N N 226 117.988 117.988 117.290 0.698 17780 2551 1 4 . 1 1 137 137 TYR HA H 226 4.319 4.319 3.991 0.328 17780 2552 1 4 . 1 1 137 137 TYR CA C 226 59.543 59.543 58.657 0.886 17780 2553 1 4 . 1 1 137 137 TYR CB C 226 37.769 37.769 36.715 1.054 17780 2554 1 4 . 1 1 137 137 TYR H H 226 8.022 8.022 8.539 -0.517 17780 2555 1 4 . 1 1 138 138 GLN N N 227 118.911 118.911 118.607 0.304 17780 2556 1 4 . 1 1 138 138 GLN HA H 227 4.189 4.189 4.103 0.086 17780 2557 1 4 . 1 1 138 138 GLN CA C 227 57.002 57.002 57.611 -0.609 17780 2558 1 4 . 1 1 138 138 GLN CB C 227 28.740 28.740 27.672 1.069 17780 2559 1 4 . 1 1 138 138 GLN H H 227 7.838 7.838 7.679 0.159 17780 2560 1 4 . 1 1 139 139 ARG N N 228 119.910 119.910 118.997 0.913 17780 2561 1 4 . 1 1 139 139 ARG HA H 228 4.207 4.207 4.114 0.093 17780 2562 1 4 . 1 1 139 139 ARG CA C 228 57.338 57.338 57.411 -0.073 17780 2563 1 4 . 1 1 139 139 ARG CB C 228 30.390 30.390 30.286 0.104 17780 2564 1 4 . 1 1 139 139 ARG H H 228 7.862 7.862 7.911 -0.049 17780 2565 1 4 . 1 1 140 140 GLY N N 229 108.627 108.627 105.510 3.117 17780 2566 1 4 . 1 1 140 140 GLY CA C 229 45.477 45.477 45.102 0.375 17780 2567 1 4 . 1 1 140 140 GLY H H 229 8.092 8.092 7.648 0.444 17780 2568 1 4 . 1 1 141 141 SER N N 230 115.141 115.141 116.112 -0.971 17780 2569 1 4 . 1 1 141 141 SER HA H 230 4.330 4.330 4.945 -0.615 17780 2570 1 4 . 1 1 141 141 SER CA C 230 58.650 58.650 57.530 1.120 17780 2571 1 4 . 1 1 141 141 SER CB C 230 63.641 63.641 64.668 -1.027 17780 2572 1 4 . 1 1 141 141 SER H H 230 8.050 8.050 7.712 0.338 17780 2573 1 5 . 1 1 2 2 GLN N N 91 119.729 119.729 118.319 1.410 17780 2574 1 5 . 1 1 2 2 GLN HA H 91 4.407 4.407 4.037 0.370 17780 2575 1 5 . 1 1 2 2 GLN CA C 91 55.969 55.969 55.775 0.194 17780 2576 1 5 . 1 1 2 2 GLN CB C 91 29.576 29.576 27.900 1.676 17780 2577 1 5 . 1 1 2 2 GLN H H 91 8.267 8.267 8.486 -0.219 17780 2578 1 5 . 1 1 3 3 GLY N N 92 110.081 110.081 106.315 3.766 17780 2579 1 5 . 1 1 3 3 GLY CA C 92 45.115 45.115 44.728 0.387 17780 2580 1 5 . 1 1 3 3 GLY H H 92 8.515 8.515 8.064 0.451 17780 2581 1 5 . 1 1 4 4 GLY N N 93 108.748 108.748 109.355 -0.607 17780 2582 1 5 . 1 1 4 4 GLY CA C 93 45.228 45.228 44.776 0.452 17780 2583 1 5 . 1 1 4 4 GLY H H 93 8.331 8.331 8.499 -0.168 17780 2584 1 5 . 1 1 5 5 GLY N N 94 108.857 108.857 108.371 0.486 17780 2585 1 5 . 1 1 5 5 GLY CA C 94 45.172 45.172 44.790 0.382 17780 2586 1 5 . 1 1 5 5 GLY H H 94 8.362 8.362 7.883 0.479 17780 2587 1 5 . 1 1 6 6 THR N N 95 113.538 113.538 112.186 1.352 17780 2588 1 5 . 1 1 6 6 THR HA H 95 4.282 4.282 4.486 -0.204 17780 2589 1 5 . 1 1 6 6 THR CA C 95 61.906 61.906 61.348 0.558 17780 2590 1 5 . 1 1 6 6 THR CB C 95 69.711 69.711 69.812 -0.101 17780 2591 1 5 . 1 1 6 6 THR H H 95 8.129 8.129 8.044 0.085 17780 2592 1 5 . 1 1 7 7 HIS N N 96 121.027 121.027 119.005 2.022 17780 2593 1 5 . 1 1 7 7 HIS HA H 96 4.713 4.713 5.078 -0.365 17780 2594 1 5 . 1 1 7 7 HIS CA C 96 55.169 55.169 55.331 -0.162 17780 2595 1 5 . 1 1 7 7 HIS CB C 96 29.575 29.575 31.377 -1.802 17780 2596 1 5 . 1 1 7 7 HIS H H 96 8.497 8.497 9.265 -0.768 17780 2597 1 5 . 1 1 8 8 SER N N 97 117.031 117.031 119.218 -2.187 17780 2598 1 5 . 1 1 8 8 SER HA H 97 4.405 4.405 4.766 -0.361 17780 2599 1 5 . 1 1 8 8 SER CA C 97 58.379 58.379 56.972 1.407 17780 2600 1 5 . 1 1 8 8 SER CB C 97 63.535 63.535 66.807 -3.272 17780 2601 1 5 . 1 1 8 8 SER H H 97 8.275 8.275 8.042 0.233 17780 2602 1 5 . 1 1 9 9 GLN N N 98 122.084 122.084 120.070 2.014 17780 2603 1 5 . 1 1 9 9 GLN HA H 98 4.279 4.279 4.609 -0.330 17780 2604 1 5 . 1 1 9 9 GLN CA C 98 55.970 55.970 55.626 0.344 17780 2605 1 5 . 1 1 9 9 GLN CB C 98 29.157 29.157 31.802 -2.645 17780 2606 1 5 . 1 1 9 9 GLN H H 98 8.462 8.462 9.020 -0.558 17780 2607 1 5 . 1 1 10 10 TRP N N 99 121.630 121.630 125.436 -3.806 17780 2608 1 5 . 1 1 10 10 TRP HA H 99 4.676 4.676 5.177 -0.501 17780 2609 1 5 . 1 1 10 10 TRP CA C 99 57.046 57.046 57.035 0.011 17780 2610 1 5 . 1 1 10 10 TRP CB C 99 29.440 29.440 31.241 -1.800 17780 2611 1 5 . 1 1 10 10 TRP H H 99 8.086 8.086 8.876 -0.790 17780 2612 1 5 . 1 1 11 11 ASN N N 100 120.591 120.591 120.563 0.028 17780 2613 1 5 . 1 1 11 11 ASN HA H 100 4.602 4.602 4.237 0.365 17780 2614 1 5 . 1 1 11 11 ASN CA C 100 52.675 52.675 51.623 1.052 17780 2615 1 5 . 1 1 11 11 ASN CB C 100 38.781 38.781 40.559 -1.778 17780 2616 1 5 . 1 1 11 11 ASN H H 100 8.095 8.095 7.471 0.624 17780 2617 1 5 . 1 1 12 12 LYS N N 101 122.656 122.656 120.081 2.575 17780 2618 1 5 . 1 1 12 12 LYS HA H 101 4.435 4.435 3.949 0.486 17780 2619 1 5 . 1 1 12 12 LYS CA C 101 54.139 54.139 54.730 -0.591 17780 2620 1 5 . 1 1 12 12 LYS CB C 101 32.474 32.474 32.083 0.391 17780 2621 1 5 . 1 1 12 12 LYS H H 101 7.985 7.985 8.098 -0.113 17780 2622 1 5 . 1 1 13 13 PRO HA H 102 4.425 4.425 4.392 0.033 17780 2623 1 5 . 1 1 13 13 PRO CA C 102 63.065 63.065 63.479 -0.414 17780 2624 1 5 . 1 1 13 13 PRO CB C 102 32.056 32.056 32.264 -0.208 17780 2625 1 5 . 1 1 14 14 SER N N 103 116.881 116.881 114.139 2.742 17780 2626 1 5 . 1 1 14 14 SER HA H 103 4.430 4.430 4.717 -0.287 17780 2627 1 5 . 1 1 14 14 SER CA C 103 57.973 57.973 57.434 0.539 17780 2628 1 5 . 1 1 14 14 SER CB C 103 63.669 63.669 64.436 -0.767 17780 2629 1 5 . 1 1 14 14 SER H H 103 8.420 8.420 7.813 0.607 17780 2630 1 5 . 1 1 15 15 LYS N N 104 124.163 124.163 122.285 1.878 17780 2631 1 5 . 1 1 15 15 LYS HA H 104 4.620 4.620 4.791 -0.171 17780 2632 1 5 . 1 1 15 15 LYS CA C 104 54.160 54.160 54.051 0.109 17780 2633 1 5 . 1 1 15 15 LYS CB C 104 32.606 32.606 32.798 -0.193 17780 2634 1 5 . 1 1 15 15 LYS H H 104 8.321 8.321 8.375 -0.054 17780 2635 1 5 . 1 1 16 16 PRO HA H 105 4.412 4.412 4.659 -0.247 17780 2636 1 5 . 1 1 16 16 PRO CA C 105 63.012 63.012 62.707 0.305 17780 2637 1 5 . 1 1 16 16 PRO CB C 105 32.152 32.152 32.311 -0.159 17780 2638 1 5 . 1 1 17 17 LYS N N 106 122.072 122.072 118.665 3.407 17780 2639 1 5 . 1 1 17 17 LYS HA H 106 4.338 4.338 4.767 -0.429 17780 2640 1 5 . 1 1 17 17 LYS CA C 106 56.299 56.299 55.432 0.867 17780 2641 1 5 . 1 1 17 17 LYS CB C 106 32.928 32.928 35.131 -2.203 17780 2642 1 5 . 1 1 17 17 LYS H H 106 8.516 8.516 8.649 -0.133 17780 2643 1 5 . 1 1 18 18 THR N N 107 115.252 115.252 114.346 0.906 17780 2644 1 5 . 1 1 18 18 THR HA H 107 4.323 4.323 4.780 -0.457 17780 2645 1 5 . 1 1 18 18 THR CA C 107 61.523 61.523 61.364 0.160 17780 2646 1 5 . 1 1 18 18 THR CB C 107 69.778 69.778 70.575 -0.797 17780 2647 1 5 . 1 1 18 18 THR H H 107 8.133 8.133 8.533 -0.400 17780 2648 1 5 . 1 1 19 19 ASN N N 108 121.344 121.344 122.795 -1.451 17780 2649 1 5 . 1 1 19 19 ASN HA H 108 4.712 4.712 4.892 -0.180 17780 2650 1 5 . 1 1 19 19 ASN CA C 108 53.019 53.019 53.151 -0.132 17780 2651 1 5 . 1 1 19 19 ASN CB C 108 38.728 38.728 40.552 -1.824 17780 2652 1 5 . 1 1 19 19 ASN H H 108 8.537 8.537 8.670 -0.133 17780 2653 1 5 . 1 1 20 20 MET N N 109 121.309 121.309 116.882 4.427 17780 2654 1 5 . 1 1 20 20 MET HA H 109 4.437 4.437 4.690 -0.253 17780 2655 1 5 . 1 1 20 20 MET CA C 109 55.446 55.446 56.156 -0.710 17780 2656 1 5 . 1 1 20 20 MET CB C 109 32.809 32.809 33.923 -1.114 17780 2657 1 5 . 1 1 20 20 MET H H 109 8.346 8.346 8.162 0.184 17780 2658 1 5 . 1 1 21 21 LYS N N 110 122.292 122.292 118.960 3.332 17780 2659 1 5 . 1 1 21 21 LYS HA H 110 4.237 4.237 4.334 -0.097 17780 2660 1 5 . 1 1 21 21 LYS CA C 110 56.394 56.394 55.472 0.922 17780 2661 1 5 . 1 1 21 21 LYS CB C 110 32.923 32.923 33.911 -0.988 17780 2662 1 5 . 1 1 21 21 LYS H H 110 8.300 8.300 7.440 0.860 17780 2663 1 5 . 1 1 22 22 HIS N N 111 120.193 120.193 117.517 2.676 17780 2664 1 5 . 1 1 22 22 HIS HA H 111 4.642 4.642 4.789 -0.147 17780 2665 1 5 . 1 1 22 22 HIS CA C 111 55.391 55.391 55.563 -0.172 17780 2666 1 5 . 1 1 22 22 HIS CB C 111 29.501 29.501 31.540 -2.038 17780 2667 1 5 . 1 1 22 22 HIS H H 111 8.406 8.406 8.233 0.173 17780 2668 1 5 . 1 1 23 23 MET N N 112 122.529 122.529 119.714 2.815 17780 2669 1 5 . 1 1 23 23 MET HA H 112 4.464 4.464 5.377 -0.913 17780 2670 1 5 . 1 1 23 23 MET CA C 112 55.125 55.125 54.466 0.659 17780 2671 1 5 . 1 1 23 23 MET CB C 112 32.930 32.930 36.453 -3.523 17780 2672 1 5 . 1 1 23 23 MET H H 112 8.326 8.326 8.954 -0.628 17780 2673 1 5 . 1 1 24 24 ALA N N 113 125.642 125.642 123.119 2.523 17780 2674 1 5 . 1 1 24 24 ALA HA H 113 4.315 4.315 4.714 -0.399 17780 2675 1 5 . 1 1 24 24 ALA CA C 113 52.521 52.521 51.868 0.653 17780 2676 1 5 . 1 1 24 24 ALA CB C 113 19.181 19.181 19.994 -0.813 17780 2677 1 5 . 1 1 24 24 ALA H H 113 8.370 8.370 8.740 -0.370 17780 2678 1 5 . 1 1 25 25 GLY N N 114 108.473 108.473 107.034 1.439 17780 2679 1 5 . 1 1 25 25 GLY CA C 114 45.175 45.175 44.992 0.183 17780 2680 1 5 . 1 1 25 25 GLY H H 114 8.373 8.373 8.193 0.180 17780 2681 1 5 . 1 1 26 26 ALA N N 115 123.872 123.872 121.324 2.548 17780 2682 1 5 . 1 1 26 26 ALA HA H 115 4.316 4.316 4.110 0.206 17780 2683 1 5 . 1 1 26 26 ALA CA C 115 52.496 52.496 53.022 -0.526 17780 2684 1 5 . 1 1 26 26 ALA CB C 115 19.181 19.181 19.211 -0.030 17780 2685 1 5 . 1 1 26 26 ALA H H 115 8.134 8.134 8.123 0.011 17780 2686 1 5 . 1 1 27 27 ALA N N 116 123.172 123.172 120.784 2.388 17780 2687 1 5 . 1 1 27 27 ALA HA H 116 4.287 4.287 4.409 -0.122 17780 2688 1 5 . 1 1 27 27 ALA CA C 116 52.464 52.464 51.698 0.766 17780 2689 1 5 . 1 1 27 27 ALA CB C 116 19.180 19.180 20.208 -1.028 17780 2690 1 5 . 1 1 27 27 ALA H H 116 8.268 8.268 7.547 0.721 17780 2691 1 5 . 1 1 28 28 ALA N N 117 123.253 123.253 123.599 -0.346 17780 2692 1 5 . 1 1 28 28 ALA HA H 117 4.277 4.277 4.755 -0.478 17780 2693 1 5 . 1 1 28 28 ALA CA C 117 52.383 52.383 52.134 0.249 17780 2694 1 5 . 1 1 28 28 ALA CB C 117 19.156 19.156 19.361 -0.205 17780 2695 1 5 . 1 1 28 28 ALA H H 117 8.169 8.169 8.327 -0.158 17780 2696 1 5 . 1 1 29 29 ALA N N 118 123.225 123.225 123.730 -0.505 17780 2697 1 5 . 1 1 29 29 ALA HA H 118 4.282 4.282 4.601 -0.319 17780 2698 1 5 . 1 1 29 29 ALA CA C 118 52.469 52.469 51.692 0.777 17780 2699 1 5 . 1 1 29 29 ALA CB C 118 19.129 19.129 20.170 -1.041 17780 2700 1 5 . 1 1 29 29 ALA H H 118 8.204 8.204 8.096 0.108 17780 2701 1 5 . 1 1 30 30 GLY N N 119 107.906 107.906 107.218 0.688 17780 2702 1 5 . 1 1 30 30 GLY CA C 119 45.089 45.089 45.034 0.055 17780 2703 1 5 . 1 1 30 30 GLY H H 119 8.271 8.271 8.449 -0.178 17780 2704 1 5 . 1 1 31 31 ALA N N 120 123.540 123.540 124.494 -0.954 17780 2705 1 5 . 1 1 31 31 ALA HA H 120 4.339 4.339 4.600 -0.261 17780 2706 1 5 . 1 1 31 31 ALA CA C 120 52.282 52.282 52.627 -0.344 17780 2707 1 5 . 1 1 31 31 ALA CB C 120 19.432 19.432 19.240 0.192 17780 2708 1 5 . 1 1 31 31 ALA H H 120 8.039 8.039 7.852 0.187 17780 2709 1 5 . 1 1 32 32 VAL N N 121 119.579 119.579 114.916 4.663 17780 2710 1 5 . 1 1 32 32 VAL HA H 121 4.117 4.117 3.796 0.321 17780 2711 1 5 . 1 1 32 32 VAL CA C 121 62.142 62.142 62.946 -0.804 17780 2712 1 5 . 1 1 32 32 VAL CB C 121 32.673 32.673 29.765 2.908 17780 2713 1 5 . 1 1 32 32 VAL H H 121 8.109 8.109 8.614 -0.505 17780 2714 1 5 . 1 1 33 33 VAL N N 122 124.655 124.655 122.217 2.438 17780 2715 1 5 . 1 1 33 33 VAL HA H 122 4.081 4.081 3.961 0.120 17780 2716 1 5 . 1 1 33 33 VAL CA C 122 62.430 62.430 63.721 -1.291 17780 2717 1 5 . 1 1 33 33 VAL CB C 122 32.675 32.675 32.342 0.333 17780 2718 1 5 . 1 1 33 33 VAL H H 122 8.262 8.262 7.445 0.817 17780 2719 1 5 . 1 1 34 34 GLY N N 123 113.165 113.165 113.784 -0.619 17780 2720 1 5 . 1 1 34 34 GLY CA C 123 45.264 45.264 45.221 0.043 17780 2721 1 5 . 1 1 34 34 GLY H H 123 8.528 8.528 8.820 -0.292 17780 2722 1 5 . 1 1 35 35 GLY N N 124 108.440 108.440 107.199 1.241 17780 2723 1 5 . 1 1 35 35 GLY CA C 124 45.264 45.264 45.084 0.180 17780 2724 1 5 . 1 1 35 35 GLY H H 124 8.245 8.245 8.352 -0.107 17780 2725 1 5 . 1 1 36 36 LEU N N 125 121.679 121.679 121.528 0.151 17780 2726 1 5 . 1 1 36 36 LEU HA H 125 4.340 4.340 4.018 0.322 17780 2727 1 5 . 1 1 36 36 LEU CA C 125 54.808 54.808 56.316 -1.508 17780 2728 1 5 . 1 1 36 36 LEU CB C 125 42.417 42.417 42.235 0.182 17780 2729 1 5 . 1 1 36 36 LEU H H 125 8.233 8.233 7.795 0.438 17780 2730 1 5 . 1 1 37 37 GLY N N 126 109.818 109.818 106.166 3.652 17780 2731 1 5 . 1 1 37 37 GLY CA C 126 46.266 46.266 45.431 0.835 17780 2732 1 5 . 1 1 37 37 GLY H H 126 8.511 8.511 8.264 0.247 17780 2733 1 5 . 1 1 38 38 GLY N N 127 109.485 109.485 110.005 -0.520 17780 2734 1 5 . 1 1 38 38 GLY CA C 127 45.029 45.029 45.419 -0.390 17780 2735 1 5 . 1 1 38 38 GLY H H 127 8.374 8.374 7.964 0.410 17780 2736 1 5 . 1 1 39 39 TYR N N 128 117.683 117.683 120.958 -3.275 17780 2737 1 5 . 1 1 39 39 TYR HA H 128 4.501 4.501 4.586 -0.085 17780 2738 1 5 . 1 1 39 39 TYR CA C 128 58.050 58.050 56.719 1.331 17780 2739 1 5 . 1 1 39 39 TYR CB C 128 40.362 40.362 41.167 -0.805 17780 2740 1 5 . 1 1 39 39 TYR H H 128 7.746 7.746 8.248 -0.502 17780 2741 1 5 . 1 1 40 40 MET N N 129 120.902 120.902 116.477 4.425 17780 2742 1 5 . 1 1 40 40 MET HA H 129 4.534 4.534 4.741 -0.207 17780 2743 1 5 . 1 1 40 40 MET CA C 129 53.516 53.516 53.880 -0.364 17780 2744 1 5 . 1 1 40 40 MET CB C 129 34.851 34.851 36.402 -1.551 17780 2745 1 5 . 1 1 40 40 MET H H 129 9.005 9.005 8.797 0.208 17780 2746 1 5 . 1 1 41 41 LEU N N 130 121.514 121.514 115.360 6.154 17780 2747 1 5 . 1 1 41 41 LEU HA H 130 4.464 4.464 5.154 -0.690 17780 2748 1 5 . 1 1 41 41 LEU CA C 130 53.359 53.359 53.149 0.210 17780 2749 1 5 . 1 1 41 41 LEU CB C 130 43.482 43.482 43.955 -0.473 17780 2750 1 5 . 1 1 41 41 LEU H H 130 8.034 8.034 8.215 -0.181 17780 2751 1 5 . 1 1 42 42 GLY N N 131 114.895 114.895 108.074 6.821 17780 2752 1 5 . 1 1 42 42 GLY CA C 131 44.698 44.698 44.968 -0.270 17780 2753 1 5 . 1 1 42 42 GLY H H 131 9.375 9.375 8.751 0.624 17780 2754 1 5 . 1 1 43 43 SER N N 132 113.692 113.692 117.315 -3.623 17780 2755 1 5 . 1 1 43 43 SER HA H 132 4.429 4.429 4.458 -0.029 17780 2756 1 5 . 1 1 43 43 SER CA C 132 58.191 58.191 58.659 -0.468 17780 2757 1 5 . 1 1 43 43 SER CB C 132 63.938 63.938 64.323 -0.385 17780 2758 1 5 . 1 1 43 43 SER H H 132 8.345 8.345 8.375 -0.030 17780 2759 1 5 . 1 1 44 44 ALA N N 133 125.505 125.505 123.221 2.284 17780 2760 1 5 . 1 1 44 44 ALA HA H 133 4.437 4.437 4.626 -0.189 17780 2761 1 5 . 1 1 44 44 ALA CA C 133 52.936 52.936 51.966 0.970 17780 2762 1 5 . 1 1 44 44 ALA CB C 133 18.412 18.412 20.783 -2.371 17780 2763 1 5 . 1 1 44 44 ALA H H 133 8.735 8.735 8.129 0.606 17780 2764 1 5 . 1 1 45 45 MET N N 134 120.707 120.707 121.764 -1.057 17780 2765 1 5 . 1 1 45 45 MET HA H 134 4.756 4.756 4.879 -0.123 17780 2766 1 5 . 1 1 45 45 MET CA C 134 54.242 54.242 54.735 -0.493 17780 2767 1 5 . 1 1 45 45 MET CB C 134 36.727 36.727 36.016 0.711 17780 2768 1 5 . 1 1 45 45 MET H H 134 8.686 8.686 8.532 0.154 17780 2769 1 5 . 1 1 46 46 SER N N 135 116.235 116.235 116.829 -0.594 17780 2770 1 5 . 1 1 46 46 SER HA H 135 4.375 4.375 4.524 -0.149 17780 2771 1 5 . 1 1 46 46 SER CA C 135 58.410 58.410 58.021 0.389 17780 2772 1 5 . 1 1 46 46 SER CB C 135 63.016 63.016 63.805 -0.789 17780 2773 1 5 . 1 1 46 46 SER H H 135 8.397 8.397 8.419 -0.022 17780 2774 1 5 . 1 1 47 47 ARG N N 136 126.632 126.632 123.058 3.574 17780 2775 1 5 . 1 1 47 47 ARG HA H 136 4.406 4.406 4.679 -0.273 17780 2776 1 5 . 1 1 47 47 ARG CA C 136 54.783 54.783 52.918 1.865 17780 2777 1 5 . 1 1 47 47 ARG CB C 136 29.040 29.040 28.960 0.080 17780 2778 1 5 . 1 1 47 47 ARG H H 136 8.668 8.668 8.673 -0.005 17780 2779 1 5 . 1 1 48 48 PRO HA H 137 4.422 4.422 4.518 -0.096 17780 2780 1 5 . 1 1 48 48 PRO CA C 137 62.327 62.327 62.506 -0.179 17780 2781 1 5 . 1 1 48 48 PRO CB C 137 32.269 32.269 32.370 -0.101 17780 2782 1 5 . 1 1 49 49 ILE N N 138 122.521 122.521 120.562 1.959 17780 2783 1 5 . 1 1 49 49 ILE HA H 138 4.148 4.148 4.018 0.130 17780 2784 1 5 . 1 1 49 49 ILE CA C 138 60.916 60.916 60.612 0.304 17780 2785 1 5 . 1 1 49 49 ILE CB C 138 36.234 36.234 38.434 -2.200 17780 2786 1 5 . 1 1 49 49 ILE H H 138 8.603 8.603 8.058 0.545 17780 2787 1 5 . 1 1 50 50 ILE N N 139 126.683 126.683 126.119 0.564 17780 2788 1 5 . 1 1 50 50 ILE HA H 139 3.927 3.927 3.738 0.189 17780 2789 1 5 . 1 1 50 50 ILE CA C 139 58.700 58.700 58.789 -0.089 17780 2790 1 5 . 1 1 50 50 ILE CB C 139 39.345 39.345 40.584 -1.239 17780 2791 1 5 . 1 1 50 50 ILE H H 139 6.514 6.514 8.026 -1.512 17780 2792 1 5 . 1 1 51 51 HIS N N 140 121.997 121.997 123.173 -1.176 17780 2793 1 5 . 1 1 51 51 HIS HA H 140 4.918 4.918 4.463 0.455 17780 2794 1 5 . 1 1 51 51 HIS CA C 140 54.065 54.065 55.018 -0.953 17780 2795 1 5 . 1 1 51 51 HIS CB C 140 29.466 29.466 27.548 1.918 17780 2796 1 5 . 1 1 51 51 HIS H H 140 8.203 8.203 7.451 0.752 17780 2797 1 5 . 1 1 52 52 PHE N N 141 124.334 124.334 122.602 1.732 17780 2798 1 5 . 1 1 52 52 PHE HA H 141 4.348 4.348 4.342 0.006 17780 2799 1 5 . 1 1 52 52 PHE CA C 141 59.251 59.251 59.780 -0.529 17780 2800 1 5 . 1 1 52 52 PHE CB C 141 41.448 41.448 39.454 1.994 17780 2801 1 5 . 1 1 52 52 PHE H H 141 10.160 10.160 7.798 2.362 17780 2802 1 5 . 1 1 53 53 GLY N N 142 108.368 108.368 104.480 3.888 17780 2803 1 5 . 1 1 53 53 GLY CA C 142 45.516 45.516 45.354 0.162 17780 2804 1 5 . 1 1 53 53 GLY H H 142 8.984 8.984 8.604 0.380 17780 2805 1 5 . 1 1 54 54 SER N N 143 111.819 111.819 114.680 -2.861 17780 2806 1 5 . 1 1 54 54 SER HA H 143 4.810 4.810 4.539 0.271 17780 2807 1 5 . 1 1 54 54 SER CA C 143 56.498 56.498 56.879 -0.381 17780 2808 1 5 . 1 1 54 54 SER CB C 143 65.964 65.964 64.436 1.528 17780 2809 1 5 . 1 1 54 54 SER H H 143 7.334 7.334 7.280 0.054 17780 2810 1 5 . 1 1 55 55 ASP N N 144 124.249 124.249 123.351 0.898 17780 2811 1 5 . 1 1 55 55 ASP HA H 144 4.500 4.500 4.397 0.103 17780 2812 1 5 . 1 1 55 55 ASP CA C 144 57.493 57.493 57.536 -0.043 17780 2813 1 5 . 1 1 55 55 ASP CB C 144 40.664 40.664 40.959 -0.295 17780 2814 1 5 . 1 1 55 55 ASP H H 144 9.014 9.014 8.633 0.381 17780 2815 1 5 . 1 1 56 56 TYR N N 145 118.991 118.991 115.597 3.394 17780 2816 1 5 . 1 1 56 56 TYR HA H 145 4.196 4.196 4.448 -0.252 17780 2817 1 5 . 1 1 56 56 TYR CA C 145 61.351 61.351 59.746 1.605 17780 2818 1 5 . 1 1 56 56 TYR CB C 145 38.075 38.075 37.361 0.714 17780 2819 1 5 . 1 1 56 56 TYR H H 145 8.551 8.551 7.831 0.720 17780 2820 1 5 . 1 1 57 57 GLU N N 146 119.217 119.217 120.033 -0.816 17780 2821 1 5 . 1 1 57 57 GLU HA H 146 3.563 3.563 4.408 -0.845 17780 2822 1 5 . 1 1 57 57 GLU CA C 146 59.921 59.921 59.255 0.666 17780 2823 1 5 . 1 1 57 57 GLU CB C 146 30.297 30.297 29.597 0.700 17780 2824 1 5 . 1 1 57 57 GLU H H 146 7.741 7.741 7.526 0.215 17780 2825 1 5 . 1 1 58 58 ASP N N 147 119.565 119.565 121.574 -2.009 17780 2826 1 5 . 1 1 58 58 ASP HA H 147 4.498 4.498 4.613 -0.115 17780 2827 1 5 . 1 1 58 58 ASP CA C 147 58.185 58.185 57.507 0.678 17780 2828 1 5 . 1 1 58 58 ASP CB C 147 40.598 40.598 40.996 -0.398 17780 2829 1 5 . 1 1 58 58 ASP H H 147 8.139 8.139 8.285 -0.146 17780 2830 1 5 . 1 1 59 59 ARG N N 148 120.296 120.296 118.735 1.561 17780 2831 1 5 . 1 1 59 59 ARG HA H 148 4.004 4.004 4.046 -0.042 17780 2832 1 5 . 1 1 59 59 ARG CA C 148 59.393 59.393 58.975 0.418 17780 2833 1 5 . 1 1 59 59 ARG CB C 148 29.910 29.910 29.797 0.113 17780 2834 1 5 . 1 1 59 59 ARG H H 148 8.181 8.181 8.507 -0.326 17780 2835 1 5 . 1 1 60 60 TYR N N 149 121.152 121.152 122.080 -0.928 17780 2836 1 5 . 1 1 60 60 TYR HA H 149 3.819 3.819 4.475 -0.656 17780 2837 1 5 . 1 1 60 60 TYR CA C 149 62.195 62.195 59.277 2.918 17780 2838 1 5 . 1 1 60 60 TYR CB C 149 37.808 37.808 38.328 -0.520 17780 2839 1 5 . 1 1 60 60 TYR H H 149 8.333 8.333 7.653 0.680 17780 2840 1 5 . 1 1 61 61 TYR N N 150 120.365 120.365 121.748 -1.383 17780 2841 1 5 . 1 1 61 61 TYR HA H 150 4.122 4.122 3.428 0.694 17780 2842 1 5 . 1 1 61 61 TYR CA C 150 62.969 62.969 60.693 2.276 17780 2843 1 5 . 1 1 61 61 TYR CB C 150 38.207 38.207 38.073 0.134 17780 2844 1 5 . 1 1 61 61 TYR H H 150 8.942 8.942 8.182 0.760 17780 2845 1 5 . 1 1 62 62 ARG N N 151 117.982 117.982 116.600 1.382 17780 2846 1 5 . 1 1 62 62 ARG HA H 151 3.938 3.938 3.433 0.505 17780 2847 1 5 . 1 1 62 62 ARG CA C 151 59.940 59.940 58.691 1.250 17780 2848 1 5 . 1 1 62 62 ARG CB C 151 29.731 29.731 29.637 0.094 17780 2849 1 5 . 1 1 62 62 ARG H H 151 7.938 7.938 7.727 0.211 17780 2850 1 5 . 1 1 63 63 GLU N N 152 116.389 116.389 118.550 -2.161 17780 2851 1 5 . 1 1 63 63 GLU HA H 152 4.059 4.059 3.981 0.078 17780 2852 1 5 . 1 1 63 63 GLU CA C 152 57.990 57.990 58.912 -0.922 17780 2853 1 5 . 1 1 63 63 GLU CB C 152 29.915 29.915 29.352 0.563 17780 2854 1 5 . 1 1 63 63 GLU H H 152 8.068 8.068 7.703 0.365 17780 2855 1 5 . 1 1 64 64 ASN N N 153 114.690 114.690 115.771 -1.081 17780 2856 1 5 . 1 1 64 64 ASN HA H 153 4.406 4.406 4.386 0.020 17780 2857 1 5 . 1 1 64 64 ASN CA C 153 54.814 54.814 53.807 1.007 17780 2858 1 5 . 1 1 64 64 ASN CB C 153 41.178 41.178 37.911 3.267 17780 2859 1 5 . 1 1 64 64 ASN H H 153 7.525 7.525 7.386 0.139 17780 2860 1 5 . 1 1 65 65 MET N N 154 119.058 119.058 120.994 -1.936 17780 2861 1 5 . 1 1 65 65 MET HA H 154 3.417 3.417 3.650 -0.233 17780 2862 1 5 . 1 1 65 65 MET CA C 154 59.193 59.193 58.612 0.581 17780 2863 1 5 . 1 1 65 65 MET CB C 154 30.258 30.258 31.749 -1.491 17780 2864 1 5 . 1 1 65 65 MET H H 154 7.993 7.993 7.304 0.689 17780 2865 1 5 . 1 1 66 66 HIS N N 155 116.083 116.083 117.744 -1.661 17780 2866 1 5 . 1 1 66 66 HIS HA H 155 4.208 4.208 4.310 -0.102 17780 2867 1 5 . 1 1 66 66 HIS CA C 155 57.382 57.382 58.875 -1.493 17780 2868 1 5 . 1 1 66 66 HIS CB C 155 28.955 28.955 29.942 -0.987 17780 2869 1 5 . 1 1 66 66 HIS H H 155 7.988 7.988 7.684 0.304 17780 2870 1 5 . 1 1 67 67 ARG N N 156 118.993 118.993 116.618 2.375 17780 2871 1 5 . 1 1 67 67 ARG HA H 156 4.133 4.133 4.419 -0.286 17780 2872 1 5 . 1 1 67 67 ARG CA C 156 56.135 56.135 56.449 -0.314 17780 2873 1 5 . 1 1 67 67 ARG CB C 156 30.521 30.521 30.587 -0.066 17780 2874 1 5 . 1 1 67 67 ARG H H 156 7.488 7.488 7.523 -0.035 17780 2875 1 5 . 1 1 68 68 TYR N N 157 121.321 121.321 119.971 1.350 17780 2876 1 5 . 1 1 68 68 TYR HA H 157 4.991 4.991 4.801 0.190 17780 2877 1 5 . 1 1 68 68 TYR CA C 157 52.644 52.644 53.874 -1.230 17780 2878 1 5 . 1 1 68 68 TYR CB C 157 34.873 34.873 38.049 -3.176 17780 2879 1 5 . 1 1 68 68 TYR H H 157 7.433 7.433 7.436 -0.003 17780 2880 1 5 . 1 1 69 69 PRO HA H 158 4.338 4.338 4.444 -0.106 17780 2881 1 5 . 1 1 69 69 PRO CA C 158 63.651 63.651 62.722 0.929 17780 2882 1 5 . 1 1 69 69 PRO CB C 158 32.005 32.005 33.045 -1.040 17780 2883 1 5 . 1 1 70 70 ASN N N 159 116.696 116.696 116.504 0.192 17780 2884 1 5 . 1 1 70 70 ASN HA H 159 4.690 4.690 4.579 0.111 17780 2885 1 5 . 1 1 70 70 ASN CA C 159 51.997 51.997 53.794 -1.797 17780 2886 1 5 . 1 1 70 70 ASN CB C 159 38.375 38.375 39.313 -0.938 17780 2887 1 5 . 1 1 70 70 ASN H H 159 8.673 8.673 8.570 0.103 17780 2888 1 5 . 1 1 71 71 GLN N N 160 114.313 114.313 117.381 -3.068 17780 2889 1 5 . 1 1 71 71 GLN HA H 160 4.523 4.523 4.654 -0.131 17780 2890 1 5 . 1 1 71 71 GLN CA C 160 54.286 54.286 54.453 -0.167 17780 2891 1 5 . 1 1 71 71 GLN CB C 160 32.975 32.975 32.603 0.372 17780 2892 1 5 . 1 1 71 71 GLN H H 160 7.319 7.319 7.726 -0.407 17780 2893 1 5 . 1 1 72 72 VAL N N 161 112.569 112.569 115.858 -3.289 17780 2894 1 5 . 1 1 72 72 VAL HA H 161 4.927 4.927 4.486 0.441 17780 2895 1 5 . 1 1 72 72 VAL CA C 161 58.651 58.651 60.411 -1.760 17780 2896 1 5 . 1 1 72 72 VAL CB C 161 33.812 33.812 33.937 -0.125 17780 2897 1 5 . 1 1 72 72 VAL H H 161 8.477 8.477 8.191 0.286 17780 2898 1 5 . 1 1 73 73 TYR N N 162 121.525 121.525 124.657 -3.132 17780 2899 1 5 . 1 1 73 73 TYR HA H 162 5.507 5.507 5.414 0.093 17780 2900 1 5 . 1 1 73 73 TYR CA C 162 57.133 57.133 56.143 0.990 17780 2901 1 5 . 1 1 73 73 TYR CB C 162 41.970 41.970 41.670 0.300 17780 2902 1 5 . 1 1 73 73 TYR H H 162 8.490 8.490 8.515 -0.025 17780 2903 1 5 . 1 1 74 74 TYR N N 163 111.081 111.081 119.646 -8.565 17780 2904 1 5 . 1 1 74 74 TYR HA H 163 4.758 4.758 5.197 -0.439 17780 2905 1 5 . 1 1 74 74 TYR CA C 163 55.367 55.367 56.769 -1.402 17780 2906 1 5 . 1 1 74 74 TYR CB C 163 40.401 40.401 40.079 0.322 17780 2907 1 5 . 1 1 74 74 TYR H H 163 8.593 8.593 8.732 -0.139 17780 2908 1 5 . 1 1 76 76 PRO HA H 165 4.490 4.490 4.476 0.014 17780 2909 1 5 . 1 1 76 76 PRO CA C 165 62.967 62.967 63.478 -0.511 17780 2910 1 5 . 1 1 76 76 PRO CB C 165 32.372 32.372 32.587 -0.214 17780 2911 1 5 . 1 1 77 77 MET N N 166 121.408 121.408 118.331 3.077 17780 2912 1 5 . 1 1 77 77 MET HA H 166 4.438 4.438 3.811 0.627 17780 2913 1 5 . 1 1 77 77 MET CA C 166 57.081 57.081 54.984 2.097 17780 2914 1 5 . 1 1 77 77 MET CB C 166 32.165 32.165 31.030 1.135 17780 2915 1 5 . 1 1 77 77 MET H H 166 9.013 9.013 8.274 0.739 17780 2916 1 5 . 1 1 78 78 ASP N N 167 119.933 119.933 120.835 -0.902 17780 2917 1 5 . 1 1 78 78 ASP HA H 167 4.754 4.754 4.801 -0.047 17780 2918 1 5 . 1 1 78 78 ASP CA C 167 52.485 52.485 53.679 -1.194 17780 2919 1 5 . 1 1 78 78 ASP CB C 167 38.802 38.802 42.016 -3.214 17780 2920 1 5 . 1 1 78 78 ASP H H 167 8.176 8.176 7.906 0.270 17780 2921 1 5 . 1 1 79 79 GLU N N 168 116.934 116.934 121.785 -4.851 17780 2922 1 5 . 1 1 79 79 GLU HA H 168 4.308 4.308 3.819 0.489 17780 2923 1 5 . 1 1 79 79 GLU CA C 168 58.638 58.638 58.920 -0.282 17780 2924 1 5 . 1 1 79 79 GLU CB C 168 29.185 29.185 28.988 0.197 17780 2925 1 5 . 1 1 79 79 GLU H H 168 8.332 8.332 8.735 -0.403 17780 2926 1 5 . 1 1 81 81 SER N N 170 116.603 116.603 116.980 -0.377 17780 2927 1 5 . 1 1 81 81 SER HA H 170 4.374 4.374 4.462 -0.088 17780 2928 1 5 . 1 1 81 81 SER CA C 170 58.475 58.475 58.565 -0.090 17780 2929 1 5 . 1 1 81 81 SER CB C 170 63.677 63.677 61.929 1.748 17780 2930 1 5 . 1 1 81 81 SER H H 170 8.560 8.560 8.113 0.447 17780 2931 1 5 . 1 1 83 83 GLN N N 172 120.404 120.404 120.173 0.231 17780 2932 1 5 . 1 1 83 83 GLN HA H 172 4.750 4.750 4.748 0.002 17780 2933 1 5 . 1 1 83 83 GLN CA C 172 59.899 59.899 54.682 5.217 17780 2934 1 5 . 1 1 83 83 GLN CB C 172 29.023 29.023 32.487 -3.465 17780 2935 1 5 . 1 1 83 83 GLN H H 172 8.635 8.635 7.635 1.000 17780 2936 1 5 . 1 1 84 84 ASN N N 173 116.470 116.470 122.161 -5.691 17780 2937 1 5 . 1 1 84 84 ASN HA H 173 4.237 4.237 4.079 0.158 17780 2938 1 5 . 1 1 84 84 ASN CA C 173 56.470 56.470 55.915 0.555 17780 2939 1 5 . 1 1 84 84 ASN CB C 173 37.812 37.812 38.136 -0.324 17780 2940 1 5 . 1 1 84 84 ASN H H 173 8.352 8.352 8.996 -0.644 17780 2941 1 5 . 1 1 85 85 ASN N N 174 118.500 118.500 119.265 -0.765 17780 2942 1 5 . 1 1 85 85 ASN HA H 174 4.534 4.534 4.318 0.216 17780 2943 1 5 . 1 1 85 85 ASN CA C 174 55.905 55.905 55.221 0.684 17780 2944 1 5 . 1 1 85 85 ASN CB C 174 37.760 37.760 38.006 -0.246 17780 2945 1 5 . 1 1 85 85 ASN H H 174 8.602 8.602 8.368 0.234 17780 2946 1 5 . 1 1 86 86 PHE CB C 175 39.641 39.641 38.321 1.321 17780 2947 1 5 . 1 1 87 87 VAL N N 176 120.134 120.134 120.798 -0.664 17780 2948 1 5 . 1 1 87 87 VAL HA H 176 3.564 3.564 2.558 1.006 17780 2949 1 5 . 1 1 87 87 VAL CA C 176 67.737 67.737 65.588 2.149 17780 2950 1 5 . 1 1 87 87 VAL CB C 176 31.951 31.951 30.788 1.163 17780 2951 1 5 . 1 1 87 87 VAL H H 176 9.002 9.002 7.315 1.687 17780 2952 1 5 . 1 1 88 88 HIS N N 177 117.217 117.217 118.153 -0.936 17780 2953 1 5 . 1 1 88 88 HIS HA H 177 4.304 4.304 4.131 0.173 17780 2954 1 5 . 1 1 88 88 HIS CA C 177 59.781 59.781 58.681 1.100 17780 2955 1 5 . 1 1 88 88 HIS CB C 177 28.264 28.264 29.801 -1.537 17780 2956 1 5 . 1 1 88 88 HIS H H 177 8.330 8.330 7.691 0.639 17780 2957 1 5 . 1 1 89 89 ASP N N 178 118.497 118.497 119.402 -0.905 17780 2958 1 5 . 1 1 89 89 ASP HA H 178 4.500 4.500 4.605 -0.105 17780 2959 1 5 . 1 1 89 89 ASP CA C 178 57.423 57.423 56.323 1.100 17780 2960 1 5 . 1 1 89 89 ASP CB C 178 41.792 41.792 41.231 0.561 17780 2961 1 5 . 1 1 89 89 ASP H H 178 7.696 7.696 7.871 -0.175 17780 2962 1 5 . 1 1 90 90 CYS N N 179 119.012 119.012 120.353 -1.341 17780 2963 1 5 . 1 1 90 90 CYS HA H 179 4.753 4.753 4.301 0.452 17780 2964 1 5 . 1 1 90 90 CYS CA C 179 58.466 58.466 62.433 -3.967 17780 2965 1 5 . 1 1 90 90 CYS CB C 179 40.758 40.758 25.634 15.124 17780 2966 1 5 . 1 1 90 90 CYS H H 179 8.037 8.037 7.684 0.353 17780 2967 1 5 . 1 1 91 91 VAL N N 180 125.063 125.063 120.664 4.399 17780 2968 1 5 . 1 1 91 91 VAL HA H 180 3.667 3.667 3.604 0.063 17780 2969 1 5 . 1 1 91 91 VAL CA C 180 66.293 66.293 66.924 -0.631 17780 2970 1 5 . 1 1 91 91 VAL CB C 180 32.028 32.028 31.957 0.071 17780 2971 1 5 . 1 1 91 91 VAL H H 180 9.212 9.212 8.658 0.554 17780 2972 1 5 . 1 1 92 92 ASN N N 181 116.153 116.153 119.070 -2.917 17780 2973 1 5 . 1 1 92 92 ASN HA H 181 4.311 4.311 4.451 -0.140 17780 2974 1 5 . 1 1 92 92 ASN CA C 181 56.622 56.622 56.286 0.336 17780 2975 1 5 . 1 1 92 92 ASN CB C 181 38.749 38.749 38.200 0.549 17780 2976 1 5 . 1 1 92 92 ASN H H 181 7.626 7.626 7.448 0.178 17780 2977 1 5 . 1 1 93 93 ILE N N 182 118.637 118.637 119.900 -1.263 17780 2978 1 5 . 1 1 93 93 ILE HA H 182 3.787 3.787 3.725 0.062 17780 2979 1 5 . 1 1 93 93 ILE CA C 182 62.078 62.078 64.022 -1.944 17780 2980 1 5 . 1 1 93 93 ILE CB C 182 36.535 36.535 36.444 0.091 17780 2981 1 5 . 1 1 93 93 ILE H H 182 8.610 8.610 8.666 -0.056 17780 2982 1 5 . 1 1 94 94 THR N N 183 118.229 118.229 117.692 0.537 17780 2983 1 5 . 1 1 94 94 THR HA H 183 4.097 4.097 4.045 0.053 17780 2984 1 5 . 1 1 94 94 THR CA C 183 68.834 68.834 67.332 1.502 17780 2985 1 5 . 1 1 94 94 THR CB C 183 68.258 68.258 68.785 -0.527 17780 2986 1 5 . 1 1 94 94 THR H H 183 8.140 8.140 8.130 0.010 17780 2987 1 5 . 1 1 95 95 ILE N N 184 120.906 120.906 121.282 -0.376 17780 2988 1 5 . 1 1 95 95 ILE HA H 184 3.666 3.666 3.917 -0.251 17780 2989 1 5 . 1 1 95 95 ILE CA C 184 66.259 66.259 63.324 2.935 17780 2990 1 5 . 1 1 95 95 ILE CB C 184 36.824 36.824 37.916 -1.092 17780 2991 1 5 . 1 1 95 95 ILE H H 184 8.450 8.450 7.838 0.612 17780 2992 1 5 . 1 1 96 96 LYS N N 185 123.208 123.208 121.592 1.616 17780 2993 1 5 . 1 1 96 96 LYS HA H 185 4.067 4.067 3.841 0.226 17780 2994 1 5 . 1 1 96 96 LYS CA C 185 59.987 59.987 60.261 -0.274 17780 2995 1 5 . 1 1 96 96 LYS CB C 185 32.119 32.119 32.150 -0.031 17780 2996 1 5 . 1 1 96 96 LYS H H 185 8.067 8.067 8.494 -0.427 17780 2997 1 5 . 1 1 97 97 GLN N N 186 116.879 116.879 118.107 -1.228 17780 2998 1 5 . 1 1 97 97 GLN HA H 186 4.059 4.059 3.998 0.061 17780 2999 1 5 . 1 1 97 97 GLN CA C 186 58.010 58.010 58.844 -0.834 17780 3000 1 5 . 1 1 97 97 GLN CB C 186 27.982 27.982 28.248 -0.266 17780 3001 1 5 . 1 1 97 97 GLN H H 186 8.493 8.493 8.413 0.080 17780 3002 1 5 . 1 1 98 98 HIS N N 187 119.676 119.676 121.728 -2.052 17780 3003 1 5 . 1 1 98 98 HIS HA H 187 4.579 4.579 4.467 0.112 17780 3004 1 5 . 1 1 98 98 HIS CA C 187 59.465 59.465 59.292 0.173 17780 3005 1 5 . 1 1 98 98 HIS CB C 187 31.628 31.628 29.858 1.770 17780 3006 1 5 . 1 1 98 98 HIS H H 187 8.435 8.435 7.683 0.752 17780 3007 1 5 . 1 1 99 99 THR N N 188 114.500 114.500 115.075 -0.575 17780 3008 1 5 . 1 1 99 99 THR HA H 188 4.090 4.090 3.685 0.405 17780 3009 1 5 . 1 1 99 99 THR CA C 188 66.210 66.210 66.226 -0.016 17780 3010 1 5 . 1 1 99 99 THR CB C 188 68.800 68.800 68.564 0.237 17780 3011 1 5 . 1 1 99 99 THR H H 188 8.440 8.440 8.255 0.185 17780 3012 1 5 . 1 1 100 100 VAL N N 189 122.934 122.934 120.781 2.153 17780 3013 1 5 . 1 1 100 100 VAL HA H 189 3.838 3.838 3.750 0.088 17780 3014 1 5 . 1 1 100 100 VAL CA C 189 65.832 65.832 65.421 0.411 17780 3015 1 5 . 1 1 100 100 VAL CB C 189 31.897 31.897 31.799 0.098 17780 3016 1 5 . 1 1 100 100 VAL H H 189 8.057 8.057 7.843 0.214 17780 3017 1 5 . 1 1 101 101 THR N N 190 115.101 115.101 112.558 2.543 17780 3018 1 5 . 1 1 101 101 THR HA H 190 4.140 4.140 4.058 0.082 17780 3019 1 5 . 1 1 101 101 THR CA C 190 64.907 64.907 65.871 -0.964 17780 3020 1 5 . 1 1 101 101 THR CB C 190 69.041 69.041 68.573 0.468 17780 3021 1 5 . 1 1 101 101 THR H H 190 8.131 8.131 7.695 0.436 17780 3022 1 5 . 1 1 102 102 THR N N 191 114.546 114.546 118.901 -4.355 17780 3023 1 5 . 1 1 102 102 THR HA H 191 4.092 4.092 3.916 0.176 17780 3024 1 5 . 1 1 102 102 THR CA C 191 64.801 64.801 67.659 -2.858 17780 3025 1 5 . 1 1 102 102 THR CB C 191 69.145 69.145 68.511 0.634 17780 3026 1 5 . 1 1 102 102 THR H H 191 8.011 8.011 7.982 0.029 17780 3027 1 5 . 1 1 103 103 THR N N 192 117.876 117.876 112.976 4.900 17780 3028 1 5 . 1 1 103 103 THR HA H 192 4.373 4.373 4.699 -0.326 17780 3029 1 5 . 1 1 103 103 THR CA C 192 64.935 64.935 64.968 -0.033 17780 3030 1 5 . 1 1 103 103 THR CB C 192 69.043 69.043 68.580 0.463 17780 3031 1 5 . 1 1 103 103 THR H H 192 8.224 8.224 7.605 0.619 17780 3032 1 5 . 1 1 104 104 THR N N 193 116.232 116.232 118.106 -1.874 17780 3033 1 5 . 1 1 104 104 THR HA H 193 4.204 4.204 4.100 0.104 17780 3034 1 5 . 1 1 104 104 THR CA C 193 64.311 64.311 65.615 -1.304 17780 3035 1 5 . 1 1 104 104 THR CB C 193 68.981 68.981 68.644 0.337 17780 3036 1 5 . 1 1 104 104 THR H H 193 7.805 7.805 7.512 0.293 17780 3037 1 5 . 1 1 105 105 LYS N N 194 119.843 119.843 118.471 1.372 17780 3038 1 5 . 1 1 105 105 LYS HA H 194 4.384 4.384 4.398 -0.014 17780 3039 1 5 . 1 1 105 105 LYS CA C 194 56.220 56.220 55.398 0.822 17780 3040 1 5 . 1 1 105 105 LYS CB C 194 32.527 32.527 32.521 0.006 17780 3041 1 5 . 1 1 105 105 LYS H H 194 7.504 7.504 7.745 -0.241 17780 3042 1 5 . 1 1 106 106 GLY N N 195 107.946 107.946 107.837 0.109 17780 3043 1 5 . 1 1 106 106 GLY CA C 195 45.431 45.431 45.328 0.103 17780 3044 1 5 . 1 1 106 106 GLY H H 195 7.924 7.924 7.642 0.282 17780 3045 1 5 . 1 1 107 107 GLU N N 196 120.063 120.063 120.042 0.021 17780 3046 1 5 . 1 1 107 107 GLU HA H 196 4.255 4.255 4.663 -0.408 17780 3047 1 5 . 1 1 107 107 GLU CA C 196 55.597 55.597 54.679 0.918 17780 3048 1 5 . 1 1 107 107 GLU CB C 196 31.073 31.073 32.689 -1.616 17780 3049 1 5 . 1 1 107 107 GLU H H 196 7.465 7.465 8.321 -0.856 17780 3050 1 5 . 1 1 108 108 ASN N N 197 119.350 119.350 118.642 0.708 17780 3051 1 5 . 1 1 108 108 ASN HA H 197 4.657 4.657 5.080 -0.423 17780 3052 1 5 . 1 1 108 108 ASN CA C 197 52.673 52.673 53.217 -0.544 17780 3053 1 5 . 1 1 108 108 ASN CB C 197 40.827 40.827 40.033 0.794 17780 3054 1 5 . 1 1 108 108 ASN H H 197 8.458 8.458 8.532 -0.074 17780 3055 1 5 . 1 1 109 109 PHE N N 198 121.688 121.688 120.198 1.490 17780 3056 1 5 . 1 1 109 109 PHE HA H 198 5.317 5.317 4.856 0.461 17780 3057 1 5 . 1 1 109 109 PHE CA C 198 56.571 56.571 56.689 -0.118 17780 3058 1 5 . 1 1 109 109 PHE CB C 198 40.093 40.093 42.607 -2.514 17780 3059 1 5 . 1 1 109 109 PHE H H 198 8.709 8.709 8.483 0.226 17780 3060 1 5 . 1 1 110 110 THR N N 199 115.904 115.904 115.470 0.434 17780 3061 1 5 . 1 1 110 110 THR HA H 199 4.624 4.624 4.581 0.043 17780 3062 1 5 . 1 1 110 110 THR CA C 199 60.343 60.343 61.025 -0.682 17780 3063 1 5 . 1 1 110 110 THR CB C 199 72.033 72.033 70.489 1.544 17780 3064 1 5 . 1 1 110 110 THR H H 199 9.547 9.547 8.931 0.616 17780 3065 1 5 . 1 1 111 111 GLU N N 200 119.988 119.988 121.279 -1.291 17780 3066 1 5 . 1 1 111 111 GLU HA H 200 4.067 4.067 3.987 0.080 17780 3067 1 5 . 1 1 111 111 GLU CA C 200 60.027 60.027 59.920 0.107 17780 3068 1 5 . 1 1 111 111 GLU CB C 200 28.976 28.976 28.765 0.211 17780 3069 1 5 . 1 1 111 111 GLU H H 200 9.132 9.132 8.921 0.211 17780 3070 1 5 . 1 1 112 112 THR N N 201 116.221 116.221 116.280 -0.059 17780 3071 1 5 . 1 1 112 112 THR HA H 201 3.796 3.796 4.074 -0.278 17780 3072 1 5 . 1 1 112 112 THR CA C 201 66.781 66.781 66.509 0.272 17780 3073 1 5 . 1 1 112 112 THR CB C 201 68.581 68.581 68.488 0.093 17780 3074 1 5 . 1 1 112 112 THR H H 201 7.934 7.934 8.125 -0.191 17780 3075 1 5 . 1 1 113 113 ASP N N 202 120.001 120.001 123.137 -3.136 17780 3076 1 5 . 1 1 113 113 ASP HA H 202 4.598 4.598 4.621 -0.023 17780 3077 1 5 . 1 1 113 113 ASP CA C 202 57.984 57.984 58.319 -0.335 17780 3078 1 5 . 1 1 113 113 ASP CB C 202 41.756 41.756 41.191 0.564 17780 3079 1 5 . 1 1 113 113 ASP H H 202 7.503 7.503 8.051 -0.548 17780 3080 1 5 . 1 1 114 114 VAL N N 203 119.529 119.529 119.960 -0.431 17780 3081 1 5 . 1 1 114 114 VAL HA H 203 3.279 3.279 3.494 -0.215 17780 3082 1 5 . 1 1 114 114 VAL CA C 203 67.817 67.817 66.553 1.264 17780 3083 1 5 . 1 1 114 114 VAL CB C 203 31.528 31.528 31.705 -0.177 17780 3084 1 5 . 1 1 114 114 VAL H H 203 8.209 8.209 7.775 0.434 17780 3085 1 5 . 1 1 115 115 LYS N N 204 119.051 119.051 120.152 -1.101 17780 3086 1 5 . 1 1 115 115 LYS HA H 204 4.082 4.082 4.134 -0.052 17780 3087 1 5 . 1 1 115 115 LYS CA C 204 59.268 59.268 59.513 -0.245 17780 3088 1 5 . 1 1 115 115 LYS CB C 204 31.979 31.979 32.605 -0.626 17780 3089 1 5 . 1 1 115 115 LYS H H 204 7.714 7.714 8.111 -0.397 17780 3090 1 5 . 1 1 116 116 MET N N 205 118.581 118.581 117.186 1.395 17780 3091 1 5 . 1 1 116 116 MET HA H 205 4.167 4.167 4.449 -0.282 17780 3092 1 5 . 1 1 116 116 MET CA C 205 59.984 59.984 58.643 1.341 17780 3093 1 5 . 1 1 116 116 MET CB C 205 32.933 32.933 33.222 -0.289 17780 3094 1 5 . 1 1 116 116 MET H H 205 8.182 8.182 8.252 -0.070 17780 3095 1 5 . 1 1 117 117 MET N N 206 118.259 118.259 117.714 0.545 17780 3096 1 5 . 1 1 117 117 MET HA H 206 3.561 3.561 4.062 -0.501 17780 3097 1 5 . 1 1 117 117 MET CA C 206 59.967 59.967 58.453 1.514 17780 3098 1 5 . 1 1 117 117 MET CB C 206 33.824 33.824 31.745 2.079 17780 3099 1 5 . 1 1 117 117 MET H H 206 8.691 8.691 7.940 0.751 17780 3100 1 5 . 1 1 118 118 GLU N N 207 118.878 118.878 120.235 -1.357 17780 3101 1 5 . 1 1 118 118 GLU HA H 207 3.658 3.658 3.899 -0.241 17780 3102 1 5 . 1 1 118 118 GLU CA C 207 60.702 60.702 59.443 1.259 17780 3103 1 5 . 1 1 118 118 GLU CB C 207 29.000 29.000 29.313 -0.313 17780 3104 1 5 . 1 1 118 118 GLU H H 207 8.544 8.544 8.085 0.459 17780 3105 1 5 . 1 1 119 119 ARG N N 208 116.694 116.694 117.804 -1.110 17780 3106 1 5 . 1 1 119 119 ARG HA H 208 4.228 4.228 4.055 0.173 17780 3107 1 5 . 1 1 119 119 ARG CA C 208 58.554 58.554 58.892 -0.338 17780 3108 1 5 . 1 1 119 119 ARG CB C 208 30.136 30.136 29.706 0.430 17780 3109 1 5 . 1 1 119 119 ARG H H 208 7.289 7.289 7.756 -0.467 17780 3110 1 5 . 1 1 120 120 VAL N N 209 119.035 119.035 116.213 2.822 17780 3111 1 5 . 1 1 120 120 VAL HA H 209 3.837 3.837 3.979 -0.142 17780 3112 1 5 . 1 1 120 120 VAL CA C 209 65.766 65.766 65.335 0.431 17780 3113 1 5 . 1 1 120 120 VAL CB C 209 32.213 32.213 31.453 0.760 17780 3114 1 5 . 1 1 120 120 VAL H H 209 8.279 8.279 7.300 0.979 17780 3115 1 5 . 1 1 121 121 VAL N N 210 121.668 121.668 115.642 6.026 17780 3116 1 5 . 1 1 121 121 VAL HA H 210 3.597 3.597 3.757 -0.160 17780 3117 1 5 . 1 1 121 121 VAL CA C 210 66.639 66.639 65.806 0.832 17780 3118 1 5 . 1 1 121 121 VAL CB C 210 31.097 31.097 31.144 -0.047 17780 3119 1 5 . 1 1 121 121 VAL H H 210 9.183 9.183 7.566 1.617 17780 3120 1 5 . 1 1 122 122 GLU N N 211 120.770 120.770 120.519 0.251 17780 3121 1 5 . 1 1 122 122 GLU HA H 211 3.603 3.603 3.839 -0.236 17780 3122 1 5 . 1 1 122 122 GLU CA C 211 61.132 61.132 60.298 0.834 17780 3123 1 5 . 1 1 122 122 GLU CB C 211 29.153 29.153 29.189 -0.036 17780 3124 1 5 . 1 1 122 122 GLU H H 211 8.041 8.041 7.782 0.259 17780 3125 1 5 . 1 1 123 123 GLN N N 212 114.580 114.580 117.285 -2.705 17780 3126 1 5 . 1 1 123 123 GLN HA H 212 3.662 3.662 4.134 -0.472 17780 3127 1 5 . 1 1 123 123 GLN CA C 212 58.509 58.509 57.924 0.585 17780 3128 1 5 . 1 1 123 123 GLN CB C 212 27.824 27.824 27.936 -0.112 17780 3129 1 5 . 1 1 123 123 GLN H H 212 7.096 7.096 7.964 -0.868 17780 3130 1 5 . 1 1 124 124 MET N N 213 119.748 119.748 121.238 -1.490 17780 3131 1 5 . 1 1 124 124 MET HA H 213 4.167 4.167 4.232 -0.065 17780 3132 1 5 . 1 1 124 124 MET CA C 213 59.928 59.928 59.135 0.793 17780 3133 1 5 . 1 1 124 124 MET CB C 213 34.529 34.529 32.730 1.799 17780 3134 1 5 . 1 1 124 124 MET H H 213 8.145 8.145 7.722 0.423 17780 3135 1 5 . 1 1 125 125 CYS N N 214 119.538 119.538 119.428 0.110 17780 3136 1 5 . 1 1 125 125 CYS HA H 214 4.427 4.427 4.195 0.232 17780 3137 1 5 . 1 1 125 125 CYS CA C 214 59.838 59.838 62.240 -2.402 17780 3138 1 5 . 1 1 125 125 CYS CB C 214 41.798 41.798 25.682 16.116 17780 3139 1 5 . 1 1 125 125 CYS H H 214 9.275 9.275 8.280 0.995 17780 3140 1 5 . 1 1 126 126 ILE N N 215 123.982 123.982 120.820 3.162 17780 3141 1 5 . 1 1 126 126 ILE HA H 215 3.579 3.579 3.795 -0.216 17780 3142 1 5 . 1 1 126 126 ILE CA C 215 66.649 66.649 65.441 1.208 17780 3143 1 5 . 1 1 126 126 ILE CB C 215 38.152 38.152 37.958 0.194 17780 3144 1 5 . 1 1 126 126 ILE H H 215 8.434 8.434 7.844 0.590 17780 3145 1 5 . 1 1 127 127 THR N N 216 118.728 118.728 116.728 2.000 17780 3146 1 5 . 1 1 127 127 THR HA H 216 3.835 3.835 3.914 -0.079 17780 3147 1 5 . 1 1 127 127 THR CA C 216 67.425 67.425 67.055 0.370 17780 3148 1 5 . 1 1 127 127 THR CB C 216 68.035 68.035 68.528 -0.493 17780 3149 1 5 . 1 1 127 127 THR H H 216 8.097 8.097 8.006 0.091 17780 3150 1 5 . 1 1 128 128 GLN N N 217 122.368 122.368 120.138 2.230 17780 3151 1 5 . 1 1 128 128 GLN HA H 217 3.662 3.662 4.111 -0.449 17780 3152 1 5 . 1 1 128 128 GLN CA C 217 58.462 58.462 58.370 0.092 17780 3153 1 5 . 1 1 128 128 GLN CB C 217 28.075 28.075 28.386 -0.311 17780 3154 1 5 . 1 1 128 128 GLN H H 217 8.637 8.637 7.680 0.957 17780 3155 1 5 . 1 1 129 129 TYR N N 218 121.512 121.512 122.678 -1.166 17780 3156 1 5 . 1 1 129 129 TYR HA H 218 2.929 2.929 3.942 -1.013 17780 3157 1 5 . 1 1 129 129 TYR CA C 218 61.904 61.904 61.763 0.141 17780 3158 1 5 . 1 1 129 129 TYR CB C 218 37.075 37.075 38.365 -1.290 17780 3159 1 5 . 1 1 129 129 TYR H H 218 8.705 8.705 9.036 -0.331 17780 3160 1 5 . 1 1 130 130 LYS N N 219 120.801 120.801 117.843 2.958 17780 3161 1 5 . 1 1 130 130 LYS HA H 219 3.667 3.667 3.708 -0.041 17780 3162 1 5 . 1 1 130 130 LYS CA C 219 60.001 60.001 57.370 2.631 17780 3163 1 5 . 1 1 130 130 LYS CB C 219 31.732 31.732 31.653 0.079 17780 3164 1 5 . 1 1 130 130 LYS H H 219 8.232 8.232 8.375 -0.143 17780 3165 1 5 . 1 1 131 131 ARG HA H 220 3.978 3.978 3.946 0.032 17780 3166 1 5 . 1 1 131 131 ARG CA C 220 59.013 59.013 59.326 -0.313 17780 3167 1 5 . 1 1 131 131 ARG CB C 220 30.028 30.028 30.250 -0.222 17780 3168 1 5 . 1 1 132 132 GLU N N 221 119.690 119.690 117.682 2.008 17780 3169 1 5 . 1 1 132 132 GLU HA H 221 4.035 4.035 4.110 -0.075 17780 3170 1 5 . 1 1 132 132 GLU CA C 221 58.006 58.006 58.901 -0.895 17780 3171 1 5 . 1 1 132 132 GLU CB C 221 29.270 29.270 29.795 -0.525 17780 3172 1 5 . 1 1 132 132 GLU H H 221 8.521 8.521 8.184 0.337 17780 3173 1 5 . 1 1 133 133 SER N N 222 115.963 115.963 115.323 0.640 17780 3174 1 5 . 1 1 133 133 SER HA H 222 3.884 3.884 3.825 0.059 17780 3175 1 5 . 1 1 133 133 SER CA C 222 61.500 61.500 61.139 0.361 17780 3176 1 5 . 1 1 133 133 SER CB C 222 62.207 62.207 62.170 0.036 17780 3177 1 5 . 1 1 133 133 SER H H 222 8.543 8.543 8.177 0.366 17780 3178 1 5 . 1 1 134 134 GLN N N 223 120.695 120.695 120.825 -0.130 17780 3179 1 5 . 1 1 134 134 GLN HA H 223 4.152 4.152 3.624 0.528 17780 3180 1 5 . 1 1 134 134 GLN CA C 223 58.646 58.646 58.084 0.562 17780 3181 1 5 . 1 1 134 134 GLN CB C 223 28.299 28.299 28.165 0.134 17780 3182 1 5 . 1 1 134 134 GLN H H 223 7.486 7.486 7.428 0.058 17780 3183 1 5 . 1 1 135 135 ALA N N 224 120.905 120.905 121.353 -0.448 17780 3184 1 5 . 1 1 135 135 ALA HA H 224 4.169 4.169 4.082 0.087 17780 3185 1 5 . 1 1 135 135 ALA CA C 224 54.404 54.404 54.638 -0.234 17780 3186 1 5 . 1 1 135 135 ALA CB C 224 18.233 18.233 18.174 0.059 17780 3187 1 5 . 1 1 135 135 ALA H H 224 7.497 7.497 7.363 0.134 17780 3188 1 5 . 1 1 136 136 TYR N N 225 119.969 119.969 120.186 -0.217 17780 3189 1 5 . 1 1 136 136 TYR HA H 225 4.080 4.080 4.192 -0.112 17780 3190 1 5 . 1 1 136 136 TYR CA C 225 61.060 61.060 61.196 -0.136 17780 3191 1 5 . 1 1 136 136 TYR CB C 225 39.008 39.008 38.729 0.279 17780 3192 1 5 . 1 1 136 136 TYR H H 225 8.215 8.215 7.461 0.754 17780 3193 1 5 . 1 1 137 137 TYR N N 226 117.988 117.988 117.686 0.302 17780 3194 1 5 . 1 1 137 137 TYR HA H 226 4.319 4.319 4.057 0.262 17780 3195 1 5 . 1 1 137 137 TYR CA C 226 59.543 59.543 58.696 0.847 17780 3196 1 5 . 1 1 137 137 TYR CB C 226 37.769 37.769 36.591 1.178 17780 3197 1 5 . 1 1 137 137 TYR H H 226 8.022 8.022 8.549 -0.527 17780 3198 1 5 . 1 1 138 138 GLN N N 227 118.911 118.911 118.714 0.197 17780 3199 1 5 . 1 1 138 138 GLN HA H 227 4.189 4.189 4.087 0.102 17780 3200 1 5 . 1 1 138 138 GLN CA C 227 57.002 57.002 58.175 -1.173 17780 3201 1 5 . 1 1 138 138 GLN CB C 227 28.740 28.740 27.731 1.009 17780 3202 1 5 . 1 1 138 138 GLN H H 227 7.838 7.838 7.615 0.223 17780 3203 1 5 . 1 1 139 139 ARG N N 228 119.910 119.910 118.928 0.982 17780 3204 1 5 . 1 1 139 139 ARG HA H 228 4.207 4.207 4.149 0.058 17780 3205 1 5 . 1 1 139 139 ARG CA C 228 57.338 57.338 57.200 0.138 17780 3206 1 5 . 1 1 139 139 ARG CB C 228 30.390 30.390 29.927 0.463 17780 3207 1 5 . 1 1 139 139 ARG H H 228 7.862 7.862 7.859 0.003 17780 3208 1 5 . 1 1 140 140 GLY N N 229 108.627 108.627 105.092 3.535 17780 3209 1 5 . 1 1 140 140 GLY CA C 229 45.477 45.477 44.967 0.510 17780 3210 1 5 . 1 1 140 140 GLY H H 229 8.092 8.092 7.619 0.473 17780 3211 1 5 . 1 1 141 141 SER N N 230 115.141 115.141 115.932 -0.791 17780 3212 1 5 . 1 1 141 141 SER HA H 230 4.330 4.330 4.645 -0.315 17780 3213 1 5 . 1 1 141 141 SER CA C 230 58.650 58.650 57.829 0.821 17780 3214 1 5 . 1 1 141 141 SER CB C 230 63.641 63.641 63.815 -0.174 17780 3215 1 5 . 1 1 141 141 SER H H 230 8.050 8.050 7.702 0.348 17780 3216 1 6 . 1 1 2 2 GLN N N 91 119.729 119.729 118.782 0.947 17780 3217 1 6 . 1 1 2 2 GLN HA H 91 4.407 4.407 5.210 -0.803 17780 3218 1 6 . 1 1 2 2 GLN CA C 91 55.969 55.969 55.976 -0.007 17780 3219 1 6 . 1 1 2 2 GLN CB C 91 29.576 29.576 31.737 -2.161 17780 3220 1 6 . 1 1 2 2 GLN H H 91 8.267 8.267 9.942 -1.675 17780 3221 1 6 . 1 1 3 3 GLY N N 92 110.081 110.081 107.807 2.274 17780 3222 1 6 . 1 1 3 3 GLY CA C 92 45.115 45.115 45.558 -0.443 17780 3223 1 6 . 1 1 3 3 GLY H H 92 8.515 8.515 9.272 -0.757 17780 3224 1 6 . 1 1 4 4 GLY N N 93 108.748 108.748 108.138 0.610 17780 3225 1 6 . 1 1 4 4 GLY CA C 93 45.228 45.228 44.250 0.978 17780 3226 1 6 . 1 1 4 4 GLY H H 93 8.331 8.331 8.607 -0.276 17780 3227 1 6 . 1 1 5 5 GLY N N 94 108.857 108.857 107.734 1.123 17780 3228 1 6 . 1 1 5 5 GLY CA C 94 45.172 45.172 44.568 0.604 17780 3229 1 6 . 1 1 5 5 GLY H H 94 8.362 8.362 8.491 -0.129 17780 3230 1 6 . 1 1 6 6 THR N N 95 113.538 113.538 112.249 1.289 17780 3231 1 6 . 1 1 6 6 THR HA H 95 4.282 4.282 4.433 -0.151 17780 3232 1 6 . 1 1 6 6 THR CA C 95 61.906 61.906 61.283 0.623 17780 3233 1 6 . 1 1 6 6 THR CB C 95 69.711 69.711 69.797 -0.086 17780 3234 1 6 . 1 1 6 6 THR H H 95 8.129 8.129 8.180 -0.051 17780 3235 1 6 . 1 1 7 7 HIS N N 96 121.027 121.027 120.773 0.254 17780 3236 1 6 . 1 1 7 7 HIS HA H 96 4.713 4.713 4.506 0.207 17780 3237 1 6 . 1 1 7 7 HIS CA C 96 55.169 55.169 56.842 -1.673 17780 3238 1 6 . 1 1 7 7 HIS CB C 96 29.575 29.575 30.095 -0.519 17780 3239 1 6 . 1 1 7 7 HIS H H 96 8.497 8.497 8.682 -0.185 17780 3240 1 6 . 1 1 8 8 SER N N 97 117.031 117.031 116.360 0.671 17780 3241 1 6 . 1 1 8 8 SER HA H 97 4.405 4.405 4.513 -0.108 17780 3242 1 6 . 1 1 8 8 SER CA C 97 58.379 58.379 57.976 0.403 17780 3243 1 6 . 1 1 8 8 SER CB C 97 63.535 63.535 64.290 -0.755 17780 3244 1 6 . 1 1 8 8 SER H H 97 8.275 8.275 8.097 0.178 17780 3245 1 6 . 1 1 9 9 GLN N N 98 122.084 122.084 121.700 0.384 17780 3246 1 6 . 1 1 9 9 GLN HA H 98 4.279 4.279 4.467 -0.188 17780 3247 1 6 . 1 1 9 9 GLN CA C 98 55.970 55.970 55.602 0.368 17780 3248 1 6 . 1 1 9 9 GLN CB C 98 29.157 29.157 29.659 -0.502 17780 3249 1 6 . 1 1 9 9 GLN H H 98 8.462 8.462 8.601 -0.139 17780 3250 1 6 . 1 1 10 10 TRP N N 99 121.630 121.630 123.606 -1.976 17780 3251 1 6 . 1 1 10 10 TRP HA H 99 4.676 4.676 4.818 -0.142 17780 3252 1 6 . 1 1 10 10 TRP CA C 99 57.046 57.046 56.726 0.320 17780 3253 1 6 . 1 1 10 10 TRP CB C 99 29.440 29.440 30.844 -1.404 17780 3254 1 6 . 1 1 10 10 TRP H H 99 8.086 8.086 8.392 -0.306 17780 3255 1 6 . 1 1 11 11 ASN N N 100 120.591 120.591 121.534 -0.943 17780 3256 1 6 . 1 1 11 11 ASN HA H 100 4.602 4.602 4.313 0.289 17780 3257 1 6 . 1 1 11 11 ASN CA C 100 52.675 52.675 51.627 1.048 17780 3258 1 6 . 1 1 11 11 ASN CB C 100 38.781 38.781 40.018 -1.237 17780 3259 1 6 . 1 1 11 11 ASN H H 100 8.095 8.095 7.839 0.256 17780 3260 1 6 . 1 1 12 12 LYS N N 101 122.656 122.656 120.809 1.847 17780 3261 1 6 . 1 1 12 12 LYS HA H 101 4.435 4.435 4.107 0.328 17780 3262 1 6 . 1 1 12 12 LYS CA C 101 54.139 54.139 54.358 -0.218 17780 3263 1 6 . 1 1 12 12 LYS CB C 101 32.474 32.474 32.264 0.210 17780 3264 1 6 . 1 1 12 12 LYS H H 101 7.985 7.985 8.090 -0.105 17780 3265 1 6 . 1 1 13 13 PRO HA H 102 4.425 4.425 4.260 0.165 17780 3266 1 6 . 1 1 13 13 PRO CA C 102 63.065 63.065 63.569 -0.504 17780 3267 1 6 . 1 1 13 13 PRO CB C 102 32.056 32.056 31.754 0.302 17780 3268 1 6 . 1 1 14 14 SER N N 103 116.881 116.881 115.156 1.725 17780 3269 1 6 . 1 1 14 14 SER HA H 103 4.430 4.430 4.252 0.178 17780 3270 1 6 . 1 1 14 14 SER CA C 103 57.973 57.973 58.842 -0.869 17780 3271 1 6 . 1 1 14 14 SER CB C 103 63.669 63.669 63.265 0.404 17780 3272 1 6 . 1 1 14 14 SER H H 103 8.420 8.420 7.990 0.430 17780 3273 1 6 . 1 1 15 15 LYS N N 104 124.163 124.163 120.916 3.247 17780 3274 1 6 . 1 1 15 15 LYS HA H 104 4.620 4.620 4.584 0.036 17780 3275 1 6 . 1 1 15 15 LYS CA C 104 54.160 54.160 54.748 -0.588 17780 3276 1 6 . 1 1 15 15 LYS CB C 104 32.606 32.606 32.492 0.114 17780 3277 1 6 . 1 1 15 15 LYS H H 104 8.321 8.321 8.382 -0.061 17780 3278 1 6 . 1 1 16 16 PRO HA H 105 4.412 4.412 4.566 -0.154 17780 3279 1 6 . 1 1 16 16 PRO CA C 105 63.012 63.012 62.614 0.398 17780 3280 1 6 . 1 1 16 16 PRO CB C 105 32.152 32.152 32.209 -0.057 17780 3281 1 6 . 1 1 17 17 LYS N N 106 122.072 122.072 120.016 2.056 17780 3282 1 6 . 1 1 17 17 LYS HA H 106 4.338 4.338 4.328 0.010 17780 3283 1 6 . 1 1 17 17 LYS CA C 106 56.299 56.299 56.478 -0.179 17780 3284 1 6 . 1 1 17 17 LYS CB C 106 32.928 32.928 32.674 0.254 17780 3285 1 6 . 1 1 17 17 LYS H H 106 8.516 8.516 8.321 0.195 17780 3286 1 6 . 1 1 18 18 THR N N 107 115.252 115.252 112.797 2.455 17780 3287 1 6 . 1 1 18 18 THR HA H 107 4.323 4.323 4.617 -0.294 17780 3288 1 6 . 1 1 18 18 THR CA C 107 61.523 61.523 60.718 0.805 17780 3289 1 6 . 1 1 18 18 THR CB C 107 69.778 69.778 70.897 -1.119 17780 3290 1 6 . 1 1 18 18 THR H H 107 8.133 8.133 8.435 -0.302 17780 3291 1 6 . 1 1 19 19 ASN N N 108 121.344 121.344 122.101 -0.757 17780 3292 1 6 . 1 1 19 19 ASN HA H 108 4.712 4.712 4.985 -0.273 17780 3293 1 6 . 1 1 19 19 ASN CA C 108 53.019 53.019 53.416 -0.397 17780 3294 1 6 . 1 1 19 19 ASN CB C 108 38.728 38.728 38.932 -0.204 17780 3295 1 6 . 1 1 19 19 ASN H H 108 8.537 8.537 8.893 -0.356 17780 3296 1 6 . 1 1 20 20 MET N N 109 121.309 121.309 119.972 1.337 17780 3297 1 6 . 1 1 20 20 MET HA H 109 4.437 4.437 4.647 -0.210 17780 3298 1 6 . 1 1 20 20 MET CA C 109 55.446 55.446 54.848 0.598 17780 3299 1 6 . 1 1 20 20 MET CB C 109 32.809 32.809 35.580 -2.771 17780 3300 1 6 . 1 1 20 20 MET H H 109 8.346 8.346 7.844 0.502 17780 3301 1 6 . 1 1 21 21 LYS N N 110 122.292 122.292 122.053 0.239 17780 3302 1 6 . 1 1 21 21 LYS HA H 110 4.237 4.237 4.591 -0.354 17780 3303 1 6 . 1 1 21 21 LYS CA C 110 56.394 56.394 55.759 0.635 17780 3304 1 6 . 1 1 21 21 LYS CB C 110 32.923 32.923 34.261 -1.338 17780 3305 1 6 . 1 1 21 21 LYS H H 110 8.300 8.300 8.510 -0.210 17780 3306 1 6 . 1 1 22 22 HIS N N 111 120.193 120.193 123.243 -3.050 17780 3307 1 6 . 1 1 22 22 HIS HA H 111 4.642 4.642 5.150 -0.508 17780 3308 1 6 . 1 1 22 22 HIS CA C 111 55.391 55.391 55.038 0.353 17780 3309 1 6 . 1 1 22 22 HIS CB C 111 29.501 29.501 32.590 -3.089 17780 3310 1 6 . 1 1 22 22 HIS H H 111 8.406 8.406 8.487 -0.081 17780 3311 1 6 . 1 1 23 23 MET N N 112 122.529 122.529 119.429 3.100 17780 3312 1 6 . 1 1 23 23 MET HA H 112 4.464 4.464 5.327 -0.863 17780 3313 1 6 . 1 1 23 23 MET CA C 112 55.125 55.125 54.495 0.630 17780 3314 1 6 . 1 1 23 23 MET CB C 112 32.930 32.930 36.248 -3.318 17780 3315 1 6 . 1 1 23 23 MET H H 112 8.326 8.326 8.988 -0.662 17780 3316 1 6 . 1 1 24 24 ALA N N 113 125.642 125.642 122.924 2.718 17780 3317 1 6 . 1 1 24 24 ALA HA H 113 4.315 4.315 5.367 -1.052 17780 3318 1 6 . 1 1 24 24 ALA CA C 113 52.521 52.521 51.695 0.826 17780 3319 1 6 . 1 1 24 24 ALA CB C 113 19.181 19.181 21.223 -2.042 17780 3320 1 6 . 1 1 24 24 ALA H H 113 8.370 8.370 9.542 -1.172 17780 3321 1 6 . 1 1 25 25 GLY N N 114 108.473 108.473 107.689 0.784 17780 3322 1 6 . 1 1 25 25 GLY CA C 114 45.175 45.175 45.794 -0.619 17780 3323 1 6 . 1 1 25 25 GLY H H 114 8.373 8.373 10.017 -1.644 17780 3324 1 6 . 1 1 26 26 ALA N N 115 123.872 123.872 123.763 0.109 17780 3325 1 6 . 1 1 26 26 ALA HA H 115 4.316 4.316 5.398 -1.082 17780 3326 1 6 . 1 1 26 26 ALA CA C 115 52.496 52.496 51.913 0.583 17780 3327 1 6 . 1 1 26 26 ALA CB C 115 19.181 19.181 21.189 -2.008 17780 3328 1 6 . 1 1 26 26 ALA H H 115 8.134 8.134 10.256 -2.122 17780 3329 1 6 . 1 1 27 27 ALA N N 116 123.172 123.172 123.675 -0.503 17780 3330 1 6 . 1 1 27 27 ALA HA H 116 4.287 4.287 5.103 -0.816 17780 3331 1 6 . 1 1 27 27 ALA CA C 116 52.464 52.464 52.565 -0.101 17780 3332 1 6 . 1 1 27 27 ALA CB C 116 19.180 19.180 19.551 -0.371 17780 3333 1 6 . 1 1 27 27 ALA H H 116 8.268 8.268 10.279 -2.011 17780 3334 1 6 . 1 1 28 28 ALA N N 117 123.253 123.253 123.805 -0.552 17780 3335 1 6 . 1 1 28 28 ALA HA H 117 4.277 4.277 5.361 -1.084 17780 3336 1 6 . 1 1 28 28 ALA CA C 117 52.383 52.383 52.120 0.263 17780 3337 1 6 . 1 1 28 28 ALA CB C 117 19.156 19.156 20.825 -1.669 17780 3338 1 6 . 1 1 28 28 ALA H H 117 8.169 8.169 10.233 -2.064 17780 3339 1 6 . 1 1 29 29 ALA N N 118 123.225 123.225 123.153 0.072 17780 3340 1 6 . 1 1 29 29 ALA HA H 118 4.282 4.282 4.549 -0.267 17780 3341 1 6 . 1 1 29 29 ALA CA C 118 52.469 52.469 51.826 0.643 17780 3342 1 6 . 1 1 29 29 ALA CB C 118 19.129 19.129 19.816 -0.687 17780 3343 1 6 . 1 1 29 29 ALA H H 118 8.204 8.204 8.373 -0.169 17780 3344 1 6 . 1 1 30 30 GLY N N 119 107.906 107.906 107.239 0.667 17780 3345 1 6 . 1 1 30 30 GLY CA C 119 45.089 45.089 44.796 0.293 17780 3346 1 6 . 1 1 30 30 GLY H H 119 8.271 8.271 8.445 -0.174 17780 3347 1 6 . 1 1 31 31 ALA N N 120 123.540 123.540 123.931 -0.391 17780 3348 1 6 . 1 1 31 31 ALA HA H 120 4.339 4.339 4.557 -0.218 17780 3349 1 6 . 1 1 31 31 ALA CA C 120 52.282 52.282 52.697 -0.415 17780 3350 1 6 . 1 1 31 31 ALA CB C 120 19.432 19.432 19.316 0.116 17780 3351 1 6 . 1 1 31 31 ALA H H 120 8.039 8.039 7.826 0.213 17780 3352 1 6 . 1 1 32 32 VAL N N 121 119.579 119.579 114.502 5.077 17780 3353 1 6 . 1 1 32 32 VAL HA H 121 4.117 4.117 3.721 0.396 17780 3354 1 6 . 1 1 32 32 VAL CA C 121 62.142 62.142 63.351 -1.209 17780 3355 1 6 . 1 1 32 32 VAL CB C 121 32.673 32.673 29.788 2.885 17780 3356 1 6 . 1 1 32 32 VAL H H 121 8.109 8.109 8.667 -0.558 17780 3357 1 6 . 1 1 33 33 VAL N N 122 124.655 124.655 121.172 3.483 17780 3358 1 6 . 1 1 33 33 VAL HA H 122 4.081 4.081 3.940 0.141 17780 3359 1 6 . 1 1 33 33 VAL CA C 122 62.430 62.430 63.816 -1.386 17780 3360 1 6 . 1 1 33 33 VAL CB C 122 32.675 32.675 31.140 1.535 17780 3361 1 6 . 1 1 33 33 VAL H H 122 8.262 8.262 7.437 0.825 17780 3362 1 6 . 1 1 34 34 GLY N N 123 113.165 113.165 108.577 4.588 17780 3363 1 6 . 1 1 34 34 GLY CA C 123 45.264 45.264 44.975 0.289 17780 3364 1 6 . 1 1 34 34 GLY H H 123 8.528 8.528 8.378 0.150 17780 3365 1 6 . 1 1 35 35 GLY N N 124 108.440 108.440 108.650 -0.210 17780 3366 1 6 . 1 1 35 35 GLY CA C 124 45.264 45.264 45.307 -0.043 17780 3367 1 6 . 1 1 35 35 GLY H H 124 8.245 8.245 7.876 0.369 17780 3368 1 6 . 1 1 36 36 LEU N N 125 121.679 121.679 121.301 0.378 17780 3369 1 6 . 1 1 36 36 LEU HA H 125 4.340 4.340 4.290 0.050 17780 3370 1 6 . 1 1 36 36 LEU CA C 125 54.808 54.808 55.979 -1.171 17780 3371 1 6 . 1 1 36 36 LEU CB C 125 42.417 42.417 41.812 0.605 17780 3372 1 6 . 1 1 36 36 LEU H H 125 8.233 8.233 7.650 0.583 17780 3373 1 6 . 1 1 37 37 GLY N N 126 109.818 109.818 107.626 2.192 17780 3374 1 6 . 1 1 37 37 GLY CA C 126 46.266 46.266 45.726 0.540 17780 3375 1 6 . 1 1 37 37 GLY H H 126 8.511 8.511 8.152 0.359 17780 3376 1 6 . 1 1 38 38 GLY N N 127 109.485 109.485 109.998 -0.513 17780 3377 1 6 . 1 1 38 38 GLY CA C 127 45.029 45.029 45.501 -0.472 17780 3378 1 6 . 1 1 38 38 GLY H H 127 8.374 8.374 7.934 0.439 17780 3379 1 6 . 1 1 39 39 TYR N N 128 117.683 117.683 120.946 -3.263 17780 3380 1 6 . 1 1 39 39 TYR HA H 128 4.501 4.501 4.646 -0.145 17780 3381 1 6 . 1 1 39 39 TYR CA C 128 58.050 58.050 56.665 1.385 17780 3382 1 6 . 1 1 39 39 TYR CB C 128 40.362 40.362 41.151 -0.789 17780 3383 1 6 . 1 1 39 39 TYR H H 128 7.746 7.746 8.114 -0.368 17780 3384 1 6 . 1 1 40 40 MET N N 129 120.902 120.902 117.251 3.651 17780 3385 1 6 . 1 1 40 40 MET HA H 129 4.534 4.534 4.779 -0.245 17780 3386 1 6 . 1 1 40 40 MET CA C 129 53.516 53.516 53.642 -0.126 17780 3387 1 6 . 1 1 40 40 MET CB C 129 34.851 34.851 36.685 -1.834 17780 3388 1 6 . 1 1 40 40 MET H H 129 9.005 9.005 8.770 0.235 17780 3389 1 6 . 1 1 41 41 LEU N N 130 121.514 121.514 114.789 6.725 17780 3390 1 6 . 1 1 41 41 LEU HA H 130 4.464 4.464 5.004 -0.540 17780 3391 1 6 . 1 1 41 41 LEU CA C 130 53.359 53.359 52.678 0.681 17780 3392 1 6 . 1 1 41 41 LEU CB C 130 43.482 43.482 43.994 -0.512 17780 3393 1 6 . 1 1 41 41 LEU H H 130 8.034 8.034 8.215 -0.181 17780 3394 1 6 . 1 1 42 42 GLY N N 131 114.895 114.895 107.806 7.089 17780 3395 1 6 . 1 1 42 42 GLY CA C 131 44.698 44.698 44.863 -0.165 17780 3396 1 6 . 1 1 42 42 GLY H H 131 9.375 9.375 8.557 0.818 17780 3397 1 6 . 1 1 43 43 SER N N 132 113.692 113.692 117.834 -4.142 17780 3398 1 6 . 1 1 43 43 SER HA H 132 4.429 4.429 4.331 0.098 17780 3399 1 6 . 1 1 43 43 SER CA C 132 58.191 58.191 59.369 -1.178 17780 3400 1 6 . 1 1 43 43 SER CB C 132 63.938 63.938 63.501 0.437 17780 3401 1 6 . 1 1 43 43 SER H H 132 8.345 8.345 8.337 0.008 17780 3402 1 6 . 1 1 44 44 ALA N N 133 125.505 125.505 122.454 3.051 17780 3403 1 6 . 1 1 44 44 ALA HA H 133 4.437 4.437 4.630 -0.193 17780 3404 1 6 . 1 1 44 44 ALA CA C 133 52.936 52.936 52.019 0.917 17780 3405 1 6 . 1 1 44 44 ALA CB C 133 18.412 18.412 20.808 -2.396 17780 3406 1 6 . 1 1 44 44 ALA H H 133 8.735 8.735 7.863 0.872 17780 3407 1 6 . 1 1 45 45 MET N N 134 120.707 120.707 121.999 -1.292 17780 3408 1 6 . 1 1 45 45 MET HA H 134 4.756 4.756 4.946 -0.190 17780 3409 1 6 . 1 1 45 45 MET CA C 134 54.242 54.242 54.509 -0.267 17780 3410 1 6 . 1 1 45 45 MET CB C 134 36.727 36.727 35.932 0.795 17780 3411 1 6 . 1 1 45 45 MET H H 134 8.686 8.686 8.567 0.119 17780 3412 1 6 . 1 1 46 46 SER N N 135 116.235 116.235 115.978 0.257 17780 3413 1 6 . 1 1 46 46 SER HA H 135 4.375 4.375 4.607 -0.232 17780 3414 1 6 . 1 1 46 46 SER CA C 135 58.410 58.410 57.742 0.668 17780 3415 1 6 . 1 1 46 46 SER CB C 135 63.016 63.016 64.221 -1.205 17780 3416 1 6 . 1 1 46 46 SER H H 135 8.397 8.397 8.262 0.135 17780 3417 1 6 . 1 1 47 47 ARG N N 136 126.632 126.632 122.499 4.133 17780 3418 1 6 . 1 1 47 47 ARG HA H 136 4.406 4.406 4.737 -0.331 17780 3419 1 6 . 1 1 47 47 ARG CA C 136 54.783 54.783 53.355 1.428 17780 3420 1 6 . 1 1 47 47 ARG CB C 136 29.040 29.040 28.935 0.105 17780 3421 1 6 . 1 1 47 47 ARG H H 136 8.668 8.668 8.666 0.002 17780 3422 1 6 . 1 1 48 48 PRO HA H 137 4.422 4.422 4.625 -0.203 17780 3423 1 6 . 1 1 48 48 PRO CA C 137 62.327 62.327 62.366 -0.039 17780 3424 1 6 . 1 1 48 48 PRO CB C 137 32.269 32.269 32.602 -0.333 17780 3425 1 6 . 1 1 49 49 ILE N N 138 122.521 122.521 120.317 2.204 17780 3426 1 6 . 1 1 49 49 ILE HA H 138 4.148 4.148 4.091 0.057 17780 3427 1 6 . 1 1 49 49 ILE CA C 138 60.916 60.916 60.576 0.340 17780 3428 1 6 . 1 1 49 49 ILE CB C 138 36.234 36.234 39.048 -2.814 17780 3429 1 6 . 1 1 49 49 ILE H H 138 8.603 8.603 8.086 0.517 17780 3430 1 6 . 1 1 50 50 ILE N N 139 126.683 126.683 125.859 0.824 17780 3431 1 6 . 1 1 50 50 ILE HA H 139 3.927 3.927 3.759 0.168 17780 3432 1 6 . 1 1 50 50 ILE CA C 139 58.700 58.700 58.630 0.070 17780 3433 1 6 . 1 1 50 50 ILE CB C 139 39.345 39.345 40.712 -1.367 17780 3434 1 6 . 1 1 50 50 ILE H H 139 6.514 6.514 7.938 -1.424 17780 3435 1 6 . 1 1 51 51 HIS N N 140 121.997 121.997 122.358 -0.361 17780 3436 1 6 . 1 1 51 51 HIS HA H 140 4.918 4.918 4.681 0.237 17780 3437 1 6 . 1 1 51 51 HIS CA C 140 54.065 54.065 54.601 -0.536 17780 3438 1 6 . 1 1 51 51 HIS CB C 140 29.466 29.466 27.857 1.609 17780 3439 1 6 . 1 1 51 51 HIS H H 140 8.203 8.203 7.432 0.771 17780 3440 1 6 . 1 1 52 52 PHE N N 141 124.334 124.334 124.814 -0.480 17780 3441 1 6 . 1 1 52 52 PHE HA H 141 4.348 4.348 4.507 -0.159 17780 3442 1 6 . 1 1 52 52 PHE CA C 141 59.251 59.251 58.629 0.622 17780 3443 1 6 . 1 1 52 52 PHE CB C 141 41.448 41.448 40.183 1.265 17780 3444 1 6 . 1 1 52 52 PHE H H 141 10.160 10.160 9.227 0.933 17780 3445 1 6 . 1 1 53 53 GLY N N 142 108.368 108.368 105.477 2.891 17780 3446 1 6 . 1 1 53 53 GLY CA C 142 45.516 45.516 45.887 -0.371 17780 3447 1 6 . 1 1 53 53 GLY H H 142 8.984 8.984 7.702 1.282 17780 3448 1 6 . 1 1 54 54 SER N N 143 111.819 111.819 114.477 -2.658 17780 3449 1 6 . 1 1 54 54 SER HA H 143 4.810 4.810 4.621 0.189 17780 3450 1 6 . 1 1 54 54 SER CA C 143 56.498 56.498 56.941 -0.443 17780 3451 1 6 . 1 1 54 54 SER CB C 143 65.964 65.964 64.117 1.847 17780 3452 1 6 . 1 1 54 54 SER H H 143 7.334 7.334 7.554 -0.220 17780 3453 1 6 . 1 1 55 55 ASP N N 144 124.249 124.249 122.831 1.418 17780 3454 1 6 . 1 1 55 55 ASP HA H 144 4.500 4.500 4.503 -0.003 17780 3455 1 6 . 1 1 55 55 ASP CA C 144 57.493 57.493 57.360 0.133 17780 3456 1 6 . 1 1 55 55 ASP CB C 144 40.664 40.664 40.749 -0.085 17780 3457 1 6 . 1 1 55 55 ASP H H 144 9.014 9.014 8.737 0.277 17780 3458 1 6 . 1 1 56 56 TYR N N 145 118.991 118.991 116.562 2.429 17780 3459 1 6 . 1 1 56 56 TYR HA H 145 4.196 4.196 4.536 -0.340 17780 3460 1 6 . 1 1 56 56 TYR CA C 145 61.351 61.351 59.778 1.573 17780 3461 1 6 . 1 1 56 56 TYR CB C 145 38.075 38.075 37.423 0.652 17780 3462 1 6 . 1 1 56 56 TYR H H 145 8.551 8.551 7.644 0.907 17780 3463 1 6 . 1 1 57 57 GLU N N 146 119.217 119.217 120.572 -1.355 17780 3464 1 6 . 1 1 57 57 GLU HA H 146 3.563 3.563 4.524 -0.961 17780 3465 1 6 . 1 1 57 57 GLU CA C 146 59.921 59.921 59.040 0.881 17780 3466 1 6 . 1 1 57 57 GLU CB C 146 30.297 30.297 29.627 0.670 17780 3467 1 6 . 1 1 57 57 GLU H H 146 7.741 7.741 7.655 0.086 17780 3468 1 6 . 1 1 58 58 ASP N N 147 119.565 119.565 119.750 -0.185 17780 3469 1 6 . 1 1 58 58 ASP HA H 147 4.498 4.498 4.803 -0.305 17780 3470 1 6 . 1 1 58 58 ASP CA C 147 58.185 58.185 57.201 0.984 17780 3471 1 6 . 1 1 58 58 ASP CB C 147 40.598 40.598 40.725 -0.127 17780 3472 1 6 . 1 1 58 58 ASP H H 147 8.139 8.139 8.498 -0.359 17780 3473 1 6 . 1 1 59 59 ARG N N 148 120.296 120.296 118.965 1.331 17780 3474 1 6 . 1 1 59 59 ARG HA H 148 4.004 4.004 4.281 -0.277 17780 3475 1 6 . 1 1 59 59 ARG CA C 148 59.393 59.393 58.701 0.692 17780 3476 1 6 . 1 1 59 59 ARG CB C 148 29.910 29.910 29.973 -0.063 17780 3477 1 6 . 1 1 59 59 ARG H H 148 8.181 8.181 7.833 0.348 17780 3478 1 6 . 1 1 60 60 TYR N N 149 121.152 121.152 122.868 -1.716 17780 3479 1 6 . 1 1 60 60 TYR HA H 149 3.819 3.819 4.300 -0.481 17780 3480 1 6 . 1 1 60 60 TYR CA C 149 62.195 62.195 59.813 2.382 17780 3481 1 6 . 1 1 60 60 TYR CB C 149 37.808 37.808 38.163 -0.355 17780 3482 1 6 . 1 1 60 60 TYR H H 149 8.333 8.333 7.693 0.640 17780 3483 1 6 . 1 1 61 61 TYR N N 150 120.365 120.365 120.979 -0.614 17780 3484 1 6 . 1 1 61 61 TYR HA H 150 4.122 4.122 3.457 0.665 17780 3485 1 6 . 1 1 61 61 TYR CA C 150 62.969 62.969 60.839 2.130 17780 3486 1 6 . 1 1 61 61 TYR CB C 150 38.207 38.207 38.010 0.197 17780 3487 1 6 . 1 1 61 61 TYR H H 150 8.942 8.942 8.468 0.474 17780 3488 1 6 . 1 1 62 62 ARG N N 151 117.982 117.982 116.647 1.335 17780 3489 1 6 . 1 1 62 62 ARG HA H 151 3.938 3.938 3.484 0.454 17780 3490 1 6 . 1 1 62 62 ARG CA C 151 59.940 59.940 58.325 1.615 17780 3491 1 6 . 1 1 62 62 ARG CB C 151 29.731 29.731 29.760 -0.029 17780 3492 1 6 . 1 1 62 62 ARG H H 151 7.938 7.938 7.489 0.449 17780 3493 1 6 . 1 1 63 63 GLU N N 152 116.389 116.389 119.092 -2.703 17780 3494 1 6 . 1 1 63 63 GLU HA H 152 4.059 4.059 3.991 0.068 17780 3495 1 6 . 1 1 63 63 GLU CA C 152 57.990 57.990 59.089 -1.099 17780 3496 1 6 . 1 1 63 63 GLU CB C 152 29.915 29.915 29.411 0.504 17780 3497 1 6 . 1 1 63 63 GLU H H 152 8.068 8.068 7.923 0.145 17780 3498 1 6 . 1 1 64 64 ASN N N 153 114.690 114.690 116.319 -1.629 17780 3499 1 6 . 1 1 64 64 ASN HA H 153 4.406 4.406 4.376 0.030 17780 3500 1 6 . 1 1 64 64 ASN CA C 153 54.814 54.814 53.947 0.867 17780 3501 1 6 . 1 1 64 64 ASN CB C 153 41.178 41.178 37.774 3.404 17780 3502 1 6 . 1 1 64 64 ASN H H 153 7.525 7.525 7.492 0.033 17780 3503 1 6 . 1 1 65 65 MET N N 154 119.058 119.058 121.656 -2.598 17780 3504 1 6 . 1 1 65 65 MET HA H 154 3.417 3.417 3.420 -0.003 17780 3505 1 6 . 1 1 65 65 MET CA C 154 59.193 59.193 57.962 1.231 17780 3506 1 6 . 1 1 65 65 MET CB C 154 30.258 30.258 31.471 -1.213 17780 3507 1 6 . 1 1 65 65 MET H H 154 7.993 7.993 7.324 0.669 17780 3508 1 6 . 1 1 66 66 HIS N N 155 116.083 116.083 117.729 -1.646 17780 3509 1 6 . 1 1 66 66 HIS HA H 155 4.208 4.208 4.300 -0.092 17780 3510 1 6 . 1 1 66 66 HIS CA C 155 57.382 57.382 58.942 -1.560 17780 3511 1 6 . 1 1 66 66 HIS CB C 155 28.955 28.955 29.827 -0.872 17780 3512 1 6 . 1 1 66 66 HIS H H 155 7.988 7.988 7.692 0.296 17780 3513 1 6 . 1 1 67 67 ARG N N 156 118.993 118.993 117.330 1.663 17780 3514 1 6 . 1 1 67 67 ARG HA H 156 4.133 4.133 4.393 -0.260 17780 3515 1 6 . 1 1 67 67 ARG CA C 156 56.135 56.135 56.716 -0.581 17780 3516 1 6 . 1 1 67 67 ARG CB C 156 30.521 30.521 30.531 -0.010 17780 3517 1 6 . 1 1 67 67 ARG H H 156 7.488 7.488 7.483 0.005 17780 3518 1 6 . 1 1 68 68 TYR N N 157 121.321 121.321 119.806 1.515 17780 3519 1 6 . 1 1 68 68 TYR HA H 157 4.991 4.991 4.910 0.081 17780 3520 1 6 . 1 1 68 68 TYR CA C 157 52.644 52.644 53.935 -1.291 17780 3521 1 6 . 1 1 68 68 TYR CB C 157 34.873 34.873 37.891 -3.018 17780 3522 1 6 . 1 1 68 68 TYR H H 157 7.433 7.433 7.550 -0.117 17780 3523 1 6 . 1 1 69 69 PRO HA H 158 4.338 4.338 4.503 -0.165 17780 3524 1 6 . 1 1 69 69 PRO CA C 158 63.651 63.651 62.639 1.012 17780 3525 1 6 . 1 1 69 69 PRO CB C 158 32.005 32.005 33.314 -1.309 17780 3526 1 6 . 1 1 70 70 ASN N N 159 116.696 116.696 116.587 0.109 17780 3527 1 6 . 1 1 70 70 ASN HA H 159 4.690 4.690 4.665 0.025 17780 3528 1 6 . 1 1 70 70 ASN CA C 159 51.997 51.997 53.246 -1.250 17780 3529 1 6 . 1 1 70 70 ASN CB C 159 38.375 38.375 39.548 -1.173 17780 3530 1 6 . 1 1 70 70 ASN H H 159 8.673 8.673 8.615 0.058 17780 3531 1 6 . 1 1 71 71 GLN N N 160 114.313 114.313 117.552 -3.239 17780 3532 1 6 . 1 1 71 71 GLN HA H 160 4.523 4.523 4.631 -0.108 17780 3533 1 6 . 1 1 71 71 GLN CA C 160 54.286 54.286 54.442 -0.156 17780 3534 1 6 . 1 1 71 71 GLN CB C 160 32.975 32.975 32.556 0.419 17780 3535 1 6 . 1 1 71 71 GLN H H 160 7.319 7.319 7.646 -0.327 17780 3536 1 6 . 1 1 72 72 VAL N N 161 112.569 112.569 115.750 -3.181 17780 3537 1 6 . 1 1 72 72 VAL HA H 161 4.927 4.927 4.522 0.405 17780 3538 1 6 . 1 1 72 72 VAL CA C 161 58.651 58.651 59.832 -1.181 17780 3539 1 6 . 1 1 72 72 VAL CB C 161 33.812 33.812 34.138 -0.326 17780 3540 1 6 . 1 1 72 72 VAL H H 161 8.477 8.477 8.209 0.268 17780 3541 1 6 . 1 1 73 73 TYR N N 162 121.525 121.525 124.043 -2.518 17780 3542 1 6 . 1 1 73 73 TYR HA H 162 5.507 5.507 5.189 0.318 17780 3543 1 6 . 1 1 73 73 TYR CA C 162 57.133 57.133 55.705 1.428 17780 3544 1 6 . 1 1 73 73 TYR CB C 162 41.970 41.970 41.808 0.162 17780 3545 1 6 . 1 1 73 73 TYR H H 162 8.490 8.490 8.616 -0.126 17780 3546 1 6 . 1 1 74 74 TYR N N 163 111.081 111.081 118.763 -7.682 17780 3547 1 6 . 1 1 74 74 TYR HA H 163 4.758 4.758 5.161 -0.403 17780 3548 1 6 . 1 1 74 74 TYR CA C 163 55.367 55.367 56.666 -1.299 17780 3549 1 6 . 1 1 74 74 TYR CB C 163 40.401 40.401 40.520 -0.119 17780 3550 1 6 . 1 1 74 74 TYR H H 163 8.593 8.593 8.545 0.048 17780 3551 1 6 . 1 1 76 76 PRO HA H 165 4.490 4.490 4.489 0.001 17780 3552 1 6 . 1 1 76 76 PRO CA C 165 62.967 62.967 62.828 0.139 17780 3553 1 6 . 1 1 76 76 PRO CB C 165 32.372 32.372 32.477 -0.105 17780 3554 1 6 . 1 1 77 77 MET N N 166 121.408 121.408 114.608 6.800 17780 3555 1 6 . 1 1 77 77 MET HA H 166 4.438 4.438 3.989 0.449 17780 3556 1 6 . 1 1 77 77 MET CA C 166 57.081 57.081 56.871 0.210 17780 3557 1 6 . 1 1 77 77 MET CB C 166 32.165 32.165 31.380 0.785 17780 3558 1 6 . 1 1 77 77 MET H H 166 9.013 9.013 8.334 0.679 17780 3559 1 6 . 1 1 78 78 ASP N N 167 119.933 119.933 119.774 0.159 17780 3560 1 6 . 1 1 78 78 ASP HA H 167 4.754 4.754 4.462 0.292 17780 3561 1 6 . 1 1 78 78 ASP CA C 167 52.485 52.485 56.731 -4.246 17780 3562 1 6 . 1 1 78 78 ASP CB C 167 38.802 38.802 41.276 -2.474 17780 3563 1 6 . 1 1 78 78 ASP H H 167 8.176 8.176 8.317 -0.141 17780 3564 1 6 . 1 1 79 79 GLU N N 168 116.934 116.934 114.551 2.383 17780 3565 1 6 . 1 1 79 79 GLU HA H 168 4.308 4.308 4.102 0.206 17780 3566 1 6 . 1 1 79 79 GLU CA C 168 58.638 58.638 56.752 1.886 17780 3567 1 6 . 1 1 79 79 GLU CB C 168 29.185 29.185 30.474 -1.289 17780 3568 1 6 . 1 1 79 79 GLU H H 168 8.332 8.332 8.157 0.175 17780 3569 1 6 . 1 1 81 81 SER N N 170 116.603 116.603 112.473 4.130 17780 3570 1 6 . 1 1 81 81 SER HA H 170 4.374 4.374 4.081 0.293 17780 3571 1 6 . 1 1 81 81 SER CA C 170 58.475 58.475 58.672 -0.197 17780 3572 1 6 . 1 1 81 81 SER CB C 170 63.677 63.677 62.689 0.988 17780 3573 1 6 . 1 1 81 81 SER H H 170 8.560 8.560 9.042 -0.482 17780 3574 1 6 . 1 1 83 83 GLN N N 172 120.404 120.404 119.393 1.011 17780 3575 1 6 . 1 1 83 83 GLN HA H 172 4.750 4.750 4.824 -0.074 17780 3576 1 6 . 1 1 83 83 GLN CA C 172 59.899 59.899 55.013 4.886 17780 3577 1 6 . 1 1 83 83 GLN CB C 172 29.023 29.023 31.909 -2.886 17780 3578 1 6 . 1 1 83 83 GLN H H 172 8.635 8.635 7.991 0.644 17780 3579 1 6 . 1 1 84 84 ASN N N 173 116.470 116.470 120.030 -3.560 17780 3580 1 6 . 1 1 84 84 ASN HA H 173 4.237 4.237 4.270 -0.033 17780 3581 1 6 . 1 1 84 84 ASN CA C 173 56.470 56.470 56.607 -0.137 17780 3582 1 6 . 1 1 84 84 ASN CB C 173 37.812 37.812 38.326 -0.514 17780 3583 1 6 . 1 1 84 84 ASN H H 173 8.352 8.352 9.032 -0.680 17780 3584 1 6 . 1 1 85 85 ASN N N 174 118.500 118.500 118.767 -0.267 17780 3585 1 6 . 1 1 85 85 ASN HA H 174 4.534 4.534 4.363 0.171 17780 3586 1 6 . 1 1 85 85 ASN CA C 174 55.905 55.905 54.679 1.226 17780 3587 1 6 . 1 1 85 85 ASN CB C 174 37.760 37.760 38.038 -0.278 17780 3588 1 6 . 1 1 85 85 ASN H H 174 8.602 8.602 8.366 0.236 17780 3589 1 6 . 1 1 86 86 PHE CB C 175 39.641 39.641 37.710 1.931 17780 3590 1 6 . 1 1 87 87 VAL N N 176 120.134 120.134 121.054 -0.920 17780 3591 1 6 . 1 1 87 87 VAL HA H 176 3.564 3.564 2.606 0.958 17780 3592 1 6 . 1 1 87 87 VAL CA C 176 67.737 67.737 65.674 2.063 17780 3593 1 6 . 1 1 87 87 VAL CB C 176 31.951 31.951 30.758 1.193 17780 3594 1 6 . 1 1 87 87 VAL H H 176 9.002 9.002 7.033 1.969 17780 3595 1 6 . 1 1 88 88 HIS N N 177 117.217 117.217 118.486 -1.269 17780 3596 1 6 . 1 1 88 88 HIS HA H 177 4.304 4.304 4.126 0.178 17780 3597 1 6 . 1 1 88 88 HIS CA C 177 59.781 59.781 58.615 1.166 17780 3598 1 6 . 1 1 88 88 HIS CB C 177 28.264 28.264 29.706 -1.442 17780 3599 1 6 . 1 1 88 88 HIS H H 177 8.330 8.330 7.682 0.648 17780 3600 1 6 . 1 1 89 89 ASP N N 178 118.497 118.497 119.231 -0.734 17780 3601 1 6 . 1 1 89 89 ASP HA H 178 4.500 4.500 4.582 -0.082 17780 3602 1 6 . 1 1 89 89 ASP CA C 178 57.423 57.423 56.468 0.956 17780 3603 1 6 . 1 1 89 89 ASP CB C 178 41.792 41.792 41.166 0.625 17780 3604 1 6 . 1 1 89 89 ASP H H 178 7.696 7.696 7.936 -0.240 17780 3605 1 6 . 1 1 90 90 CYS N N 179 119.012 119.012 120.207 -1.195 17780 3606 1 6 . 1 1 90 90 CYS HA H 179 4.753 4.753 4.310 0.443 17780 3607 1 6 . 1 1 90 90 CYS CA C 179 58.466 58.466 62.443 -3.977 17780 3608 1 6 . 1 1 90 90 CYS CB C 179 40.758 40.758 25.634 15.124 17780 3609 1 6 . 1 1 90 90 CYS H H 179 8.037 8.037 7.658 0.379 17780 3610 1 6 . 1 1 91 91 VAL N N 180 125.063 125.063 120.466 4.597 17780 3611 1 6 . 1 1 91 91 VAL HA H 180 3.667 3.667 3.649 0.018 17780 3612 1 6 . 1 1 91 91 VAL CA C 180 66.293 66.293 66.976 -0.683 17780 3613 1 6 . 1 1 91 91 VAL CB C 180 32.028 32.028 32.036 -0.008 17780 3614 1 6 . 1 1 91 91 VAL H H 180 9.212 9.212 8.542 0.670 17780 3615 1 6 . 1 1 92 92 ASN N N 181 116.153 116.153 118.666 -2.513 17780 3616 1 6 . 1 1 92 92 ASN HA H 181 4.311 4.311 4.427 -0.116 17780 3617 1 6 . 1 1 92 92 ASN CA C 181 56.622 56.622 56.317 0.305 17780 3618 1 6 . 1 1 92 92 ASN CB C 181 38.749 38.749 38.132 0.617 17780 3619 1 6 . 1 1 92 92 ASN H H 181 7.626 7.626 7.437 0.189 17780 3620 1 6 . 1 1 93 93 ILE N N 182 118.637 118.637 120.212 -1.575 17780 3621 1 6 . 1 1 93 93 ILE HA H 182 3.787 3.787 3.743 0.044 17780 3622 1 6 . 1 1 93 93 ILE CA C 182 62.078 62.078 64.283 -2.205 17780 3623 1 6 . 1 1 93 93 ILE CB C 182 36.535 36.535 36.508 0.028 17780 3624 1 6 . 1 1 93 93 ILE H H 182 8.610 8.610 8.714 -0.104 17780 3625 1 6 . 1 1 94 94 THR N N 183 118.229 118.229 117.499 0.730 17780 3626 1 6 . 1 1 94 94 THR HA H 183 4.097 4.097 4.041 0.056 17780 3627 1 6 . 1 1 94 94 THR CA C 183 68.834 68.834 67.355 1.480 17780 3628 1 6 . 1 1 94 94 THR CB C 183 68.258 68.258 68.603 -0.345 17780 3629 1 6 . 1 1 94 94 THR H H 183 8.140 8.140 8.146 -0.006 17780 3630 1 6 . 1 1 95 95 ILE N N 184 120.906 120.906 121.565 -0.659 17780 3631 1 6 . 1 1 95 95 ILE HA H 184 3.666 3.666 3.929 -0.263 17780 3632 1 6 . 1 1 95 95 ILE CA C 184 66.259 66.259 63.087 3.172 17780 3633 1 6 . 1 1 95 95 ILE CB C 184 36.824 36.824 37.919 -1.095 17780 3634 1 6 . 1 1 95 95 ILE H H 184 8.450 8.450 7.968 0.482 17780 3635 1 6 . 1 1 96 96 LYS N N 185 123.208 123.208 121.454 1.754 17780 3636 1 6 . 1 1 96 96 LYS HA H 185 4.067 4.067 3.865 0.202 17780 3637 1 6 . 1 1 96 96 LYS CA C 185 59.987 59.987 60.245 -0.258 17780 3638 1 6 . 1 1 96 96 LYS CB C 185 32.119 32.119 32.192 -0.073 17780 3639 1 6 . 1 1 96 96 LYS H H 185 8.067 8.067 8.501 -0.434 17780 3640 1 6 . 1 1 97 97 GLN N N 186 116.879 116.879 118.069 -1.190 17780 3641 1 6 . 1 1 97 97 GLN HA H 186 4.059 4.059 3.993 0.066 17780 3642 1 6 . 1 1 97 97 GLN CA C 186 58.010 58.010 58.863 -0.853 17780 3643 1 6 . 1 1 97 97 GLN CB C 186 27.982 27.982 28.250 -0.268 17780 3644 1 6 . 1 1 97 97 GLN H H 186 8.493 8.493 8.338 0.155 17780 3645 1 6 . 1 1 98 98 HIS N N 187 119.676 119.676 121.773 -2.097 17780 3646 1 6 . 1 1 98 98 HIS HA H 187 4.579 4.579 4.454 0.125 17780 3647 1 6 . 1 1 98 98 HIS CA C 187 59.465 59.465 59.392 0.074 17780 3648 1 6 . 1 1 98 98 HIS CB C 187 31.628 31.628 29.849 1.779 17780 3649 1 6 . 1 1 98 98 HIS H H 187 8.435 8.435 7.632 0.803 17780 3650 1 6 . 1 1 99 99 THR N N 188 114.500 114.500 115.548 -1.048 17780 3651 1 6 . 1 1 99 99 THR HA H 188 4.090 4.090 3.723 0.367 17780 3652 1 6 . 1 1 99 99 THR CA C 188 66.210 66.210 65.883 0.327 17780 3653 1 6 . 1 1 99 99 THR CB C 188 68.800 68.800 68.377 0.423 17780 3654 1 6 . 1 1 99 99 THR H H 188 8.440 8.440 8.308 0.132 17780 3655 1 6 . 1 1 100 100 VAL N N 189 122.934 122.934 120.262 2.672 17780 3656 1 6 . 1 1 100 100 VAL HA H 189 3.838 3.838 3.657 0.181 17780 3657 1 6 . 1 1 100 100 VAL CA C 189 65.832 65.832 66.132 -0.300 17780 3658 1 6 . 1 1 100 100 VAL CB C 189 31.897 31.897 31.915 -0.018 17780 3659 1 6 . 1 1 100 100 VAL H H 189 8.057 8.057 7.665 0.392 17780 3660 1 6 . 1 1 101 101 THR N N 190 115.101 115.101 112.626 2.475 17780 3661 1 6 . 1 1 101 101 THR HA H 190 4.140 4.140 3.930 0.210 17780 3662 1 6 . 1 1 101 101 THR CA C 190 64.907 64.907 66.235 -1.328 17780 3663 1 6 . 1 1 101 101 THR CB C 190 69.041 69.041 68.501 0.540 17780 3664 1 6 . 1 1 101 101 THR H H 190 8.131 8.131 7.824 0.307 17780 3665 1 6 . 1 1 102 102 THR N N 191 114.546 114.546 118.396 -3.850 17780 3666 1 6 . 1 1 102 102 THR HA H 191 4.092 4.092 3.840 0.252 17780 3667 1 6 . 1 1 102 102 THR CA C 191 64.801 64.801 67.337 -2.536 17780 3668 1 6 . 1 1 102 102 THR CB C 191 69.145 69.145 68.115 1.030 17780 3669 1 6 . 1 1 102 102 THR H H 191 8.011 8.011 7.888 0.123 17780 3670 1 6 . 1 1 103 103 THR N N 192 117.876 117.876 114.297 3.579 17780 3671 1 6 . 1 1 103 103 THR HA H 192 4.373 4.373 4.698 -0.325 17780 3672 1 6 . 1 1 103 103 THR CA C 192 64.935 64.935 65.328 -0.393 17780 3673 1 6 . 1 1 103 103 THR CB C 192 69.043 69.043 68.285 0.758 17780 3674 1 6 . 1 1 103 103 THR H H 192 8.224 8.224 7.585 0.639 17780 3675 1 6 . 1 1 104 104 THR N N 193 116.232 116.232 118.571 -2.339 17780 3676 1 6 . 1 1 104 104 THR HA H 193 4.204 4.204 4.127 0.077 17780 3677 1 6 . 1 1 104 104 THR CA C 193 64.311 64.311 65.800 -1.489 17780 3678 1 6 . 1 1 104 104 THR CB C 193 68.981 68.981 68.603 0.378 17780 3679 1 6 . 1 1 104 104 THR H H 193 7.805 7.805 7.706 0.099 17780 3680 1 6 . 1 1 105 105 LYS N N 194 119.843 119.843 118.879 0.964 17780 3681 1 6 . 1 1 105 105 LYS HA H 194 4.384 4.384 4.420 -0.036 17780 3682 1 6 . 1 1 105 105 LYS CA C 194 56.220 56.220 55.320 0.900 17780 3683 1 6 . 1 1 105 105 LYS CB C 194 32.527 32.527 32.465 0.062 17780 3684 1 6 . 1 1 105 105 LYS H H 194 7.504 7.504 7.613 -0.109 17780 3685 1 6 . 1 1 106 106 GLY N N 195 107.946 107.946 107.898 0.048 17780 3686 1 6 . 1 1 106 106 GLY CA C 195 45.431 45.431 45.229 0.202 17780 3687 1 6 . 1 1 106 106 GLY H H 195 7.924 7.924 7.645 0.279 17780 3688 1 6 . 1 1 107 107 GLU N N 196 120.063 120.063 119.822 0.241 17780 3689 1 6 . 1 1 107 107 GLU HA H 196 4.255 4.255 4.708 -0.453 17780 3690 1 6 . 1 1 107 107 GLU CA C 196 55.597 55.597 54.579 1.018 17780 3691 1 6 . 1 1 107 107 GLU CB C 196 31.073 31.073 32.980 -1.907 17780 3692 1 6 . 1 1 107 107 GLU H H 196 7.465 7.465 8.151 -0.686 17780 3693 1 6 . 1 1 108 108 ASN N N 197 119.350 119.350 118.834 0.516 17780 3694 1 6 . 1 1 108 108 ASN HA H 197 4.657 4.657 5.049 -0.392 17780 3695 1 6 . 1 1 108 108 ASN CA C 197 52.673 52.673 53.297 -0.624 17780 3696 1 6 . 1 1 108 108 ASN CB C 197 40.827 40.827 39.859 0.968 17780 3697 1 6 . 1 1 108 108 ASN H H 197 8.458 8.458 8.619 -0.161 17780 3698 1 6 . 1 1 109 109 PHE N N 198 121.688 121.688 121.480 0.208 17780 3699 1 6 . 1 1 109 109 PHE HA H 198 5.317 5.317 4.812 0.505 17780 3700 1 6 . 1 1 109 109 PHE CA C 198 56.571 56.571 56.182 0.389 17780 3701 1 6 . 1 1 109 109 PHE CB C 198 40.093 40.093 42.381 -2.288 17780 3702 1 6 . 1 1 109 109 PHE H H 198 8.709 8.709 8.499 0.210 17780 3703 1 6 . 1 1 110 110 THR N N 199 115.904 115.904 115.801 0.103 17780 3704 1 6 . 1 1 110 110 THR HA H 199 4.624 4.624 4.576 0.048 17780 3705 1 6 . 1 1 110 110 THR CA C 199 60.343 60.343 61.263 -0.920 17780 3706 1 6 . 1 1 110 110 THR CB C 199 72.033 72.033 70.382 1.651 17780 3707 1 6 . 1 1 110 110 THR H H 199 9.547 9.547 8.885 0.662 17780 3708 1 6 . 1 1 111 111 GLU N N 200 119.988 119.988 120.453 -0.465 17780 3709 1 6 . 1 1 111 111 GLU HA H 200 4.067 4.067 4.046 0.021 17780 3710 1 6 . 1 1 111 111 GLU CA C 200 60.027 60.027 59.796 0.231 17780 3711 1 6 . 1 1 111 111 GLU CB C 200 28.976 28.976 28.726 0.251 17780 3712 1 6 . 1 1 111 111 GLU H H 200 9.132 9.132 9.017 0.115 17780 3713 1 6 . 1 1 112 112 THR N N 201 116.221 116.221 115.935 0.286 17780 3714 1 6 . 1 1 112 112 THR HA H 201 3.796 3.796 4.139 -0.343 17780 3715 1 6 . 1 1 112 112 THR CA C 201 66.781 66.781 66.218 0.563 17780 3716 1 6 . 1 1 112 112 THR CB C 201 68.581 68.581 68.147 0.434 17780 3717 1 6 . 1 1 112 112 THR H H 201 7.934 7.934 8.162 -0.228 17780 3718 1 6 . 1 1 113 113 ASP N N 202 120.001 120.001 123.193 -3.192 17780 3719 1 6 . 1 1 113 113 ASP HA H 202 4.598 4.598 4.607 -0.009 17780 3720 1 6 . 1 1 113 113 ASP CA C 202 57.984 57.984 58.341 -0.357 17780 3721 1 6 . 1 1 113 113 ASP CB C 202 41.756 41.756 41.015 0.741 17780 3722 1 6 . 1 1 113 113 ASP H H 202 7.503 7.503 8.215 -0.712 17780 3723 1 6 . 1 1 114 114 VAL N N 203 119.529 119.529 119.673 -0.144 17780 3724 1 6 . 1 1 114 114 VAL HA H 203 3.279 3.279 3.560 -0.281 17780 3725 1 6 . 1 1 114 114 VAL CA C 203 67.817 67.817 66.448 1.369 17780 3726 1 6 . 1 1 114 114 VAL CB C 203 31.528 31.528 31.765 -0.237 17780 3727 1 6 . 1 1 114 114 VAL H H 203 8.209 8.209 7.716 0.493 17780 3728 1 6 . 1 1 115 115 LYS N N 204 119.051 119.051 120.738 -1.687 17780 3729 1 6 . 1 1 115 115 LYS HA H 204 4.082 4.082 4.298 -0.216 17780 3730 1 6 . 1 1 115 115 LYS CA C 204 59.268 59.268 59.403 -0.134 17780 3731 1 6 . 1 1 115 115 LYS CB C 204 31.979 31.979 32.816 -0.837 17780 3732 1 6 . 1 1 115 115 LYS H H 204 7.714 7.714 8.043 -0.329 17780 3733 1 6 . 1 1 116 116 MET N N 205 118.581 118.581 116.367 2.214 17780 3734 1 6 . 1 1 116 116 MET HA H 205 4.167 4.167 4.416 -0.249 17780 3735 1 6 . 1 1 116 116 MET CA C 205 59.984 59.984 58.687 1.297 17780 3736 1 6 . 1 1 116 116 MET CB C 205 32.933 32.933 33.025 -0.092 17780 3737 1 6 . 1 1 116 116 MET H H 205 8.182 8.182 8.290 -0.108 17780 3738 1 6 . 1 1 117 117 MET N N 206 118.259 118.259 117.628 0.631 17780 3739 1 6 . 1 1 117 117 MET HA H 206 3.561 3.561 4.145 -0.584 17780 3740 1 6 . 1 1 117 117 MET CA C 206 59.967 59.967 58.433 1.534 17780 3741 1 6 . 1 1 117 117 MET CB C 206 33.824 33.824 31.824 2.000 17780 3742 1 6 . 1 1 117 117 MET H H 206 8.691 8.691 7.768 0.923 17780 3743 1 6 . 1 1 118 118 GLU N N 207 118.878 118.878 120.323 -1.445 17780 3744 1 6 . 1 1 118 118 GLU HA H 207 3.658 3.658 3.919 -0.261 17780 3745 1 6 . 1 1 118 118 GLU CA C 207 60.702 60.702 59.416 1.286 17780 3746 1 6 . 1 1 118 118 GLU CB C 207 29.000 29.000 29.377 -0.377 17780 3747 1 6 . 1 1 118 118 GLU H H 207 8.544 8.544 8.096 0.448 17780 3748 1 6 . 1 1 119 119 ARG N N 208 116.694 116.694 118.503 -1.809 17780 3749 1 6 . 1 1 119 119 ARG HA H 208 4.228 4.228 4.075 0.153 17780 3750 1 6 . 1 1 119 119 ARG CA C 208 58.554 58.554 59.029 -0.475 17780 3751 1 6 . 1 1 119 119 ARG CB C 208 30.136 30.136 29.753 0.383 17780 3752 1 6 . 1 1 119 119 ARG H H 208 7.289 7.289 7.631 -0.342 17780 3753 1 6 . 1 1 120 120 VAL N N 209 119.035 119.035 118.551 0.484 17780 3754 1 6 . 1 1 120 120 VAL HA H 209 3.837 3.837 3.823 0.014 17780 3755 1 6 . 1 1 120 120 VAL CA C 209 65.766 65.766 65.794 -0.028 17780 3756 1 6 . 1 1 120 120 VAL CB C 209 32.213 32.213 31.675 0.538 17780 3757 1 6 . 1 1 120 120 VAL H H 209 8.279 8.279 7.306 0.973 17780 3758 1 6 . 1 1 121 121 VAL N N 210 121.668 121.668 116.383 5.285 17780 3759 1 6 . 1 1 121 121 VAL HA H 210 3.597 3.597 3.761 -0.164 17780 3760 1 6 . 1 1 121 121 VAL CA C 210 66.639 66.639 65.982 0.657 17780 3761 1 6 . 1 1 121 121 VAL CB C 210 31.097 31.097 30.955 0.142 17780 3762 1 6 . 1 1 121 121 VAL H H 210 9.183 9.183 7.878 1.305 17780 3763 1 6 . 1 1 122 122 GLU N N 211 120.770 120.770 120.413 0.357 17780 3764 1 6 . 1 1 122 122 GLU HA H 211 3.603 3.603 3.877 -0.274 17780 3765 1 6 . 1 1 122 122 GLU CA C 211 61.132 61.132 60.200 0.932 17780 3766 1 6 . 1 1 122 122 GLU CB C 211 29.153 29.153 29.102 0.051 17780 3767 1 6 . 1 1 122 122 GLU H H 211 8.041 8.041 7.733 0.308 17780 3768 1 6 . 1 1 123 123 GLN N N 212 114.580 114.580 117.524 -2.944 17780 3769 1 6 . 1 1 123 123 GLN HA H 212 3.662 3.662 4.142 -0.480 17780 3770 1 6 . 1 1 123 123 GLN CA C 212 58.509 58.509 57.718 0.791 17780 3771 1 6 . 1 1 123 123 GLN CB C 212 27.824 27.824 28.142 -0.318 17780 3772 1 6 . 1 1 123 123 GLN H H 212 7.096 7.096 7.799 -0.703 17780 3773 1 6 . 1 1 124 124 MET N N 213 119.748 119.748 120.622 -0.874 17780 3774 1 6 . 1 1 124 124 MET HA H 213 4.167 4.167 4.243 -0.076 17780 3775 1 6 . 1 1 124 124 MET CA C 213 59.928 59.928 58.950 0.978 17780 3776 1 6 . 1 1 124 124 MET CB C 213 34.529 34.529 32.672 1.857 17780 3777 1 6 . 1 1 124 124 MET H H 213 8.145 8.145 7.700 0.445 17780 3778 1 6 . 1 1 125 125 CYS N N 214 119.538 119.538 119.181 0.357 17780 3779 1 6 . 1 1 125 125 CYS HA H 214 4.427 4.427 4.268 0.159 17780 3780 1 6 . 1 1 125 125 CYS CA C 214 59.838 59.838 62.525 -2.687 17780 3781 1 6 . 1 1 125 125 CYS CB C 214 41.798 41.798 25.576 16.222 17780 3782 1 6 . 1 1 125 125 CYS H H 214 9.275 9.275 7.844 1.431 17780 3783 1 6 . 1 1 126 126 ILE N N 215 123.982 123.982 120.773 3.209 17780 3784 1 6 . 1 1 126 126 ILE HA H 215 3.579 3.579 3.921 -0.342 17780 3785 1 6 . 1 1 126 126 ILE CA C 215 66.649 66.649 65.324 1.325 17780 3786 1 6 . 1 1 126 126 ILE CB C 215 38.152 38.152 38.051 0.101 17780 3787 1 6 . 1 1 126 126 ILE H H 215 8.434 8.434 7.676 0.758 17780 3788 1 6 . 1 1 127 127 THR N N 216 118.728 118.728 116.111 2.617 17780 3789 1 6 . 1 1 127 127 THR HA H 216 3.835 3.835 3.987 -0.152 17780 3790 1 6 . 1 1 127 127 THR CA C 216 67.425 67.425 67.259 0.166 17780 3791 1 6 . 1 1 127 127 THR CB C 216 68.035 68.035 68.265 -0.230 17780 3792 1 6 . 1 1 127 127 THR H H 216 8.097 8.097 7.809 0.288 17780 3793 1 6 . 1 1 128 128 GLN N N 217 122.368 122.368 120.469 1.899 17780 3794 1 6 . 1 1 128 128 GLN HA H 217 3.662 3.662 4.200 -0.538 17780 3795 1 6 . 1 1 128 128 GLN CA C 217 58.462 58.462 58.723 -0.261 17780 3796 1 6 . 1 1 128 128 GLN CB C 217 28.075 28.075 28.239 -0.164 17780 3797 1 6 . 1 1 128 128 GLN H H 217 8.637 8.637 7.943 0.694 17780 3798 1 6 . 1 1 129 129 TYR N N 218 121.512 121.512 123.197 -1.685 17780 3799 1 6 . 1 1 129 129 TYR HA H 218 2.929 2.929 4.099 -1.170 17780 3800 1 6 . 1 1 129 129 TYR CA C 218 61.904 61.904 60.684 1.220 17780 3801 1 6 . 1 1 129 129 TYR CB C 218 37.075 37.075 38.378 -1.303 17780 3802 1 6 . 1 1 129 129 TYR H H 218 8.705 8.705 8.898 -0.193 17780 3803 1 6 . 1 1 130 130 LYS N N 219 120.801 120.801 116.991 3.810 17780 3804 1 6 . 1 1 130 130 LYS HA H 219 3.667 3.667 3.630 0.037 17780 3805 1 6 . 1 1 130 130 LYS CA C 219 60.001 60.001 57.835 2.166 17780 3806 1 6 . 1 1 130 130 LYS CB C 219 31.732 31.732 31.506 0.226 17780 3807 1 6 . 1 1 130 130 LYS H H 219 8.232 8.232 8.331 -0.099 17780 3808 1 6 . 1 1 131 131 ARG HA H 220 3.978 3.978 4.015 -0.037 17780 3809 1 6 . 1 1 131 131 ARG CA C 220 59.013 59.013 58.811 0.202 17780 3810 1 6 . 1 1 131 131 ARG CB C 220 30.028 30.028 30.029 -0.001 17780 3811 1 6 . 1 1 132 132 GLU N N 221 119.690 119.690 118.915 0.775 17780 3812 1 6 . 1 1 132 132 GLU HA H 221 4.035 4.035 4.181 -0.146 17780 3813 1 6 . 1 1 132 132 GLU CA C 221 58.006 58.006 58.039 -0.033 17780 3814 1 6 . 1 1 132 132 GLU CB C 221 29.270 29.270 28.762 0.508 17780 3815 1 6 . 1 1 132 132 GLU H H 221 8.521 8.521 8.275 0.246 17780 3816 1 6 . 1 1 133 133 SER N N 222 115.963 115.963 115.876 0.087 17780 3817 1 6 . 1 1 133 133 SER HA H 222 3.884 3.884 3.865 0.019 17780 3818 1 6 . 1 1 133 133 SER CA C 222 61.500 61.500 61.743 -0.243 17780 3819 1 6 . 1 1 133 133 SER CB C 222 62.207 62.207 61.907 0.300 17780 3820 1 6 . 1 1 133 133 SER H H 222 8.543 8.543 8.319 0.224 17780 3821 1 6 . 1 1 134 134 GLN N N 223 120.695 120.695 120.389 0.306 17780 3822 1 6 . 1 1 134 134 GLN HA H 223 4.152 4.152 3.844 0.308 17780 3823 1 6 . 1 1 134 134 GLN CA C 223 58.646 58.646 58.282 0.364 17780 3824 1 6 . 1 1 134 134 GLN CB C 223 28.299 28.299 28.446 -0.147 17780 3825 1 6 . 1 1 134 134 GLN H H 223 7.486 7.486 7.250 0.236 17780 3826 1 6 . 1 1 135 135 ALA N N 224 120.905 120.905 120.823 0.082 17780 3827 1 6 . 1 1 135 135 ALA HA H 224 4.169 4.169 4.121 0.048 17780 3828 1 6 . 1 1 135 135 ALA CA C 224 54.404 54.404 54.286 0.118 17780 3829 1 6 . 1 1 135 135 ALA CB C 224 18.233 18.233 18.361 -0.128 17780 3830 1 6 . 1 1 135 135 ALA H H 224 7.497 7.497 7.346 0.151 17780 3831 1 6 . 1 1 136 136 TYR N N 225 119.969 119.969 121.073 -1.104 17780 3832 1 6 . 1 1 136 136 TYR HA H 225 4.080 4.080 4.105 -0.025 17780 3833 1 6 . 1 1 136 136 TYR CA C 225 61.060 61.060 61.021 0.039 17780 3834 1 6 . 1 1 136 136 TYR CB C 225 39.008 39.008 38.469 0.539 17780 3835 1 6 . 1 1 136 136 TYR H H 225 8.215 8.215 7.767 0.448 17780 3836 1 6 . 1 1 137 137 TYR N N 226 117.988 117.988 117.281 0.707 17780 3837 1 6 . 1 1 137 137 TYR HA H 226 4.319 4.319 3.968 0.351 17780 3838 1 6 . 1 1 137 137 TYR CA C 226 59.543 59.543 58.511 1.032 17780 3839 1 6 . 1 1 137 137 TYR CB C 226 37.769 37.769 36.647 1.122 17780 3840 1 6 . 1 1 137 137 TYR H H 226 8.022 8.022 8.549 -0.527 17780 3841 1 6 . 1 1 138 138 GLN N N 227 118.911 118.911 118.735 0.176 17780 3842 1 6 . 1 1 138 138 GLN HA H 227 4.189 4.189 4.182 0.007 17780 3843 1 6 . 1 1 138 138 GLN CA C 227 57.002 57.002 56.865 0.137 17780 3844 1 6 . 1 1 138 138 GLN CB C 227 28.740 28.740 27.578 1.162 17780 3845 1 6 . 1 1 138 138 GLN H H 227 7.838 7.838 7.603 0.235 17780 3846 1 6 . 1 1 139 139 ARG N N 228 119.910 119.910 119.271 0.639 17780 3847 1 6 . 1 1 139 139 ARG HA H 228 4.207 4.207 4.147 0.060 17780 3848 1 6 . 1 1 139 139 ARG CA C 228 57.338 57.338 57.276 0.062 17780 3849 1 6 . 1 1 139 139 ARG CB C 228 30.390 30.390 29.945 0.445 17780 3850 1 6 . 1 1 139 139 ARG H H 228 7.862 7.862 8.151 -0.289 17780 3851 1 6 . 1 1 140 140 GLY N N 229 108.627 108.627 105.298 3.329 17780 3852 1 6 . 1 1 140 140 GLY CA C 229 45.477 45.477 44.947 0.530 17780 3853 1 6 . 1 1 140 140 GLY H H 229 8.092 8.092 7.971 0.120 17780 3854 1 6 . 1 1 141 141 SER N N 230 115.141 115.141 116.906 -1.765 17780 3855 1 6 . 1 1 141 141 SER HA H 230 4.330 4.330 4.673 -0.344 17780 3856 1 6 . 1 1 141 141 SER CA C 230 58.650 58.650 58.321 0.329 17780 3857 1 6 . 1 1 141 141 SER CB C 230 63.641 63.641 64.635 -0.994 17780 3858 1 6 . 1 1 141 141 SER H H 230 8.050 8.050 7.479 0.571 17780 3859 1 7 . 1 1 2 2 GLN N N 91 119.729 119.729 119.734 -0.005 17780 3860 1 7 . 1 1 2 2 GLN HA H 91 4.407 4.407 4.545 -0.138 17780 3861 1 7 . 1 1 2 2 GLN CA C 91 55.969 55.969 55.655 0.314 17780 3862 1 7 . 1 1 2 2 GLN CB C 91 29.576 29.576 30.013 -0.437 17780 3863 1 7 . 1 1 2 2 GLN H H 91 8.267 8.267 8.281 -0.014 17780 3864 1 7 . 1 1 3 3 GLY N N 92 110.081 110.081 107.360 2.721 17780 3865 1 7 . 1 1 3 3 GLY CA C 92 45.115 45.115 45.072 0.043 17780 3866 1 7 . 1 1 3 3 GLY H H 92 8.515 8.515 8.968 -0.453 17780 3867 1 7 . 1 1 4 4 GLY N N 93 108.748 108.748 106.895 1.853 17780 3868 1 7 . 1 1 4 4 GLY CA C 93 45.228 45.228 45.162 0.066 17780 3869 1 7 . 1 1 4 4 GLY H H 93 8.331 8.331 8.287 0.044 17780 3870 1 7 . 1 1 5 5 GLY N N 94 108.857 108.857 107.450 1.407 17780 3871 1 7 . 1 1 5 5 GLY CA C 94 45.172 45.172 44.824 0.348 17780 3872 1 7 . 1 1 5 5 GLY H H 94 8.362 8.362 8.239 0.123 17780 3873 1 7 . 1 1 6 6 THR N N 95 113.538 113.538 113.439 0.099 17780 3874 1 7 . 1 1 6 6 THR HA H 95 4.282 4.282 4.306 -0.024 17780 3875 1 7 . 1 1 6 6 THR CA C 95 61.906 61.906 61.043 0.863 17780 3876 1 7 . 1 1 6 6 THR CB C 95 69.711 69.711 70.422 -0.711 17780 3877 1 7 . 1 1 6 6 THR H H 95 8.129 8.129 8.162 -0.033 17780 3878 1 7 . 1 1 7 7 HIS N N 96 121.027 121.027 119.894 1.133 17780 3879 1 7 . 1 1 7 7 HIS HA H 96 4.713 4.713 5.004 -0.291 17780 3880 1 7 . 1 1 7 7 HIS CA C 96 55.169 55.169 55.616 -0.447 17780 3881 1 7 . 1 1 7 7 HIS CB C 96 29.575 29.575 31.421 -1.846 17780 3882 1 7 . 1 1 7 7 HIS H H 96 8.497 8.497 8.732 -0.235 17780 3883 1 7 . 1 1 8 8 SER N N 97 117.031 117.031 115.022 2.009 17780 3884 1 7 . 1 1 8 8 SER HA H 97 4.405 4.405 4.622 -0.217 17780 3885 1 7 . 1 1 8 8 SER CA C 97 58.379 58.379 57.719 0.660 17780 3886 1 7 . 1 1 8 8 SER CB C 97 63.535 63.535 64.113 -0.578 17780 3887 1 7 . 1 1 8 8 SER H H 97 8.275 8.275 8.421 -0.146 17780 3888 1 7 . 1 1 9 9 GLN N N 98 122.084 122.084 124.823 -2.739 17780 3889 1 7 . 1 1 9 9 GLN HA H 98 4.279 4.279 4.680 -0.401 17780 3890 1 7 . 1 1 9 9 GLN CA C 98 55.970 55.970 55.731 0.239 17780 3891 1 7 . 1 1 9 9 GLN CB C 98 29.157 29.157 30.291 -1.134 17780 3892 1 7 . 1 1 9 9 GLN H H 98 8.462 8.462 8.533 -0.071 17780 3893 1 7 . 1 1 10 10 TRP N N 99 121.630 121.630 127.938 -6.308 17780 3894 1 7 . 1 1 10 10 TRP HA H 99 4.676 4.676 4.800 -0.124 17780 3895 1 7 . 1 1 10 10 TRP CA C 99 57.046 57.046 57.596 -0.550 17780 3896 1 7 . 1 1 10 10 TRP CB C 99 29.440 29.440 30.523 -1.083 17780 3897 1 7 . 1 1 10 10 TRP H H 99 8.086 8.086 8.395 -0.309 17780 3898 1 7 . 1 1 11 11 ASN N N 100 120.591 120.591 121.977 -1.386 17780 3899 1 7 . 1 1 11 11 ASN HA H 100 4.602 4.602 4.119 0.483 17780 3900 1 7 . 1 1 11 11 ASN CA C 100 52.675 52.675 51.738 0.937 17780 3901 1 7 . 1 1 11 11 ASN CB C 100 38.781 38.781 40.364 -1.583 17780 3902 1 7 . 1 1 11 11 ASN H H 100 8.095 8.095 7.540 0.555 17780 3903 1 7 . 1 1 12 12 LYS N N 101 122.656 122.656 122.294 0.362 17780 3904 1 7 . 1 1 12 12 LYS HA H 101 4.435 4.435 4.264 0.171 17780 3905 1 7 . 1 1 12 12 LYS CA C 101 54.139 54.139 54.839 -0.700 17780 3906 1 7 . 1 1 12 12 LYS CB C 101 32.474 32.474 33.048 -0.574 17780 3907 1 7 . 1 1 12 12 LYS H H 101 7.985 7.985 7.947 0.038 17780 3908 1 7 . 1 1 13 13 PRO HA H 102 4.425 4.425 4.590 -0.165 17780 3909 1 7 . 1 1 13 13 PRO CA C 102 63.065 63.065 63.628 -0.563 17780 3910 1 7 . 1 1 13 13 PRO CB C 102 32.056 32.056 32.262 -0.206 17780 3911 1 7 . 1 1 14 14 SER N N 103 116.881 116.881 114.863 2.018 17780 3912 1 7 . 1 1 14 14 SER HA H 103 4.430 4.430 4.783 -0.353 17780 3913 1 7 . 1 1 14 14 SER CA C 103 57.973 57.973 57.748 0.225 17780 3914 1 7 . 1 1 14 14 SER CB C 103 63.669 63.669 66.328 -2.659 17780 3915 1 7 . 1 1 14 14 SER H H 103 8.420 8.420 7.993 0.427 17780 3916 1 7 . 1 1 15 15 LYS N N 104 124.163 124.163 120.761 3.402 17780 3917 1 7 . 1 1 15 15 LYS HA H 104 4.620 4.620 4.902 -0.282 17780 3918 1 7 . 1 1 15 15 LYS CA C 104 54.160 54.160 54.496 -0.336 17780 3919 1 7 . 1 1 15 15 LYS CB C 104 32.606 32.606 32.129 0.477 17780 3920 1 7 . 1 1 15 15 LYS H H 104 8.321 8.321 8.293 0.028 17780 3921 1 7 . 1 1 16 16 PRO HA H 105 4.412 4.412 4.571 -0.159 17780 3922 1 7 . 1 1 16 16 PRO CA C 105 63.012 63.012 62.671 0.341 17780 3923 1 7 . 1 1 16 16 PRO CB C 105 32.152 32.152 32.379 -0.227 17780 3924 1 7 . 1 1 17 17 LYS N N 106 122.072 122.072 119.550 2.522 17780 3925 1 7 . 1 1 17 17 LYS HA H 106 4.338 4.338 4.696 -0.358 17780 3926 1 7 . 1 1 17 17 LYS CA C 106 56.299 56.299 55.756 0.543 17780 3927 1 7 . 1 1 17 17 LYS CB C 106 32.928 32.928 35.062 -2.134 17780 3928 1 7 . 1 1 17 17 LYS H H 106 8.516 8.516 8.813 -0.297 17780 3929 1 7 . 1 1 18 18 THR N N 107 115.252 115.252 114.085 1.167 17780 3930 1 7 . 1 1 18 18 THR HA H 107 4.323 4.323 4.803 -0.480 17780 3931 1 7 . 1 1 18 18 THR CA C 107 61.523 61.523 61.066 0.457 17780 3932 1 7 . 1 1 18 18 THR CB C 107 69.778 69.778 70.387 -0.609 17780 3933 1 7 . 1 1 18 18 THR H H 107 8.133 8.133 8.495 -0.362 17780 3934 1 7 . 1 1 19 19 ASN N N 108 121.344 121.344 120.711 0.633 17780 3935 1 7 . 1 1 19 19 ASN HA H 108 4.712 4.712 5.247 -0.535 17780 3936 1 7 . 1 1 19 19 ASN CA C 108 53.019 53.019 52.104 0.915 17780 3937 1 7 . 1 1 19 19 ASN CB C 108 38.728 38.728 40.527 -1.799 17780 3938 1 7 . 1 1 19 19 ASN H H 108 8.537 8.537 8.709 -0.172 17780 3939 1 7 . 1 1 20 20 MET N N 109 121.309 121.309 118.920 2.389 17780 3940 1 7 . 1 1 20 20 MET HA H 109 4.437 4.437 4.967 -0.530 17780 3941 1 7 . 1 1 20 20 MET CA C 109 55.446 55.446 54.930 0.516 17780 3942 1 7 . 1 1 20 20 MET CB C 109 32.809 32.809 35.473 -2.664 17780 3943 1 7 . 1 1 20 20 MET H H 109 8.346 8.346 8.831 -0.485 17780 3944 1 7 . 1 1 21 21 LYS N N 110 122.292 122.292 120.247 2.045 17780 3945 1 7 . 1 1 21 21 LYS HA H 110 4.237 4.237 4.697 -0.460 17780 3946 1 7 . 1 1 21 21 LYS CA C 110 56.394 56.394 55.794 0.601 17780 3947 1 7 . 1 1 21 21 LYS CB C 110 32.923 32.923 35.416 -2.493 17780 3948 1 7 . 1 1 21 21 LYS H H 110 8.300 8.300 8.860 -0.560 17780 3949 1 7 . 1 1 22 22 HIS N N 111 120.193 120.193 121.822 -1.629 17780 3950 1 7 . 1 1 22 22 HIS HA H 111 4.642 4.642 5.087 -0.445 17780 3951 1 7 . 1 1 22 22 HIS CA C 111 55.391 55.391 54.587 0.804 17780 3952 1 7 . 1 1 22 22 HIS CB C 111 29.501 29.501 32.756 -3.255 17780 3953 1 7 . 1 1 22 22 HIS H H 111 8.406 8.406 8.379 0.027 17780 3954 1 7 . 1 1 23 23 MET N N 112 122.529 122.529 120.374 2.155 17780 3955 1 7 . 1 1 23 23 MET HA H 112 4.464 4.464 5.121 -0.657 17780 3956 1 7 . 1 1 23 23 MET CA C 112 55.125 55.125 55.019 0.106 17780 3957 1 7 . 1 1 23 23 MET CB C 112 32.930 32.930 35.590 -2.659 17780 3958 1 7 . 1 1 23 23 MET H H 112 8.326 8.326 8.965 -0.639 17780 3959 1 7 . 1 1 24 24 ALA N N 113 125.642 125.642 125.569 0.073 17780 3960 1 7 . 1 1 24 24 ALA HA H 113 4.315 4.315 5.355 -1.040 17780 3961 1 7 . 1 1 24 24 ALA CA C 113 52.521 52.521 51.837 0.684 17780 3962 1 7 . 1 1 24 24 ALA CB C 113 19.181 19.181 21.204 -2.023 17780 3963 1 7 . 1 1 24 24 ALA H H 113 8.370 8.370 9.188 -0.818 17780 3964 1 7 . 1 1 25 25 GLY N N 114 108.473 108.473 106.962 1.511 17780 3965 1 7 . 1 1 25 25 GLY CA C 114 45.175 45.175 45.569 -0.394 17780 3966 1 7 . 1 1 25 25 GLY H H 114 8.373 8.373 10.342 -1.969 17780 3967 1 7 . 1 1 26 26 ALA N N 115 123.872 123.872 122.627 1.245 17780 3968 1 7 . 1 1 26 26 ALA HA H 115 4.316 4.316 4.625 -0.309 17780 3969 1 7 . 1 1 26 26 ALA CA C 115 52.496 52.496 51.902 0.594 17780 3970 1 7 . 1 1 26 26 ALA CB C 115 19.181 19.181 20.602 -1.421 17780 3971 1 7 . 1 1 26 26 ALA H H 115 8.134 8.134 8.274 -0.140 17780 3972 1 7 . 1 1 27 27 ALA N N 116 123.172 123.172 123.716 -0.544 17780 3973 1 7 . 1 1 27 27 ALA HA H 116 4.287 4.287 4.635 -0.348 17780 3974 1 7 . 1 1 27 27 ALA CA C 116 52.464 52.464 52.002 0.463 17780 3975 1 7 . 1 1 27 27 ALA CB C 116 19.180 19.180 18.143 1.037 17780 3976 1 7 . 1 1 27 27 ALA H H 116 8.268 8.268 8.404 -0.136 17780 3977 1 7 . 1 1 28 28 ALA N N 117 123.253 123.253 125.789 -2.536 17780 3978 1 7 . 1 1 28 28 ALA HA H 117 4.277 4.277 4.611 -0.334 17780 3979 1 7 . 1 1 28 28 ALA CA C 117 52.383 52.383 52.699 -0.316 17780 3980 1 7 . 1 1 28 28 ALA CB C 117 19.156 19.156 19.260 -0.104 17780 3981 1 7 . 1 1 28 28 ALA H H 117 8.169 8.169 8.689 -0.520 17780 3982 1 7 . 1 1 29 29 ALA N N 118 123.225 123.225 124.175 -0.950 17780 3983 1 7 . 1 1 29 29 ALA HA H 118 4.282 4.282 4.441 -0.159 17780 3984 1 7 . 1 1 29 29 ALA CA C 118 52.469 52.469 52.185 0.284 17780 3985 1 7 . 1 1 29 29 ALA CB C 118 19.129 19.129 19.960 -0.831 17780 3986 1 7 . 1 1 29 29 ALA H H 118 8.204 8.204 7.603 0.601 17780 3987 1 7 . 1 1 30 30 GLY N N 119 107.906 107.906 107.133 0.773 17780 3988 1 7 . 1 1 30 30 GLY CA C 119 45.089 45.089 45.076 0.013 17780 3989 1 7 . 1 1 30 30 GLY H H 119 8.271 8.271 8.444 -0.173 17780 3990 1 7 . 1 1 31 31 ALA N N 120 123.540 123.540 123.372 0.168 17780 3991 1 7 . 1 1 31 31 ALA HA H 120 4.339 4.339 4.586 -0.247 17780 3992 1 7 . 1 1 31 31 ALA CA C 120 52.282 52.282 52.627 -0.345 17780 3993 1 7 . 1 1 31 31 ALA CB C 120 19.432 19.432 19.384 0.047 17780 3994 1 7 . 1 1 31 31 ALA H H 120 8.039 8.039 7.819 0.220 17780 3995 1 7 . 1 1 32 32 VAL N N 121 119.579 119.579 113.554 6.025 17780 3996 1 7 . 1 1 32 32 VAL HA H 121 4.117 4.117 3.740 0.377 17780 3997 1 7 . 1 1 32 32 VAL CA C 121 62.142 62.142 63.370 -1.228 17780 3998 1 7 . 1 1 32 32 VAL CB C 121 32.673 32.673 29.984 2.689 17780 3999 1 7 . 1 1 32 32 VAL H H 121 8.109 8.109 8.513 -0.404 17780 4000 1 7 . 1 1 33 33 VAL N N 122 124.655 124.655 120.519 4.136 17780 4001 1 7 . 1 1 33 33 VAL HA H 122 4.081 4.081 3.920 0.161 17780 4002 1 7 . 1 1 33 33 VAL CA C 122 62.430 62.430 64.784 -2.354 17780 4003 1 7 . 1 1 33 33 VAL CB C 122 32.675 32.675 31.197 1.478 17780 4004 1 7 . 1 1 33 33 VAL H H 122 8.262 8.262 7.476 0.786 17780 4005 1 7 . 1 1 34 34 GLY N N 123 113.165 113.165 106.625 6.540 17780 4006 1 7 . 1 1 34 34 GLY CA C 123 45.264 45.264 45.463 -0.199 17780 4007 1 7 . 1 1 34 34 GLY H H 123 8.528 8.528 8.339 0.189 17780 4008 1 7 . 1 1 35 35 GLY N N 124 108.440 108.440 115.138 -6.698 17780 4009 1 7 . 1 1 35 35 GLY CA C 124 45.264 45.264 45.642 -0.379 17780 4010 1 7 . 1 1 35 35 GLY H H 124 8.245 8.245 8.152 0.093 17780 4011 1 7 . 1 1 36 36 LEU N N 125 121.679 121.679 121.533 0.146 17780 4012 1 7 . 1 1 36 36 LEU HA H 125 4.340 4.340 4.620 -0.280 17780 4013 1 7 . 1 1 36 36 LEU CA C 125 54.808 54.808 55.277 -0.469 17780 4014 1 7 . 1 1 36 36 LEU CB C 125 42.417 42.417 42.831 -0.414 17780 4015 1 7 . 1 1 36 36 LEU H H 125 8.233 8.233 7.673 0.560 17780 4016 1 7 . 1 1 37 37 GLY N N 126 109.818 109.818 105.133 4.685 17780 4017 1 7 . 1 1 37 37 GLY CA C 126 46.266 46.266 45.516 0.750 17780 4018 1 7 . 1 1 37 37 GLY H H 126 8.511 8.511 8.630 -0.119 17780 4019 1 7 . 1 1 38 38 GLY N N 127 109.485 109.485 106.980 2.505 17780 4020 1 7 . 1 1 38 38 GLY CA C 127 45.029 45.029 44.930 0.099 17780 4021 1 7 . 1 1 38 38 GLY H H 127 8.374 8.374 8.054 0.320 17780 4022 1 7 . 1 1 39 39 TYR N N 128 117.683 117.683 119.450 -1.767 17780 4023 1 7 . 1 1 39 39 TYR HA H 128 4.501 4.501 4.847 -0.346 17780 4024 1 7 . 1 1 39 39 TYR CA C 128 58.050 58.050 57.538 0.513 17780 4025 1 7 . 1 1 39 39 TYR CB C 128 40.362 40.362 39.688 0.674 17780 4026 1 7 . 1 1 39 39 TYR H H 128 7.746 7.746 8.021 -0.275 17780 4027 1 7 . 1 1 40 40 MET N N 129 120.902 120.902 118.745 2.157 17780 4028 1 7 . 1 1 40 40 MET HA H 129 4.534 4.534 4.335 0.199 17780 4029 1 7 . 1 1 40 40 MET CA C 129 53.516 53.516 53.372 0.144 17780 4030 1 7 . 1 1 40 40 MET CB C 129 34.851 34.851 37.011 -2.160 17780 4031 1 7 . 1 1 40 40 MET H H 129 9.005 9.005 8.666 0.339 17780 4032 1 7 . 1 1 41 41 LEU N N 130 121.514 121.514 116.892 4.622 17780 4033 1 7 . 1 1 41 41 LEU HA H 130 4.464 4.464 4.998 -0.534 17780 4034 1 7 . 1 1 41 41 LEU CA C 130 53.359 53.359 52.840 0.519 17780 4035 1 7 . 1 1 41 41 LEU CB C 130 43.482 43.482 45.791 -2.309 17780 4036 1 7 . 1 1 41 41 LEU H H 130 8.034 8.034 7.991 0.043 17780 4037 1 7 . 1 1 42 42 GLY N N 131 114.895 114.895 108.967 5.928 17780 4038 1 7 . 1 1 42 42 GLY CA C 131 44.698 44.698 45.316 -0.618 17780 4039 1 7 . 1 1 42 42 GLY H H 131 9.375 9.375 8.684 0.691 17780 4040 1 7 . 1 1 43 43 SER N N 132 113.692 113.692 117.559 -3.867 17780 4041 1 7 . 1 1 43 43 SER HA H 132 4.429 4.429 4.504 -0.075 17780 4042 1 7 . 1 1 43 43 SER CA C 132 58.191 58.191 58.121 0.070 17780 4043 1 7 . 1 1 43 43 SER CB C 132 63.938 63.938 63.760 0.179 17780 4044 1 7 . 1 1 43 43 SER H H 132 8.345 8.345 8.220 0.125 17780 4045 1 7 . 1 1 44 44 ALA N N 133 125.505 125.505 123.773 1.732 17780 4046 1 7 . 1 1 44 44 ALA HA H 133 4.437 4.437 4.577 -0.140 17780 4047 1 7 . 1 1 44 44 ALA CA C 133 52.936 52.936 51.911 1.025 17780 4048 1 7 . 1 1 44 44 ALA CB C 133 18.412 18.412 21.021 -2.609 17780 4049 1 7 . 1 1 44 44 ALA H H 133 8.735 8.735 8.201 0.534 17780 4050 1 7 . 1 1 45 45 MET N N 134 120.707 120.707 121.744 -1.037 17780 4051 1 7 . 1 1 45 45 MET HA H 134 4.756 4.756 4.932 -0.176 17780 4052 1 7 . 1 1 45 45 MET CA C 134 54.242 54.242 54.213 0.029 17780 4053 1 7 . 1 1 45 45 MET CB C 134 36.727 36.727 36.099 0.628 17780 4054 1 7 . 1 1 45 45 MET H H 134 8.686 8.686 8.460 0.226 17780 4055 1 7 . 1 1 46 46 SER N N 135 116.235 116.235 116.280 -0.045 17780 4056 1 7 . 1 1 46 46 SER HA H 135 4.375 4.375 4.535 -0.160 17780 4057 1 7 . 1 1 46 46 SER CA C 135 58.410 58.410 58.243 0.167 17780 4058 1 7 . 1 1 46 46 SER CB C 135 63.016 63.016 63.965 -0.949 17780 4059 1 7 . 1 1 46 46 SER H H 135 8.397 8.397 8.442 -0.045 17780 4060 1 7 . 1 1 47 47 ARG N N 136 126.632 126.632 124.313 2.319 17780 4061 1 7 . 1 1 47 47 ARG HA H 136 4.406 4.406 4.611 -0.205 17780 4062 1 7 . 1 1 47 47 ARG CA C 136 54.783 54.783 54.400 0.383 17780 4063 1 7 . 1 1 47 47 ARG CB C 136 29.040 29.040 29.957 -0.917 17780 4064 1 7 . 1 1 47 47 ARG H H 136 8.668 8.668 8.652 0.016 17780 4065 1 7 . 1 1 48 48 PRO HA H 137 4.422 4.422 4.579 -0.157 17780 4066 1 7 . 1 1 48 48 PRO CA C 137 62.327 62.327 62.706 -0.380 17780 4067 1 7 . 1 1 48 48 PRO CB C 137 32.269 32.269 32.971 -0.702 17780 4068 1 7 . 1 1 49 49 ILE N N 138 122.521 122.521 120.542 1.979 17780 4069 1 7 . 1 1 49 49 ILE HA H 138 4.148 4.148 4.021 0.127 17780 4070 1 7 . 1 1 49 49 ILE CA C 138 60.916 60.916 60.716 0.200 17780 4071 1 7 . 1 1 49 49 ILE CB C 138 36.234 36.234 38.531 -2.297 17780 4072 1 7 . 1 1 49 49 ILE H H 138 8.603 8.603 7.995 0.608 17780 4073 1 7 . 1 1 50 50 ILE N N 139 126.683 126.683 125.556 1.127 17780 4074 1 7 . 1 1 50 50 ILE HA H 139 3.927 3.927 3.799 0.128 17780 4075 1 7 . 1 1 50 50 ILE CA C 139 58.700 58.700 58.515 0.185 17780 4076 1 7 . 1 1 50 50 ILE CB C 139 39.345 39.345 41.203 -1.858 17780 4077 1 7 . 1 1 50 50 ILE H H 139 6.514 6.514 7.988 -1.474 17780 4078 1 7 . 1 1 51 51 HIS N N 140 121.997 121.997 121.853 0.144 17780 4079 1 7 . 1 1 51 51 HIS HA H 140 4.918 4.918 4.401 0.517 17780 4080 1 7 . 1 1 51 51 HIS CA C 140 54.065 54.065 55.421 -1.356 17780 4081 1 7 . 1 1 51 51 HIS CB C 140 29.466 29.466 28.163 1.303 17780 4082 1 7 . 1 1 51 51 HIS H H 140 8.203 8.203 7.438 0.765 17780 4083 1 7 . 1 1 52 52 PHE N N 141 124.334 124.334 124.392 -0.058 17780 4084 1 7 . 1 1 52 52 PHE HA H 141 4.348 4.348 4.534 -0.186 17780 4085 1 7 . 1 1 52 52 PHE CA C 141 59.251 59.251 58.764 0.487 17780 4086 1 7 . 1 1 52 52 PHE CB C 141 41.448 41.448 39.984 1.464 17780 4087 1 7 . 1 1 52 52 PHE H H 141 10.160 10.160 8.046 2.114 17780 4088 1 7 . 1 1 53 53 GLY N N 142 108.368 108.368 105.943 2.425 17780 4089 1 7 . 1 1 53 53 GLY CA C 142 45.516 45.516 45.276 0.240 17780 4090 1 7 . 1 1 53 53 GLY H H 142 8.984 8.984 7.910 1.074 17780 4091 1 7 . 1 1 54 54 SER N N 143 111.819 111.819 114.427 -2.608 17780 4092 1 7 . 1 1 54 54 SER HA H 143 4.810 4.810 4.589 0.221 17780 4093 1 7 . 1 1 54 54 SER CA C 143 56.498 56.498 57.194 -0.696 17780 4094 1 7 . 1 1 54 54 SER CB C 143 65.964 65.964 64.589 1.375 17780 4095 1 7 . 1 1 54 54 SER H H 143 7.334 7.334 7.746 -0.412 17780 4096 1 7 . 1 1 55 55 ASP N N 144 124.249 124.249 123.054 1.195 17780 4097 1 7 . 1 1 55 55 ASP HA H 144 4.500 4.500 4.754 -0.254 17780 4098 1 7 . 1 1 55 55 ASP CA C 144 57.493 57.493 56.870 0.623 17780 4099 1 7 . 1 1 55 55 ASP CB C 144 40.664 40.664 40.838 -0.174 17780 4100 1 7 . 1 1 55 55 ASP H H 144 9.014 9.014 8.666 0.348 17780 4101 1 7 . 1 1 56 56 TYR N N 145 118.991 118.991 115.816 3.175 17780 4102 1 7 . 1 1 56 56 TYR HA H 145 4.196 4.196 4.598 -0.402 17780 4103 1 7 . 1 1 56 56 TYR CA C 145 61.351 61.351 59.294 2.057 17780 4104 1 7 . 1 1 56 56 TYR CB C 145 38.075 38.075 37.343 0.732 17780 4105 1 7 . 1 1 56 56 TYR H H 145 8.551 8.551 7.564 0.987 17780 4106 1 7 . 1 1 57 57 GLU N N 146 119.217 119.217 120.590 -1.373 17780 4107 1 7 . 1 1 57 57 GLU HA H 146 3.563 3.563 4.477 -0.914 17780 4108 1 7 . 1 1 57 57 GLU CA C 146 59.921 59.921 59.520 0.401 17780 4109 1 7 . 1 1 57 57 GLU CB C 146 30.297 30.297 29.915 0.382 17780 4110 1 7 . 1 1 57 57 GLU H H 146 7.741 7.741 7.815 -0.074 17780 4111 1 7 . 1 1 58 58 ASP N N 147 119.565 119.565 118.594 0.971 17780 4112 1 7 . 1 1 58 58 ASP HA H 147 4.498 4.498 4.695 -0.197 17780 4113 1 7 . 1 1 58 58 ASP CA C 147 58.185 58.185 57.137 1.048 17780 4114 1 7 . 1 1 58 58 ASP CB C 147 40.598 40.598 40.557 0.041 17780 4115 1 7 . 1 1 58 58 ASP H H 147 8.139 8.139 7.970 0.169 17780 4116 1 7 . 1 1 59 59 ARG N N 148 120.296 120.296 118.588 1.708 17780 4117 1 7 . 1 1 59 59 ARG HA H 148 4.004 4.004 4.147 -0.143 17780 4118 1 7 . 1 1 59 59 ARG CA C 148 59.393 59.393 58.554 0.839 17780 4119 1 7 . 1 1 59 59 ARG CB C 148 29.910 29.910 29.852 0.058 17780 4120 1 7 . 1 1 59 59 ARG H H 148 8.181 8.181 7.692 0.489 17780 4121 1 7 . 1 1 60 60 TYR N N 149 121.152 121.152 122.299 -1.147 17780 4122 1 7 . 1 1 60 60 TYR HA H 149 3.819 3.819 4.477 -0.658 17780 4123 1 7 . 1 1 60 60 TYR CA C 149 62.195 62.195 59.220 2.975 17780 4124 1 7 . 1 1 60 60 TYR CB C 149 37.808 37.808 38.319 -0.511 17780 4125 1 7 . 1 1 60 60 TYR H H 149 8.333 8.333 7.631 0.702 17780 4126 1 7 . 1 1 61 61 TYR N N 150 120.365 120.365 121.025 -0.660 17780 4127 1 7 . 1 1 61 61 TYR HA H 150 4.122 4.122 3.426 0.696 17780 4128 1 7 . 1 1 61 61 TYR CA C 150 62.969 62.969 60.649 2.320 17780 4129 1 7 . 1 1 61 61 TYR CB C 150 38.207 38.207 37.864 0.343 17780 4130 1 7 . 1 1 61 61 TYR H H 150 8.942 8.942 8.187 0.755 17780 4131 1 7 . 1 1 62 62 ARG N N 151 117.982 117.982 116.227 1.755 17780 4132 1 7 . 1 1 62 62 ARG HA H 151 3.938 3.938 3.373 0.565 17780 4133 1 7 . 1 1 62 62 ARG CA C 151 59.940 59.940 58.353 1.587 17780 4134 1 7 . 1 1 62 62 ARG CB C 151 29.731 29.731 29.504 0.227 17780 4135 1 7 . 1 1 62 62 ARG H H 151 7.938 7.938 7.463 0.475 17780 4136 1 7 . 1 1 63 63 GLU N N 152 116.389 116.389 119.207 -2.818 17780 4137 1 7 . 1 1 63 63 GLU HA H 152 4.059 4.059 4.106 -0.047 17780 4138 1 7 . 1 1 63 63 GLU CA C 152 57.990 57.990 59.479 -1.489 17780 4139 1 7 . 1 1 63 63 GLU CB C 152 29.915 29.915 29.510 0.405 17780 4140 1 7 . 1 1 63 63 GLU H H 152 8.068 8.068 7.876 0.192 17780 4141 1 7 . 1 1 64 64 ASN N N 153 114.690 114.690 116.021 -1.331 17780 4142 1 7 . 1 1 64 64 ASN HA H 153 4.406 4.406 4.406 -0.000 17780 4143 1 7 . 1 1 64 64 ASN CA C 153 54.814 54.814 54.262 0.552 17780 4144 1 7 . 1 1 64 64 ASN CB C 153 41.178 41.178 37.801 3.377 17780 4145 1 7 . 1 1 64 64 ASN H H 153 7.525 7.525 7.448 0.077 17780 4146 1 7 . 1 1 65 65 MET N N 154 119.058 119.058 121.755 -2.697 17780 4147 1 7 . 1 1 65 65 MET HA H 154 3.417 3.417 3.600 -0.183 17780 4148 1 7 . 1 1 65 65 MET CA C 154 59.193 59.193 58.767 0.426 17780 4149 1 7 . 1 1 65 65 MET CB C 154 30.258 30.258 31.731 -1.473 17780 4150 1 7 . 1 1 65 65 MET H H 154 7.993 7.993 7.363 0.630 17780 4151 1 7 . 1 1 66 66 HIS N N 155 116.083 116.083 116.607 -0.524 17780 4152 1 7 . 1 1 66 66 HIS HA H 155 4.208 4.208 4.230 -0.022 17780 4153 1 7 . 1 1 66 66 HIS CA C 155 57.382 57.382 59.279 -1.897 17780 4154 1 7 . 1 1 66 66 HIS CB C 155 28.955 28.955 29.236 -0.281 17780 4155 1 7 . 1 1 66 66 HIS H H 155 7.988 7.988 7.543 0.445 17780 4156 1 7 . 1 1 67 67 ARG N N 156 118.993 118.993 117.281 1.712 17780 4157 1 7 . 1 1 67 67 ARG HA H 156 4.133 4.133 4.238 -0.105 17780 4158 1 7 . 1 1 67 67 ARG CA C 156 56.135 56.135 57.039 -0.904 17780 4159 1 7 . 1 1 67 67 ARG CB C 156 30.521 30.521 30.795 -0.274 17780 4160 1 7 . 1 1 67 67 ARG H H 156 7.488 7.488 7.563 -0.075 17780 4161 1 7 . 1 1 68 68 TYR N N 157 121.321 121.321 117.980 3.341 17780 4162 1 7 . 1 1 68 68 TYR HA H 157 4.991 4.991 4.779 0.212 17780 4163 1 7 . 1 1 68 68 TYR CA C 157 52.644 52.644 53.795 -1.151 17780 4164 1 7 . 1 1 68 68 TYR CB C 157 34.873 34.873 37.633 -2.760 17780 4165 1 7 . 1 1 68 68 TYR H H 157 7.433 7.433 7.319 0.114 17780 4166 1 7 . 1 1 69 69 PRO HA H 158 4.338 4.338 4.462 -0.124 17780 4167 1 7 . 1 1 69 69 PRO CA C 158 63.651 63.651 62.824 0.827 17780 4168 1 7 . 1 1 69 69 PRO CB C 158 32.005 32.005 33.167 -1.163 17780 4169 1 7 . 1 1 70 70 ASN N N 159 116.696 116.696 116.636 0.060 17780 4170 1 7 . 1 1 70 70 ASN HA H 159 4.690 4.690 4.701 -0.011 17780 4171 1 7 . 1 1 70 70 ASN CA C 159 51.997 51.997 53.180 -1.183 17780 4172 1 7 . 1 1 70 70 ASN CB C 159 38.375 38.375 39.586 -1.211 17780 4173 1 7 . 1 1 70 70 ASN H H 159 8.673 8.673 8.668 0.005 17780 4174 1 7 . 1 1 71 71 GLN N N 160 114.313 114.313 117.512 -3.199 17780 4175 1 7 . 1 1 71 71 GLN HA H 160 4.523 4.523 4.635 -0.112 17780 4176 1 7 . 1 1 71 71 GLN CA C 160 54.286 54.286 54.534 -0.248 17780 4177 1 7 . 1 1 71 71 GLN CB C 160 32.975 32.975 32.614 0.361 17780 4178 1 7 . 1 1 71 71 GLN H H 160 7.319 7.319 7.679 -0.360 17780 4179 1 7 . 1 1 72 72 VAL N N 161 112.569 112.569 115.171 -2.602 17780 4180 1 7 . 1 1 72 72 VAL HA H 161 4.927 4.927 4.576 0.351 17780 4181 1 7 . 1 1 72 72 VAL CA C 161 58.651 58.651 59.800 -1.149 17780 4182 1 7 . 1 1 72 72 VAL CB C 161 33.812 33.812 34.627 -0.815 17780 4183 1 7 . 1 1 72 72 VAL H H 161 8.477 8.477 8.188 0.289 17780 4184 1 7 . 1 1 73 73 TYR N N 162 121.525 121.525 123.212 -1.687 17780 4185 1 7 . 1 1 73 73 TYR HA H 162 5.507 5.507 5.353 0.154 17780 4186 1 7 . 1 1 73 73 TYR CA C 162 57.133 57.133 56.222 0.911 17780 4187 1 7 . 1 1 73 73 TYR CB C 162 41.970 41.970 42.125 -0.155 17780 4188 1 7 . 1 1 73 73 TYR H H 162 8.490 8.490 8.691 -0.201 17780 4189 1 7 . 1 1 74 74 TYR N N 163 111.081 111.081 118.589 -7.508 17780 4190 1 7 . 1 1 74 74 TYR HA H 163 4.758 4.758 5.193 -0.435 17780 4191 1 7 . 1 1 74 74 TYR CA C 163 55.367 55.367 56.827 -1.460 17780 4192 1 7 . 1 1 74 74 TYR CB C 163 40.401 40.401 39.908 0.493 17780 4193 1 7 . 1 1 74 74 TYR H H 163 8.593 8.593 8.547 0.046 17780 4194 1 7 . 1 1 76 76 PRO HA H 165 4.490 4.490 4.598 -0.108 17780 4195 1 7 . 1 1 76 76 PRO CA C 165 62.967 62.967 62.610 0.357 17780 4196 1 7 . 1 1 76 76 PRO CB C 165 32.372 32.372 32.199 0.173 17780 4197 1 7 . 1 1 77 77 MET N N 166 121.408 121.408 116.427 4.981 17780 4198 1 7 . 1 1 77 77 MET HA H 166 4.438 4.438 3.804 0.634 17780 4199 1 7 . 1 1 77 77 MET CA C 166 57.081 57.081 55.543 1.538 17780 4200 1 7 . 1 1 77 77 MET CB C 166 32.165 32.165 31.467 0.698 17780 4201 1 7 . 1 1 77 77 MET H H 166 9.013 9.013 8.227 0.786 17780 4202 1 7 . 1 1 78 78 ASP N N 167 119.933 119.933 118.782 1.151 17780 4203 1 7 . 1 1 78 78 ASP HA H 167 4.754 4.754 4.635 0.119 17780 4204 1 7 . 1 1 78 78 ASP CA C 167 52.485 52.485 55.075 -2.591 17780 4205 1 7 . 1 1 78 78 ASP CB C 167 38.802 38.802 41.047 -2.245 17780 4206 1 7 . 1 1 78 78 ASP H H 167 8.176 8.176 7.718 0.458 17780 4207 1 7 . 1 1 79 79 GLU N N 168 116.934 116.934 117.155 -0.221 17780 4208 1 7 . 1 1 79 79 GLU HA H 168 4.308 4.308 4.327 -0.019 17780 4209 1 7 . 1 1 79 79 GLU CA C 168 58.638 58.638 56.078 2.560 17780 4210 1 7 . 1 1 79 79 GLU CB C 168 29.185 29.185 28.761 0.424 17780 4211 1 7 . 1 1 79 79 GLU H H 168 8.332 8.332 8.359 -0.027 17780 4212 1 7 . 1 1 81 81 SER N N 170 116.603 116.603 111.924 4.679 17780 4213 1 7 . 1 1 81 81 SER HA H 170 4.374 4.374 3.977 0.397 17780 4214 1 7 . 1 1 81 81 SER CA C 170 58.475 58.475 59.038 -0.563 17780 4215 1 7 . 1 1 81 81 SER CB C 170 63.677 63.677 62.226 1.451 17780 4216 1 7 . 1 1 81 81 SER H H 170 8.560 8.560 8.318 0.242 17780 4217 1 7 . 1 1 83 83 GLN N N 172 120.404 120.404 118.929 1.475 17780 4218 1 7 . 1 1 83 83 GLN HA H 172 4.750 4.750 4.614 0.136 17780 4219 1 7 . 1 1 83 83 GLN CA C 172 59.899 59.899 54.865 5.034 17780 4220 1 7 . 1 1 83 83 GLN CB C 172 29.023 29.023 31.828 -2.805 17780 4221 1 7 . 1 1 83 83 GLN H H 172 8.635 8.635 7.605 1.030 17780 4222 1 7 . 1 1 84 84 ASN N N 173 116.470 116.470 122.984 -6.514 17780 4223 1 7 . 1 1 84 84 ASN HA H 173 4.237 4.237 4.504 -0.267 17780 4224 1 7 . 1 1 84 84 ASN CA C 173 56.470 56.470 55.502 0.968 17780 4225 1 7 . 1 1 84 84 ASN CB C 173 37.812 37.812 38.514 -0.702 17780 4226 1 7 . 1 1 84 84 ASN H H 173 8.352 8.352 9.007 -0.655 17780 4227 1 7 . 1 1 85 85 ASN N N 174 118.500 118.500 118.462 0.038 17780 4228 1 7 . 1 1 85 85 ASN HA H 174 4.534 4.534 4.634 -0.100 17780 4229 1 7 . 1 1 85 85 ASN CA C 174 55.905 55.905 55.057 0.848 17780 4230 1 7 . 1 1 85 85 ASN CB C 174 37.760 37.760 38.150 -0.390 17780 4231 1 7 . 1 1 85 85 ASN H H 174 8.602 8.602 8.475 0.127 17780 4232 1 7 . 1 1 86 86 PHE CB C 175 39.641 39.641 38.387 1.254 17780 4233 1 7 . 1 1 87 87 VAL N N 176 120.134 120.134 120.319 -0.185 17780 4234 1 7 . 1 1 87 87 VAL HA H 176 3.564 3.564 2.659 0.905 17780 4235 1 7 . 1 1 87 87 VAL CA C 176 67.737 67.737 65.291 2.446 17780 4236 1 7 . 1 1 87 87 VAL CB C 176 31.951 31.951 30.020 1.931 17780 4237 1 7 . 1 1 87 87 VAL H H 176 9.002 9.002 7.138 1.864 17780 4238 1 7 . 1 1 88 88 HIS N N 177 117.217 117.217 118.753 -1.536 17780 4239 1 7 . 1 1 88 88 HIS HA H 177 4.304 4.304 4.112 0.192 17780 4240 1 7 . 1 1 88 88 HIS CA C 177 59.781 59.781 60.354 -0.573 17780 4241 1 7 . 1 1 88 88 HIS CB C 177 28.264 28.264 29.420 -1.156 17780 4242 1 7 . 1 1 88 88 HIS H H 177 8.330 8.330 8.073 0.257 17780 4243 1 7 . 1 1 89 89 ASP N N 178 118.497 118.497 119.252 -0.755 17780 4244 1 7 . 1 1 89 89 ASP HA H 178 4.500 4.500 4.618 -0.118 17780 4245 1 7 . 1 1 89 89 ASP CA C 178 57.423 57.423 56.552 0.871 17780 4246 1 7 . 1 1 89 89 ASP CB C 178 41.792 41.792 41.211 0.581 17780 4247 1 7 . 1 1 89 89 ASP H H 178 7.696 7.696 7.908 -0.212 17780 4248 1 7 . 1 1 90 90 CYS N N 179 119.012 119.012 120.245 -1.233 17780 4249 1 7 . 1 1 90 90 CYS HA H 179 4.753 4.753 4.371 0.382 17780 4250 1 7 . 1 1 90 90 CYS CA C 179 58.466 58.466 62.464 -3.998 17780 4251 1 7 . 1 1 90 90 CYS CB C 179 40.758 40.758 25.751 15.007 17780 4252 1 7 . 1 1 90 90 CYS H H 179 8.037 8.037 7.497 0.540 17780 4253 1 7 . 1 1 91 91 VAL N N 180 125.063 125.063 120.334 4.729 17780 4254 1 7 . 1 1 91 91 VAL HA H 180 3.667 3.667 3.646 0.021 17780 4255 1 7 . 1 1 91 91 VAL CA C 180 66.293 66.293 66.868 -0.575 17780 4256 1 7 . 1 1 91 91 VAL CB C 180 32.028 32.028 32.005 0.023 17780 4257 1 7 . 1 1 91 91 VAL H H 180 9.212 9.212 8.535 0.677 17780 4258 1 7 . 1 1 92 92 ASN N N 181 116.153 116.153 119.122 -2.969 17780 4259 1 7 . 1 1 92 92 ASN HA H 181 4.311 4.311 4.470 -0.159 17780 4260 1 7 . 1 1 92 92 ASN CA C 181 56.622 56.622 56.314 0.308 17780 4261 1 7 . 1 1 92 92 ASN CB C 181 38.749 38.749 38.230 0.519 17780 4262 1 7 . 1 1 92 92 ASN H H 181 7.626 7.626 7.471 0.155 17780 4263 1 7 . 1 1 93 93 ILE N N 182 118.637 118.637 119.811 -1.174 17780 4264 1 7 . 1 1 93 93 ILE HA H 182 3.787 3.787 3.722 0.065 17780 4265 1 7 . 1 1 93 93 ILE CA C 182 62.078 62.078 64.025 -1.947 17780 4266 1 7 . 1 1 93 93 ILE CB C 182 36.535 36.535 36.452 0.083 17780 4267 1 7 . 1 1 93 93 ILE H H 182 8.610 8.610 8.614 -0.004 17780 4268 1 7 . 1 1 94 94 THR N N 183 118.229 118.229 117.503 0.726 17780 4269 1 7 . 1 1 94 94 THR HA H 183 4.097 4.097 4.003 0.094 17780 4270 1 7 . 1 1 94 94 THR CA C 183 68.834 68.834 67.131 1.703 17780 4271 1 7 . 1 1 94 94 THR CB C 183 68.258 68.258 68.763 -0.505 17780 4272 1 7 . 1 1 94 94 THR H H 183 8.140 8.140 8.006 0.134 17780 4273 1 7 . 1 1 95 95 ILE N N 184 120.906 120.906 121.270 -0.364 17780 4274 1 7 . 1 1 95 95 ILE HA H 184 3.666 3.666 3.914 -0.248 17780 4275 1 7 . 1 1 95 95 ILE CA C 184 66.259 66.259 63.098 3.161 17780 4276 1 7 . 1 1 95 95 ILE CB C 184 36.824 36.824 37.964 -1.140 17780 4277 1 7 . 1 1 95 95 ILE H H 184 8.450 8.450 7.687 0.763 17780 4278 1 7 . 1 1 96 96 LYS N N 185 123.208 123.208 121.418 1.790 17780 4279 1 7 . 1 1 96 96 LYS HA H 185 4.067 4.067 3.836 0.231 17780 4280 1 7 . 1 1 96 96 LYS CA C 185 59.987 59.987 60.226 -0.239 17780 4281 1 7 . 1 1 96 96 LYS CB C 185 32.119 32.119 32.162 -0.043 17780 4282 1 7 . 1 1 96 96 LYS H H 185 8.067 8.067 8.428 -0.361 17780 4283 1 7 . 1 1 97 97 GLN N N 186 116.879 116.879 117.704 -0.825 17780 4284 1 7 . 1 1 97 97 GLN HA H 186 4.059 4.059 3.986 0.073 17780 4285 1 7 . 1 1 97 97 GLN CA C 186 58.010 58.010 58.770 -0.760 17780 4286 1 7 . 1 1 97 97 GLN CB C 186 27.982 27.982 28.150 -0.168 17780 4287 1 7 . 1 1 97 97 GLN H H 186 8.493 8.493 8.356 0.137 17780 4288 1 7 . 1 1 98 98 HIS N N 187 119.676 119.676 121.480 -1.804 17780 4289 1 7 . 1 1 98 98 HIS HA H 187 4.579 4.579 4.418 0.161 17780 4290 1 7 . 1 1 98 98 HIS CA C 187 59.465 59.465 59.595 -0.130 17780 4291 1 7 . 1 1 98 98 HIS CB C 187 31.628 31.628 29.732 1.896 17780 4292 1 7 . 1 1 98 98 HIS H H 187 8.435 8.435 7.518 0.917 17780 4293 1 7 . 1 1 99 99 THR N N 188 114.500 114.500 115.139 -0.639 17780 4294 1 7 . 1 1 99 99 THR HA H 188 4.090 4.090 3.806 0.284 17780 4295 1 7 . 1 1 99 99 THR CA C 188 66.210 66.210 65.575 0.635 17780 4296 1 7 . 1 1 99 99 THR CB C 188 68.800 68.800 68.491 0.309 17780 4297 1 7 . 1 1 99 99 THR H H 188 8.440 8.440 8.406 0.034 17780 4298 1 7 . 1 1 100 100 VAL N N 189 122.934 122.934 120.000 2.934 17780 4299 1 7 . 1 1 100 100 VAL HA H 189 3.838 3.838 3.824 0.014 17780 4300 1 7 . 1 1 100 100 VAL CA C 189 65.832 65.832 65.487 0.345 17780 4301 1 7 . 1 1 100 100 VAL CB C 189 31.897 31.897 31.952 -0.055 17780 4302 1 7 . 1 1 100 100 VAL H H 189 8.057 8.057 7.691 0.366 17780 4303 1 7 . 1 1 101 101 THR N N 190 115.101 115.101 111.588 3.513 17780 4304 1 7 . 1 1 101 101 THR HA H 190 4.140 4.140 4.160 -0.020 17780 4305 1 7 . 1 1 101 101 THR CA C 190 64.907 64.907 65.949 -1.042 17780 4306 1 7 . 1 1 101 101 THR CB C 190 69.041 69.041 68.141 0.900 17780 4307 1 7 . 1 1 101 101 THR H H 190 8.131 8.131 7.410 0.721 17780 4308 1 7 . 1 1 102 102 THR N N 191 114.546 114.546 119.526 -4.980 17780 4309 1 7 . 1 1 102 102 THR HA H 191 4.092 4.092 3.821 0.271 17780 4310 1 7 . 1 1 102 102 THR CA C 191 64.801 64.801 67.427 -2.626 17780 4311 1 7 . 1 1 102 102 THR CB C 191 69.145 69.145 68.467 0.678 17780 4312 1 7 . 1 1 102 102 THR H H 191 8.011 8.011 8.000 0.011 17780 4313 1 7 . 1 1 103 103 THR N N 192 117.876 117.876 114.273 3.603 17780 4314 1 7 . 1 1 103 103 THR HA H 192 4.373 4.373 4.606 -0.233 17780 4315 1 7 . 1 1 103 103 THR CA C 192 64.935 64.935 65.465 -0.530 17780 4316 1 7 . 1 1 103 103 THR CB C 192 69.043 69.043 68.330 0.713 17780 4317 1 7 . 1 1 103 103 THR H H 192 8.224 8.224 7.584 0.640 17780 4318 1 7 . 1 1 104 104 THR N N 193 116.232 116.232 117.604 -1.372 17780 4319 1 7 . 1 1 104 104 THR HA H 193 4.204 4.204 4.105 0.099 17780 4320 1 7 . 1 1 104 104 THR CA C 193 64.311 64.311 65.343 -1.032 17780 4321 1 7 . 1 1 104 104 THR CB C 193 68.981 68.981 68.688 0.293 17780 4322 1 7 . 1 1 104 104 THR H H 193 7.805 7.805 7.607 0.198 17780 4323 1 7 . 1 1 105 105 LYS N N 194 119.843 119.843 118.698 1.145 17780 4324 1 7 . 1 1 105 105 LYS HA H 194 4.384 4.384 4.387 -0.003 17780 4325 1 7 . 1 1 105 105 LYS CA C 194 56.220 56.220 55.375 0.845 17780 4326 1 7 . 1 1 105 105 LYS CB C 194 32.527 32.527 32.437 0.090 17780 4327 1 7 . 1 1 105 105 LYS H H 194 7.504 7.504 7.675 -0.171 17780 4328 1 7 . 1 1 106 106 GLY N N 195 107.946 107.946 107.942 0.004 17780 4329 1 7 . 1 1 106 106 GLY CA C 195 45.431 45.431 45.157 0.274 17780 4330 1 7 . 1 1 106 106 GLY H H 195 7.924 7.924 7.630 0.294 17780 4331 1 7 . 1 1 107 107 GLU N N 196 120.063 120.063 120.019 0.044 17780 4332 1 7 . 1 1 107 107 GLU HA H 196 4.255 4.255 4.690 -0.435 17780 4333 1 7 . 1 1 107 107 GLU CA C 196 55.597 55.597 54.668 0.929 17780 4334 1 7 . 1 1 107 107 GLU CB C 196 31.073 31.073 32.755 -1.682 17780 4335 1 7 . 1 1 107 107 GLU H H 196 7.465 7.465 8.212 -0.747 17780 4336 1 7 . 1 1 108 108 ASN N N 197 119.350 119.350 118.880 0.470 17780 4337 1 7 . 1 1 108 108 ASN HA H 197 4.657 4.657 5.091 -0.434 17780 4338 1 7 . 1 1 108 108 ASN CA C 197 52.673 52.673 53.243 -0.570 17780 4339 1 7 . 1 1 108 108 ASN CB C 197 40.827 40.827 39.919 0.908 17780 4340 1 7 . 1 1 108 108 ASN H H 197 8.458 8.458 8.561 -0.103 17780 4341 1 7 . 1 1 109 109 PHE N N 198 121.688 121.688 120.442 1.246 17780 4342 1 7 . 1 1 109 109 PHE HA H 198 5.317 5.317 4.897 0.420 17780 4343 1 7 . 1 1 109 109 PHE CA C 198 56.571 56.571 56.651 -0.080 17780 4344 1 7 . 1 1 109 109 PHE CB C 198 40.093 40.093 42.748 -2.655 17780 4345 1 7 . 1 1 109 109 PHE H H 198 8.709 8.709 8.385 0.324 17780 4346 1 7 . 1 1 110 110 THR N N 199 115.904 115.904 115.565 0.339 17780 4347 1 7 . 1 1 110 110 THR HA H 199 4.624 4.624 4.698 -0.074 17780 4348 1 7 . 1 1 110 110 THR CA C 199 60.343 60.343 61.161 -0.818 17780 4349 1 7 . 1 1 110 110 THR CB C 199 72.033 72.033 70.746 1.287 17780 4350 1 7 . 1 1 110 110 THR H H 199 9.547 9.547 9.259 0.288 17780 4351 1 7 . 1 1 111 111 GLU N N 200 119.988 119.988 120.344 -0.356 17780 4352 1 7 . 1 1 111 111 GLU HA H 200 4.067 4.067 4.035 0.032 17780 4353 1 7 . 1 1 111 111 GLU CA C 200 60.027 60.027 59.743 0.284 17780 4354 1 7 . 1 1 111 111 GLU CB C 200 28.976 28.976 28.653 0.323 17780 4355 1 7 . 1 1 111 111 GLU H H 200 9.132 9.132 8.968 0.164 17780 4356 1 7 . 1 1 112 112 THR N N 201 116.221 116.221 115.931 0.290 17780 4357 1 7 . 1 1 112 112 THR HA H 201 3.796 3.796 4.155 -0.359 17780 4358 1 7 . 1 1 112 112 THR CA C 201 66.781 66.781 66.299 0.482 17780 4359 1 7 . 1 1 112 112 THR CB C 201 68.581 68.581 68.246 0.335 17780 4360 1 7 . 1 1 112 112 THR H H 201 7.934 7.934 8.200 -0.266 17780 4361 1 7 . 1 1 113 113 ASP N N 202 120.001 120.001 122.785 -2.784 17780 4362 1 7 . 1 1 113 113 ASP HA H 202 4.598 4.598 4.664 -0.066 17780 4363 1 7 . 1 1 113 113 ASP CA C 202 57.984 57.984 57.776 0.208 17780 4364 1 7 . 1 1 113 113 ASP CB C 202 41.756 41.756 40.743 1.013 17780 4365 1 7 . 1 1 113 113 ASP H H 202 7.503 7.503 8.086 -0.583 17780 4366 1 7 . 1 1 114 114 VAL N N 203 119.529 119.529 119.979 -0.450 17780 4367 1 7 . 1 1 114 114 VAL HA H 203 3.279 3.279 3.588 -0.309 17780 4368 1 7 . 1 1 114 114 VAL CA C 203 67.817 67.817 66.567 1.250 17780 4369 1 7 . 1 1 114 114 VAL CB C 203 31.528 31.528 31.563 -0.035 17780 4370 1 7 . 1 1 114 114 VAL H H 203 8.209 8.209 7.821 0.388 17780 4371 1 7 . 1 1 115 115 LYS N N 204 119.051 119.051 120.343 -1.292 17780 4372 1 7 . 1 1 115 115 LYS HA H 204 4.082 4.082 3.959 0.123 17780 4373 1 7 . 1 1 115 115 LYS CA C 204 59.268 59.268 59.680 -0.412 17780 4374 1 7 . 1 1 115 115 LYS CB C 204 31.979 31.979 32.630 -0.651 17780 4375 1 7 . 1 1 115 115 LYS H H 204 7.714 7.714 8.009 -0.295 17780 4376 1 7 . 1 1 116 116 MET N N 205 118.581 118.581 116.574 2.007 17780 4377 1 7 . 1 1 116 116 MET HA H 205 4.167 4.167 4.401 -0.234 17780 4378 1 7 . 1 1 116 116 MET CA C 205 59.984 59.984 58.675 1.308 17780 4379 1 7 . 1 1 116 116 MET CB C 205 32.933 32.933 33.084 -0.151 17780 4380 1 7 . 1 1 116 116 MET H H 205 8.182 8.182 8.235 -0.053 17780 4381 1 7 . 1 1 117 117 MET N N 206 118.259 118.259 117.279 0.980 17780 4382 1 7 . 1 1 117 117 MET HA H 206 3.561 3.561 4.050 -0.489 17780 4383 1 7 . 1 1 117 117 MET CA C 206 59.967 59.967 58.343 1.623 17780 4384 1 7 . 1 1 117 117 MET CB C 206 33.824 33.824 31.788 2.036 17780 4385 1 7 . 1 1 117 117 MET H H 206 8.691 8.691 7.673 1.018 17780 4386 1 7 . 1 1 118 118 GLU N N 207 118.878 118.878 119.941 -1.063 17780 4387 1 7 . 1 1 118 118 GLU HA H 207 3.658 3.658 3.929 -0.271 17780 4388 1 7 . 1 1 118 118 GLU CA C 207 60.702 60.702 59.140 1.562 17780 4389 1 7 . 1 1 118 118 GLU CB C 207 29.000 29.000 29.361 -0.361 17780 4390 1 7 . 1 1 118 118 GLU H H 207 8.544 8.544 8.044 0.500 17780 4391 1 7 . 1 1 119 119 ARG N N 208 116.694 116.694 118.010 -1.316 17780 4392 1 7 . 1 1 119 119 ARG HA H 208 4.228 4.228 4.031 0.197 17780 4393 1 7 . 1 1 119 119 ARG CA C 208 58.554 58.554 58.835 -0.281 17780 4394 1 7 . 1 1 119 119 ARG CB C 208 30.136 30.136 30.020 0.116 17780 4395 1 7 . 1 1 119 119 ARG H H 208 7.289 7.289 7.613 -0.324 17780 4396 1 7 . 1 1 120 120 VAL N N 209 119.035 119.035 115.566 3.469 17780 4397 1 7 . 1 1 120 120 VAL HA H 209 3.837 3.837 4.012 -0.175 17780 4398 1 7 . 1 1 120 120 VAL CA C 209 65.766 65.766 65.370 0.396 17780 4399 1 7 . 1 1 120 120 VAL CB C 209 32.213 32.213 32.038 0.175 17780 4400 1 7 . 1 1 120 120 VAL H H 209 8.279 8.279 7.374 0.905 17780 4401 1 7 . 1 1 121 121 VAL N N 210 121.668 121.668 117.079 4.589 17780 4402 1 7 . 1 1 121 121 VAL HA H 210 3.597 3.597 3.782 -0.185 17780 4403 1 7 . 1 1 121 121 VAL CA C 210 66.639 66.639 65.453 1.186 17780 4404 1 7 . 1 1 121 121 VAL CB C 210 31.097 31.097 30.735 0.362 17780 4405 1 7 . 1 1 121 121 VAL H H 210 9.183 9.183 7.484 1.699 17780 4406 1 7 . 1 1 122 122 GLU N N 211 120.770 120.770 120.431 0.339 17780 4407 1 7 . 1 1 122 122 GLU HA H 211 3.603 3.603 3.801 -0.199 17780 4408 1 7 . 1 1 122 122 GLU CA C 211 61.132 61.132 60.063 1.069 17780 4409 1 7 . 1 1 122 122 GLU CB C 211 29.153 29.153 28.944 0.209 17780 4410 1 7 . 1 1 122 122 GLU H H 211 8.041 8.041 7.673 0.368 17780 4411 1 7 . 1 1 123 123 GLN N N 212 114.580 114.580 117.378 -2.798 17780 4412 1 7 . 1 1 123 123 GLN HA H 212 3.662 3.662 4.100 -0.438 17780 4413 1 7 . 1 1 123 123 GLN CA C 212 58.509 58.509 57.872 0.637 17780 4414 1 7 . 1 1 123 123 GLN CB C 212 27.824 27.824 27.929 -0.105 17780 4415 1 7 . 1 1 123 123 GLN H H 212 7.096 7.096 8.042 -0.946 17780 4416 1 7 . 1 1 124 124 MET N N 213 119.748 119.748 120.735 -0.987 17780 4417 1 7 . 1 1 124 124 MET HA H 213 4.167 4.167 4.221 -0.054 17780 4418 1 7 . 1 1 124 124 MET CA C 213 59.928 59.928 59.090 0.838 17780 4419 1 7 . 1 1 124 124 MET CB C 213 34.529 34.529 32.653 1.876 17780 4420 1 7 . 1 1 124 124 MET H H 213 8.145 8.145 7.675 0.470 17780 4421 1 7 . 1 1 125 125 CYS N N 214 119.538 119.538 119.087 0.451 17780 4422 1 7 . 1 1 125 125 CYS HA H 214 4.427 4.427 4.224 0.203 17780 4423 1 7 . 1 1 125 125 CYS CA C 214 59.838 59.838 62.049 -2.211 17780 4424 1 7 . 1 1 125 125 CYS CB C 214 41.798 41.798 25.577 16.221 17780 4425 1 7 . 1 1 125 125 CYS H H 214 9.275 9.275 7.866 1.409 17780 4426 1 7 . 1 1 126 126 ILE N N 215 123.982 123.982 120.788 3.194 17780 4427 1 7 . 1 1 126 126 ILE HA H 215 3.579 3.579 3.851 -0.272 17780 4428 1 7 . 1 1 126 126 ILE CA C 215 66.649 66.649 65.651 0.998 17780 4429 1 7 . 1 1 126 126 ILE CB C 215 38.152 38.152 37.920 0.232 17780 4430 1 7 . 1 1 126 126 ILE H H 215 8.434 8.434 7.618 0.816 17780 4431 1 7 . 1 1 127 127 THR N N 216 118.728 118.728 116.383 2.345 17780 4432 1 7 . 1 1 127 127 THR HA H 216 3.835 3.835 3.962 -0.127 17780 4433 1 7 . 1 1 127 127 THR CA C 216 67.425 67.425 67.116 0.309 17780 4434 1 7 . 1 1 127 127 THR CB C 216 68.035 68.035 68.330 -0.295 17780 4435 1 7 . 1 1 127 127 THR H H 216 8.097 8.097 7.840 0.257 17780 4436 1 7 . 1 1 128 128 GLN N N 217 122.368 122.368 120.478 1.890 17780 4437 1 7 . 1 1 128 128 GLN HA H 217 3.662 3.662 4.140 -0.478 17780 4438 1 7 . 1 1 128 128 GLN CA C 217 58.462 58.462 58.506 -0.044 17780 4439 1 7 . 1 1 128 128 GLN CB C 217 28.075 28.075 28.416 -0.341 17780 4440 1 7 . 1 1 128 128 GLN H H 217 8.637 8.637 7.671 0.966 17780 4441 1 7 . 1 1 129 129 TYR N N 218 121.512 121.512 122.807 -1.295 17780 4442 1 7 . 1 1 129 129 TYR HA H 218 2.929 2.929 4.116 -1.187 17780 4443 1 7 . 1 1 129 129 TYR CA C 218 61.904 61.904 60.503 1.401 17780 4444 1 7 . 1 1 129 129 TYR CB C 218 37.075 37.075 38.315 -1.240 17780 4445 1 7 . 1 1 129 129 TYR H H 218 8.705 8.705 8.957 -0.252 17780 4446 1 7 . 1 1 130 130 LYS N N 219 120.801 120.801 116.994 3.807 17780 4447 1 7 . 1 1 130 130 LYS HA H 219 3.667 3.667 3.618 0.049 17780 4448 1 7 . 1 1 130 130 LYS CA C 219 60.001 60.001 57.878 2.123 17780 4449 1 7 . 1 1 130 130 LYS CB C 219 31.732 31.732 31.469 0.263 17780 4450 1 7 . 1 1 130 130 LYS H H 219 8.232 8.232 8.303 -0.071 17780 4451 1 7 . 1 1 131 131 ARG HA H 220 3.978 3.978 3.986 -0.008 17780 4452 1 7 . 1 1 131 131 ARG CA C 220 59.013 59.013 59.250 -0.237 17780 4453 1 7 . 1 1 131 131 ARG CB C 220 30.028 30.028 30.306 -0.278 17780 4454 1 7 . 1 1 132 132 GLU N N 221 119.690 119.690 118.143 1.547 17780 4455 1 7 . 1 1 132 132 GLU HA H 221 4.035 4.035 4.109 -0.074 17780 4456 1 7 . 1 1 132 132 GLU CA C 221 58.006 58.006 58.693 -0.687 17780 4457 1 7 . 1 1 132 132 GLU CB C 221 29.270 29.270 29.721 -0.451 17780 4458 1 7 . 1 1 132 132 GLU H H 221 8.521 8.521 8.445 0.076 17780 4459 1 7 . 1 1 133 133 SER N N 222 115.963 115.963 115.333 0.630 17780 4460 1 7 . 1 1 133 133 SER HA H 222 3.884 3.884 4.000 -0.116 17780 4461 1 7 . 1 1 133 133 SER CA C 222 61.500 61.500 61.994 -0.494 17780 4462 1 7 . 1 1 133 133 SER CB C 222 62.207 62.207 62.379 -0.172 17780 4463 1 7 . 1 1 133 133 SER H H 222 8.543 8.543 8.345 0.198 17780 4464 1 7 . 1 1 134 134 GLN N N 223 120.695 120.695 120.214 0.481 17780 4465 1 7 . 1 1 134 134 GLN HA H 223 4.152 4.152 3.716 0.436 17780 4466 1 7 . 1 1 134 134 GLN CA C 223 58.646 58.646 58.210 0.436 17780 4467 1 7 . 1 1 134 134 GLN CB C 223 28.299 28.299 28.380 -0.081 17780 4468 1 7 . 1 1 134 134 GLN H H 223 7.486 7.486 7.225 0.261 17780 4469 1 7 . 1 1 135 135 ALA N N 224 120.905 120.905 120.537 0.368 17780 4470 1 7 . 1 1 135 135 ALA HA H 224 4.169 4.169 4.140 0.029 17780 4471 1 7 . 1 1 135 135 ALA CA C 224 54.404 54.404 54.251 0.153 17780 4472 1 7 . 1 1 135 135 ALA CB C 224 18.233 18.233 18.479 -0.246 17780 4473 1 7 . 1 1 135 135 ALA H H 224 7.497 7.497 7.364 0.133 17780 4474 1 7 . 1 1 136 136 TYR N N 225 119.969 119.969 121.142 -1.173 17780 4475 1 7 . 1 1 136 136 TYR HA H 225 4.080 4.080 4.165 -0.085 17780 4476 1 7 . 1 1 136 136 TYR CA C 225 61.060 61.060 61.085 -0.025 17780 4477 1 7 . 1 1 136 136 TYR CB C 225 39.008 39.008 38.795 0.213 17780 4478 1 7 . 1 1 136 136 TYR H H 225 8.215 8.215 7.749 0.466 17780 4479 1 7 . 1 1 137 137 TYR N N 226 117.988 117.988 117.210 0.778 17780 4480 1 7 . 1 1 137 137 TYR HA H 226 4.319 4.319 4.068 0.251 17780 4481 1 7 . 1 1 137 137 TYR CA C 226 59.543 59.543 58.133 1.409 17780 4482 1 7 . 1 1 137 137 TYR CB C 226 37.769 37.769 36.621 1.148 17780 4483 1 7 . 1 1 137 137 TYR H H 226 8.022 8.022 8.504 -0.482 17780 4484 1 7 . 1 1 138 138 GLN N N 227 118.911 118.911 118.705 0.206 17780 4485 1 7 . 1 1 138 138 GLN HA H 227 4.189 4.189 4.128 0.061 17780 4486 1 7 . 1 1 138 138 GLN CA C 227 57.002 57.002 57.267 -0.265 17780 4487 1 7 . 1 1 138 138 GLN CB C 227 28.740 28.740 27.618 1.122 17780 4488 1 7 . 1 1 138 138 GLN H H 227 7.838 7.838 7.637 0.201 17780 4489 1 7 . 1 1 139 139 ARG N N 228 119.910 119.910 118.658 1.252 17780 4490 1 7 . 1 1 139 139 ARG HA H 228 4.207 4.207 4.227 -0.020 17780 4491 1 7 . 1 1 139 139 ARG CA C 228 57.338 57.338 56.702 0.636 17780 4492 1 7 . 1 1 139 139 ARG CB C 228 30.390 30.390 29.779 0.611 17780 4493 1 7 . 1 1 139 139 ARG H H 228 7.862 7.862 8.055 -0.193 17780 4494 1 7 . 1 1 140 140 GLY N N 229 108.627 108.627 107.021 1.606 17780 4495 1 7 . 1 1 140 140 GLY CA C 229 45.477 45.477 45.285 0.192 17780 4496 1 7 . 1 1 140 140 GLY H H 229 8.092 8.092 7.806 0.286 17780 4497 1 7 . 1 1 141 141 SER N N 230 115.141 115.141 114.461 0.680 17780 4498 1 7 . 1 1 141 141 SER HA H 230 4.330 4.330 4.706 -0.376 17780 4499 1 7 . 1 1 141 141 SER CA C 230 58.650 58.650 57.975 0.675 17780 4500 1 7 . 1 1 141 141 SER CB C 230 63.641 63.641 64.352 -0.711 17780 4501 1 7 . 1 1 141 141 SER H H 230 8.050 8.050 7.537 0.513 17780 4502 1 8 . 1 1 2 2 GLN N N 91 119.729 119.729 120.350 -0.621 17780 4503 1 8 . 1 1 2 2 GLN HA H 91 4.407 4.407 4.516 -0.109 17780 4504 1 8 . 1 1 2 2 GLN CA C 91 55.969 55.969 55.373 0.596 17780 4505 1 8 . 1 1 2 2 GLN CB C 91 29.576 29.576 30.122 -0.546 17780 4506 1 8 . 1 1 2 2 GLN H H 91 8.267 8.267 8.200 0.067 17780 4507 1 8 . 1 1 3 3 GLY N N 92 110.081 110.081 107.080 3.001 17780 4508 1 8 . 1 1 3 3 GLY CA C 92 45.115 45.115 44.737 0.378 17780 4509 1 8 . 1 1 3 3 GLY H H 92 8.515 8.515 8.964 -0.449 17780 4510 1 8 . 1 1 4 4 GLY N N 93 108.748 108.748 107.368 1.380 17780 4511 1 8 . 1 1 4 4 GLY CA C 93 45.228 45.228 45.398 -0.170 17780 4512 1 8 . 1 1 4 4 GLY H H 93 8.331 8.331 8.934 -0.603 17780 4513 1 8 . 1 1 5 5 GLY N N 94 108.857 108.857 107.575 1.282 17780 4514 1 8 . 1 1 5 5 GLY CA C 94 45.172 45.172 45.283 -0.112 17780 4515 1 8 . 1 1 5 5 GLY H H 94 8.362 8.362 8.938 -0.576 17780 4516 1 8 . 1 1 6 6 THR N N 95 113.538 113.538 111.955 1.583 17780 4517 1 8 . 1 1 6 6 THR HA H 95 4.282 4.282 4.433 -0.151 17780 4518 1 8 . 1 1 6 6 THR CA C 95 61.906 61.906 61.518 0.388 17780 4519 1 8 . 1 1 6 6 THR CB C 95 69.711 69.711 70.530 -0.819 17780 4520 1 8 . 1 1 6 6 THR H H 95 8.129 8.129 7.999 0.130 17780 4521 1 8 . 1 1 7 7 HIS N N 96 121.027 121.027 120.844 0.183 17780 4522 1 8 . 1 1 7 7 HIS HA H 96 4.713 4.713 4.736 -0.023 17780 4523 1 8 . 1 1 7 7 HIS CA C 96 55.169 55.169 56.693 -1.524 17780 4524 1 8 . 1 1 7 7 HIS CB C 96 29.575 29.575 30.434 -0.859 17780 4525 1 8 . 1 1 7 7 HIS H H 96 8.497 8.497 8.669 -0.172 17780 4526 1 8 . 1 1 8 8 SER N N 97 117.031 117.031 121.103 -4.072 17780 4527 1 8 . 1 1 8 8 SER HA H 97 4.405 4.405 4.192 0.213 17780 4528 1 8 . 1 1 8 8 SER CA C 97 58.379 58.379 58.172 0.207 17780 4529 1 8 . 1 1 8 8 SER CB C 97 63.535 63.535 63.871 -0.336 17780 4530 1 8 . 1 1 8 8 SER H H 97 8.275 8.275 8.509 -0.234 17780 4531 1 8 . 1 1 9 9 GLN N N 98 122.084 122.084 119.980 2.104 17780 4532 1 8 . 1 1 9 9 GLN HA H 98 4.279 4.279 4.483 -0.204 17780 4533 1 8 . 1 1 9 9 GLN CA C 98 55.970 55.970 55.532 0.438 17780 4534 1 8 . 1 1 9 9 GLN CB C 98 29.157 29.157 31.090 -1.933 17780 4535 1 8 . 1 1 9 9 GLN H H 98 8.462 8.462 7.731 0.731 17780 4536 1 8 . 1 1 10 10 TRP N N 99 121.630 121.630 125.127 -3.497 17780 4537 1 8 . 1 1 10 10 TRP HA H 99 4.676 4.676 4.910 -0.234 17780 4538 1 8 . 1 1 10 10 TRP CA C 99 57.046 57.046 56.992 0.054 17780 4539 1 8 . 1 1 10 10 TRP CB C 99 29.440 29.440 31.688 -2.248 17780 4540 1 8 . 1 1 10 10 TRP H H 99 8.086 8.086 8.403 -0.317 17780 4541 1 8 . 1 1 11 11 ASN N N 100 120.591 120.591 122.408 -1.817 17780 4542 1 8 . 1 1 11 11 ASN HA H 100 4.602 4.602 4.521 0.081 17780 4543 1 8 . 1 1 11 11 ASN CA C 100 52.675 52.675 51.764 0.911 17780 4544 1 8 . 1 1 11 11 ASN CB C 100 38.781 38.781 40.467 -1.686 17780 4545 1 8 . 1 1 11 11 ASN H H 100 8.095 8.095 7.550 0.545 17780 4546 1 8 . 1 1 12 12 LYS N N 101 122.656 122.656 118.227 4.429 17780 4547 1 8 . 1 1 12 12 LYS HA H 101 4.435 4.435 4.349 0.086 17780 4548 1 8 . 1 1 12 12 LYS CA C 101 54.139 54.139 53.951 0.188 17780 4549 1 8 . 1 1 12 12 LYS CB C 101 32.474 32.474 34.165 -1.691 17780 4550 1 8 . 1 1 12 12 LYS H H 101 7.985 7.985 8.224 -0.239 17780 4551 1 8 . 1 1 13 13 PRO HA H 102 4.425 4.425 4.459 -0.034 17780 4552 1 8 . 1 1 13 13 PRO CA C 102 63.065 63.065 63.611 -0.546 17780 4553 1 8 . 1 1 13 13 PRO CB C 102 32.056 32.056 32.528 -0.472 17780 4554 1 8 . 1 1 14 14 SER N N 103 116.881 116.881 113.933 2.948 17780 4555 1 8 . 1 1 14 14 SER HA H 103 4.430 4.430 4.787 -0.357 17780 4556 1 8 . 1 1 14 14 SER CA C 103 57.973 57.973 57.368 0.605 17780 4557 1 8 . 1 1 14 14 SER CB C 103 63.669 63.669 64.707 -1.038 17780 4558 1 8 . 1 1 14 14 SER H H 103 8.420 8.420 7.884 0.536 17780 4559 1 8 . 1 1 15 15 LYS N N 104 124.163 124.163 120.968 3.195 17780 4560 1 8 . 1 1 15 15 LYS HA H 104 4.620 4.620 4.837 -0.217 17780 4561 1 8 . 1 1 15 15 LYS CA C 104 54.160 54.160 54.189 -0.029 17780 4562 1 8 . 1 1 15 15 LYS CB C 104 32.606 32.606 34.074 -1.468 17780 4563 1 8 . 1 1 15 15 LYS H H 104 8.321 8.321 8.366 -0.045 17780 4564 1 8 . 1 1 16 16 PRO HA H 105 4.412 4.412 4.550 -0.138 17780 4565 1 8 . 1 1 16 16 PRO CA C 105 63.012 63.012 63.149 -0.137 17780 4566 1 8 . 1 1 16 16 PRO CB C 105 32.152 32.152 32.558 -0.406 17780 4567 1 8 . 1 1 17 17 LYS N N 106 122.072 122.072 120.662 1.410 17780 4568 1 8 . 1 1 17 17 LYS HA H 106 4.338 4.338 4.640 -0.302 17780 4569 1 8 . 1 1 17 17 LYS CA C 106 56.299 56.299 55.538 0.761 17780 4570 1 8 . 1 1 17 17 LYS CB C 106 32.928 32.928 35.641 -2.713 17780 4571 1 8 . 1 1 17 17 LYS H H 106 8.516 8.516 8.195 0.321 17780 4572 1 8 . 1 1 18 18 THR N N 107 115.252 115.252 114.838 0.414 17780 4573 1 8 . 1 1 18 18 THR HA H 107 4.323 4.323 4.549 -0.226 17780 4574 1 8 . 1 1 18 18 THR CA C 107 61.523 61.523 62.224 -0.701 17780 4575 1 8 . 1 1 18 18 THR CB C 107 69.778 69.778 69.074 0.704 17780 4576 1 8 . 1 1 18 18 THR H H 107 8.133 8.133 8.414 -0.281 17780 4577 1 8 . 1 1 19 19 ASN N N 108 121.344 121.344 122.454 -1.110 17780 4578 1 8 . 1 1 19 19 ASN HA H 108 4.712 4.712 4.856 -0.144 17780 4579 1 8 . 1 1 19 19 ASN CA C 108 53.019 53.019 52.873 0.146 17780 4580 1 8 . 1 1 19 19 ASN CB C 108 38.728 38.728 39.243 -0.515 17780 4581 1 8 . 1 1 19 19 ASN H H 108 8.537 8.537 8.759 -0.222 17780 4582 1 8 . 1 1 20 20 MET N N 109 121.309 121.309 120.932 0.377 17780 4583 1 8 . 1 1 20 20 MET HA H 109 4.437 4.437 4.505 -0.068 17780 4584 1 8 . 1 1 20 20 MET CA C 109 55.446 55.446 55.440 0.006 17780 4585 1 8 . 1 1 20 20 MET CB C 109 32.809 32.809 32.529 0.280 17780 4586 1 8 . 1 1 20 20 MET H H 109 8.346 8.346 7.776 0.570 17780 4587 1 8 . 1 1 21 21 LYS N N 110 122.292 122.292 123.973 -1.681 17780 4588 1 8 . 1 1 21 21 LYS HA H 110 4.237 4.237 4.595 -0.358 17780 4589 1 8 . 1 1 21 21 LYS CA C 110 56.394 56.394 56.042 0.352 17780 4590 1 8 . 1 1 21 21 LYS CB C 110 32.923 32.923 34.825 -1.902 17780 4591 1 8 . 1 1 21 21 LYS H H 110 8.300 8.300 8.701 -0.401 17780 4592 1 8 . 1 1 22 22 HIS N N 111 120.193 120.193 124.178 -3.985 17780 4593 1 8 . 1 1 22 22 HIS HA H 111 4.642 4.642 4.931 -0.289 17780 4594 1 8 . 1 1 22 22 HIS CA C 111 55.391 55.391 55.166 0.225 17780 4595 1 8 . 1 1 22 22 HIS CB C 111 29.501 29.501 31.733 -2.232 17780 4596 1 8 . 1 1 22 22 HIS H H 111 8.406 8.406 8.663 -0.257 17780 4597 1 8 . 1 1 23 23 MET N N 112 122.529 122.529 122.900 -0.371 17780 4598 1 8 . 1 1 23 23 MET HA H 112 4.464 4.464 4.869 -0.405 17780 4599 1 8 . 1 1 23 23 MET CA C 112 55.125 55.125 54.900 0.225 17780 4600 1 8 . 1 1 23 23 MET CB C 112 32.930 32.930 35.028 -2.098 17780 4601 1 8 . 1 1 23 23 MET H H 112 8.326 8.326 8.694 -0.368 17780 4602 1 8 . 1 1 24 24 ALA N N 113 125.642 125.642 124.751 0.891 17780 4603 1 8 . 1 1 24 24 ALA HA H 113 4.315 4.315 5.030 -0.715 17780 4604 1 8 . 1 1 24 24 ALA CA C 113 52.521 52.521 52.050 0.471 17780 4605 1 8 . 1 1 24 24 ALA CB C 113 19.181 19.181 21.245 -2.064 17780 4606 1 8 . 1 1 24 24 ALA H H 113 8.370 8.370 8.640 -0.270 17780 4607 1 8 . 1 1 25 25 GLY N N 114 108.473 108.473 107.436 1.037 17780 4608 1 8 . 1 1 25 25 GLY CA C 114 45.175 45.175 45.380 -0.205 17780 4609 1 8 . 1 1 25 25 GLY H H 114 8.373 8.373 8.285 0.088 17780 4610 1 8 . 1 1 26 26 ALA N N 115 123.872 123.872 122.869 1.003 17780 4611 1 8 . 1 1 26 26 ALA HA H 115 4.316 4.316 4.864 -0.548 17780 4612 1 8 . 1 1 26 26 ALA CA C 115 52.496 52.496 52.253 0.243 17780 4613 1 8 . 1 1 26 26 ALA CB C 115 19.181 19.181 20.521 -1.340 17780 4614 1 8 . 1 1 26 26 ALA H H 115 8.134 8.134 7.855 0.279 17780 4615 1 8 . 1 1 27 27 ALA N N 116 123.172 123.172 123.669 -0.497 17780 4616 1 8 . 1 1 27 27 ALA HA H 116 4.287 4.287 4.815 -0.528 17780 4617 1 8 . 1 1 27 27 ALA CA C 116 52.464 52.464 51.801 0.663 17780 4618 1 8 . 1 1 27 27 ALA CB C 116 19.180 19.180 20.296 -1.116 17780 4619 1 8 . 1 1 27 27 ALA H H 116 8.268 8.268 8.179 0.089 17780 4620 1 8 . 1 1 28 28 ALA N N 117 123.253 123.253 121.469 1.784 17780 4621 1 8 . 1 1 28 28 ALA HA H 117 4.277 4.277 4.393 -0.116 17780 4622 1 8 . 1 1 28 28 ALA CA C 117 52.383 52.383 51.545 0.838 17780 4623 1 8 . 1 1 28 28 ALA CB C 117 19.156 19.156 19.769 -0.613 17780 4624 1 8 . 1 1 28 28 ALA H H 117 8.169 8.169 8.655 -0.486 17780 4625 1 8 . 1 1 29 29 ALA N N 118 123.225 123.225 124.551 -1.326 17780 4626 1 8 . 1 1 29 29 ALA HA H 118 4.282 4.282 4.205 0.077 17780 4627 1 8 . 1 1 29 29 ALA CA C 118 52.469 52.469 52.429 0.040 17780 4628 1 8 . 1 1 29 29 ALA CB C 118 19.129 19.129 16.656 2.473 17780 4629 1 8 . 1 1 29 29 ALA H H 118 8.204 8.204 8.640 -0.436 17780 4630 1 8 . 1 1 30 30 GLY N N 119 107.906 107.906 108.960 -1.054 17780 4631 1 8 . 1 1 30 30 GLY CA C 119 45.089 45.089 44.829 0.260 17780 4632 1 8 . 1 1 30 30 GLY H H 119 8.271 8.271 8.260 0.011 17780 4633 1 8 . 1 1 31 31 ALA N N 120 123.540 123.540 123.904 -0.364 17780 4634 1 8 . 1 1 31 31 ALA HA H 120 4.339 4.339 4.448 -0.109 17780 4635 1 8 . 1 1 31 31 ALA CA C 120 52.282 52.282 52.615 -0.333 17780 4636 1 8 . 1 1 31 31 ALA CB C 120 19.432 19.432 19.721 -0.289 17780 4637 1 8 . 1 1 31 31 ALA H H 120 8.039 8.039 7.764 0.275 17780 4638 1 8 . 1 1 32 32 VAL N N 121 119.579 119.579 111.016 8.563 17780 4639 1 8 . 1 1 32 32 VAL HA H 121 4.117 4.117 3.780 0.337 17780 4640 1 8 . 1 1 32 32 VAL CA C 121 62.142 62.142 63.358 -1.216 17780 4641 1 8 . 1 1 32 32 VAL CB C 121 32.673 32.673 30.034 2.639 17780 4642 1 8 . 1 1 32 32 VAL H H 121 8.109 8.109 8.660 -0.551 17780 4643 1 8 . 1 1 33 33 VAL N N 122 124.655 124.655 121.025 3.630 17780 4644 1 8 . 1 1 33 33 VAL HA H 122 4.081 4.081 3.937 0.144 17780 4645 1 8 . 1 1 33 33 VAL CA C 122 62.430 62.430 64.727 -2.297 17780 4646 1 8 . 1 1 33 33 VAL CB C 122 32.675 32.675 31.236 1.439 17780 4647 1 8 . 1 1 33 33 VAL H H 122 8.262 8.262 7.275 0.987 17780 4648 1 8 . 1 1 34 34 GLY N N 123 113.165 113.165 115.685 -2.520 17780 4649 1 8 . 1 1 34 34 GLY CA C 123 45.264 45.264 44.823 0.441 17780 4650 1 8 . 1 1 34 34 GLY H H 123 8.528 8.528 8.923 -0.395 17780 4651 1 8 . 1 1 35 35 GLY N N 124 108.440 108.440 107.850 0.590 17780 4652 1 8 . 1 1 35 35 GLY CA C 124 45.264 45.264 45.526 -0.262 17780 4653 1 8 . 1 1 35 35 GLY H H 124 8.245 8.245 7.748 0.497 17780 4654 1 8 . 1 1 36 36 LEU N N 125 121.679 121.679 122.607 -0.928 17780 4655 1 8 . 1 1 36 36 LEU HA H 125 4.340 4.340 4.273 0.067 17780 4656 1 8 . 1 1 36 36 LEU CA C 125 54.808 54.808 55.662 -0.854 17780 4657 1 8 . 1 1 36 36 LEU CB C 125 42.417 42.417 41.855 0.562 17780 4658 1 8 . 1 1 36 36 LEU H H 125 8.233 8.233 8.029 0.204 17780 4659 1 8 . 1 1 37 37 GLY N N 126 109.818 109.818 106.582 3.236 17780 4660 1 8 . 1 1 37 37 GLY CA C 126 46.266 46.266 46.316 -0.050 17780 4661 1 8 . 1 1 37 37 GLY H H 126 8.511 8.511 8.856 -0.345 17780 4662 1 8 . 1 1 38 38 GLY N N 127 109.485 109.485 108.276 1.209 17780 4663 1 8 . 1 1 38 38 GLY CA C 127 45.029 45.029 45.029 -0.000 17780 4664 1 8 . 1 1 38 38 GLY H H 127 8.374 8.374 7.852 0.522 17780 4665 1 8 . 1 1 39 39 TYR N N 128 117.683 117.683 119.742 -2.059 17780 4666 1 8 . 1 1 39 39 TYR HA H 128 4.501 4.501 4.463 0.038 17780 4667 1 8 . 1 1 39 39 TYR CA C 128 58.050 58.050 57.841 0.209 17780 4668 1 8 . 1 1 39 39 TYR CB C 128 40.362 40.362 39.307 1.055 17780 4669 1 8 . 1 1 39 39 TYR H H 128 7.746 7.746 7.792 -0.046 17780 4670 1 8 . 1 1 40 40 MET N N 129 120.902 120.902 116.827 4.075 17780 4671 1 8 . 1 1 40 40 MET HA H 129 4.534 4.534 4.655 -0.121 17780 4672 1 8 . 1 1 40 40 MET CA C 129 53.516 53.516 53.535 -0.019 17780 4673 1 8 . 1 1 40 40 MET CB C 129 34.851 34.851 36.519 -1.668 17780 4674 1 8 . 1 1 40 40 MET H H 129 9.005 9.005 8.722 0.283 17780 4675 1 8 . 1 1 41 41 LEU N N 130 121.514 121.514 113.628 7.886 17780 4676 1 8 . 1 1 41 41 LEU HA H 130 4.464 4.464 5.120 -0.656 17780 4677 1 8 . 1 1 41 41 LEU CA C 130 53.359 53.359 52.656 0.703 17780 4678 1 8 . 1 1 41 41 LEU CB C 130 43.482 43.482 44.081 -0.599 17780 4679 1 8 . 1 1 41 41 LEU H H 130 8.034 8.034 8.129 -0.095 17780 4680 1 8 . 1 1 42 42 GLY N N 131 114.895 114.895 107.271 7.624 17780 4681 1 8 . 1 1 42 42 GLY CA C 131 44.698 44.698 44.570 0.128 17780 4682 1 8 . 1 1 42 42 GLY H H 131 9.375 9.375 8.747 0.628 17780 4683 1 8 . 1 1 43 43 SER N N 132 113.692 113.692 117.068 -3.376 17780 4684 1 8 . 1 1 43 43 SER HA H 132 4.429 4.429 4.403 0.026 17780 4685 1 8 . 1 1 43 43 SER CA C 132 58.191 58.191 58.882 -0.690 17780 4686 1 8 . 1 1 43 43 SER CB C 132 63.938 63.938 63.238 0.700 17780 4687 1 8 . 1 1 43 43 SER H H 132 8.345 8.345 8.320 0.025 17780 4688 1 8 . 1 1 44 44 ALA N N 133 125.505 125.505 123.662 1.843 17780 4689 1 8 . 1 1 44 44 ALA HA H 133 4.437 4.437 4.457 -0.020 17780 4690 1 8 . 1 1 44 44 ALA CA C 133 52.936 52.936 51.892 1.044 17780 4691 1 8 . 1 1 44 44 ALA CB C 133 18.412 18.412 21.463 -3.051 17780 4692 1 8 . 1 1 44 44 ALA H H 133 8.735 8.735 8.237 0.498 17780 4693 1 8 . 1 1 45 45 MET N N 134 120.707 120.707 121.551 -0.844 17780 4694 1 8 . 1 1 45 45 MET HA H 134 4.756 4.756 4.928 -0.172 17780 4695 1 8 . 1 1 45 45 MET CA C 134 54.242 54.242 54.636 -0.394 17780 4696 1 8 . 1 1 45 45 MET CB C 134 36.727 36.727 34.385 2.342 17780 4697 1 8 . 1 1 45 45 MET H H 134 8.686 8.686 8.751 -0.065 17780 4698 1 8 . 1 1 46 46 SER N N 135 116.235 116.235 116.425 -0.190 17780 4699 1 8 . 1 1 46 46 SER HA H 135 4.375 4.375 4.486 -0.111 17780 4700 1 8 . 1 1 46 46 SER CA C 135 58.410 58.410 58.398 0.012 17780 4701 1 8 . 1 1 46 46 SER CB C 135 63.016 63.016 64.022 -1.006 17780 4702 1 8 . 1 1 46 46 SER H H 135 8.397 8.397 8.368 0.029 17780 4703 1 8 . 1 1 47 47 ARG N N 136 126.632 126.632 121.280 5.352 17780 4704 1 8 . 1 1 47 47 ARG HA H 136 4.406 4.406 4.771 -0.365 17780 4705 1 8 . 1 1 47 47 ARG CA C 136 54.783 54.783 52.908 1.875 17780 4706 1 8 . 1 1 47 47 ARG CB C 136 29.040 29.040 29.673 -0.633 17780 4707 1 8 . 1 1 47 47 ARG H H 136 8.668 8.668 8.722 -0.054 17780 4708 1 8 . 1 1 48 48 PRO HA H 137 4.422 4.422 4.685 -0.263 17780 4709 1 8 . 1 1 48 48 PRO CA C 137 62.327 62.327 62.504 -0.177 17780 4710 1 8 . 1 1 48 48 PRO CB C 137 32.269 32.269 32.959 -0.690 17780 4711 1 8 . 1 1 49 49 ILE N N 138 122.521 122.521 120.209 2.312 17780 4712 1 8 . 1 1 49 49 ILE HA H 138 4.148 4.148 4.188 -0.040 17780 4713 1 8 . 1 1 49 49 ILE CA C 138 60.916 60.916 60.520 0.396 17780 4714 1 8 . 1 1 49 49 ILE CB C 138 36.234 36.234 39.433 -3.199 17780 4715 1 8 . 1 1 49 49 ILE H H 138 8.603 8.603 8.108 0.495 17780 4716 1 8 . 1 1 50 50 ILE N N 139 126.683 126.683 125.420 1.263 17780 4717 1 8 . 1 1 50 50 ILE HA H 139 3.927 3.927 3.804 0.123 17780 4718 1 8 . 1 1 50 50 ILE CA C 139 58.700 58.700 58.577 0.123 17780 4719 1 8 . 1 1 50 50 ILE CB C 139 39.345 39.345 41.077 -1.732 17780 4720 1 8 . 1 1 50 50 ILE H H 139 6.514 6.514 8.037 -1.523 17780 4721 1 8 . 1 1 51 51 HIS N N 140 121.997 121.997 122.029 -0.032 17780 4722 1 8 . 1 1 51 51 HIS HA H 140 4.918 4.918 4.755 0.163 17780 4723 1 8 . 1 1 51 51 HIS CA C 140 54.065 54.065 54.523 -0.458 17780 4724 1 8 . 1 1 51 51 HIS CB C 140 29.466 29.466 27.593 1.873 17780 4725 1 8 . 1 1 51 51 HIS H H 140 8.203 8.203 7.452 0.751 17780 4726 1 8 . 1 1 52 52 PHE N N 141 124.334 124.334 124.806 -0.472 17780 4727 1 8 . 1 1 52 52 PHE HA H 141 4.348 4.348 4.450 -0.102 17780 4728 1 8 . 1 1 52 52 PHE CA C 141 59.251 59.251 59.316 -0.065 17780 4729 1 8 . 1 1 52 52 PHE CB C 141 41.448 41.448 40.140 1.308 17780 4730 1 8 . 1 1 52 52 PHE H H 141 10.160 10.160 9.286 0.874 17780 4731 1 8 . 1 1 53 53 GLY N N 142 108.368 108.368 104.387 3.981 17780 4732 1 8 . 1 1 53 53 GLY CA C 142 45.516 45.516 46.031 -0.515 17780 4733 1 8 . 1 1 53 53 GLY H H 142 8.984 8.984 7.860 1.124 17780 4734 1 8 . 1 1 54 54 SER N N 143 111.819 111.819 114.380 -2.561 17780 4735 1 8 . 1 1 54 54 SER HA H 143 4.810 4.810 4.548 0.262 17780 4736 1 8 . 1 1 54 54 SER CA C 143 56.498 56.498 57.339 -0.841 17780 4737 1 8 . 1 1 54 54 SER CB C 143 65.964 65.964 64.758 1.206 17780 4738 1 8 . 1 1 54 54 SER H H 143 7.334 7.334 7.471 -0.137 17780 4739 1 8 . 1 1 55 55 ASP N N 144 124.249 124.249 122.910 1.339 17780 4740 1 8 . 1 1 55 55 ASP HA H 144 4.500 4.500 4.407 0.093 17780 4741 1 8 . 1 1 55 55 ASP CA C 144 57.493 57.493 57.325 0.168 17780 4742 1 8 . 1 1 55 55 ASP CB C 144 40.664 40.664 40.942 -0.278 17780 4743 1 8 . 1 1 55 55 ASP H H 144 9.014 9.014 8.600 0.414 17780 4744 1 8 . 1 1 56 56 TYR N N 145 118.991 118.991 114.728 4.263 17780 4745 1 8 . 1 1 56 56 TYR HA H 145 4.196 4.196 4.463 -0.267 17780 4746 1 8 . 1 1 56 56 TYR CA C 145 61.351 61.351 59.615 1.736 17780 4747 1 8 . 1 1 56 56 TYR CB C 145 38.075 38.075 37.420 0.655 17780 4748 1 8 . 1 1 56 56 TYR H H 145 8.551 8.551 7.687 0.864 17780 4749 1 8 . 1 1 57 57 GLU N N 146 119.217 119.217 120.320 -1.103 17780 4750 1 8 . 1 1 57 57 GLU HA H 146 3.563 3.563 4.471 -0.908 17780 4751 1 8 . 1 1 57 57 GLU CA C 146 59.921 59.921 59.274 0.647 17780 4752 1 8 . 1 1 57 57 GLU CB C 146 30.297 30.297 29.699 0.598 17780 4753 1 8 . 1 1 57 57 GLU H H 146 7.741 7.741 7.631 0.110 17780 4754 1 8 . 1 1 58 58 ASP N N 147 119.565 119.565 120.185 -0.620 17780 4755 1 8 . 1 1 58 58 ASP HA H 147 4.498 4.498 4.817 -0.319 17780 4756 1 8 . 1 1 58 58 ASP CA C 147 58.185 58.185 57.161 1.024 17780 4757 1 8 . 1 1 58 58 ASP CB C 147 40.598 40.598 40.751 -0.153 17780 4758 1 8 . 1 1 58 58 ASP H H 147 8.139 8.139 8.555 -0.416 17780 4759 1 8 . 1 1 59 59 ARG N N 148 120.296 120.296 119.110 1.186 17780 4760 1 8 . 1 1 59 59 ARG HA H 148 4.004 4.004 4.213 -0.209 17780 4761 1 8 . 1 1 59 59 ARG CA C 148 59.393 59.393 58.859 0.534 17780 4762 1 8 . 1 1 59 59 ARG CB C 148 29.910 29.910 29.930 -0.020 17780 4763 1 8 . 1 1 59 59 ARG H H 148 8.181 8.181 8.283 -0.102 17780 4764 1 8 . 1 1 60 60 TYR N N 149 121.152 121.152 123.240 -2.088 17780 4765 1 8 . 1 1 60 60 TYR HA H 149 3.819 3.819 4.483 -0.664 17780 4766 1 8 . 1 1 60 60 TYR CA C 149 62.195 62.195 59.323 2.872 17780 4767 1 8 . 1 1 60 60 TYR CB C 149 37.808 37.808 38.074 -0.266 17780 4768 1 8 . 1 1 60 60 TYR H H 149 8.333 8.333 7.699 0.634 17780 4769 1 8 . 1 1 61 61 TYR N N 150 120.365 120.365 120.700 -0.335 17780 4770 1 8 . 1 1 61 61 TYR HA H 150 4.122 4.122 3.427 0.695 17780 4771 1 8 . 1 1 61 61 TYR CA C 150 62.969 62.969 60.526 2.443 17780 4772 1 8 . 1 1 61 61 TYR CB C 150 38.207 38.207 37.732 0.475 17780 4773 1 8 . 1 1 61 61 TYR H H 150 8.942 8.942 8.154 0.788 17780 4774 1 8 . 1 1 62 62 ARG N N 151 117.982 117.982 116.610 1.372 17780 4775 1 8 . 1 1 62 62 ARG HA H 151 3.938 3.938 3.437 0.501 17780 4776 1 8 . 1 1 62 62 ARG CA C 151 59.940 59.940 58.339 1.601 17780 4777 1 8 . 1 1 62 62 ARG CB C 151 29.731 29.731 29.695 0.036 17780 4778 1 8 . 1 1 62 62 ARG H H 151 7.938 7.938 7.432 0.506 17780 4779 1 8 . 1 1 63 63 GLU N N 152 116.389 116.389 118.742 -2.353 17780 4780 1 8 . 1 1 63 63 GLU HA H 152 4.059 4.059 4.017 0.042 17780 4781 1 8 . 1 1 63 63 GLU CA C 152 57.990 57.990 59.125 -1.135 17780 4782 1 8 . 1 1 63 63 GLU CB C 152 29.915 29.915 29.510 0.405 17780 4783 1 8 . 1 1 63 63 GLU H H 152 8.068 8.068 7.925 0.143 17780 4784 1 8 . 1 1 64 64 ASN N N 153 114.690 114.690 115.736 -1.046 17780 4785 1 8 . 1 1 64 64 ASN HA H 153 4.406 4.406 4.257 0.149 17780 4786 1 8 . 1 1 64 64 ASN CA C 153 54.814 54.814 53.561 1.253 17780 4787 1 8 . 1 1 64 64 ASN CB C 153 41.178 41.178 38.001 3.177 17780 4788 1 8 . 1 1 64 64 ASN H H 153 7.525 7.525 7.345 0.180 17780 4789 1 8 . 1 1 65 65 MET N N 154 119.058 119.058 122.084 -3.026 17780 4790 1 8 . 1 1 65 65 MET HA H 154 3.417 3.417 3.665 -0.248 17780 4791 1 8 . 1 1 65 65 MET CA C 154 59.193 59.193 59.027 0.166 17780 4792 1 8 . 1 1 65 65 MET CB C 154 30.258 30.258 31.992 -1.734 17780 4793 1 8 . 1 1 65 65 MET H H 154 7.993 7.993 7.251 0.742 17780 4794 1 8 . 1 1 66 66 HIS N N 155 116.083 116.083 114.056 2.027 17780 4795 1 8 . 1 1 66 66 HIS HA H 155 4.208 4.208 4.365 -0.157 17780 4796 1 8 . 1 1 66 66 HIS CA C 155 57.382 57.382 57.603 -0.221 17780 4797 1 8 . 1 1 66 66 HIS CB C 155 28.955 28.955 29.096 -0.141 17780 4798 1 8 . 1 1 66 66 HIS H H 155 7.988 7.988 8.000 -0.012 17780 4799 1 8 . 1 1 67 67 ARG N N 156 118.993 118.993 117.728 1.265 17780 4800 1 8 . 1 1 67 67 ARG HA H 156 4.133 4.133 4.253 -0.120 17780 4801 1 8 . 1 1 67 67 ARG CA C 156 56.135 56.135 56.667 -0.532 17780 4802 1 8 . 1 1 67 67 ARG CB C 156 30.521 30.521 31.026 -0.505 17780 4803 1 8 . 1 1 67 67 ARG H H 156 7.488 7.488 7.215 0.273 17780 4804 1 8 . 1 1 68 68 TYR N N 157 121.321 121.321 118.668 2.653 17780 4805 1 8 . 1 1 68 68 TYR HA H 157 4.991 4.991 4.696 0.295 17780 4806 1 8 . 1 1 68 68 TYR CA C 157 52.644 52.644 53.749 -1.105 17780 4807 1 8 . 1 1 68 68 TYR CB C 157 34.873 34.873 38.202 -3.329 17780 4808 1 8 . 1 1 68 68 TYR H H 157 7.433 7.433 7.152 0.281 17780 4809 1 8 . 1 1 69 69 PRO HA H 158 4.338 4.338 4.394 -0.056 17780 4810 1 8 . 1 1 69 69 PRO CA C 158 63.651 63.651 62.311 1.340 17780 4811 1 8 . 1 1 69 69 PRO CB C 158 32.005 32.005 33.177 -1.172 17780 4812 1 8 . 1 1 70 70 ASN N N 159 116.696 116.696 117.481 -0.785 17780 4813 1 8 . 1 1 70 70 ASN HA H 159 4.690 4.690 4.624 0.066 17780 4814 1 8 . 1 1 70 70 ASN CA C 159 51.997 51.997 53.409 -1.412 17780 4815 1 8 . 1 1 70 70 ASN CB C 159 38.375 38.375 38.934 -0.559 17780 4816 1 8 . 1 1 70 70 ASN H H 159 8.673 8.673 8.495 0.178 17780 4817 1 8 . 1 1 71 71 GLN N N 160 114.313 114.313 117.361 -3.048 17780 4818 1 8 . 1 1 71 71 GLN HA H 160 4.523 4.523 4.639 -0.116 17780 4819 1 8 . 1 1 71 71 GLN CA C 160 54.286 54.286 54.290 -0.004 17780 4820 1 8 . 1 1 71 71 GLN CB C 160 32.975 32.975 32.548 0.426 17780 4821 1 8 . 1 1 71 71 GLN H H 160 7.319 7.319 7.505 -0.186 17780 4822 1 8 . 1 1 72 72 VAL N N 161 112.569 112.569 116.510 -3.941 17780 4823 1 8 . 1 1 72 72 VAL HA H 161 4.927 4.927 4.527 0.400 17780 4824 1 8 . 1 1 72 72 VAL CA C 161 58.651 58.651 60.187 -1.536 17780 4825 1 8 . 1 1 72 72 VAL CB C 161 33.812 33.812 33.880 -0.068 17780 4826 1 8 . 1 1 72 72 VAL H H 161 8.477 8.477 8.334 0.143 17780 4827 1 8 . 1 1 73 73 TYR N N 162 121.525 121.525 124.558 -3.033 17780 4828 1 8 . 1 1 73 73 TYR HA H 162 5.507 5.507 5.386 0.121 17780 4829 1 8 . 1 1 73 73 TYR CA C 162 57.133 57.133 56.074 1.059 17780 4830 1 8 . 1 1 73 73 TYR CB C 162 41.970 41.970 41.192 0.778 17780 4831 1 8 . 1 1 73 73 TYR H H 162 8.490 8.490 8.587 -0.097 17780 4832 1 8 . 1 1 74 74 TYR N N 163 111.081 111.081 120.801 -9.720 17780 4833 1 8 . 1 1 74 74 TYR HA H 163 4.758 4.758 5.252 -0.494 17780 4834 1 8 . 1 1 74 74 TYR CA C 163 55.367 55.367 56.403 -1.036 17780 4835 1 8 . 1 1 74 74 TYR CB C 163 40.401 40.401 40.482 -0.081 17780 4836 1 8 . 1 1 74 74 TYR H H 163 8.593 8.593 8.787 -0.194 17780 4837 1 8 . 1 1 76 76 PRO HA H 165 4.490 4.490 4.373 0.117 17780 4838 1 8 . 1 1 76 76 PRO CA C 165 62.967 62.967 63.436 -0.469 17780 4839 1 8 . 1 1 76 76 PRO CB C 165 32.372 32.372 32.668 -0.296 17780 4840 1 8 . 1 1 77 77 MET N N 166 121.408 121.408 117.691 3.717 17780 4841 1 8 . 1 1 77 77 MET HA H 166 4.438 4.438 4.140 0.298 17780 4842 1 8 . 1 1 77 77 MET CA C 166 57.081 57.081 54.558 2.523 17780 4843 1 8 . 1 1 77 77 MET CB C 166 32.165 32.165 31.560 0.605 17780 4844 1 8 . 1 1 77 77 MET H H 166 9.013 9.013 8.393 0.620 17780 4845 1 8 . 1 1 78 78 ASP N N 167 119.933 119.933 120.756 -0.823 17780 4846 1 8 . 1 1 78 78 ASP HA H 167 4.754 4.754 4.756 -0.002 17780 4847 1 8 . 1 1 78 78 ASP CA C 167 52.485 52.485 53.672 -1.187 17780 4848 1 8 . 1 1 78 78 ASP CB C 167 38.802 38.802 41.695 -2.893 17780 4849 1 8 . 1 1 78 78 ASP H H 167 8.176 8.176 8.043 0.133 17780 4850 1 8 . 1 1 79 79 GLU N N 168 116.934 116.934 119.589 -2.655 17780 4851 1 8 . 1 1 79 79 GLU HA H 168 4.308 4.308 4.217 0.091 17780 4852 1 8 . 1 1 79 79 GLU CA C 168 58.638 58.638 56.977 1.661 17780 4853 1 8 . 1 1 79 79 GLU CB C 168 29.185 29.185 28.110 1.075 17780 4854 1 8 . 1 1 79 79 GLU H H 168 8.332 8.332 8.762 -0.430 17780 4855 1 8 . 1 1 81 81 SER N N 170 116.603 116.603 116.575 0.028 17780 4856 1 8 . 1 1 81 81 SER HA H 170 4.374 4.374 3.758 0.616 17780 4857 1 8 . 1 1 81 81 SER CA C 170 58.475 58.475 58.495 -0.020 17780 4858 1 8 . 1 1 81 81 SER CB C 170 63.677 63.677 62.857 0.820 17780 4859 1 8 . 1 1 81 81 SER H H 170 8.560 8.560 7.408 1.152 17780 4860 1 8 . 1 1 83 83 GLN N N 172 120.404 120.404 124.943 -4.539 17780 4861 1 8 . 1 1 83 83 GLN HA H 172 4.750 4.750 4.547 0.203 17780 4862 1 8 . 1 1 83 83 GLN CA C 172 59.899 59.899 55.975 3.924 17780 4863 1 8 . 1 1 83 83 GLN CB C 172 29.023 29.023 30.109 -1.086 17780 4864 1 8 . 1 1 83 83 GLN H H 172 8.635 8.635 8.707 -0.072 17780 4865 1 8 . 1 1 84 84 ASN N N 173 116.470 116.470 121.285 -4.815 17780 4866 1 8 . 1 1 84 84 ASN HA H 173 4.237 4.237 4.097 0.140 17780 4867 1 8 . 1 1 84 84 ASN CA C 173 56.470 56.470 56.172 0.298 17780 4868 1 8 . 1 1 84 84 ASN CB C 173 37.812 37.812 38.479 -0.667 17780 4869 1 8 . 1 1 84 84 ASN H H 173 8.352 8.352 9.095 -0.743 17780 4870 1 8 . 1 1 85 85 ASN N N 174 118.500 118.500 118.443 0.057 17780 4871 1 8 . 1 1 85 85 ASN HA H 174 4.534 4.534 4.351 0.183 17780 4872 1 8 . 1 1 85 85 ASN CA C 174 55.905 55.905 55.118 0.787 17780 4873 1 8 . 1 1 85 85 ASN CB C 174 37.760 37.760 38.063 -0.303 17780 4874 1 8 . 1 1 85 85 ASN H H 174 8.602 8.602 8.158 0.444 17780 4875 1 8 . 1 1 86 86 PHE CB C 175 39.641 39.641 38.655 0.986 17780 4876 1 8 . 1 1 87 87 VAL N N 176 120.134 120.134 120.221 -0.087 17780 4877 1 8 . 1 1 87 87 VAL HA H 176 3.564 3.564 2.683 0.881 17780 4878 1 8 . 1 1 87 87 VAL CA C 176 67.737 67.737 65.405 2.332 17780 4879 1 8 . 1 1 87 87 VAL CB C 176 31.951 31.951 30.074 1.877 17780 4880 1 8 . 1 1 87 87 VAL H H 176 9.002 9.002 7.393 1.609 17780 4881 1 8 . 1 1 88 88 HIS N N 177 117.217 117.217 118.307 -1.090 17780 4882 1 8 . 1 1 88 88 HIS HA H 177 4.304 4.304 4.147 0.157 17780 4883 1 8 . 1 1 88 88 HIS CA C 177 59.781 59.781 59.511 0.270 17780 4884 1 8 . 1 1 88 88 HIS CB C 177 28.264 28.264 29.717 -1.453 17780 4885 1 8 . 1 1 88 88 HIS H H 177 8.330 8.330 7.949 0.381 17780 4886 1 8 . 1 1 89 89 ASP N N 178 118.497 118.497 119.489 -0.992 17780 4887 1 8 . 1 1 89 89 ASP HA H 178 4.500 4.500 4.599 -0.099 17780 4888 1 8 . 1 1 89 89 ASP CA C 178 57.423 57.423 56.434 0.989 17780 4889 1 8 . 1 1 89 89 ASP CB C 178 41.792 41.792 41.167 0.625 17780 4890 1 8 . 1 1 89 89 ASP H H 178 7.696 7.696 7.829 -0.133 17780 4891 1 8 . 1 1 90 90 CYS N N 179 119.012 119.012 120.548 -1.536 17780 4892 1 8 . 1 1 90 90 CYS HA H 179 4.753 4.753 4.285 0.468 17780 4893 1 8 . 1 1 90 90 CYS CA C 179 58.466 58.466 62.102 -3.636 17780 4894 1 8 . 1 1 90 90 CYS CB C 179 40.758 40.758 25.921 14.837 17780 4895 1 8 . 1 1 90 90 CYS H H 179 8.037 8.037 7.628 0.409 17780 4896 1 8 . 1 1 91 91 VAL N N 180 125.063 125.063 120.406 4.657 17780 4897 1 8 . 1 1 91 91 VAL HA H 180 3.667 3.667 3.556 0.111 17780 4898 1 8 . 1 1 91 91 VAL CA C 180 66.293 66.293 66.477 -0.184 17780 4899 1 8 . 1 1 91 91 VAL CB C 180 32.028 32.028 31.704 0.324 17780 4900 1 8 . 1 1 91 91 VAL H H 180 9.212 9.212 8.579 0.633 17780 4901 1 8 . 1 1 92 92 ASN N N 181 116.153 116.153 119.054 -2.901 17780 4902 1 8 . 1 1 92 92 ASN HA H 181 4.311 4.311 4.419 -0.108 17780 4903 1 8 . 1 1 92 92 ASN CA C 181 56.622 56.622 56.334 0.289 17780 4904 1 8 . 1 1 92 92 ASN CB C 181 38.749 38.749 38.148 0.601 17780 4905 1 8 . 1 1 92 92 ASN H H 181 7.626 7.626 7.530 0.096 17780 4906 1 8 . 1 1 93 93 ILE N N 182 118.637 118.637 120.088 -1.451 17780 4907 1 8 . 1 1 93 93 ILE HA H 182 3.787 3.787 3.753 0.034 17780 4908 1 8 . 1 1 93 93 ILE CA C 182 62.078 62.078 64.254 -2.176 17780 4909 1 8 . 1 1 93 93 ILE CB C 182 36.535 36.535 36.536 -0.001 17780 4910 1 8 . 1 1 93 93 ILE H H 182 8.610 8.610 8.690 -0.080 17780 4911 1 8 . 1 1 94 94 THR N N 183 118.229 118.229 117.660 0.569 17780 4912 1 8 . 1 1 94 94 THR HA H 183 4.097 4.097 4.064 0.033 17780 4913 1 8 . 1 1 94 94 THR CA C 183 68.834 68.834 67.464 1.370 17780 4914 1 8 . 1 1 94 94 THR CB C 183 68.258 68.258 68.602 -0.344 17780 4915 1 8 . 1 1 94 94 THR H H 183 8.140 8.140 8.218 -0.078 17780 4916 1 8 . 1 1 95 95 ILE N N 184 120.906 120.906 121.582 -0.676 17780 4917 1 8 . 1 1 95 95 ILE HA H 184 3.666 3.666 3.886 -0.220 17780 4918 1 8 . 1 1 95 95 ILE CA C 184 66.259 66.259 63.304 2.955 17780 4919 1 8 . 1 1 95 95 ILE CB C 184 36.824 36.824 37.889 -1.065 17780 4920 1 8 . 1 1 95 95 ILE H H 184 8.450 8.450 7.796 0.654 17780 4921 1 8 . 1 1 96 96 LYS N N 185 123.208 123.208 121.287 1.921 17780 4922 1 8 . 1 1 96 96 LYS HA H 185 4.067 4.067 3.843 0.224 17780 4923 1 8 . 1 1 96 96 LYS CA C 185 59.987 59.987 60.230 -0.243 17780 4924 1 8 . 1 1 96 96 LYS CB C 185 32.119 32.119 32.184 -0.065 17780 4925 1 8 . 1 1 96 96 LYS H H 185 8.067 8.067 8.383 -0.316 17780 4926 1 8 . 1 1 97 97 GLN N N 186 116.879 116.879 118.012 -1.133 17780 4927 1 8 . 1 1 97 97 GLN HA H 186 4.059 4.059 4.001 0.058 17780 4928 1 8 . 1 1 97 97 GLN CA C 186 58.010 58.010 58.745 -0.735 17780 4929 1 8 . 1 1 97 97 GLN CB C 186 27.982 27.982 28.192 -0.210 17780 4930 1 8 . 1 1 97 97 GLN H H 186 8.493 8.493 8.288 0.205 17780 4931 1 8 . 1 1 98 98 HIS N N 187 119.676 119.676 121.814 -2.138 17780 4932 1 8 . 1 1 98 98 HIS HA H 187 4.579 4.579 4.356 0.223 17780 4933 1 8 . 1 1 98 98 HIS CA C 187 59.465 59.465 59.617 -0.152 17780 4934 1 8 . 1 1 98 98 HIS CB C 187 31.628 31.628 29.697 1.931 17780 4935 1 8 . 1 1 98 98 HIS H H 187 8.435 8.435 7.706 0.729 17780 4936 1 8 . 1 1 99 99 THR N N 188 114.500 114.500 115.257 -0.757 17780 4937 1 8 . 1 1 99 99 THR HA H 188 4.090 4.090 3.753 0.337 17780 4938 1 8 . 1 1 99 99 THR CA C 188 66.210 66.210 66.019 0.191 17780 4939 1 8 . 1 1 99 99 THR CB C 188 68.800 68.800 68.433 0.367 17780 4940 1 8 . 1 1 99 99 THR H H 188 8.440 8.440 8.341 0.099 17780 4941 1 8 . 1 1 100 100 VAL N N 189 122.934 122.934 120.809 2.125 17780 4942 1 8 . 1 1 100 100 VAL HA H 189 3.838 3.838 3.794 0.044 17780 4943 1 8 . 1 1 100 100 VAL CA C 189 65.832 65.832 65.585 0.247 17780 4944 1 8 . 1 1 100 100 VAL CB C 189 31.897 31.897 31.669 0.228 17780 4945 1 8 . 1 1 100 100 VAL H H 189 8.057 8.057 7.969 0.088 17780 4946 1 8 . 1 1 101 101 THR N N 190 115.101 115.101 113.482 1.619 17780 4947 1 8 . 1 1 101 101 THR HA H 190 4.140 4.140 4.097 0.043 17780 4948 1 8 . 1 1 101 101 THR CA C 190 64.907 64.907 66.319 -1.411 17780 4949 1 8 . 1 1 101 101 THR CB C 190 69.041 69.041 68.243 0.798 17780 4950 1 8 . 1 1 101 101 THR H H 190 8.131 8.131 7.630 0.501 17780 4951 1 8 . 1 1 102 102 THR N N 191 114.546 114.546 119.059 -4.513 17780 4952 1 8 . 1 1 102 102 THR HA H 191 4.092 4.092 3.907 0.185 17780 4953 1 8 . 1 1 102 102 THR CA C 191 64.801 64.801 67.539 -2.738 17780 4954 1 8 . 1 1 102 102 THR CB C 191 69.145 69.145 68.138 1.007 17780 4955 1 8 . 1 1 102 102 THR H H 191 8.011 8.011 8.308 -0.297 17780 4956 1 8 . 1 1 103 103 THR N N 192 117.876 117.876 113.865 4.011 17780 4957 1 8 . 1 1 103 103 THR HA H 192 4.373 4.373 4.645 -0.272 17780 4958 1 8 . 1 1 103 103 THR CA C 192 64.935 64.935 65.575 -0.640 17780 4959 1 8 . 1 1 103 103 THR CB C 192 69.043 69.043 68.317 0.726 17780 4960 1 8 . 1 1 103 103 THR H H 192 8.224 8.224 7.766 0.458 17780 4961 1 8 . 1 1 104 104 THR N N 193 116.232 116.232 118.127 -1.895 17780 4962 1 8 . 1 1 104 104 THR HA H 193 4.204 4.204 4.131 0.073 17780 4963 1 8 . 1 1 104 104 THR CA C 193 64.311 64.311 65.400 -1.089 17780 4964 1 8 . 1 1 104 104 THR CB C 193 68.981 68.981 68.608 0.373 17780 4965 1 8 . 1 1 104 104 THR H H 193 7.805 7.805 7.553 0.252 17780 4966 1 8 . 1 1 105 105 LYS N N 194 119.843 119.843 118.580 1.263 17780 4967 1 8 . 1 1 105 105 LYS HA H 194 4.384 4.384 4.377 0.007 17780 4968 1 8 . 1 1 105 105 LYS CA C 194 56.220 56.220 55.520 0.700 17780 4969 1 8 . 1 1 105 105 LYS CB C 194 32.527 32.527 32.504 0.023 17780 4970 1 8 . 1 1 105 105 LYS H H 194 7.504 7.504 7.820 -0.316 17780 4971 1 8 . 1 1 106 106 GLY N N 195 107.946 107.946 107.828 0.118 17780 4972 1 8 . 1 1 106 106 GLY CA C 195 45.431 45.431 45.093 0.338 17780 4973 1 8 . 1 1 106 106 GLY H H 195 7.924 7.924 7.530 0.394 17780 4974 1 8 . 1 1 107 107 GLU N N 196 120.063 120.063 119.928 0.135 17780 4975 1 8 . 1 1 107 107 GLU HA H 196 4.255 4.255 4.717 -0.462 17780 4976 1 8 . 1 1 107 107 GLU CA C 196 55.597 55.597 54.564 1.033 17780 4977 1 8 . 1 1 107 107 GLU CB C 196 31.073 31.073 32.955 -1.882 17780 4978 1 8 . 1 1 107 107 GLU H H 196 7.465 7.465 8.292 -0.827 17780 4979 1 8 . 1 1 108 108 ASN N N 197 119.350 119.350 119.008 0.342 17780 4980 1 8 . 1 1 108 108 ASN HA H 197 4.657 4.657 5.076 -0.419 17780 4981 1 8 . 1 1 108 108 ASN CA C 197 52.673 52.673 53.336 -0.662 17780 4982 1 8 . 1 1 108 108 ASN CB C 197 40.827 40.827 39.928 0.899 17780 4983 1 8 . 1 1 108 108 ASN H H 197 8.458 8.458 8.587 -0.129 17780 4984 1 8 . 1 1 109 109 PHE N N 198 121.688 121.688 121.030 0.658 17780 4985 1 8 . 1 1 109 109 PHE HA H 198 5.317 5.317 4.796 0.521 17780 4986 1 8 . 1 1 109 109 PHE CA C 198 56.571 56.571 56.334 0.237 17780 4987 1 8 . 1 1 109 109 PHE CB C 198 40.093 40.093 42.540 -2.447 17780 4988 1 8 . 1 1 109 109 PHE H H 198 8.709 8.709 8.549 0.160 17780 4989 1 8 . 1 1 110 110 THR N N 199 115.904 115.904 115.852 0.052 17780 4990 1 8 . 1 1 110 110 THR HA H 199 4.624 4.624 4.571 0.053 17780 4991 1 8 . 1 1 110 110 THR CA C 199 60.343 60.343 61.302 -0.959 17780 4992 1 8 . 1 1 110 110 THR CB C 199 72.033 72.033 70.416 1.617 17780 4993 1 8 . 1 1 110 110 THR H H 199 9.547 9.547 8.678 0.869 17780 4994 1 8 . 1 1 111 111 GLU N N 200 119.988 119.988 120.597 -0.609 17780 4995 1 8 . 1 1 111 111 GLU HA H 200 4.067 4.067 4.038 0.029 17780 4996 1 8 . 1 1 111 111 GLU CA C 200 60.027 60.027 59.832 0.195 17780 4997 1 8 . 1 1 111 111 GLU CB C 200 28.976 28.976 28.691 0.285 17780 4998 1 8 . 1 1 111 111 GLU H H 200 9.132 9.132 9.019 0.113 17780 4999 1 8 . 1 1 112 112 THR N N 201 116.221 116.221 116.101 0.120 17780 5000 1 8 . 1 1 112 112 THR HA H 201 3.796 3.796 4.115 -0.319 17780 5001 1 8 . 1 1 112 112 THR CA C 201 66.781 66.781 66.341 0.439 17780 5002 1 8 . 1 1 112 112 THR CB C 201 68.581 68.581 68.143 0.438 17780 5003 1 8 . 1 1 112 112 THR H H 201 7.934 7.934 8.190 -0.256 17780 5004 1 8 . 1 1 113 113 ASP N N 202 120.001 120.001 122.855 -2.854 17780 5005 1 8 . 1 1 113 113 ASP HA H 202 4.598 4.598 4.597 0.001 17780 5006 1 8 . 1 1 113 113 ASP CA C 202 57.984 57.984 58.178 -0.194 17780 5007 1 8 . 1 1 113 113 ASP CB C 202 41.756 41.756 41.056 0.700 17780 5008 1 8 . 1 1 113 113 ASP H H 202 7.503 7.503 8.214 -0.711 17780 5009 1 8 . 1 1 114 114 VAL N N 203 119.529 119.529 119.344 0.185 17780 5010 1 8 . 1 1 114 114 VAL HA H 203 3.279 3.279 3.606 -0.327 17780 5011 1 8 . 1 1 114 114 VAL CA C 203 67.817 67.817 65.892 1.925 17780 5012 1 8 . 1 1 114 114 VAL CB C 203 31.528 31.528 31.209 0.319 17780 5013 1 8 . 1 1 114 114 VAL H H 203 8.209 8.209 7.753 0.456 17780 5014 1 8 . 1 1 115 115 LYS N N 204 119.051 119.051 120.719 -1.668 17780 5015 1 8 . 1 1 115 115 LYS HA H 204 4.082 4.082 4.302 -0.220 17780 5016 1 8 . 1 1 115 115 LYS CA C 204 59.268 59.268 59.458 -0.190 17780 5017 1 8 . 1 1 115 115 LYS CB C 204 31.979 31.979 32.724 -0.745 17780 5018 1 8 . 1 1 115 115 LYS H H 204 7.714 7.714 8.226 -0.512 17780 5019 1 8 . 1 1 116 116 MET N N 205 118.581 118.581 116.489 2.092 17780 5020 1 8 . 1 1 116 116 MET HA H 205 4.167 4.167 4.425 -0.258 17780 5021 1 8 . 1 1 116 116 MET CA C 205 59.984 59.984 58.896 1.088 17780 5022 1 8 . 1 1 116 116 MET CB C 205 32.933 32.933 32.940 -0.007 17780 5023 1 8 . 1 1 116 116 MET H H 205 8.182 8.182 8.270 -0.088 17780 5024 1 8 . 1 1 117 117 MET N N 206 118.259 118.259 117.666 0.593 17780 5025 1 8 . 1 1 117 117 MET HA H 206 3.561 3.561 4.070 -0.509 17780 5026 1 8 . 1 1 117 117 MET CA C 206 59.967 59.967 58.327 1.640 17780 5027 1 8 . 1 1 117 117 MET CB C 206 33.824 33.824 31.713 2.111 17780 5028 1 8 . 1 1 117 117 MET H H 206 8.691 8.691 7.695 0.996 17780 5029 1 8 . 1 1 118 118 GLU N N 207 118.878 118.878 120.166 -1.288 17780 5030 1 8 . 1 1 118 118 GLU HA H 207 3.658 3.658 3.881 -0.223 17780 5031 1 8 . 1 1 118 118 GLU CA C 207 60.702 60.702 59.538 1.164 17780 5032 1 8 . 1 1 118 118 GLU CB C 207 29.000 29.000 29.263 -0.263 17780 5033 1 8 . 1 1 118 118 GLU H H 207 8.544 8.544 8.057 0.487 17780 5034 1 8 . 1 1 119 119 ARG N N 208 116.694 116.694 117.809 -1.115 17780 5035 1 8 . 1 1 119 119 ARG HA H 208 4.228 4.228 4.000 0.228 17780 5036 1 8 . 1 1 119 119 ARG CA C 208 58.554 58.554 59.230 -0.676 17780 5037 1 8 . 1 1 119 119 ARG CB C 208 30.136 30.136 29.885 0.251 17780 5038 1 8 . 1 1 119 119 ARG H H 208 7.289 7.289 7.701 -0.412 17780 5039 1 8 . 1 1 120 120 VAL N N 209 119.035 119.035 116.098 2.937 17780 5040 1 8 . 1 1 120 120 VAL HA H 209 3.837 3.837 4.038 -0.201 17780 5041 1 8 . 1 1 120 120 VAL CA C 209 65.766 65.766 65.417 0.349 17780 5042 1 8 . 1 1 120 120 VAL CB C 209 32.213 32.213 31.473 0.740 17780 5043 1 8 . 1 1 120 120 VAL H H 209 8.279 8.279 7.339 0.940 17780 5044 1 8 . 1 1 121 121 VAL N N 210 121.668 121.668 116.880 4.788 17780 5045 1 8 . 1 1 121 121 VAL HA H 210 3.597 3.597 3.845 -0.248 17780 5046 1 8 . 1 1 121 121 VAL CA C 210 66.639 66.639 65.425 1.214 17780 5047 1 8 . 1 1 121 121 VAL CB C 210 31.097 31.097 30.416 0.680 17780 5048 1 8 . 1 1 121 121 VAL H H 210 9.183 9.183 7.673 1.510 17780 5049 1 8 . 1 1 122 122 GLU N N 211 120.770 120.770 120.908 -0.138 17780 5050 1 8 . 1 1 122 122 GLU HA H 211 3.603 3.603 3.866 -0.263 17780 5051 1 8 . 1 1 122 122 GLU CA C 211 61.132 61.132 60.112 1.020 17780 5052 1 8 . 1 1 122 122 GLU CB C 211 29.153 29.153 29.062 0.091 17780 5053 1 8 . 1 1 122 122 GLU H H 211 8.041 8.041 7.654 0.387 17780 5054 1 8 . 1 1 123 123 GLN N N 212 114.580 114.580 117.511 -2.931 17780 5055 1 8 . 1 1 123 123 GLN HA H 212 3.662 3.662 4.124 -0.462 17780 5056 1 8 . 1 1 123 123 GLN CA C 212 58.509 58.509 57.614 0.895 17780 5057 1 8 . 1 1 123 123 GLN CB C 212 27.824 27.824 28.291 -0.468 17780 5058 1 8 . 1 1 123 123 GLN H H 212 7.096 7.096 7.602 -0.506 17780 5059 1 8 . 1 1 124 124 MET N N 213 119.748 119.748 120.868 -1.120 17780 5060 1 8 . 1 1 124 124 MET HA H 213 4.167 4.167 4.215 -0.048 17780 5061 1 8 . 1 1 124 124 MET CA C 213 59.928 59.928 59.053 0.875 17780 5062 1 8 . 1 1 124 124 MET CB C 213 34.529 34.529 32.682 1.847 17780 5063 1 8 . 1 1 124 124 MET H H 213 8.145 8.145 8.037 0.108 17780 5064 1 8 . 1 1 125 125 CYS N N 214 119.538 119.538 119.216 0.322 17780 5065 1 8 . 1 1 125 125 CYS HA H 214 4.427 4.427 4.190 0.237 17780 5066 1 8 . 1 1 125 125 CYS CA C 214 59.838 59.838 62.195 -2.357 17780 5067 1 8 . 1 1 125 125 CYS CB C 214 41.798 41.798 25.633 16.165 17780 5068 1 8 . 1 1 125 125 CYS H H 214 9.275 9.275 8.182 1.093 17780 5069 1 8 . 1 1 126 126 ILE N N 215 123.982 123.982 121.036 2.946 17780 5070 1 8 . 1 1 126 126 ILE HA H 215 3.579 3.579 3.825 -0.246 17780 5071 1 8 . 1 1 126 126 ILE CA C 215 66.649 66.649 65.496 1.153 17780 5072 1 8 . 1 1 126 126 ILE CB C 215 38.152 38.152 37.929 0.223 17780 5073 1 8 . 1 1 126 126 ILE H H 215 8.434 8.434 7.809 0.625 17780 5074 1 8 . 1 1 127 127 THR N N 216 118.728 118.728 116.616 2.112 17780 5075 1 8 . 1 1 127 127 THR HA H 216 3.835 3.835 3.970 -0.135 17780 5076 1 8 . 1 1 127 127 THR CA C 216 67.425 67.425 67.195 0.230 17780 5077 1 8 . 1 1 127 127 THR CB C 216 68.035 68.035 68.317 -0.282 17780 5078 1 8 . 1 1 127 127 THR H H 216 8.097 8.097 8.146 -0.049 17780 5079 1 8 . 1 1 128 128 GLN N N 217 122.368 122.368 120.451 1.917 17780 5080 1 8 . 1 1 128 128 GLN HA H 217 3.662 3.662 4.141 -0.479 17780 5081 1 8 . 1 1 128 128 GLN CA C 217 58.462 58.462 58.364 0.098 17780 5082 1 8 . 1 1 128 128 GLN CB C 217 28.075 28.075 28.355 -0.280 17780 5083 1 8 . 1 1 128 128 GLN H H 217 8.637 8.637 7.629 1.008 17780 5084 1 8 . 1 1 129 129 TYR N N 218 121.512 121.512 122.762 -1.250 17780 5085 1 8 . 1 1 129 129 TYR HA H 218 2.929 2.929 4.015 -1.086 17780 5086 1 8 . 1 1 129 129 TYR CA C 218 61.904 61.904 61.758 0.145 17780 5087 1 8 . 1 1 129 129 TYR CB C 218 37.075 37.075 38.422 -1.347 17780 5088 1 8 . 1 1 129 129 TYR H H 218 8.705 8.705 9.070 -0.365 17780 5089 1 8 . 1 1 130 130 LYS N N 219 120.801 120.801 117.986 2.815 17780 5090 1 8 . 1 1 130 130 LYS HA H 219 3.667 3.667 3.891 -0.224 17780 5091 1 8 . 1 1 130 130 LYS CA C 219 60.001 60.001 57.383 2.618 17780 5092 1 8 . 1 1 130 130 LYS CB C 219 31.732 31.732 31.699 0.033 17780 5093 1 8 . 1 1 130 130 LYS H H 219 8.232 8.232 8.525 -0.293 17780 5094 1 8 . 1 1 131 131 ARG HA H 220 3.978 3.978 3.993 -0.015 17780 5095 1 8 . 1 1 131 131 ARG CA C 220 59.013 59.013 58.775 0.238 17780 5096 1 8 . 1 1 131 131 ARG CB C 220 30.028 30.028 29.987 0.041 17780 5097 1 8 . 1 1 132 132 GLU N N 221 119.690 119.690 118.087 1.603 17780 5098 1 8 . 1 1 132 132 GLU HA H 221 4.035 4.035 4.127 -0.092 17780 5099 1 8 . 1 1 132 132 GLU CA C 221 58.006 58.006 59.065 -1.059 17780 5100 1 8 . 1 1 132 132 GLU CB C 221 29.270 29.270 29.300 -0.030 17780 5101 1 8 . 1 1 132 132 GLU H H 221 8.521 8.521 8.466 0.055 17780 5102 1 8 . 1 1 133 133 SER N N 222 115.963 115.963 115.330 0.633 17780 5103 1 8 . 1 1 133 133 SER HA H 222 3.884 3.884 3.913 -0.029 17780 5104 1 8 . 1 1 133 133 SER CA C 222 61.500 61.500 61.416 0.084 17780 5105 1 8 . 1 1 133 133 SER CB C 222 62.207 62.207 61.814 0.393 17780 5106 1 8 . 1 1 133 133 SER H H 222 8.543 8.543 8.074 0.469 17780 5107 1 8 . 1 1 134 134 GLN N N 223 120.695 120.695 121.237 -0.542 17780 5108 1 8 . 1 1 134 134 GLN HA H 223 4.152 4.152 3.726 0.426 17780 5109 1 8 . 1 1 134 134 GLN CA C 223 58.646 58.646 58.373 0.273 17780 5110 1 8 . 1 1 134 134 GLN CB C 223 28.299 28.299 28.358 -0.059 17780 5111 1 8 . 1 1 134 134 GLN H H 223 7.486 7.486 7.374 0.112 17780 5112 1 8 . 1 1 135 135 ALA N N 224 120.905 120.905 120.881 0.024 17780 5113 1 8 . 1 1 135 135 ALA HA H 224 4.169 4.169 4.118 0.051 17780 5114 1 8 . 1 1 135 135 ALA CA C 224 54.404 54.404 54.334 0.070 17780 5115 1 8 . 1 1 135 135 ALA CB C 224 18.233 18.233 18.327 -0.094 17780 5116 1 8 . 1 1 135 135 ALA H H 224 7.497 7.497 7.358 0.139 17780 5117 1 8 . 1 1 136 136 TYR N N 225 119.969 119.969 121.192 -1.223 17780 5118 1 8 . 1 1 136 136 TYR HA H 225 4.080 4.080 4.141 -0.061 17780 5119 1 8 . 1 1 136 136 TYR CA C 225 61.060 61.060 60.668 0.392 17780 5120 1 8 . 1 1 136 136 TYR CB C 225 39.008 39.008 38.258 0.750 17780 5121 1 8 . 1 1 136 136 TYR H H 225 8.215 8.215 7.747 0.468 17780 5122 1 8 . 1 1 137 137 TYR N N 226 117.988 117.988 117.164 0.824 17780 5123 1 8 . 1 1 137 137 TYR HA H 226 4.319 4.319 3.852 0.467 17780 5124 1 8 . 1 1 137 137 TYR CA C 226 59.543 59.543 58.580 0.963 17780 5125 1 8 . 1 1 137 137 TYR CB C 226 37.769 37.769 36.659 1.110 17780 5126 1 8 . 1 1 137 137 TYR H H 226 8.022 8.022 8.281 -0.259 17780 5127 1 8 . 1 1 138 138 GLN N N 227 118.911 118.911 118.495 0.416 17780 5128 1 8 . 1 1 138 138 GLN HA H 227 4.189 4.189 4.200 -0.011 17780 5129 1 8 . 1 1 138 138 GLN CA C 227 57.002 57.002 56.826 0.176 17780 5130 1 8 . 1 1 138 138 GLN CB C 227 28.740 28.740 27.623 1.117 17780 5131 1 8 . 1 1 138 138 GLN H H 227 7.838 7.838 7.644 0.194 17780 5132 1 8 . 1 1 139 139 ARG N N 228 119.910 119.910 119.033 0.877 17780 5133 1 8 . 1 1 139 139 ARG HA H 228 4.207 4.207 4.212 -0.005 17780 5134 1 8 . 1 1 139 139 ARG CA C 228 57.338 57.338 57.109 0.229 17780 5135 1 8 . 1 1 139 139 ARG CB C 228 30.390 30.390 29.901 0.489 17780 5136 1 8 . 1 1 139 139 ARG H H 228 7.862 7.862 8.170 -0.308 17780 5137 1 8 . 1 1 140 140 GLY N N 229 108.627 108.627 105.846 2.781 17780 5138 1 8 . 1 1 140 140 GLY CA C 229 45.477 45.477 44.907 0.570 17780 5139 1 8 . 1 1 140 140 GLY H H 229 8.092 8.092 7.745 0.347 17780 5140 1 8 . 1 1 141 141 SER N N 230 115.141 115.141 116.545 -1.404 17780 5141 1 8 . 1 1 141 141 SER HA H 230 4.330 4.330 4.710 -0.380 17780 5142 1 8 . 1 1 141 141 SER CA C 230 58.650 58.650 58.205 0.445 17780 5143 1 8 . 1 1 141 141 SER CB C 230 63.641 63.641 64.531 -0.890 17780 5144 1 8 . 1 1 141 141 SER H H 230 8.050 8.050 7.465 0.585 17780 5145 1 9 . 1 1 2 2 GLN N N 91 119.729 119.729 119.787 -0.058 17780 5146 1 9 . 1 1 2 2 GLN HA H 91 4.407 4.407 4.446 -0.039 17780 5147 1 9 . 1 1 2 2 GLN CA C 91 55.969 55.969 55.478 0.491 17780 5148 1 9 . 1 1 2 2 GLN CB C 91 29.576 29.576 29.255 0.321 17780 5149 1 9 . 1 1 2 2 GLN H H 91 8.267 8.267 8.277 -0.010 17780 5150 1 9 . 1 1 3 3 GLY N N 92 110.081 110.081 109.636 0.445 17780 5151 1 9 . 1 1 3 3 GLY CA C 92 45.115 45.115 44.216 0.899 17780 5152 1 9 . 1 1 3 3 GLY H H 92 8.515 8.515 8.571 -0.056 17780 5153 1 9 . 1 1 4 4 GLY N N 93 108.748 108.748 106.216 2.532 17780 5154 1 9 . 1 1 4 4 GLY CA C 93 45.228 45.228 45.961 -0.733 17780 5155 1 9 . 1 1 4 4 GLY H H 93 8.331 8.331 10.487 -2.156 17780 5156 1 9 . 1 1 5 5 GLY N N 94 108.857 108.857 107.491 1.366 17780 5157 1 9 . 1 1 5 5 GLY CA C 94 45.172 45.172 46.628 -1.456 17780 5158 1 9 . 1 1 5 5 GLY H H 94 8.362 8.362 9.096 -0.734 17780 5159 1 9 . 1 1 6 6 THR N N 95 113.538 113.538 112.286 1.252 17780 5160 1 9 . 1 1 6 6 THR HA H 95 4.282 4.282 4.180 0.102 17780 5161 1 9 . 1 1 6 6 THR CA C 95 61.906 61.906 62.955 -1.048 17780 5162 1 9 . 1 1 6 6 THR CB C 95 69.711 69.711 69.123 0.588 17780 5163 1 9 . 1 1 6 6 THR H H 95 8.129 8.129 8.088 0.041 17780 5164 1 9 . 1 1 7 7 HIS N N 96 121.027 121.027 121.752 -0.725 17780 5165 1 9 . 1 1 7 7 HIS HA H 96 4.713 4.713 4.682 0.031 17780 5166 1 9 . 1 1 7 7 HIS CA C 96 55.169 55.169 56.090 -0.921 17780 5167 1 9 . 1 1 7 7 HIS CB C 96 29.575 29.575 30.110 -0.535 17780 5168 1 9 . 1 1 7 7 HIS H H 96 8.497 8.497 8.033 0.464 17780 5169 1 9 . 1 1 8 8 SER N N 97 117.031 117.031 120.345 -3.314 17780 5170 1 9 . 1 1 8 8 SER HA H 97 4.405 4.405 4.504 -0.099 17780 5171 1 9 . 1 1 8 8 SER CA C 97 58.379 58.379 57.444 0.935 17780 5172 1 9 . 1 1 8 8 SER CB C 97 63.535 63.535 64.195 -0.660 17780 5173 1 9 . 1 1 8 8 SER H H 97 8.275 8.275 8.335 -0.060 17780 5174 1 9 . 1 1 9 9 GLN N N 98 122.084 122.084 120.215 1.869 17780 5175 1 9 . 1 1 9 9 GLN HA H 98 4.279 4.279 4.246 0.033 17780 5176 1 9 . 1 1 9 9 GLN CA C 98 55.970 55.970 56.424 -0.454 17780 5177 1 9 . 1 1 9 9 GLN CB C 98 29.157 29.157 29.439 -0.282 17780 5178 1 9 . 1 1 9 9 GLN H H 98 8.462 8.462 7.108 1.354 17780 5179 1 9 . 1 1 10 10 TRP N N 99 121.630 121.630 125.705 -4.075 17780 5180 1 9 . 1 1 10 10 TRP HA H 99 4.676 4.676 4.831 -0.155 17780 5181 1 9 . 1 1 10 10 TRP CA C 99 57.046 57.046 56.502 0.544 17780 5182 1 9 . 1 1 10 10 TRP CB C 99 29.440 29.440 31.486 -2.046 17780 5183 1 9 . 1 1 10 10 TRP H H 99 8.086 8.086 8.157 -0.071 17780 5184 1 9 . 1 1 11 11 ASN N N 100 120.591 120.591 121.167 -0.576 17780 5185 1 9 . 1 1 11 11 ASN HA H 100 4.602 4.602 4.222 0.380 17780 5186 1 9 . 1 1 11 11 ASN CA C 100 52.675 52.675 51.635 1.040 17780 5187 1 9 . 1 1 11 11 ASN CB C 100 38.781 38.781 39.994 -1.213 17780 5188 1 9 . 1 1 11 11 ASN H H 100 8.095 8.095 7.854 0.241 17780 5189 1 9 . 1 1 12 12 LYS N N 101 122.656 122.656 123.221 -0.565 17780 5190 1 9 . 1 1 12 12 LYS HA H 101 4.435 4.435 4.330 0.105 17780 5191 1 9 . 1 1 12 12 LYS CA C 101 54.139 54.139 53.866 0.273 17780 5192 1 9 . 1 1 12 12 LYS CB C 101 32.474 32.474 31.457 1.017 17780 5193 1 9 . 1 1 12 12 LYS H H 101 7.985 7.985 7.904 0.081 17780 5194 1 9 . 1 1 13 13 PRO HA H 102 4.425 4.425 4.353 0.072 17780 5195 1 9 . 1 1 13 13 PRO CA C 102 63.065 63.065 64.120 -1.055 17780 5196 1 9 . 1 1 13 13 PRO CB C 102 32.056 32.056 32.072 -0.016 17780 5197 1 9 . 1 1 14 14 SER N N 103 116.881 116.881 112.716 4.165 17780 5198 1 9 . 1 1 14 14 SER HA H 103 4.430 4.430 4.924 -0.494 17780 5199 1 9 . 1 1 14 14 SER CA C 103 57.973 57.973 57.167 0.806 17780 5200 1 9 . 1 1 14 14 SER CB C 103 63.669 63.669 66.263 -2.594 17780 5201 1 9 . 1 1 14 14 SER H H 103 8.420 8.420 7.845 0.575 17780 5202 1 9 . 1 1 15 15 LYS N N 104 124.163 124.163 120.482 3.681 17780 5203 1 9 . 1 1 15 15 LYS HA H 104 4.620 4.620 4.758 -0.138 17780 5204 1 9 . 1 1 15 15 LYS CA C 104 54.160 54.160 54.236 -0.076 17780 5205 1 9 . 1 1 15 15 LYS CB C 104 32.606 32.606 34.154 -1.548 17780 5206 1 9 . 1 1 15 15 LYS H H 104 8.321 8.321 8.677 -0.356 17780 5207 1 9 . 1 1 16 16 PRO HA H 105 4.412 4.412 4.538 -0.126 17780 5208 1 9 . 1 1 16 16 PRO CA C 105 63.012 63.012 62.770 0.242 17780 5209 1 9 . 1 1 16 16 PRO CB C 105 32.152 32.152 32.506 -0.354 17780 5210 1 9 . 1 1 17 17 LYS N N 106 122.072 122.072 120.076 1.996 17780 5211 1 9 . 1 1 17 17 LYS HA H 106 4.338 4.338 4.658 -0.320 17780 5212 1 9 . 1 1 17 17 LYS CA C 106 56.299 56.299 55.566 0.733 17780 5213 1 9 . 1 1 17 17 LYS CB C 106 32.928 32.928 35.026 -2.098 17780 5214 1 9 . 1 1 17 17 LYS H H 106 8.516 8.516 8.191 0.325 17780 5215 1 9 . 1 1 18 18 THR N N 107 115.252 115.252 115.326 -0.074 17780 5216 1 9 . 1 1 18 18 THR HA H 107 4.323 4.323 4.440 -0.117 17780 5217 1 9 . 1 1 18 18 THR CA C 107 61.523 61.523 61.586 -0.063 17780 5218 1 9 . 1 1 18 18 THR CB C 107 69.778 69.778 69.300 0.478 17780 5219 1 9 . 1 1 18 18 THR H H 107 8.133 8.133 8.314 -0.181 17780 5220 1 9 . 1 1 19 19 ASN N N 108 121.344 121.344 125.453 -4.109 17780 5221 1 9 . 1 1 19 19 ASN HA H 108 4.712 4.712 4.928 -0.216 17780 5222 1 9 . 1 1 19 19 ASN CA C 108 53.019 53.019 52.996 0.023 17780 5223 1 9 . 1 1 19 19 ASN CB C 108 38.728 38.728 39.132 -0.404 17780 5224 1 9 . 1 1 19 19 ASN H H 108 8.537 8.537 8.661 -0.124 17780 5225 1 9 . 1 1 20 20 MET N N 109 121.309 121.309 118.898 2.411 17780 5226 1 9 . 1 1 20 20 MET HA H 109 4.437 4.437 4.741 -0.304 17780 5227 1 9 . 1 1 20 20 MET CA C 109 55.446 55.446 54.992 0.454 17780 5228 1 9 . 1 1 20 20 MET CB C 109 32.809 32.809 34.235 -1.426 17780 5229 1 9 . 1 1 20 20 MET H H 109 8.346 8.346 8.469 -0.123 17780 5230 1 9 . 1 1 21 21 LYS N N 110 122.292 122.292 121.243 1.049 17780 5231 1 9 . 1 1 21 21 LYS HA H 110 4.237 4.237 4.743 -0.506 17780 5232 1 9 . 1 1 21 21 LYS CA C 110 56.394 56.394 55.698 0.696 17780 5233 1 9 . 1 1 21 21 LYS CB C 110 32.923 32.923 35.366 -2.443 17780 5234 1 9 . 1 1 21 21 LYS H H 110 8.300 8.300 9.007 -0.707 17780 5235 1 9 . 1 1 22 22 HIS N N 111 120.193 120.193 122.154 -1.961 17780 5236 1 9 . 1 1 22 22 HIS HA H 111 4.642 4.642 5.134 -0.492 17780 5237 1 9 . 1 1 22 22 HIS CA C 111 55.391 55.391 54.780 0.611 17780 5238 1 9 . 1 1 22 22 HIS CB C 111 29.501 29.501 32.387 -2.886 17780 5239 1 9 . 1 1 22 22 HIS H H 111 8.406 8.406 8.636 -0.230 17780 5240 1 9 . 1 1 23 23 MET N N 112 122.529 122.529 119.659 2.870 17780 5241 1 9 . 1 1 23 23 MET HA H 112 4.464 4.464 5.374 -0.910 17780 5242 1 9 . 1 1 23 23 MET CA C 112 55.125 55.125 54.478 0.647 17780 5243 1 9 . 1 1 23 23 MET CB C 112 32.930 32.930 36.439 -3.509 17780 5244 1 9 . 1 1 23 23 MET H H 112 8.326 8.326 8.912 -0.586 17780 5245 1 9 . 1 1 24 24 ALA N N 113 125.642 125.642 122.662 2.980 17780 5246 1 9 . 1 1 24 24 ALA HA H 113 4.315 4.315 5.350 -1.035 17780 5247 1 9 . 1 1 24 24 ALA CA C 113 52.521 52.521 51.694 0.827 17780 5248 1 9 . 1 1 24 24 ALA CB C 113 19.181 19.181 21.206 -2.025 17780 5249 1 9 . 1 1 24 24 ALA H H 113 8.370 8.370 9.361 -0.991 17780 5250 1 9 . 1 1 25 25 GLY N N 114 108.473 108.473 107.385 1.088 17780 5251 1 9 . 1 1 25 25 GLY CA C 114 45.175 45.175 45.593 -0.418 17780 5252 1 9 . 1 1 25 25 GLY H H 114 8.373 8.373 10.001 -1.628 17780 5253 1 9 . 1 1 26 26 ALA N N 115 123.872 123.872 122.635 1.237 17780 5254 1 9 . 1 1 26 26 ALA HA H 115 4.316 4.316 5.404 -1.088 17780 5255 1 9 . 1 1 26 26 ALA CA C 115 52.496 52.496 52.084 0.412 17780 5256 1 9 . 1 1 26 26 ALA CB C 115 19.181 19.181 20.497 -1.317 17780 5257 1 9 . 1 1 26 26 ALA H H 115 8.134 8.134 10.383 -2.249 17780 5258 1 9 . 1 1 27 27 ALA N N 116 123.172 123.172 122.485 0.687 17780 5259 1 9 . 1 1 27 27 ALA HA H 116 4.287 4.287 4.490 -0.203 17780 5260 1 9 . 1 1 27 27 ALA CA C 116 52.464 52.464 51.596 0.868 17780 5261 1 9 . 1 1 27 27 ALA CB C 116 19.180 19.180 20.374 -1.194 17780 5262 1 9 . 1 1 27 27 ALA H H 116 8.268 8.268 8.193 0.075 17780 5263 1 9 . 1 1 28 28 ALA N N 117 123.253 123.253 122.395 0.858 17780 5264 1 9 . 1 1 28 28 ALA HA H 117 4.277 4.277 4.634 -0.357 17780 5265 1 9 . 1 1 28 28 ALA CA C 117 52.383 52.383 51.558 0.825 17780 5266 1 9 . 1 1 28 28 ALA CB C 117 19.156 19.156 19.843 -0.687 17780 5267 1 9 . 1 1 28 28 ALA H H 117 8.169 8.169 8.302 -0.133 17780 5268 1 9 . 1 1 29 29 ALA N N 118 123.225 123.225 124.258 -1.033 17780 5269 1 9 . 1 1 29 29 ALA HA H 118 4.282 4.282 4.534 -0.252 17780 5270 1 9 . 1 1 29 29 ALA CA C 118 52.469 52.469 51.384 1.085 17780 5271 1 9 . 1 1 29 29 ALA CB C 118 19.129 19.129 18.545 0.584 17780 5272 1 9 . 1 1 29 29 ALA H H 118 8.204 8.204 8.603 -0.399 17780 5273 1 9 . 1 1 30 30 GLY N N 119 107.906 107.906 113.905 -5.999 17780 5274 1 9 . 1 1 30 30 GLY CA C 119 45.089 45.089 45.591 -0.502 17780 5275 1 9 . 1 1 30 30 GLY H H 119 8.271 8.271 8.841 -0.570 17780 5276 1 9 . 1 1 31 31 ALA N N 120 123.540 123.540 124.498 -0.958 17780 5277 1 9 . 1 1 31 31 ALA HA H 120 4.339 4.339 4.504 -0.165 17780 5278 1 9 . 1 1 31 31 ALA CA C 120 52.282 52.282 52.318 -0.036 17780 5279 1 9 . 1 1 31 31 ALA CB C 120 19.432 19.432 19.391 0.041 17780 5280 1 9 . 1 1 31 31 ALA H H 120 8.039 8.039 7.740 0.299 17780 5281 1 9 . 1 1 32 32 VAL N N 121 119.579 119.579 113.243 6.336 17780 5282 1 9 . 1 1 32 32 VAL HA H 121 4.117 4.117 3.762 0.355 17780 5283 1 9 . 1 1 32 32 VAL CA C 121 62.142 62.142 63.787 -1.645 17780 5284 1 9 . 1 1 32 32 VAL CB C 121 32.673 32.673 29.349 3.324 17780 5285 1 9 . 1 1 32 32 VAL H H 121 8.109 8.109 8.804 -0.695 17780 5286 1 9 . 1 1 33 33 VAL N N 122 124.655 124.655 121.812 2.843 17780 5287 1 9 . 1 1 33 33 VAL HA H 122 4.081 4.081 3.814 0.267 17780 5288 1 9 . 1 1 33 33 VAL CA C 122 62.430 62.430 64.908 -2.478 17780 5289 1 9 . 1 1 33 33 VAL CB C 122 32.675 32.675 31.214 1.461 17780 5290 1 9 . 1 1 33 33 VAL H H 122 8.262 8.262 7.307 0.955 17780 5291 1 9 . 1 1 34 34 GLY N N 123 113.165 113.165 107.110 6.055 17780 5292 1 9 . 1 1 34 34 GLY CA C 123 45.264 45.264 44.857 0.407 17780 5293 1 9 . 1 1 34 34 GLY H H 123 8.528 8.528 8.500 0.028 17780 5294 1 9 . 1 1 35 35 GLY N N 124 108.440 108.440 109.153 -0.713 17780 5295 1 9 . 1 1 35 35 GLY CA C 124 45.264 45.264 45.505 -0.241 17780 5296 1 9 . 1 1 35 35 GLY H H 124 8.245 8.245 8.109 0.136 17780 5297 1 9 . 1 1 36 36 LEU N N 125 121.679 121.679 121.111 0.568 17780 5298 1 9 . 1 1 36 36 LEU HA H 125 4.340 4.340 4.314 0.026 17780 5299 1 9 . 1 1 36 36 LEU CA C 125 54.808 54.808 56.113 -1.305 17780 5300 1 9 . 1 1 36 36 LEU CB C 125 42.417 42.417 42.703 -0.286 17780 5301 1 9 . 1 1 36 36 LEU H H 125 8.233 8.233 7.597 0.636 17780 5302 1 9 . 1 1 37 37 GLY N N 126 109.818 109.818 107.424 2.394 17780 5303 1 9 . 1 1 37 37 GLY CA C 126 46.266 46.266 45.834 0.432 17780 5304 1 9 . 1 1 37 37 GLY H H 126 8.511 8.511 8.579 -0.068 17780 5305 1 9 . 1 1 38 38 GLY N N 127 109.485 109.485 109.735 -0.250 17780 5306 1 9 . 1 1 38 38 GLY CA C 127 45.029 45.029 44.934 0.095 17780 5307 1 9 . 1 1 38 38 GLY H H 127 8.374 8.374 7.749 0.625 17780 5308 1 9 . 1 1 39 39 TYR N N 128 117.683 117.683 120.739 -3.056 17780 5309 1 9 . 1 1 39 39 TYR HA H 128 4.501 4.501 4.840 -0.339 17780 5310 1 9 . 1 1 39 39 TYR CA C 128 58.050 58.050 56.381 1.669 17780 5311 1 9 . 1 1 39 39 TYR CB C 128 40.362 40.362 41.233 -0.871 17780 5312 1 9 . 1 1 39 39 TYR H H 128 7.746 7.746 8.060 -0.314 17780 5313 1 9 . 1 1 40 40 MET N N 129 120.902 120.902 116.594 4.308 17780 5314 1 9 . 1 1 40 40 MET HA H 129 4.534 4.534 4.717 -0.183 17780 5315 1 9 . 1 1 40 40 MET CA C 129 53.516 53.516 53.653 -0.137 17780 5316 1 9 . 1 1 40 40 MET CB C 129 34.851 34.851 37.041 -2.191 17780 5317 1 9 . 1 1 40 40 MET H H 129 9.005 9.005 8.567 0.438 17780 5318 1 9 . 1 1 41 41 LEU N N 130 121.514 121.514 114.822 6.692 17780 5319 1 9 . 1 1 41 41 LEU HA H 130 4.464 4.464 5.246 -0.782 17780 5320 1 9 . 1 1 41 41 LEU CA C 130 53.359 53.359 52.695 0.664 17780 5321 1 9 . 1 1 41 41 LEU CB C 130 43.482 43.482 44.002 -0.520 17780 5322 1 9 . 1 1 41 41 LEU H H 130 8.034 8.034 8.216 -0.182 17780 5323 1 9 . 1 1 42 42 GLY N N 131 114.895 114.895 107.909 6.986 17780 5324 1 9 . 1 1 42 42 GLY CA C 131 44.698 44.698 44.997 -0.299 17780 5325 1 9 . 1 1 42 42 GLY H H 131 9.375 9.375 8.611 0.764 17780 5326 1 9 . 1 1 43 43 SER N N 132 113.692 113.692 117.302 -3.610 17780 5327 1 9 . 1 1 43 43 SER HA H 132 4.429 4.429 4.432 -0.003 17780 5328 1 9 . 1 1 43 43 SER CA C 132 58.191 58.191 58.650 -0.459 17780 5329 1 9 . 1 1 43 43 SER CB C 132 63.938 63.938 63.548 0.390 17780 5330 1 9 . 1 1 43 43 SER H H 132 8.345 8.345 8.241 0.104 17780 5331 1 9 . 1 1 44 44 ALA N N 133 125.505 125.505 124.049 1.456 17780 5332 1 9 . 1 1 44 44 ALA HA H 133 4.437 4.437 4.669 -0.232 17780 5333 1 9 . 1 1 44 44 ALA CA C 133 52.936 52.936 51.789 1.147 17780 5334 1 9 . 1 1 44 44 ALA CB C 133 18.412 18.412 20.648 -2.236 17780 5335 1 9 . 1 1 44 44 ALA H H 133 8.735 8.735 8.250 0.485 17780 5336 1 9 . 1 1 45 45 MET N N 134 120.707 120.707 122.939 -2.232 17780 5337 1 9 . 1 1 45 45 MET HA H 134 4.756 4.756 4.976 -0.220 17780 5338 1 9 . 1 1 45 45 MET CA C 134 54.242 54.242 54.861 -0.619 17780 5339 1 9 . 1 1 45 45 MET CB C 134 36.727 36.727 35.126 1.601 17780 5340 1 9 . 1 1 45 45 MET H H 134 8.686 8.686 8.653 0.033 17780 5341 1 9 . 1 1 46 46 SER N N 135 116.235 116.235 115.348 0.887 17780 5342 1 9 . 1 1 46 46 SER HA H 135 4.375 4.375 4.600 -0.225 17780 5343 1 9 . 1 1 46 46 SER CA C 135 58.410 58.410 58.103 0.307 17780 5344 1 9 . 1 1 46 46 SER CB C 135 63.016 63.016 63.942 -0.926 17780 5345 1 9 . 1 1 46 46 SER H H 135 8.397 8.397 8.339 0.058 17780 5346 1 9 . 1 1 47 47 ARG N N 136 126.632 126.632 122.902 3.730 17780 5347 1 9 . 1 1 47 47 ARG HA H 136 4.406 4.406 4.726 -0.320 17780 5348 1 9 . 1 1 47 47 ARG CA C 136 54.783 54.783 52.149 2.634 17780 5349 1 9 . 1 1 47 47 ARG CB C 136 29.040 29.040 30.029 -0.989 17780 5350 1 9 . 1 1 47 47 ARG H H 136 8.668 8.668 8.578 0.090 17780 5351 1 9 . 1 1 48 48 PRO HA H 137 4.422 4.422 4.678 -0.256 17780 5352 1 9 . 1 1 48 48 PRO CA C 137 62.327 62.327 62.093 0.235 17780 5353 1 9 . 1 1 48 48 PRO CB C 137 32.269 32.269 32.534 -0.265 17780 5354 1 9 . 1 1 49 49 ILE N N 138 122.521 122.521 120.008 2.513 17780 5355 1 9 . 1 1 49 49 ILE HA H 138 4.148 4.148 4.185 -0.037 17780 5356 1 9 . 1 1 49 49 ILE CA C 138 60.916 60.916 60.337 0.579 17780 5357 1 9 . 1 1 49 49 ILE CB C 138 36.234 36.234 39.840 -3.606 17780 5358 1 9 . 1 1 49 49 ILE H H 138 8.603 8.603 8.259 0.344 17780 5359 1 9 . 1 1 50 50 ILE N N 139 126.683 126.683 127.421 -0.738 17780 5360 1 9 . 1 1 50 50 ILE HA H 139 3.927 3.927 3.885 0.042 17780 5361 1 9 . 1 1 50 50 ILE CA C 139 58.700 58.700 58.260 0.440 17780 5362 1 9 . 1 1 50 50 ILE CB C 139 39.345 39.345 40.742 -1.397 17780 5363 1 9 . 1 1 50 50 ILE H H 139 6.514 6.514 7.684 -1.170 17780 5364 1 9 . 1 1 51 51 HIS N N 140 121.997 121.997 119.709 2.288 17780 5365 1 9 . 1 1 51 51 HIS HA H 140 4.918 4.918 4.796 0.122 17780 5366 1 9 . 1 1 51 51 HIS CA C 140 54.065 54.065 54.423 -0.359 17780 5367 1 9 . 1 1 51 51 HIS CB C 140 29.466 29.466 27.902 1.564 17780 5368 1 9 . 1 1 51 51 HIS H H 140 8.203 8.203 7.514 0.689 17780 5369 1 9 . 1 1 52 52 PHE N N 141 124.334 124.334 123.984 0.350 17780 5370 1 9 . 1 1 52 52 PHE HA H 141 4.348 4.348 4.456 -0.108 17780 5371 1 9 . 1 1 52 52 PHE CA C 141 59.251 59.251 59.314 -0.063 17780 5372 1 9 . 1 1 52 52 PHE CB C 141 41.448 41.448 40.110 1.338 17780 5373 1 9 . 1 1 52 52 PHE H H 141 10.160 10.160 9.390 0.770 17780 5374 1 9 . 1 1 53 53 GLY N N 142 108.368 108.368 104.935 3.433 17780 5375 1 9 . 1 1 53 53 GLY CA C 142 45.516 45.516 45.980 -0.465 17780 5376 1 9 . 1 1 53 53 GLY H H 142 8.984 8.984 7.843 1.141 17780 5377 1 9 . 1 1 54 54 SER N N 143 111.819 111.819 114.475 -2.656 17780 5378 1 9 . 1 1 54 54 SER HA H 143 4.810 4.810 4.571 0.239 17780 5379 1 9 . 1 1 54 54 SER CA C 143 56.498 56.498 57.138 -0.639 17780 5380 1 9 . 1 1 54 54 SER CB C 143 65.964 65.964 64.914 1.050 17780 5381 1 9 . 1 1 54 54 SER H H 143 7.334 7.334 7.436 -0.102 17780 5382 1 9 . 1 1 55 55 ASP N N 144 124.249 124.249 122.961 1.288 17780 5383 1 9 . 1 1 55 55 ASP HA H 144 4.500 4.500 4.431 0.069 17780 5384 1 9 . 1 1 55 55 ASP CA C 144 57.493 57.493 56.873 0.620 17780 5385 1 9 . 1 1 55 55 ASP CB C 144 40.664 40.664 40.931 -0.267 17780 5386 1 9 . 1 1 55 55 ASP H H 144 9.014 9.014 8.621 0.393 17780 5387 1 9 . 1 1 56 56 TYR N N 145 118.991 118.991 114.600 4.391 17780 5388 1 9 . 1 1 56 56 TYR HA H 145 4.196 4.196 4.500 -0.304 17780 5389 1 9 . 1 1 56 56 TYR CA C 145 61.351 61.351 59.458 1.893 17780 5390 1 9 . 1 1 56 56 TYR CB C 145 38.075 38.075 37.457 0.618 17780 5391 1 9 . 1 1 56 56 TYR H H 145 8.551 8.551 7.591 0.960 17780 5392 1 9 . 1 1 57 57 GLU N N 146 119.217 119.217 120.436 -1.219 17780 5393 1 9 . 1 1 57 57 GLU HA H 146 3.563 3.563 4.499 -0.936 17780 5394 1 9 . 1 1 57 57 GLU CA C 146 59.921 59.921 59.305 0.616 17780 5395 1 9 . 1 1 57 57 GLU CB C 146 30.297 30.297 29.756 0.541 17780 5396 1 9 . 1 1 57 57 GLU H H 146 7.741 7.741 7.680 0.061 17780 5397 1 9 . 1 1 58 58 ASP N N 147 119.565 119.565 119.997 -0.432 17780 5398 1 9 . 1 1 58 58 ASP HA H 147 4.498 4.498 4.797 -0.299 17780 5399 1 9 . 1 1 58 58 ASP CA C 147 58.185 58.185 57.071 1.114 17780 5400 1 9 . 1 1 58 58 ASP CB C 147 40.598 40.598 40.691 -0.093 17780 5401 1 9 . 1 1 58 58 ASP H H 147 8.139 8.139 8.485 -0.346 17780 5402 1 9 . 1 1 59 59 ARG N N 148 120.296 120.296 118.532 1.764 17780 5403 1 9 . 1 1 59 59 ARG HA H 148 4.004 4.004 4.171 -0.167 17780 5404 1 9 . 1 1 59 59 ARG CA C 148 59.393 59.393 58.733 0.660 17780 5405 1 9 . 1 1 59 59 ARG CB C 148 29.910 29.910 29.927 -0.017 17780 5406 1 9 . 1 1 59 59 ARG H H 148 8.181 8.181 7.996 0.185 17780 5407 1 9 . 1 1 60 60 TYR N N 149 121.152 121.152 122.854 -1.702 17780 5408 1 9 . 1 1 60 60 TYR HA H 149 3.819 3.819 4.499 -0.680 17780 5409 1 9 . 1 1 60 60 TYR CA C 149 62.195 62.195 58.978 3.217 17780 5410 1 9 . 1 1 60 60 TYR CB C 149 37.808 37.808 38.260 -0.452 17780 5411 1 9 . 1 1 60 60 TYR H H 149 8.333 8.333 7.610 0.723 17780 5412 1 9 . 1 1 61 61 TYR N N 150 120.365 120.365 120.722 -0.357 17780 5413 1 9 . 1 1 61 61 TYR HA H 150 4.122 4.122 3.421 0.701 17780 5414 1 9 . 1 1 61 61 TYR CA C 150 62.969 62.969 60.508 2.462 17780 5415 1 9 . 1 1 61 61 TYR CB C 150 38.207 38.207 37.683 0.524 17780 5416 1 9 . 1 1 61 61 TYR H H 150 8.942 8.942 8.159 0.783 17780 5417 1 9 . 1 1 62 62 ARG N N 151 117.982 117.982 116.054 1.928 17780 5418 1 9 . 1 1 62 62 ARG HA H 151 3.938 3.938 3.293 0.645 17780 5419 1 9 . 1 1 62 62 ARG CA C 151 59.940 59.940 58.097 1.843 17780 5420 1 9 . 1 1 62 62 ARG CB C 151 29.731 29.731 29.826 -0.095 17780 5421 1 9 . 1 1 62 62 ARG H H 151 7.938 7.938 7.323 0.615 17780 5422 1 9 . 1 1 63 63 GLU N N 152 116.389 116.389 119.071 -2.682 17780 5423 1 9 . 1 1 63 63 GLU HA H 152 4.059 4.059 4.066 -0.007 17780 5424 1 9 . 1 1 63 63 GLU CA C 152 57.990 57.990 59.384 -1.394 17780 5425 1 9 . 1 1 63 63 GLU CB C 152 29.915 29.915 29.607 0.308 17780 5426 1 9 . 1 1 63 63 GLU H H 152 8.068 8.068 7.992 0.076 17780 5427 1 9 . 1 1 64 64 ASN N N 153 114.690 114.690 115.212 -0.522 17780 5428 1 9 . 1 1 64 64 ASN HA H 153 4.406 4.406 4.428 -0.022 17780 5429 1 9 . 1 1 64 64 ASN CA C 153 54.814 54.814 53.761 1.053 17780 5430 1 9 . 1 1 64 64 ASN CB C 153 41.178 41.178 37.955 3.224 17780 5431 1 9 . 1 1 64 64 ASN H H 153 7.525 7.525 7.344 0.181 17780 5432 1 9 . 1 1 65 65 MET N N 154 119.058 119.058 121.998 -2.940 17780 5433 1 9 . 1 1 65 65 MET HA H 154 3.417 3.417 3.467 -0.050 17780 5434 1 9 . 1 1 65 65 MET CA C 154 59.193 59.193 58.849 0.344 17780 5435 1 9 . 1 1 65 65 MET CB C 154 30.258 30.258 31.743 -1.485 17780 5436 1 9 . 1 1 65 65 MET H H 154 7.993 7.993 7.015 0.978 17780 5437 1 9 . 1 1 66 66 HIS N N 155 116.083 116.083 114.929 1.154 17780 5438 1 9 . 1 1 66 66 HIS HA H 155 4.208 4.208 4.282 -0.074 17780 5439 1 9 . 1 1 66 66 HIS CA C 155 57.382 57.382 58.396 -1.014 17780 5440 1 9 . 1 1 66 66 HIS CB C 155 28.955 28.955 29.303 -0.348 17780 5441 1 9 . 1 1 66 66 HIS H H 155 7.988 7.988 7.426 0.562 17780 5442 1 9 . 1 1 67 67 ARG N N 156 118.993 118.993 116.947 2.046 17780 5443 1 9 . 1 1 67 67 ARG HA H 156 4.133 4.133 4.412 -0.279 17780 5444 1 9 . 1 1 67 67 ARG CA C 156 56.135 56.135 56.623 -0.488 17780 5445 1 9 . 1 1 67 67 ARG CB C 156 30.521 30.521 30.560 -0.039 17780 5446 1 9 . 1 1 67 67 ARG H H 156 7.488 7.488 7.495 -0.007 17780 5447 1 9 . 1 1 68 68 TYR N N 157 121.321 121.321 119.835 1.486 17780 5448 1 9 . 1 1 68 68 TYR HA H 157 4.991 4.991 4.762 0.229 17780 5449 1 9 . 1 1 68 68 TYR CA C 157 52.644 52.644 53.843 -1.199 17780 5450 1 9 . 1 1 68 68 TYR CB C 157 34.873 34.873 37.989 -3.116 17780 5451 1 9 . 1 1 68 68 TYR H H 157 7.433 7.433 7.485 -0.052 17780 5452 1 9 . 1 1 69 69 PRO HA H 158 4.338 4.338 4.430 -0.092 17780 5453 1 9 . 1 1 69 69 PRO CA C 158 63.651 63.651 62.431 1.220 17780 5454 1 9 . 1 1 69 69 PRO CB C 158 32.005 32.005 33.082 -1.077 17780 5455 1 9 . 1 1 70 70 ASN N N 159 116.696 116.696 117.150 -0.454 17780 5456 1 9 . 1 1 70 70 ASN HA H 159 4.690 4.690 4.535 0.155 17780 5457 1 9 . 1 1 70 70 ASN CA C 159 51.997 51.997 54.208 -2.211 17780 5458 1 9 . 1 1 70 70 ASN CB C 159 38.375 38.375 38.880 -0.506 17780 5459 1 9 . 1 1 70 70 ASN H H 159 8.673 8.673 8.556 0.117 17780 5460 1 9 . 1 1 71 71 GLN N N 160 114.313 114.313 117.366 -3.053 17780 5461 1 9 . 1 1 71 71 GLN HA H 160 4.523 4.523 4.656 -0.133 17780 5462 1 9 . 1 1 71 71 GLN CA C 160 54.286 54.286 54.209 0.077 17780 5463 1 9 . 1 1 71 71 GLN CB C 160 32.975 32.975 32.441 0.534 17780 5464 1 9 . 1 1 71 71 GLN H H 160 7.319 7.319 7.743 -0.424 17780 5465 1 9 . 1 1 72 72 VAL N N 161 112.569 112.569 116.048 -3.479 17780 5466 1 9 . 1 1 72 72 VAL HA H 161 4.927 4.927 4.428 0.499 17780 5467 1 9 . 1 1 72 72 VAL CA C 161 58.651 58.651 61.142 -2.491 17780 5468 1 9 . 1 1 72 72 VAL CB C 161 33.812 33.812 33.464 0.348 17780 5469 1 9 . 1 1 72 72 VAL H H 161 8.477 8.477 8.225 0.252 17780 5470 1 9 . 1 1 73 73 TYR N N 162 121.525 121.525 124.524 -2.999 17780 5471 1 9 . 1 1 73 73 TYR HA H 162 5.507 5.507 5.403 0.104 17780 5472 1 9 . 1 1 73 73 TYR CA C 162 57.133 57.133 56.065 1.068 17780 5473 1 9 . 1 1 73 73 TYR CB C 162 41.970 41.970 41.573 0.397 17780 5474 1 9 . 1 1 73 73 TYR H H 162 8.490 8.490 8.542 -0.052 17780 5475 1 9 . 1 1 74 74 TYR N N 163 111.081 111.081 119.146 -8.065 17780 5476 1 9 . 1 1 74 74 TYR HA H 163 4.758 4.758 5.143 -0.385 17780 5477 1 9 . 1 1 74 74 TYR CA C 163 55.367 55.367 56.607 -1.240 17780 5478 1 9 . 1 1 74 74 TYR CB C 163 40.401 40.401 39.787 0.614 17780 5479 1 9 . 1 1 74 74 TYR H H 163 8.593 8.593 8.745 -0.152 17780 5480 1 9 . 1 1 76 76 PRO HA H 165 4.490 4.490 4.571 -0.081 17780 5481 1 9 . 1 1 76 76 PRO CA C 165 62.967 62.967 62.979 -0.012 17780 5482 1 9 . 1 1 76 76 PRO CB C 165 32.372 32.372 32.658 -0.286 17780 5483 1 9 . 1 1 77 77 MET N N 166 121.408 121.408 116.382 5.026 17780 5484 1 9 . 1 1 77 77 MET HA H 166 4.438 4.438 3.916 0.522 17780 5485 1 9 . 1 1 77 77 MET CA C 166 57.081 57.081 55.342 1.739 17780 5486 1 9 . 1 1 77 77 MET CB C 166 32.165 32.165 30.870 1.295 17780 5487 1 9 . 1 1 77 77 MET H H 166 9.013 9.013 8.257 0.756 17780 5488 1 9 . 1 1 78 78 ASP N N 167 119.933 119.933 120.110 -0.177 17780 5489 1 9 . 1 1 78 78 ASP HA H 167 4.754 4.754 4.758 -0.004 17780 5490 1 9 . 1 1 78 78 ASP CA C 167 52.485 52.485 53.953 -1.468 17780 5491 1 9 . 1 1 78 78 ASP CB C 167 38.802 38.802 41.346 -2.544 17780 5492 1 9 . 1 1 78 78 ASP H H 167 8.176 8.176 8.426 -0.250 17780 5493 1 9 . 1 1 79 79 GLU N N 168 116.934 116.934 115.958 0.976 17780 5494 1 9 . 1 1 79 79 GLU HA H 168 4.308 4.308 4.215 0.093 17780 5495 1 9 . 1 1 79 79 GLU CA C 168 58.638 58.638 55.257 3.381 17780 5496 1 9 . 1 1 79 79 GLU CB C 168 29.185 29.185 30.845 -1.659 17780 5497 1 9 . 1 1 79 79 GLU H H 168 8.332 8.332 7.584 0.748 17780 5498 1 9 . 1 1 81 81 SER N N 170 116.603 116.603 113.318 3.285 17780 5499 1 9 . 1 1 81 81 SER HA H 170 4.374 4.374 4.097 0.277 17780 5500 1 9 . 1 1 81 81 SER CA C 170 58.475 58.475 58.928 -0.453 17780 5501 1 9 . 1 1 81 81 SER CB C 170 63.677 63.677 62.022 1.655 17780 5502 1 9 . 1 1 81 81 SER H H 170 8.560 8.560 7.955 0.605 17780 5503 1 9 . 1 1 83 83 GLN N N 172 120.404 120.404 119.118 1.286 17780 5504 1 9 . 1 1 83 83 GLN HA H 172 4.750 4.750 4.589 0.161 17780 5505 1 9 . 1 1 83 83 GLN CA C 172 59.899 59.899 54.953 4.946 17780 5506 1 9 . 1 1 83 83 GLN CB C 172 29.023 29.023 31.881 -2.858 17780 5507 1 9 . 1 1 83 83 GLN H H 172 8.635 8.635 7.776 0.859 17780 5508 1 9 . 1 1 84 84 ASN N N 173 116.470 116.470 124.303 -7.833 17780 5509 1 9 . 1 1 84 84 ASN HA H 173 4.237 4.237 4.493 -0.256 17780 5510 1 9 . 1 1 84 84 ASN CA C 173 56.470 56.470 55.644 0.827 17780 5511 1 9 . 1 1 84 84 ASN CB C 173 37.812 37.812 38.615 -0.803 17780 5512 1 9 . 1 1 84 84 ASN H H 173 8.352 8.352 8.927 -0.575 17780 5513 1 9 . 1 1 85 85 ASN N N 174 118.500 118.500 119.704 -1.204 17780 5514 1 9 . 1 1 85 85 ASN HA H 174 4.534 4.534 4.552 -0.018 17780 5515 1 9 . 1 1 85 85 ASN CA C 174 55.905 55.905 56.091 -0.186 17780 5516 1 9 . 1 1 85 85 ASN CB C 174 37.760 37.760 38.373 -0.613 17780 5517 1 9 . 1 1 85 85 ASN H H 174 8.602 8.602 8.331 0.271 17780 5518 1 9 . 1 1 86 86 PHE CB C 175 39.641 39.641 38.433 1.208 17780 5519 1 9 . 1 1 87 87 VAL N N 176 120.134 120.134 120.354 -0.220 17780 5520 1 9 . 1 1 87 87 VAL HA H 176 3.564 3.564 2.635 0.929 17780 5521 1 9 . 1 1 87 87 VAL CA C 176 67.737 67.737 65.504 2.232 17780 5522 1 9 . 1 1 87 87 VAL CB C 176 31.951 31.951 30.090 1.861 17780 5523 1 9 . 1 1 87 87 VAL H H 176 9.002 9.002 7.513 1.489 17780 5524 1 9 . 1 1 88 88 HIS N N 177 117.217 117.217 119.071 -1.854 17780 5525 1 9 . 1 1 88 88 HIS HA H 177 4.304 4.304 4.141 0.163 17780 5526 1 9 . 1 1 88 88 HIS CA C 177 59.781 59.781 60.711 -0.930 17780 5527 1 9 . 1 1 88 88 HIS CB C 177 28.264 28.264 29.694 -1.430 17780 5528 1 9 . 1 1 88 88 HIS H H 177 8.330 8.330 8.090 0.240 17780 5529 1 9 . 1 1 89 89 ASP N N 178 118.497 118.497 119.446 -0.949 17780 5530 1 9 . 1 1 89 89 ASP HA H 178 4.500 4.500 4.582 -0.082 17780 5531 1 9 . 1 1 89 89 ASP CA C 178 57.423 57.423 56.544 0.880 17780 5532 1 9 . 1 1 89 89 ASP CB C 178 41.792 41.792 41.031 0.761 17780 5533 1 9 . 1 1 89 89 ASP H H 178 7.696 7.696 7.874 -0.178 17780 5534 1 9 . 1 1 90 90 CYS N N 179 119.012 119.012 120.420 -1.408 17780 5535 1 9 . 1 1 90 90 CYS HA H 179 4.753 4.753 4.247 0.506 17780 5536 1 9 . 1 1 90 90 CYS CA C 179 58.466 58.466 62.069 -3.603 17780 5537 1 9 . 1 1 90 90 CYS CB C 179 40.758 40.758 25.948 14.810 17780 5538 1 9 . 1 1 90 90 CYS H H 179 8.037 8.037 7.362 0.675 17780 5539 1 9 . 1 1 91 91 VAL N N 180 125.063 125.063 120.588 4.475 17780 5540 1 9 . 1 1 91 91 VAL HA H 180 3.667 3.667 3.495 0.172 17780 5541 1 9 . 1 1 91 91 VAL CA C 180 66.293 66.293 66.546 -0.253 17780 5542 1 9 . 1 1 91 91 VAL CB C 180 32.028 32.028 31.668 0.360 17780 5543 1 9 . 1 1 91 91 VAL H H 180 9.212 9.212 8.684 0.528 17780 5544 1 9 . 1 1 92 92 ASN N N 181 116.153 116.153 118.935 -2.782 17780 5545 1 9 . 1 1 92 92 ASN HA H 181 4.311 4.311 4.389 -0.078 17780 5546 1 9 . 1 1 92 92 ASN CA C 181 56.622 56.622 56.371 0.251 17780 5547 1 9 . 1 1 92 92 ASN CB C 181 38.749 38.749 38.062 0.687 17780 5548 1 9 . 1 1 92 92 ASN H H 181 7.626 7.626 7.593 0.033 17780 5549 1 9 . 1 1 93 93 ILE N N 182 118.637 118.637 119.971 -1.334 17780 5550 1 9 . 1 1 93 93 ILE HA H 182 3.787 3.787 3.729 0.058 17780 5551 1 9 . 1 1 93 93 ILE CA C 182 62.078 62.078 64.136 -2.058 17780 5552 1 9 . 1 1 93 93 ILE CB C 182 36.535 36.535 36.590 -0.055 17780 5553 1 9 . 1 1 93 93 ILE H H 182 8.610 8.610 8.524 0.086 17780 5554 1 9 . 1 1 94 94 THR N N 183 118.229 118.229 117.632 0.597 17780 5555 1 9 . 1 1 94 94 THR HA H 183 4.097 4.097 4.073 0.024 17780 5556 1 9 . 1 1 94 94 THR CA C 183 68.834 68.834 67.479 1.355 17780 5557 1 9 . 1 1 94 94 THR CB C 183 68.258 68.258 68.552 -0.294 17780 5558 1 9 . 1 1 94 94 THR H H 183 8.140 8.140 8.197 -0.057 17780 5559 1 9 . 1 1 95 95 ILE N N 184 120.906 120.906 121.297 -0.391 17780 5560 1 9 . 1 1 95 95 ILE HA H 184 3.666 3.666 3.905 -0.239 17780 5561 1 9 . 1 1 95 95 ILE CA C 184 66.259 66.259 63.029 3.230 17780 5562 1 9 . 1 1 95 95 ILE CB C 184 36.824 36.824 37.873 -1.049 17780 5563 1 9 . 1 1 95 95 ILE H H 184 8.450 8.450 7.885 0.565 17780 5564 1 9 . 1 1 96 96 LYS N N 185 123.208 123.208 121.535 1.673 17780 5565 1 9 . 1 1 96 96 LYS HA H 185 4.067 4.067 3.859 0.208 17780 5566 1 9 . 1 1 96 96 LYS CA C 185 59.987 59.987 60.221 -0.235 17780 5567 1 9 . 1 1 96 96 LYS CB C 185 32.119 32.119 32.172 -0.053 17780 5568 1 9 . 1 1 96 96 LYS H H 185 8.067 8.067 8.375 -0.308 17780 5569 1 9 . 1 1 97 97 GLN N N 186 116.879 116.879 117.942 -1.063 17780 5570 1 9 . 1 1 97 97 GLN HA H 186 4.059 4.059 3.997 0.062 17780 5571 1 9 . 1 1 97 97 GLN CA C 186 58.010 58.010 58.856 -0.847 17780 5572 1 9 . 1 1 97 97 GLN CB C 186 27.982 27.982 28.218 -0.236 17780 5573 1 9 . 1 1 97 97 GLN H H 186 8.493 8.493 8.376 0.117 17780 5574 1 9 . 1 1 98 98 HIS N N 187 119.676 119.676 121.565 -1.889 17780 5575 1 9 . 1 1 98 98 HIS HA H 187 4.579 4.579 4.474 0.105 17780 5576 1 9 . 1 1 98 98 HIS CA C 187 59.465 59.465 59.390 0.075 17780 5577 1 9 . 1 1 98 98 HIS CB C 187 31.628 31.628 29.775 1.853 17780 5578 1 9 . 1 1 98 98 HIS H H 187 8.435 8.435 7.580 0.855 17780 5579 1 9 . 1 1 99 99 THR N N 188 114.500 114.500 115.614 -1.114 17780 5580 1 9 . 1 1 99 99 THR HA H 188 4.090 4.090 3.858 0.232 17780 5581 1 9 . 1 1 99 99 THR CA C 188 66.210 66.210 65.586 0.624 17780 5582 1 9 . 1 1 99 99 THR CB C 188 68.800 68.800 68.240 0.560 17780 5583 1 9 . 1 1 99 99 THR H H 188 8.440 8.440 8.422 0.018 17780 5584 1 9 . 1 1 100 100 VAL N N 189 122.934 122.934 120.444 2.490 17780 5585 1 9 . 1 1 100 100 VAL HA H 189 3.838 3.838 3.677 0.161 17780 5586 1 9 . 1 1 100 100 VAL CA C 189 65.832 65.832 66.499 -0.667 17780 5587 1 9 . 1 1 100 100 VAL CB C 189 31.897 31.897 31.751 0.146 17780 5588 1 9 . 1 1 100 100 VAL H H 189 8.057 8.057 7.733 0.324 17780 5589 1 9 . 1 1 101 101 THR N N 190 115.101 115.101 112.828 2.273 17780 5590 1 9 . 1 1 101 101 THR HA H 190 4.140 4.140 3.982 0.158 17780 5591 1 9 . 1 1 101 101 THR CA C 190 64.907 64.907 66.153 -1.246 17780 5592 1 9 . 1 1 101 101 THR CB C 190 69.041 69.041 68.119 0.922 17780 5593 1 9 . 1 1 101 101 THR H H 190 8.131 8.131 8.001 0.130 17780 5594 1 9 . 1 1 102 102 THR N N 191 114.546 114.546 119.473 -4.927 17780 5595 1 9 . 1 1 102 102 THR HA H 191 4.092 4.092 3.786 0.306 17780 5596 1 9 . 1 1 102 102 THR CA C 191 64.801 64.801 67.457 -2.656 17780 5597 1 9 . 1 1 102 102 THR CB C 191 69.145 69.145 68.096 1.049 17780 5598 1 9 . 1 1 102 102 THR H H 191 8.011 8.011 7.958 0.053 17780 5599 1 9 . 1 1 103 103 THR N N 192 117.876 117.876 112.760 5.116 17780 5600 1 9 . 1 1 103 103 THR HA H 192 4.373 4.373 4.674 -0.301 17780 5601 1 9 . 1 1 103 103 THR CA C 192 64.935 64.935 64.710 0.225 17780 5602 1 9 . 1 1 103 103 THR CB C 192 69.043 69.043 68.692 0.351 17780 5603 1 9 . 1 1 103 103 THR H H 192 8.224 8.224 7.516 0.708 17780 5604 1 9 . 1 1 104 104 THR N N 193 116.232 116.232 118.162 -1.930 17780 5605 1 9 . 1 1 104 104 THR HA H 193 4.204 4.204 4.077 0.127 17780 5606 1 9 . 1 1 104 104 THR CA C 193 64.311 64.311 65.462 -1.151 17780 5607 1 9 . 1 1 104 104 THR CB C 193 68.981 68.981 68.785 0.196 17780 5608 1 9 . 1 1 104 104 THR H H 193 7.805 7.805 7.685 0.120 17780 5609 1 9 . 1 1 105 105 LYS N N 194 119.843 119.843 118.691 1.152 17780 5610 1 9 . 1 1 105 105 LYS HA H 194 4.384 4.384 4.374 0.010 17780 5611 1 9 . 1 1 105 105 LYS CA C 194 56.220 56.220 55.401 0.820 17780 5612 1 9 . 1 1 105 105 LYS CB C 194 32.527 32.527 32.376 0.151 17780 5613 1 9 . 1 1 105 105 LYS H H 194 7.504 7.504 7.686 -0.182 17780 5614 1 9 . 1 1 106 106 GLY N N 195 107.946 107.946 107.770 0.176 17780 5615 1 9 . 1 1 106 106 GLY CA C 195 45.431 45.431 45.236 0.195 17780 5616 1 9 . 1 1 106 106 GLY H H 195 7.924 7.924 7.640 0.284 17780 5617 1 9 . 1 1 107 107 GLU N N 196 120.063 120.063 120.016 0.047 17780 5618 1 9 . 1 1 107 107 GLU HA H 196 4.255 4.255 4.656 -0.401 17780 5619 1 9 . 1 1 107 107 GLU CA C 196 55.597 55.597 54.795 0.802 17780 5620 1 9 . 1 1 107 107 GLU CB C 196 31.073 31.073 32.667 -1.594 17780 5621 1 9 . 1 1 107 107 GLU H H 196 7.465 7.465 8.268 -0.803 17780 5622 1 9 . 1 1 108 108 ASN N N 197 119.350 119.350 119.290 0.060 17780 5623 1 9 . 1 1 108 108 ASN HA H 197 4.657 4.657 5.066 -0.409 17780 5624 1 9 . 1 1 108 108 ASN CA C 197 52.673 52.673 52.980 -0.306 17780 5625 1 9 . 1 1 108 108 ASN CB C 197 40.827 40.827 40.279 0.548 17780 5626 1 9 . 1 1 108 108 ASN H H 197 8.458 8.458 8.598 -0.140 17780 5627 1 9 . 1 1 109 109 PHE N N 198 121.688 121.688 121.913 -0.225 17780 5628 1 9 . 1 1 109 109 PHE HA H 198 5.317 5.317 4.872 0.445 17780 5629 1 9 . 1 1 109 109 PHE CA C 198 56.571 56.571 56.193 0.378 17780 5630 1 9 . 1 1 109 109 PHE CB C 198 40.093 40.093 42.706 -2.613 17780 5631 1 9 . 1 1 109 109 PHE H H 198 8.709 8.709 8.841 -0.132 17780 5632 1 9 . 1 1 110 110 THR N N 199 115.904 115.904 115.732 0.172 17780 5633 1 9 . 1 1 110 110 THR HA H 199 4.624 4.624 4.591 0.033 17780 5634 1 9 . 1 1 110 110 THR CA C 199 60.343 60.343 61.223 -0.880 17780 5635 1 9 . 1 1 110 110 THR CB C 199 72.033 72.033 70.378 1.655 17780 5636 1 9 . 1 1 110 110 THR H H 199 9.547 9.547 9.047 0.500 17780 5637 1 9 . 1 1 111 111 GLU N N 200 119.988 119.988 121.178 -1.190 17780 5638 1 9 . 1 1 111 111 GLU HA H 200 4.067 4.067 4.063 0.004 17780 5639 1 9 . 1 1 111 111 GLU CA C 200 60.027 60.027 59.797 0.230 17780 5640 1 9 . 1 1 111 111 GLU CB C 200 28.976 28.976 28.791 0.185 17780 5641 1 9 . 1 1 111 111 GLU H H 200 9.132 9.132 9.014 0.118 17780 5642 1 9 . 1 1 112 112 THR N N 201 116.221 116.221 116.285 -0.064 17780 5643 1 9 . 1 1 112 112 THR HA H 201 3.796 3.796 4.080 -0.284 17780 5644 1 9 . 1 1 112 112 THR CA C 201 66.781 66.781 66.493 0.288 17780 5645 1 9 . 1 1 112 112 THR CB C 201 68.581 68.581 68.492 0.089 17780 5646 1 9 . 1 1 112 112 THR H H 201 7.934 7.934 8.125 -0.191 17780 5647 1 9 . 1 1 113 113 ASP N N 202 120.001 120.001 122.939 -2.938 17780 5648 1 9 . 1 1 113 113 ASP HA H 202 4.598 4.598 4.566 0.032 17780 5649 1 9 . 1 1 113 113 ASP CA C 202 57.984 57.984 58.163 -0.179 17780 5650 1 9 . 1 1 113 113 ASP CB C 202 41.756 41.756 41.079 0.677 17780 5651 1 9 . 1 1 113 113 ASP H H 202 7.503 7.503 8.166 -0.663 17780 5652 1 9 . 1 1 114 114 VAL N N 203 119.529 119.529 119.668 -0.139 17780 5653 1 9 . 1 1 114 114 VAL HA H 203 3.279 3.279 3.601 -0.322 17780 5654 1 9 . 1 1 114 114 VAL CA C 203 67.817 67.817 66.635 1.182 17780 5655 1 9 . 1 1 114 114 VAL CB C 203 31.528 31.528 31.651 -0.123 17780 5656 1 9 . 1 1 114 114 VAL H H 203 8.209 8.209 7.789 0.420 17780 5657 1 9 . 1 1 115 115 LYS N N 204 119.051 119.051 120.223 -1.172 17780 5658 1 9 . 1 1 115 115 LYS HA H 204 4.082 4.082 4.303 -0.221 17780 5659 1 9 . 1 1 115 115 LYS CA C 204 59.268 59.268 59.184 0.084 17780 5660 1 9 . 1 1 115 115 LYS CB C 204 31.979 31.979 32.755 -0.776 17780 5661 1 9 . 1 1 115 115 LYS H H 204 7.714 7.714 8.103 -0.389 17780 5662 1 9 . 1 1 116 116 MET N N 205 118.581 118.581 115.931 2.650 17780 5663 1 9 . 1 1 116 116 MET HA H 205 4.167 4.167 4.436 -0.269 17780 5664 1 9 . 1 1 116 116 MET CA C 205 59.984 59.984 58.478 1.506 17780 5665 1 9 . 1 1 116 116 MET CB C 205 32.933 32.933 33.288 -0.355 17780 5666 1 9 . 1 1 116 116 MET H H 205 8.182 8.182 8.229 -0.047 17780 5667 1 9 . 1 1 117 117 MET N N 206 118.259 118.259 117.733 0.526 17780 5668 1 9 . 1 1 117 117 MET HA H 206 3.561 3.561 4.103 -0.542 17780 5669 1 9 . 1 1 117 117 MET CA C 206 59.967 59.967 58.330 1.637 17780 5670 1 9 . 1 1 117 117 MET CB C 206 33.824 33.824 31.826 1.998 17780 5671 1 9 . 1 1 117 117 MET H H 206 8.691 8.691 7.778 0.913 17780 5672 1 9 . 1 1 118 118 GLU N N 207 118.878 118.878 120.273 -1.395 17780 5673 1 9 . 1 1 118 118 GLU HA H 207 3.658 3.658 3.853 -0.195 17780 5674 1 9 . 1 1 118 118 GLU CA C 207 60.702 60.702 59.518 1.184 17780 5675 1 9 . 1 1 118 118 GLU CB C 207 29.000 29.000 29.351 -0.351 17780 5676 1 9 . 1 1 118 118 GLU H H 207 8.544 8.544 7.966 0.578 17780 5677 1 9 . 1 1 119 119 ARG N N 208 116.694 116.694 117.177 -0.483 17780 5678 1 9 . 1 1 119 119 ARG HA H 208 4.228 4.228 3.961 0.267 17780 5679 1 9 . 1 1 119 119 ARG CA C 208 58.554 58.554 59.117 -0.563 17780 5680 1 9 . 1 1 119 119 ARG CB C 208 30.136 30.136 29.806 0.330 17780 5681 1 9 . 1 1 119 119 ARG H H 208 7.289 7.289 7.740 -0.451 17780 5682 1 9 . 1 1 120 120 VAL N N 209 119.035 119.035 115.646 3.389 17780 5683 1 9 . 1 1 120 120 VAL HA H 209 3.837 3.837 3.954 -0.117 17780 5684 1 9 . 1 1 120 120 VAL CA C 209 65.766 65.766 65.445 0.321 17780 5685 1 9 . 1 1 120 120 VAL CB C 209 32.213 32.213 31.664 0.549 17780 5686 1 9 . 1 1 120 120 VAL H H 209 8.279 8.279 7.424 0.855 17780 5687 1 9 . 1 1 121 121 VAL N N 210 121.668 121.668 116.285 5.383 17780 5688 1 9 . 1 1 121 121 VAL HA H 210 3.597 3.597 3.984 -0.387 17780 5689 1 9 . 1 1 121 121 VAL CA C 210 66.639 66.639 64.567 2.072 17780 5690 1 9 . 1 1 121 121 VAL CB C 210 31.097 31.097 30.402 0.695 17780 5691 1 9 . 1 1 121 121 VAL H H 210 9.183 9.183 7.473 1.710 17780 5692 1 9 . 1 1 122 122 GLU N N 211 120.770 120.770 120.442 0.328 17780 5693 1 9 . 1 1 122 122 GLU HA H 211 3.603 3.603 3.795 -0.192 17780 5694 1 9 . 1 1 122 122 GLU CA C 211 61.132 61.132 60.325 0.807 17780 5695 1 9 . 1 1 122 122 GLU CB C 211 29.153 29.153 29.074 0.079 17780 5696 1 9 . 1 1 122 122 GLU H H 211 8.041 8.041 7.599 0.442 17780 5697 1 9 . 1 1 123 123 GLN N N 212 114.580 114.580 117.526 -2.946 17780 5698 1 9 . 1 1 123 123 GLN HA H 212 3.662 3.662 4.115 -0.453 17780 5699 1 9 . 1 1 123 123 GLN CA C 212 58.509 58.509 58.076 0.433 17780 5700 1 9 . 1 1 123 123 GLN CB C 212 27.824 27.824 27.916 -0.092 17780 5701 1 9 . 1 1 123 123 GLN H H 212 7.096 7.096 7.847 -0.751 17780 5702 1 9 . 1 1 124 124 MET N N 213 119.748 119.748 120.068 -0.320 17780 5703 1 9 . 1 1 124 124 MET HA H 213 4.167 4.167 4.186 -0.019 17780 5704 1 9 . 1 1 124 124 MET CA C 213 59.928 59.928 59.578 0.351 17780 5705 1 9 . 1 1 124 124 MET CB C 213 34.529 34.529 32.537 1.992 17780 5706 1 9 . 1 1 124 124 MET H H 213 8.145 8.145 7.817 0.328 17780 5707 1 9 . 1 1 125 125 CYS N N 214 119.538 119.538 119.769 -0.231 17780 5708 1 9 . 1 1 125 125 CYS HA H 214 4.427 4.427 4.161 0.266 17780 5709 1 9 . 1 1 125 125 CYS CA C 214 59.838 59.838 62.290 -2.452 17780 5710 1 9 . 1 1 125 125 CYS CB C 214 41.798 41.798 25.641 16.157 17780 5711 1 9 . 1 1 125 125 CYS H H 214 9.275 9.275 8.065 1.210 17780 5712 1 9 . 1 1 126 126 ILE N N 215 123.982 123.982 120.860 3.122 17780 5713 1 9 . 1 1 126 126 ILE HA H 215 3.579 3.579 3.889 -0.310 17780 5714 1 9 . 1 1 126 126 ILE CA C 215 66.649 66.649 65.673 0.976 17780 5715 1 9 . 1 1 126 126 ILE CB C 215 38.152 38.152 37.957 0.195 17780 5716 1 9 . 1 1 126 126 ILE H H 215 8.434 8.434 7.973 0.461 17780 5717 1 9 . 1 1 127 127 THR N N 216 118.728 118.728 116.748 1.980 17780 5718 1 9 . 1 1 127 127 THR HA H 216 3.835 3.835 3.965 -0.130 17780 5719 1 9 . 1 1 127 127 THR CA C 216 67.425 67.425 67.134 0.291 17780 5720 1 9 . 1 1 127 127 THR CB C 216 68.035 68.035 68.317 -0.282 17780 5721 1 9 . 1 1 127 127 THR H H 216 8.097 8.097 8.123 -0.026 17780 5722 1 9 . 1 1 128 128 GLN N N 217 122.368 122.368 120.539 1.829 17780 5723 1 9 . 1 1 128 128 GLN HA H 217 3.662 3.662 4.098 -0.436 17780 5724 1 9 . 1 1 128 128 GLN CA C 217 58.462 58.462 58.498 -0.036 17780 5725 1 9 . 1 1 128 128 GLN CB C 217 28.075 28.075 28.356 -0.281 17780 5726 1 9 . 1 1 128 128 GLN H H 217 8.637 8.637 7.890 0.747 17780 5727 1 9 . 1 1 129 129 TYR N N 218 121.512 121.512 122.500 -0.988 17780 5728 1 9 . 1 1 129 129 TYR HA H 218 2.929 2.929 4.006 -1.077 17780 5729 1 9 . 1 1 129 129 TYR CA C 218 61.904 61.904 61.467 0.438 17780 5730 1 9 . 1 1 129 129 TYR CB C 218 37.075 37.075 38.282 -1.207 17780 5731 1 9 . 1 1 129 129 TYR H H 218 8.705 8.705 8.949 -0.244 17780 5732 1 9 . 1 1 130 130 LYS N N 219 120.801 120.801 118.249 2.552 17780 5733 1 9 . 1 1 130 130 LYS HA H 219 3.667 3.667 3.824 -0.157 17780 5734 1 9 . 1 1 130 130 LYS CA C 219 60.001 60.001 57.351 2.650 17780 5735 1 9 . 1 1 130 130 LYS CB C 219 31.732 31.732 31.550 0.182 17780 5736 1 9 . 1 1 130 130 LYS H H 219 8.232 8.232 8.237 -0.005 17780 5737 1 9 . 1 1 131 131 ARG HA H 220 3.978 3.978 3.956 0.022 17780 5738 1 9 . 1 1 131 131 ARG CA C 220 59.013 59.013 59.290 -0.277 17780 5739 1 9 . 1 1 131 131 ARG CB C 220 30.028 30.028 30.134 -0.106 17780 5740 1 9 . 1 1 132 132 GLU N N 221 119.690 119.690 117.842 1.848 17780 5741 1 9 . 1 1 132 132 GLU HA H 221 4.035 4.035 4.166 -0.131 17780 5742 1 9 . 1 1 132 132 GLU CA C 221 58.006 58.006 58.709 -0.703 17780 5743 1 9 . 1 1 132 132 GLU CB C 221 29.270 29.270 29.807 -0.537 17780 5744 1 9 . 1 1 132 132 GLU H H 221 8.521 8.521 8.288 0.233 17780 5745 1 9 . 1 1 133 133 SER N N 222 115.963 115.963 116.082 -0.119 17780 5746 1 9 . 1 1 133 133 SER HA H 222 3.884 3.884 3.856 0.028 17780 5747 1 9 . 1 1 133 133 SER CA C 222 61.500 61.500 61.498 0.002 17780 5748 1 9 . 1 1 133 133 SER CB C 222 62.207 62.207 62.693 -0.486 17780 5749 1 9 . 1 1 133 133 SER H H 222 8.543 8.543 8.351 0.192 17780 5750 1 9 . 1 1 134 134 GLN N N 223 120.695 120.695 119.875 0.820 17780 5751 1 9 . 1 1 134 134 GLN HA H 223 4.152 4.152 3.300 0.852 17780 5752 1 9 . 1 1 134 134 GLN CA C 223 58.646 58.646 58.363 0.283 17780 5753 1 9 . 1 1 134 134 GLN CB C 223 28.299 28.299 28.382 -0.083 17780 5754 1 9 . 1 1 134 134 GLN H H 223 7.486 7.486 7.928 -0.442 17780 5755 1 9 . 1 1 135 135 ALA N N 224 120.905 120.905 121.184 -0.279 17780 5756 1 9 . 1 1 135 135 ALA HA H 224 4.169 4.169 4.116 0.053 17780 5757 1 9 . 1 1 135 135 ALA CA C 224 54.404 54.404 54.317 0.087 17780 5758 1 9 . 1 1 135 135 ALA CB C 224 18.233 18.233 18.188 0.045 17780 5759 1 9 . 1 1 135 135 ALA H H 224 7.497 7.497 7.169 0.328 17780 5760 1 9 . 1 1 136 136 TYR N N 225 119.969 119.969 120.991 -1.022 17780 5761 1 9 . 1 1 136 136 TYR HA H 225 4.080 4.080 4.100 -0.020 17780 5762 1 9 . 1 1 136 136 TYR CA C 225 61.060 61.060 61.430 -0.370 17780 5763 1 9 . 1 1 136 136 TYR CB C 225 39.008 39.008 38.586 0.422 17780 5764 1 9 . 1 1 136 136 TYR H H 225 8.215 8.215 7.907 0.308 17780 5765 1 9 . 1 1 137 137 TYR N N 226 117.988 117.988 117.186 0.802 17780 5766 1 9 . 1 1 137 137 TYR HA H 226 4.319 4.319 3.994 0.325 17780 5767 1 9 . 1 1 137 137 TYR CA C 226 59.543 59.543 58.702 0.841 17780 5768 1 9 . 1 1 137 137 TYR CB C 226 37.769 37.769 36.564 1.205 17780 5769 1 9 . 1 1 137 137 TYR H H 226 8.022 8.022 8.324 -0.302 17780 5770 1 9 . 1 1 138 138 GLN N N 227 118.911 118.911 117.554 1.357 17780 5771 1 9 . 1 1 138 138 GLN HA H 227 4.189 4.189 4.098 0.091 17780 5772 1 9 . 1 1 138 138 GLN CA C 227 57.002 57.002 57.380 -0.379 17780 5773 1 9 . 1 1 138 138 GLN CB C 227 28.740 28.740 27.557 1.183 17780 5774 1 9 . 1 1 138 138 GLN H H 227 7.838 7.838 7.611 0.227 17780 5775 1 9 . 1 1 139 139 ARG N N 228 119.910 119.910 118.605 1.305 17780 5776 1 9 . 1 1 139 139 ARG HA H 228 4.207 4.207 4.128 0.079 17780 5777 1 9 . 1 1 139 139 ARG CA C 228 57.338 57.338 56.766 0.572 17780 5778 1 9 . 1 1 139 139 ARG CB C 228 30.390 30.390 29.716 0.674 17780 5779 1 9 . 1 1 139 139 ARG H H 228 7.862 7.862 7.786 0.076 17780 5780 1 9 . 1 1 140 140 GLY N N 229 108.627 108.627 106.256 2.371 17780 5781 1 9 . 1 1 140 140 GLY CA C 229 45.477 45.477 44.568 0.909 17780 5782 1 9 . 1 1 140 140 GLY H H 229 8.092 8.092 7.663 0.429 17780 5783 1 9 . 1 1 141 141 SER N N 230 115.141 115.141 115.883 -0.742 17780 5784 1 9 . 1 1 141 141 SER HA H 230 4.330 4.330 4.635 -0.305 17780 5785 1 9 . 1 1 141 141 SER CA C 230 58.650 58.650 57.464 1.186 17780 5786 1 9 . 1 1 141 141 SER CB C 230 63.641 63.641 64.529 -0.888 17780 5787 1 9 . 1 1 141 141 SER H H 230 8.050 8.050 7.530 0.520 17780 5788 1 10 . 1 1 2 2 GLN N N 91 119.729 119.729 119.751 -0.022 17780 5789 1 10 . 1 1 2 2 GLN HA H 91 4.407 4.407 4.601 -0.194 17780 5790 1 10 . 1 1 2 2 GLN CA C 91 55.969 55.969 55.184 0.785 17780 5791 1 10 . 1 1 2 2 GLN CB C 91 29.576 29.576 30.688 -1.112 17780 5792 1 10 . 1 1 2 2 GLN H H 91 8.267 8.267 8.613 -0.346 17780 5793 1 10 . 1 1 3 3 GLY N N 92 110.081 110.081 109.266 0.815 17780 5794 1 10 . 1 1 3 3 GLY CA C 92 45.115 45.115 45.254 -0.139 17780 5795 1 10 . 1 1 3 3 GLY H H 92 8.515 8.515 8.675 -0.160 17780 5796 1 10 . 1 1 4 4 GLY N N 93 108.748 108.748 106.852 1.896 17780 5797 1 10 . 1 1 4 4 GLY CA C 93 45.228 45.228 45.044 0.184 17780 5798 1 10 . 1 1 4 4 GLY H H 93 8.331 8.331 7.528 0.803 17780 5799 1 10 . 1 1 5 5 GLY N N 94 108.857 108.857 107.067 1.790 17780 5800 1 10 . 1 1 5 5 GLY CA C 94 45.172 45.172 45.902 -0.730 17780 5801 1 10 . 1 1 5 5 GLY H H 94 8.362 8.362 8.477 -0.115 17780 5802 1 10 . 1 1 6 6 THR N N 95 113.538 113.538 115.036 -1.498 17780 5803 1 10 . 1 1 6 6 THR HA H 95 4.282 4.282 4.175 0.107 17780 5804 1 10 . 1 1 6 6 THR CA C 95 61.906 61.906 62.126 -0.220 17780 5805 1 10 . 1 1 6 6 THR CB C 95 69.711 69.711 66.423 3.288 17780 5806 1 10 . 1 1 6 6 THR H H 95 8.129 8.129 8.132 -0.003 17780 5807 1 10 . 1 1 7 7 HIS N N 96 121.027 121.027 119.672 1.355 17780 5808 1 10 . 1 1 7 7 HIS HA H 96 4.713 4.713 4.818 -0.105 17780 5809 1 10 . 1 1 7 7 HIS CA C 96 55.169 55.169 55.396 -0.227 17780 5810 1 10 . 1 1 7 7 HIS CB C 96 29.575 29.575 31.027 -1.452 17780 5811 1 10 . 1 1 7 7 HIS H H 96 8.497 8.497 7.696 0.801 17780 5812 1 10 . 1 1 8 8 SER N N 97 117.031 117.031 115.791 1.240 17780 5813 1 10 . 1 1 8 8 SER HA H 97 4.405 4.405 4.714 -0.309 17780 5814 1 10 . 1 1 8 8 SER CA C 97 58.379 58.379 58.020 0.359 17780 5815 1 10 . 1 1 8 8 SER CB C 97 63.535 63.535 64.612 -1.077 17780 5816 1 10 . 1 1 8 8 SER H H 97 8.275 8.275 8.491 -0.216 17780 5817 1 10 . 1 1 9 9 GLN N N 98 122.084 122.084 121.134 0.950 17780 5818 1 10 . 1 1 9 9 GLN HA H 98 4.279 4.279 4.808 -0.529 17780 5819 1 10 . 1 1 9 9 GLN CA C 98 55.970 55.970 55.656 0.314 17780 5820 1 10 . 1 1 9 9 GLN CB C 98 29.157 29.157 31.609 -2.452 17780 5821 1 10 . 1 1 9 9 GLN H H 98 8.462 8.462 8.984 -0.522 17780 5822 1 10 . 1 1 10 10 TRP N N 99 121.630 121.630 124.758 -3.128 17780 5823 1 10 . 1 1 10 10 TRP HA H 99 4.676 4.676 5.085 -0.409 17780 5824 1 10 . 1 1 10 10 TRP CA C 99 57.046 57.046 57.139 -0.093 17780 5825 1 10 . 1 1 10 10 TRP CB C 99 29.440 29.440 30.945 -1.504 17780 5826 1 10 . 1 1 10 10 TRP H H 99 8.086 8.086 8.751 -0.665 17780 5827 1 10 . 1 1 11 11 ASN N N 100 120.591 120.591 121.857 -1.266 17780 5828 1 10 . 1 1 11 11 ASN HA H 100 4.602 4.602 4.352 0.250 17780 5829 1 10 . 1 1 11 11 ASN CA C 100 52.675 52.675 51.498 1.177 17780 5830 1 10 . 1 1 11 11 ASN CB C 100 38.781 38.781 40.302 -1.521 17780 5831 1 10 . 1 1 11 11 ASN H H 100 8.095 8.095 7.724 0.371 17780 5832 1 10 . 1 1 12 12 LYS N N 101 122.656 122.656 119.943 2.713 17780 5833 1 10 . 1 1 12 12 LYS HA H 101 4.435 4.435 3.900 0.535 17780 5834 1 10 . 1 1 12 12 LYS CA C 101 54.139 54.139 54.439 -0.300 17780 5835 1 10 . 1 1 12 12 LYS CB C 101 32.474 32.474 31.937 0.537 17780 5836 1 10 . 1 1 12 12 LYS H H 101 7.985 7.985 8.136 -0.151 17780 5837 1 10 . 1 1 13 13 PRO HA H 102 4.425 4.425 4.411 0.014 17780 5838 1 10 . 1 1 13 13 PRO CA C 102 63.065 63.065 62.553 0.512 17780 5839 1 10 . 1 1 13 13 PRO CB C 102 32.056 32.056 32.477 -0.421 17780 5840 1 10 . 1 1 14 14 SER N N 103 116.881 116.881 114.127 2.754 17780 5841 1 10 . 1 1 14 14 SER HA H 103 4.430 4.430 4.302 0.128 17780 5842 1 10 . 1 1 14 14 SER CA C 103 57.973 57.973 58.570 -0.597 17780 5843 1 10 . 1 1 14 14 SER CB C 103 63.669 63.669 63.687 -0.018 17780 5844 1 10 . 1 1 14 14 SER H H 103 8.420 8.420 8.275 0.145 17780 5845 1 10 . 1 1 15 15 LYS N N 104 124.163 124.163 120.642 3.521 17780 5846 1 10 . 1 1 15 15 LYS HA H 104 4.620 4.620 4.778 -0.158 17780 5847 1 10 . 1 1 15 15 LYS CA C 104 54.160 54.160 54.114 0.046 17780 5848 1 10 . 1 1 15 15 LYS CB C 104 32.606 32.606 33.140 -0.534 17780 5849 1 10 . 1 1 15 15 LYS H H 104 8.321 8.321 8.628 -0.307 17780 5850 1 10 . 1 1 16 16 PRO HA H 105 4.412 4.412 4.473 -0.061 17780 5851 1 10 . 1 1 16 16 PRO CA C 105 63.012 63.012 62.697 0.315 17780 5852 1 10 . 1 1 16 16 PRO CB C 105 32.152 32.152 32.632 -0.480 17780 5853 1 10 . 1 1 17 17 LYS N N 106 122.072 122.072 120.479 1.593 17780 5854 1 10 . 1 1 17 17 LYS HA H 106 4.338 4.338 4.531 -0.193 17780 5855 1 10 . 1 1 17 17 LYS CA C 106 56.299 56.299 55.900 0.399 17780 5856 1 10 . 1 1 17 17 LYS CB C 106 32.928 32.928 33.051 -0.123 17780 5857 1 10 . 1 1 17 17 LYS H H 106 8.516 8.516 8.350 0.166 17780 5858 1 10 . 1 1 18 18 THR N N 107 115.252 115.252 113.708 1.544 17780 5859 1 10 . 1 1 18 18 THR HA H 107 4.323 4.323 4.438 -0.115 17780 5860 1 10 . 1 1 18 18 THR CA C 107 61.523 61.523 61.994 -0.471 17780 5861 1 10 . 1 1 18 18 THR CB C 107 69.778 69.778 69.123 0.655 17780 5862 1 10 . 1 1 18 18 THR H H 107 8.133 8.133 8.695 -0.562 17780 5863 1 10 . 1 1 19 19 ASN N N 108 121.344 121.344 120.388 0.956 17780 5864 1 10 . 1 1 19 19 ASN HA H 108 4.712 4.712 4.697 0.015 17780 5865 1 10 . 1 1 19 19 ASN CA C 108 53.019 53.019 53.775 -0.756 17780 5866 1 10 . 1 1 19 19 ASN CB C 108 38.728 38.728 37.549 1.179 17780 5867 1 10 . 1 1 19 19 ASN H H 108 8.537 8.537 8.337 0.200 17780 5868 1 10 . 1 1 20 20 MET N N 109 121.309 121.309 118.057 3.252 17780 5869 1 10 . 1 1 20 20 MET HA H 109 4.437 4.437 4.625 -0.189 17780 5870 1 10 . 1 1 20 20 MET CA C 109 55.446 55.446 56.003 -0.557 17780 5871 1 10 . 1 1 20 20 MET CB C 109 32.809 32.809 31.265 1.544 17780 5872 1 10 . 1 1 20 20 MET H H 109 8.346 8.346 7.923 0.423 17780 5873 1 10 . 1 1 21 21 LYS N N 110 122.292 122.292 118.681 3.611 17780 5874 1 10 . 1 1 21 21 LYS HA H 110 4.237 4.237 4.046 0.191 17780 5875 1 10 . 1 1 21 21 LYS CA C 110 56.394 56.394 57.292 -0.898 17780 5876 1 10 . 1 1 21 21 LYS CB C 110 32.923 32.923 32.696 0.227 17780 5877 1 10 . 1 1 21 21 LYS H H 110 8.300 8.300 8.244 0.056 17780 5878 1 10 . 1 1 22 22 HIS N N 111 120.193 120.193 115.761 4.432 17780 5879 1 10 . 1 1 22 22 HIS HA H 111 4.642 4.642 4.775 -0.133 17780 5880 1 10 . 1 1 22 22 HIS CA C 111 55.391 55.391 55.216 0.175 17780 5881 1 10 . 1 1 22 22 HIS CB C 111 29.501 29.501 32.171 -2.670 17780 5882 1 10 . 1 1 22 22 HIS H H 111 8.406 8.406 7.715 0.691 17780 5883 1 10 . 1 1 23 23 MET N N 112 122.529 122.529 123.040 -0.511 17780 5884 1 10 . 1 1 23 23 MET HA H 112 4.464 4.464 4.790 -0.326 17780 5885 1 10 . 1 1 23 23 MET CA C 112 55.125 55.125 54.920 0.205 17780 5886 1 10 . 1 1 23 23 MET CB C 112 32.930 32.930 32.785 0.145 17780 5887 1 10 . 1 1 23 23 MET H H 112 8.326 8.326 8.709 -0.383 17780 5888 1 10 . 1 1 24 24 ALA N N 113 125.642 125.642 121.505 4.137 17780 5889 1 10 . 1 1 24 24 ALA HA H 113 4.315 4.315 4.119 0.196 17780 5890 1 10 . 1 1 24 24 ALA CA C 113 52.521 52.521 52.811 -0.290 17780 5891 1 10 . 1 1 24 24 ALA CB C 113 19.181 19.181 17.475 1.706 17780 5892 1 10 . 1 1 24 24 ALA H H 113 8.370 8.370 8.383 -0.013 17780 5893 1 10 . 1 1 25 25 GLY N N 114 108.473 108.473 106.983 1.490 17780 5894 1 10 . 1 1 25 25 GLY CA C 114 45.175 45.175 44.701 0.474 17780 5895 1 10 . 1 1 25 25 GLY H H 114 8.373 8.373 8.462 -0.089 17780 5896 1 10 . 1 1 26 26 ALA N N 115 123.872 123.872 123.586 0.286 17780 5897 1 10 . 1 1 26 26 ALA HA H 115 4.316 4.316 4.287 0.029 17780 5898 1 10 . 1 1 26 26 ALA CA C 115 52.496 52.496 52.608 -0.112 17780 5899 1 10 . 1 1 26 26 ALA CB C 115 19.181 19.181 19.659 -0.478 17780 5900 1 10 . 1 1 26 26 ALA H H 115 8.134 8.134 8.157 -0.023 17780 5901 1 10 . 1 1 27 27 ALA N N 116 123.172 123.172 120.957 2.215 17780 5902 1 10 . 1 1 27 27 ALA HA H 116 4.287 4.287 4.509 -0.222 17780 5903 1 10 . 1 1 27 27 ALA CA C 116 52.464 52.464 51.335 1.129 17780 5904 1 10 . 1 1 27 27 ALA CB C 116 19.180 19.180 20.777 -1.597 17780 5905 1 10 . 1 1 27 27 ALA H H 116 8.268 8.268 7.717 0.551 17780 5906 1 10 . 1 1 28 28 ALA N N 117 123.253 123.253 123.000 0.253 17780 5907 1 10 . 1 1 28 28 ALA HA H 117 4.277 4.277 4.662 -0.385 17780 5908 1 10 . 1 1 28 28 ALA CA C 117 52.383 52.383 52.415 -0.032 17780 5909 1 10 . 1 1 28 28 ALA CB C 117 19.156 19.156 18.915 0.241 17780 5910 1 10 . 1 1 28 28 ALA H H 117 8.169 8.169 8.344 -0.175 17780 5911 1 10 . 1 1 29 29 ALA N N 118 123.225 123.225 125.885 -2.660 17780 5912 1 10 . 1 1 29 29 ALA HA H 118 4.282 4.282 4.408 -0.126 17780 5913 1 10 . 1 1 29 29 ALA CA C 118 52.469 52.469 51.955 0.514 17780 5914 1 10 . 1 1 29 29 ALA CB C 118 19.129 19.129 20.233 -1.104 17780 5915 1 10 . 1 1 29 29 ALA H H 118 8.204 8.204 7.867 0.337 17780 5916 1 10 . 1 1 30 30 GLY N N 119 107.906 107.906 109.636 -1.730 17780 5917 1 10 . 1 1 30 30 GLY CA C 119 45.089 45.089 45.721 -0.632 17780 5918 1 10 . 1 1 30 30 GLY H H 119 8.271 8.271 8.550 -0.279 17780 5919 1 10 . 1 1 31 31 ALA N N 120 123.540 123.540 127.086 -3.546 17780 5920 1 10 . 1 1 31 31 ALA HA H 120 4.339 4.339 4.294 0.045 17780 5921 1 10 . 1 1 31 31 ALA CA C 120 52.282 52.282 52.096 0.186 17780 5922 1 10 . 1 1 31 31 ALA CB C 120 19.432 19.432 18.874 0.558 17780 5923 1 10 . 1 1 31 31 ALA H H 120 8.039 8.039 7.790 0.249 17780 5924 1 10 . 1 1 32 32 VAL N N 121 119.579 119.579 116.191 3.388 17780 5925 1 10 . 1 1 32 32 VAL HA H 121 4.117 4.117 3.745 0.372 17780 5926 1 10 . 1 1 32 32 VAL CA C 121 62.142 62.142 62.498 -0.356 17780 5927 1 10 . 1 1 32 32 VAL CB C 121 32.673 32.673 29.769 2.904 17780 5928 1 10 . 1 1 32 32 VAL H H 121 8.109 8.109 8.460 -0.351 17780 5929 1 10 . 1 1 33 33 VAL N N 122 124.655 124.655 121.207 3.448 17780 5930 1 10 . 1 1 33 33 VAL HA H 122 4.081 4.081 3.922 0.159 17780 5931 1 10 . 1 1 33 33 VAL CA C 122 62.430 62.430 63.751 -1.321 17780 5932 1 10 . 1 1 33 33 VAL CB C 122 32.675 32.675 32.319 0.356 17780 5933 1 10 . 1 1 33 33 VAL H H 122 8.262 8.262 7.432 0.830 17780 5934 1 10 . 1 1 34 34 GLY N N 123 113.165 113.165 112.281 0.884 17780 5935 1 10 . 1 1 34 34 GLY CA C 123 45.264 45.264 44.940 0.324 17780 5936 1 10 . 1 1 34 34 GLY H H 123 8.528 8.528 8.781 -0.253 17780 5937 1 10 . 1 1 35 35 GLY N N 124 108.440 108.440 108.029 0.411 17780 5938 1 10 . 1 1 35 35 GLY CA C 124 45.264 45.264 44.942 0.322 17780 5939 1 10 . 1 1 35 35 GLY H H 124 8.245 8.245 8.385 -0.140 17780 5940 1 10 . 1 1 36 36 LEU N N 125 121.679 121.679 121.472 0.207 17780 5941 1 10 . 1 1 36 36 LEU HA H 125 4.340 4.340 4.247 0.093 17780 5942 1 10 . 1 1 36 36 LEU CA C 125 54.808 54.808 56.039 -1.231 17780 5943 1 10 . 1 1 36 36 LEU CB C 125 42.417 42.417 41.994 0.423 17780 5944 1 10 . 1 1 36 36 LEU H H 125 8.233 8.233 7.786 0.447 17780 5945 1 10 . 1 1 37 37 GLY N N 126 109.818 109.818 107.156 2.662 17780 5946 1 10 . 1 1 37 37 GLY CA C 126 46.266 46.266 45.713 0.553 17780 5947 1 10 . 1 1 37 37 GLY H H 126 8.511 8.511 8.454 0.057 17780 5948 1 10 . 1 1 38 38 GLY N N 127 109.485 109.485 109.701 -0.216 17780 5949 1 10 . 1 1 38 38 GLY CA C 127 45.029 45.029 45.464 -0.435 17780 5950 1 10 . 1 1 38 38 GLY H H 127 8.374 8.374 7.957 0.417 17780 5951 1 10 . 1 1 39 39 TYR N N 128 117.683 117.683 121.265 -3.582 17780 5952 1 10 . 1 1 39 39 TYR HA H 128 4.501 4.501 4.617 -0.116 17780 5953 1 10 . 1 1 39 39 TYR CA C 128 58.050 58.050 56.862 1.188 17780 5954 1 10 . 1 1 39 39 TYR CB C 128 40.362 40.362 41.498 -1.136 17780 5955 1 10 . 1 1 39 39 TYR H H 128 7.746 7.746 8.185 -0.439 17780 5956 1 10 . 1 1 40 40 MET N N 129 120.902 120.902 116.536 4.366 17780 5957 1 10 . 1 1 40 40 MET HA H 129 4.534 4.534 4.710 -0.176 17780 5958 1 10 . 1 1 40 40 MET CA C 129 53.516 53.516 53.460 0.056 17780 5959 1 10 . 1 1 40 40 MET CB C 129 34.851 34.851 37.496 -2.645 17780 5960 1 10 . 1 1 40 40 MET H H 129 9.005 9.005 8.648 0.357 17780 5961 1 10 . 1 1 41 41 LEU N N 130 121.514 121.514 116.768 4.746 17780 5962 1 10 . 1 1 41 41 LEU HA H 130 4.464 4.464 5.432 -0.968 17780 5963 1 10 . 1 1 41 41 LEU CA C 130 53.359 53.359 52.849 0.510 17780 5964 1 10 . 1 1 41 41 LEU CB C 130 43.482 43.482 45.827 -2.345 17780 5965 1 10 . 1 1 41 41 LEU H H 130 8.034 8.034 8.155 -0.121 17780 5966 1 10 . 1 1 42 42 GLY N N 131 114.895 114.895 108.523 6.372 17780 5967 1 10 . 1 1 42 42 GLY CA C 131 44.698 44.698 44.953 -0.255 17780 5968 1 10 . 1 1 42 42 GLY H H 131 9.375 9.375 8.587 0.788 17780 5969 1 10 . 1 1 43 43 SER N N 132 113.692 113.692 117.359 -3.667 17780 5970 1 10 . 1 1 43 43 SER HA H 132 4.429 4.429 4.414 0.015 17780 5971 1 10 . 1 1 43 43 SER CA C 132 58.191 58.191 58.745 -0.554 17780 5972 1 10 . 1 1 43 43 SER CB C 132 63.938 63.938 63.486 0.452 17780 5973 1 10 . 1 1 43 43 SER H H 132 8.345 8.345 8.304 0.041 17780 5974 1 10 . 1 1 44 44 ALA N N 133 125.505 125.505 123.633 1.872 17780 5975 1 10 . 1 1 44 44 ALA HA H 133 4.437 4.437 4.604 -0.167 17780 5976 1 10 . 1 1 44 44 ALA CA C 133 52.936 52.936 51.937 0.999 17780 5977 1 10 . 1 1 44 44 ALA CB C 133 18.412 18.412 20.746 -2.334 17780 5978 1 10 . 1 1 44 44 ALA H H 133 8.735 8.735 8.143 0.592 17780 5979 1 10 . 1 1 45 45 MET N N 134 120.707 120.707 121.799 -1.092 17780 5980 1 10 . 1 1 45 45 MET HA H 134 4.756 4.756 4.932 -0.176 17780 5981 1 10 . 1 1 45 45 MET CA C 134 54.242 54.242 54.398 -0.156 17780 5982 1 10 . 1 1 45 45 MET CB C 134 36.727 36.727 36.095 0.632 17780 5983 1 10 . 1 1 45 45 MET H H 134 8.686 8.686 8.737 -0.051 17780 5984 1 10 . 1 1 46 46 SER N N 135 116.235 116.235 115.015 1.220 17780 5985 1 10 . 1 1 46 46 SER HA H 135 4.375 4.375 4.687 -0.312 17780 5986 1 10 . 1 1 46 46 SER CA C 135 58.410 58.410 58.384 0.026 17780 5987 1 10 . 1 1 46 46 SER CB C 135 63.016 63.016 64.083 -1.067 17780 5988 1 10 . 1 1 46 46 SER H H 135 8.397 8.397 8.320 0.077 17780 5989 1 10 . 1 1 47 47 ARG N N 136 126.632 126.632 124.960 1.672 17780 5990 1 10 . 1 1 47 47 ARG HA H 136 4.406 4.406 4.774 -0.368 17780 5991 1 10 . 1 1 47 47 ARG CA C 136 54.783 54.783 53.808 0.975 17780 5992 1 10 . 1 1 47 47 ARG CB C 136 29.040 29.040 29.726 -0.686 17780 5993 1 10 . 1 1 47 47 ARG H H 136 8.668 8.668 8.655 0.013 17780 5994 1 10 . 1 1 48 48 PRO HA H 137 4.422 4.422 4.587 -0.165 17780 5995 1 10 . 1 1 48 48 PRO CA C 137 62.327 62.327 62.663 -0.336 17780 5996 1 10 . 1 1 48 48 PRO CB C 137 32.269 32.269 32.696 -0.427 17780 5997 1 10 . 1 1 49 49 ILE N N 138 122.521 122.521 120.261 2.260 17780 5998 1 10 . 1 1 49 49 ILE HA H 138 4.148 4.148 4.087 0.061 17780 5999 1 10 . 1 1 49 49 ILE CA C 138 60.916 60.916 60.674 0.242 17780 6000 1 10 . 1 1 49 49 ILE CB C 138 36.234 36.234 38.925 -2.691 17780 6001 1 10 . 1 1 49 49 ILE H H 138 8.603 8.603 8.104 0.499 17780 6002 1 10 . 1 1 50 50 ILE N N 139 126.683 126.683 125.694 0.989 17780 6003 1 10 . 1 1 50 50 ILE HA H 139 3.927 3.927 3.811 0.116 17780 6004 1 10 . 1 1 50 50 ILE CA C 139 58.700 58.700 58.537 0.163 17780 6005 1 10 . 1 1 50 50 ILE CB C 139 39.345 39.345 41.096 -1.751 17780 6006 1 10 . 1 1 50 50 ILE H H 139 6.514 6.514 7.983 -1.469 17780 6007 1 10 . 1 1 51 51 HIS N N 140 121.997 121.997 120.105 1.892 17780 6008 1 10 . 1 1 51 51 HIS HA H 140 4.918 4.918 4.409 0.509 17780 6009 1 10 . 1 1 51 51 HIS CA C 140 54.065 54.065 55.713 -1.648 17780 6010 1 10 . 1 1 51 51 HIS CB C 140 29.466 29.466 28.357 1.109 17780 6011 1 10 . 1 1 51 51 HIS H H 140 8.203 8.203 7.425 0.778 17780 6012 1 10 . 1 1 52 52 PHE N N 141 124.334 124.334 122.953 1.381 17780 6013 1 10 . 1 1 52 52 PHE HA H 141 4.348 4.348 4.593 -0.245 17780 6014 1 10 . 1 1 52 52 PHE CA C 141 59.251 59.251 57.767 1.484 17780 6015 1 10 . 1 1 52 52 PHE CB C 141 41.448 41.448 40.025 1.423 17780 6016 1 10 . 1 1 52 52 PHE H H 141 10.160 10.160 8.310 1.850 17780 6017 1 10 . 1 1 53 53 GLY N N 142 108.368 108.368 106.409 1.959 17780 6018 1 10 . 1 1 53 53 GLY CA C 142 45.516 45.516 45.029 0.487 17780 6019 1 10 . 1 1 53 53 GLY H H 142 8.984 8.984 8.157 0.827 17780 6020 1 10 . 1 1 54 54 SER N N 143 111.819 111.819 115.171 -3.352 17780 6021 1 10 . 1 1 54 54 SER HA H 143 4.810 4.810 4.587 0.223 17780 6022 1 10 . 1 1 54 54 SER CA C 143 56.498 56.498 56.747 -0.249 17780 6023 1 10 . 1 1 54 54 SER CB C 143 65.964 65.964 64.778 1.186 17780 6024 1 10 . 1 1 54 54 SER H H 143 7.334 7.334 7.775 -0.441 17780 6025 1 10 . 1 1 55 55 ASP N N 144 124.249 124.249 121.961 2.288 17780 6026 1 10 . 1 1 55 55 ASP HA H 144 4.500 4.500 4.798 -0.298 17780 6027 1 10 . 1 1 55 55 ASP CA C 144 57.493 57.493 56.482 1.011 17780 6028 1 10 . 1 1 55 55 ASP CB C 144 40.664 40.664 40.721 -0.057 17780 6029 1 10 . 1 1 55 55 ASP H H 144 9.014 9.014 8.766 0.248 17780 6030 1 10 . 1 1 56 56 TYR N N 145 118.991 118.991 116.372 2.619 17780 6031 1 10 . 1 1 56 56 TYR HA H 145 4.196 4.196 4.625 -0.428 17780 6032 1 10 . 1 1 56 56 TYR CA C 145 61.351 61.351 59.251 2.100 17780 6033 1 10 . 1 1 56 56 TYR CB C 145 38.075 38.075 37.634 0.441 17780 6034 1 10 . 1 1 56 56 TYR H H 145 8.551 8.551 7.568 0.983 17780 6035 1 10 . 1 1 57 57 GLU N N 146 119.217 119.217 120.545 -1.328 17780 6036 1 10 . 1 1 57 57 GLU HA H 146 3.563 3.563 4.486 -0.923 17780 6037 1 10 . 1 1 57 57 GLU CA C 146 59.921 59.921 59.332 0.589 17780 6038 1 10 . 1 1 57 57 GLU CB C 146 30.297 30.297 30.012 0.285 17780 6039 1 10 . 1 1 57 57 GLU H H 146 7.741 7.741 7.462 0.279 17780 6040 1 10 . 1 1 58 58 ASP N N 147 119.565 119.565 118.696 0.869 17780 6041 1 10 . 1 1 58 58 ASP HA H 147 4.498 4.498 4.689 -0.191 17780 6042 1 10 . 1 1 58 58 ASP CA C 147 58.185 58.185 57.178 1.007 17780 6043 1 10 . 1 1 58 58 ASP CB C 147 40.598 40.598 40.770 -0.172 17780 6044 1 10 . 1 1 58 58 ASP H H 147 8.139 8.139 8.239 -0.100 17780 6045 1 10 . 1 1 59 59 ARG N N 148 120.296 120.296 118.771 1.525 17780 6046 1 10 . 1 1 59 59 ARG HA H 148 4.004 4.004 4.109 -0.105 17780 6047 1 10 . 1 1 59 59 ARG CA C 148 59.393 59.393 58.688 0.706 17780 6048 1 10 . 1 1 59 59 ARG CB C 148 29.910 29.910 29.849 0.062 17780 6049 1 10 . 1 1 59 59 ARG H H 148 8.181 8.181 7.737 0.444 17780 6050 1 10 . 1 1 60 60 TYR N N 149 121.152 121.152 121.080 0.072 17780 6051 1 10 . 1 1 60 60 TYR HA H 149 3.819 3.819 4.289 -0.470 17780 6052 1 10 . 1 1 60 60 TYR CA C 149 62.195 62.195 59.581 2.614 17780 6053 1 10 . 1 1 60 60 TYR CB C 149 37.808 37.808 38.406 -0.598 17780 6054 1 10 . 1 1 60 60 TYR H H 149 8.333 8.333 7.557 0.776 17780 6055 1 10 . 1 1 61 61 TYR N N 150 120.365 120.365 121.366 -1.001 17780 6056 1 10 . 1 1 61 61 TYR HA H 150 4.122 4.122 3.420 0.702 17780 6057 1 10 . 1 1 61 61 TYR CA C 150 62.969 62.969 60.715 2.255 17780 6058 1 10 . 1 1 61 61 TYR CB C 150 38.207 38.207 37.850 0.357 17780 6059 1 10 . 1 1 61 61 TYR H H 150 8.942 8.942 7.918 1.024 17780 6060 1 10 . 1 1 62 62 ARG N N 151 117.982 117.982 116.343 1.639 17780 6061 1 10 . 1 1 62 62 ARG HA H 151 3.938 3.938 3.408 0.530 17780 6062 1 10 . 1 1 62 62 ARG CA C 151 59.940 59.940 58.400 1.540 17780 6063 1 10 . 1 1 62 62 ARG CB C 151 29.731 29.731 29.588 0.143 17780 6064 1 10 . 1 1 62 62 ARG H H 151 7.938 7.938 7.463 0.475 17780 6065 1 10 . 1 1 63 63 GLU N N 152 116.389 116.389 118.510 -2.121 17780 6066 1 10 . 1 1 63 63 GLU HA H 152 4.059 4.059 4.137 -0.078 17780 6067 1 10 . 1 1 63 63 GLU CA C 152 57.990 57.990 59.246 -1.256 17780 6068 1 10 . 1 1 63 63 GLU CB C 152 29.915 29.915 29.579 0.336 17780 6069 1 10 . 1 1 63 63 GLU H H 152 8.068 8.068 7.971 0.097 17780 6070 1 10 . 1 1 64 64 ASN N N 153 114.690 114.690 115.883 -1.193 17780 6071 1 10 . 1 1 64 64 ASN HA H 153 4.406 4.406 4.448 -0.042 17780 6072 1 10 . 1 1 64 64 ASN CA C 153 54.814 54.814 53.958 0.856 17780 6073 1 10 . 1 1 64 64 ASN CB C 153 41.178 41.178 37.998 3.180 17780 6074 1 10 . 1 1 64 64 ASN H H 153 7.525 7.525 7.347 0.178 17780 6075 1 10 . 1 1 65 65 MET N N 154 119.058 119.058 121.653 -2.595 17780 6076 1 10 . 1 1 65 65 MET HA H 154 3.417 3.417 3.470 -0.053 17780 6077 1 10 . 1 1 65 65 MET CA C 154 59.193 59.193 58.536 0.657 17780 6078 1 10 . 1 1 65 65 MET CB C 154 30.258 30.258 31.717 -1.459 17780 6079 1 10 . 1 1 65 65 MET H H 154 7.993 7.993 7.195 0.798 17780 6080 1 10 . 1 1 66 66 HIS N N 155 116.083 116.083 116.800 -0.717 17780 6081 1 10 . 1 1 66 66 HIS HA H 155 4.208 4.208 4.212 -0.004 17780 6082 1 10 . 1 1 66 66 HIS CA C 155 57.382 57.382 59.300 -1.918 17780 6083 1 10 . 1 1 66 66 HIS CB C 155 28.955 28.955 29.302 -0.347 17780 6084 1 10 . 1 1 66 66 HIS H H 155 7.988 7.988 7.517 0.471 17780 6085 1 10 . 1 1 67 67 ARG N N 156 118.993 118.993 117.175 1.818 17780 6086 1 10 . 1 1 67 67 ARG HA H 156 4.133 4.133 4.304 -0.171 17780 6087 1 10 . 1 1 67 67 ARG CA C 156 56.135 56.135 57.268 -1.133 17780 6088 1 10 . 1 1 67 67 ARG CB C 156 30.521 30.521 30.502 0.019 17780 6089 1 10 . 1 1 67 67 ARG H H 156 7.488 7.488 7.509 -0.021 17780 6090 1 10 . 1 1 68 68 TYR N N 157 121.321 121.321 119.514 1.807 17780 6091 1 10 . 1 1 68 68 TYR HA H 157 4.991 4.991 4.865 0.126 17780 6092 1 10 . 1 1 68 68 TYR CA C 157 52.644 52.644 54.025 -1.381 17780 6093 1 10 . 1 1 68 68 TYR CB C 157 34.873 34.873 37.659 -2.786 17780 6094 1 10 . 1 1 68 68 TYR H H 157 7.433 7.433 7.447 -0.014 17780 6095 1 10 . 1 1 69 69 PRO HA H 158 4.338 4.338 4.475 -0.137 17780 6096 1 10 . 1 1 69 69 PRO CA C 158 63.651 63.651 62.751 0.900 17780 6097 1 10 . 1 1 69 69 PRO CB C 158 32.005 32.005 33.206 -1.201 17780 6098 1 10 . 1 1 70 70 ASN N N 159 116.696 116.696 116.608 0.088 17780 6099 1 10 . 1 1 70 70 ASN HA H 159 4.690 4.690 4.704 -0.014 17780 6100 1 10 . 1 1 70 70 ASN CA C 159 51.997 51.997 53.127 -1.129 17780 6101 1 10 . 1 1 70 70 ASN CB C 159 38.375 38.375 39.605 -1.230 17780 6102 1 10 . 1 1 70 70 ASN H H 159 8.673 8.673 8.636 0.037 17780 6103 1 10 . 1 1 71 71 GLN N N 160 114.313 114.313 117.714 -3.401 17780 6104 1 10 . 1 1 71 71 GLN HA H 160 4.523 4.523 4.729 -0.206 17780 6105 1 10 . 1 1 71 71 GLN CA C 160 54.286 54.286 54.497 -0.211 17780 6106 1 10 . 1 1 71 71 GLN CB C 160 32.975 32.975 33.109 -0.134 17780 6107 1 10 . 1 1 71 71 GLN H H 160 7.319 7.319 7.691 -0.372 17780 6108 1 10 . 1 1 72 72 VAL N N 161 112.569 112.569 115.501 -2.932 17780 6109 1 10 . 1 1 72 72 VAL HA H 161 4.927 4.927 4.500 0.427 17780 6110 1 10 . 1 1 72 72 VAL CA C 161 58.651 58.651 61.132 -2.481 17780 6111 1 10 . 1 1 72 72 VAL CB C 161 33.812 33.812 33.973 -0.161 17780 6112 1 10 . 1 1 72 72 VAL H H 161 8.477 8.477 8.261 0.216 17780 6113 1 10 . 1 1 73 73 TYR N N 162 121.525 121.525 125.717 -4.192 17780 6114 1 10 . 1 1 73 73 TYR HA H 162 5.507 5.507 5.455 0.052 17780 6115 1 10 . 1 1 73 73 TYR CA C 162 57.133 57.133 56.196 0.937 17780 6116 1 10 . 1 1 73 73 TYR CB C 162 41.970 41.970 40.842 1.128 17780 6117 1 10 . 1 1 73 73 TYR H H 162 8.490 8.490 8.559 -0.069 17780 6118 1 10 . 1 1 74 74 TYR N N 163 111.081 111.081 120.795 -9.714 17780 6119 1 10 . 1 1 74 74 TYR HA H 163 4.758 4.758 5.208 -0.450 17780 6120 1 10 . 1 1 74 74 TYR CA C 163 55.367 55.367 56.660 -1.293 17780 6121 1 10 . 1 1 74 74 TYR CB C 163 40.401 40.401 40.319 0.082 17780 6122 1 10 . 1 1 74 74 TYR H H 163 8.593 8.593 8.736 -0.143 17780 6123 1 10 . 1 1 76 76 PRO HA H 165 4.490 4.490 4.495 -0.005 17780 6124 1 10 . 1 1 76 76 PRO CA C 165 62.967 62.967 62.741 0.226 17780 6125 1 10 . 1 1 76 76 PRO CB C 165 32.372 32.372 32.226 0.146 17780 6126 1 10 . 1 1 77 77 MET N N 166 121.408 121.408 115.232 6.176 17780 6127 1 10 . 1 1 77 77 MET HA H 166 4.438 4.438 3.841 0.597 17780 6128 1 10 . 1 1 77 77 MET CA C 166 57.081 57.081 56.050 1.031 17780 6129 1 10 . 1 1 77 77 MET CB C 166 32.165 32.165 31.366 0.799 17780 6130 1 10 . 1 1 77 77 MET H H 166 9.013 9.013 8.606 0.407 17780 6131 1 10 . 1 1 78 78 ASP N N 167 119.933 119.933 119.476 0.457 17780 6132 1 10 . 1 1 78 78 ASP HA H 167 4.754 4.754 4.691 0.063 17780 6133 1 10 . 1 1 78 78 ASP CA C 167 52.485 52.485 53.798 -1.313 17780 6134 1 10 . 1 1 78 78 ASP CB C 167 38.802 38.802 41.023 -2.221 17780 6135 1 10 . 1 1 78 78 ASP H H 167 8.176 8.176 8.359 -0.183 17780 6136 1 10 . 1 1 79 79 GLU N N 168 116.934 116.934 117.527 -0.593 17780 6137 1 10 . 1 1 79 79 GLU HA H 168 4.308 4.308 4.441 -0.133 17780 6138 1 10 . 1 1 79 79 GLU CA C 168 58.638 58.638 54.326 4.312 17780 6139 1 10 . 1 1 79 79 GLU CB C 168 29.185 29.185 31.683 -2.498 17780 6140 1 10 . 1 1 79 79 GLU H H 168 8.332 8.332 7.442 0.890 17780 6141 1 10 . 1 1 81 81 SER N N 170 116.603 116.603 114.780 1.823 17780 6142 1 10 . 1 1 81 81 SER HA H 170 4.374 4.374 4.360 0.014 17780 6143 1 10 . 1 1 81 81 SER CA C 170 58.475 58.475 58.504 -0.029 17780 6144 1 10 . 1 1 81 81 SER CB C 170 63.677 63.677 61.530 2.147 17780 6145 1 10 . 1 1 81 81 SER H H 170 8.560 8.560 8.551 0.009 17780 6146 1 10 . 1 1 83 83 GLN N N 172 120.404 120.404 117.146 3.258 17780 6147 1 10 . 1 1 83 83 GLN HA H 172 4.750 4.750 4.476 0.274 17780 6148 1 10 . 1 1 83 83 GLN CA C 172 59.899 59.899 54.594 5.305 17780 6149 1 10 . 1 1 83 83 GLN CB C 172 29.023 29.023 32.516 -3.493 17780 6150 1 10 . 1 1 83 83 GLN H H 172 8.635 8.635 8.179 0.456 17780 6151 1 10 . 1 1 84 84 ASN N N 173 116.470 116.470 120.138 -3.668 17780 6152 1 10 . 1 1 84 84 ASN HA H 173 4.237 4.237 4.156 0.081 17780 6153 1 10 . 1 1 84 84 ASN CA C 173 56.470 56.470 56.257 0.213 17780 6154 1 10 . 1 1 84 84 ASN CB C 173 37.812 37.812 38.428 -0.616 17780 6155 1 10 . 1 1 84 84 ASN H H 173 8.352 8.352 8.878 -0.526 17780 6156 1 10 . 1 1 85 85 ASN N N 174 118.500 118.500 118.969 -0.469 17780 6157 1 10 . 1 1 85 85 ASN HA H 174 4.534 4.534 4.237 0.297 17780 6158 1 10 . 1 1 85 85 ASN CA C 174 55.905 55.905 55.095 0.810 17780 6159 1 10 . 1 1 85 85 ASN CB C 174 37.760 37.760 38.247 -0.487 17780 6160 1 10 . 1 1 85 85 ASN H H 174 8.602 8.602 8.151 0.451 17780 6161 1 10 . 1 1 86 86 PHE CB C 175 39.641 39.641 37.971 1.670 17780 6162 1 10 . 1 1 87 87 VAL N N 176 120.134 120.134 120.927 -0.793 17780 6163 1 10 . 1 1 87 87 VAL HA H 176 3.564 3.564 2.649 0.915 17780 6164 1 10 . 1 1 87 87 VAL CA C 176 67.737 67.737 65.729 2.008 17780 6165 1 10 . 1 1 87 87 VAL CB C 176 31.951 31.951 30.796 1.155 17780 6166 1 10 . 1 1 87 87 VAL H H 176 9.002 9.002 7.119 1.883 17780 6167 1 10 . 1 1 88 88 HIS N N 177 117.217 117.217 118.396 -1.179 17780 6168 1 10 . 1 1 88 88 HIS HA H 177 4.304 4.304 4.084 0.220 17780 6169 1 10 . 1 1 88 88 HIS CA C 177 59.781 59.781 58.888 0.893 17780 6170 1 10 . 1 1 88 88 HIS CB C 177 28.264 28.264 29.780 -1.516 17780 6171 1 10 . 1 1 88 88 HIS H H 177 8.330 8.330 7.773 0.557 17780 6172 1 10 . 1 1 89 89 ASP N N 178 118.497 118.497 118.055 0.442 17780 6173 1 10 . 1 1 89 89 ASP HA H 178 4.500 4.500 4.489 0.011 17780 6174 1 10 . 1 1 89 89 ASP CA C 178 57.423 57.423 56.451 0.972 17780 6175 1 10 . 1 1 89 89 ASP CB C 178 41.792 41.792 40.557 1.235 17780 6176 1 10 . 1 1 89 89 ASP H H 178 7.696 7.696 7.923 -0.227 17780 6177 1 10 . 1 1 90 90 CYS N N 179 119.012 119.012 120.335 -1.323 17780 6178 1 10 . 1 1 90 90 CYS HA H 179 4.753 4.753 4.309 0.444 17780 6179 1 10 . 1 1 90 90 CYS CA C 179 58.466 58.466 62.492 -4.026 17780 6180 1 10 . 1 1 90 90 CYS CB C 179 40.758 40.758 25.581 15.177 17780 6181 1 10 . 1 1 90 90 CYS H H 179 8.037 8.037 7.842 0.195 17780 6182 1 10 . 1 1 91 91 VAL N N 180 125.063 125.063 120.708 4.355 17780 6183 1 10 . 1 1 91 91 VAL HA H 180 3.667 3.667 3.637 0.030 17780 6184 1 10 . 1 1 91 91 VAL CA C 180 66.293 66.293 66.818 -0.525 17780 6185 1 10 . 1 1 91 91 VAL CB C 180 32.028 32.028 32.035 -0.007 17780 6186 1 10 . 1 1 91 91 VAL H H 180 9.212 9.212 8.477 0.735 17780 6187 1 10 . 1 1 92 92 ASN N N 181 116.153 116.153 119.059 -2.906 17780 6188 1 10 . 1 1 92 92 ASN HA H 181 4.311 4.311 4.446 -0.135 17780 6189 1 10 . 1 1 92 92 ASN CA C 181 56.622 56.622 56.333 0.289 17780 6190 1 10 . 1 1 92 92 ASN CB C 181 38.749 38.749 38.218 0.531 17780 6191 1 10 . 1 1 92 92 ASN H H 181 7.626 7.626 7.596 0.030 17780 6192 1 10 . 1 1 93 93 ILE N N 182 118.637 118.637 119.982 -1.345 17780 6193 1 10 . 1 1 93 93 ILE HA H 182 3.787 3.787 3.723 0.064 17780 6194 1 10 . 1 1 93 93 ILE CA C 182 62.078 62.078 64.031 -1.953 17780 6195 1 10 . 1 1 93 93 ILE CB C 182 36.535 36.535 36.665 -0.130 17780 6196 1 10 . 1 1 93 93 ILE H H 182 8.610 8.610 8.357 0.253 17780 6197 1 10 . 1 1 94 94 THR N N 183 118.229 118.229 117.758 0.471 17780 6198 1 10 . 1 1 94 94 THR HA H 183 4.097 4.097 4.025 0.072 17780 6199 1 10 . 1 1 94 94 THR CA C 183 68.834 68.834 67.329 1.505 17780 6200 1 10 . 1 1 94 94 THR CB C 183 68.258 68.258 68.783 -0.525 17780 6201 1 10 . 1 1 94 94 THR H H 183 8.140 8.140 8.201 -0.061 17780 6202 1 10 . 1 1 95 95 ILE N N 184 120.906 120.906 121.156 -0.250 17780 6203 1 10 . 1 1 95 95 ILE HA H 184 3.666 3.666 3.928 -0.262 17780 6204 1 10 . 1 1 95 95 ILE CA C 184 66.259 66.259 63.014 3.244 17780 6205 1 10 . 1 1 95 95 ILE CB C 184 36.824 36.824 38.017 -1.193 17780 6206 1 10 . 1 1 95 95 ILE H H 184 8.450 8.450 7.760 0.690 17780 6207 1 10 . 1 1 96 96 LYS N N 185 123.208 123.208 121.482 1.726 17780 6208 1 10 . 1 1 96 96 LYS HA H 185 4.067 4.067 3.840 0.227 17780 6209 1 10 . 1 1 96 96 LYS CA C 185 59.987 59.987 60.252 -0.265 17780 6210 1 10 . 1 1 96 96 LYS CB C 185 32.119 32.119 32.173 -0.055 17780 6211 1 10 . 1 1 96 96 LYS H H 185 8.067 8.067 8.442 -0.375 17780 6212 1 10 . 1 1 97 97 GLN N N 186 116.879 116.879 118.119 -1.240 17780 6213 1 10 . 1 1 97 97 GLN HA H 186 4.059 4.059 3.991 0.068 17780 6214 1 10 . 1 1 97 97 GLN CA C 186 58.010 58.010 59.033 -1.023 17780 6215 1 10 . 1 1 97 97 GLN CB C 186 27.982 27.982 28.178 -0.196 17780 6216 1 10 . 1 1 97 97 GLN H H 186 8.493 8.493 8.485 0.008 17780 6217 1 10 . 1 1 98 98 HIS N N 187 119.676 119.676 121.328 -1.652 17780 6218 1 10 . 1 1 98 98 HIS HA H 187 4.579 4.579 4.427 0.152 17780 6219 1 10 . 1 1 98 98 HIS CA C 187 59.465 59.465 59.558 -0.093 17780 6220 1 10 . 1 1 98 98 HIS CB C 187 31.628 31.628 29.696 1.932 17780 6221 1 10 . 1 1 98 98 HIS H H 187 8.435 8.435 7.593 0.843 17780 6222 1 10 . 1 1 99 99 THR N N 188 114.500 114.500 115.985 -1.485 17780 6223 1 10 . 1 1 99 99 THR HA H 188 4.090 4.090 3.799 0.291 17780 6224 1 10 . 1 1 99 99 THR CA C 188 66.210 66.210 65.693 0.517 17780 6225 1 10 . 1 1 99 99 THR CB C 188 68.800 68.800 68.439 0.361 17780 6226 1 10 . 1 1 99 99 THR H H 188 8.440 8.440 8.362 0.078 17780 6227 1 10 . 1 1 100 100 VAL N N 189 122.934 122.934 121.207 1.727 17780 6228 1 10 . 1 1 100 100 VAL HA H 189 3.838 3.838 3.758 0.080 17780 6229 1 10 . 1 1 100 100 VAL CA C 189 65.832 65.832 65.491 0.341 17780 6230 1 10 . 1 1 100 100 VAL CB C 189 31.897 31.897 31.623 0.274 17780 6231 1 10 . 1 1 100 100 VAL H H 189 8.057 8.057 8.040 0.017 17780 6232 1 10 . 1 1 101 101 THR N N 190 115.101 115.101 112.905 2.196 17780 6233 1 10 . 1 1 101 101 THR HA H 190 4.140 4.140 4.014 0.126 17780 6234 1 10 . 1 1 101 101 THR CA C 190 64.907 64.907 66.400 -1.494 17780 6235 1 10 . 1 1 101 101 THR CB C 190 69.041 69.041 68.510 0.532 17780 6236 1 10 . 1 1 101 101 THR H H 190 8.131 8.131 7.804 0.327 17780 6237 1 10 . 1 1 102 102 THR N N 191 114.546 114.546 119.171 -4.625 17780 6238 1 10 . 1 1 102 102 THR HA H 191 4.092 4.092 3.816 0.276 17780 6239 1 10 . 1 1 102 102 THR CA C 191 64.801 64.801 67.728 -2.927 17780 6240 1 10 . 1 1 102 102 THR CB C 191 69.145 69.145 68.241 0.904 17780 6241 1 10 . 1 1 102 102 THR H H 191 8.011 8.011 7.831 0.180 17780 6242 1 10 . 1 1 103 103 THR N N 192 117.876 117.876 113.488 4.388 17780 6243 1 10 . 1 1 103 103 THR HA H 192 4.373 4.373 4.697 -0.324 17780 6244 1 10 . 1 1 103 103 THR CA C 192 64.935 64.935 64.801 0.134 17780 6245 1 10 . 1 1 103 103 THR CB C 192 69.043 69.043 68.656 0.387 17780 6246 1 10 . 1 1 103 103 THR H H 192 8.224 8.224 7.576 0.648 17780 6247 1 10 . 1 1 104 104 THR N N 193 116.232 116.232 118.605 -2.373 17780 6248 1 10 . 1 1 104 104 THR HA H 193 4.204 4.204 4.114 0.090 17780 6249 1 10 . 1 1 104 104 THR CA C 193 64.311 64.311 65.881 -1.570 17780 6250 1 10 . 1 1 104 104 THR CB C 193 68.981 68.981 68.677 0.304 17780 6251 1 10 . 1 1 104 104 THR H H 193 7.805 7.805 7.848 -0.043 17780 6252 1 10 . 1 1 105 105 LYS N N 194 119.843 119.843 118.712 1.131 17780 6253 1 10 . 1 1 105 105 LYS HA H 194 4.384 4.384 4.414 -0.030 17780 6254 1 10 . 1 1 105 105 LYS CA C 194 56.220 56.220 55.305 0.915 17780 6255 1 10 . 1 1 105 105 LYS CB C 194 32.527 32.527 32.515 0.012 17780 6256 1 10 . 1 1 105 105 LYS H H 194 7.504 7.504 7.658 -0.154 17780 6257 1 10 . 1 1 106 106 GLY N N 195 107.946 107.946 107.928 0.018 17780 6258 1 10 . 1 1 106 106 GLY CA C 195 45.431 45.431 45.217 0.214 17780 6259 1 10 . 1 1 106 106 GLY H H 195 7.924 7.924 7.638 0.286 17780 6260 1 10 . 1 1 107 107 GLU N N 196 120.063 120.063 119.913 0.150 17780 6261 1 10 . 1 1 107 107 GLU HA H 196 4.255 4.255 4.719 -0.464 17780 6262 1 10 . 1 1 107 107 GLU CA C 196 55.597 55.597 54.530 1.067 17780 6263 1 10 . 1 1 107 107 GLU CB C 196 31.073 31.073 32.913 -1.840 17780 6264 1 10 . 1 1 107 107 GLU H H 196 7.465 7.465 8.267 -0.802 17780 6265 1 10 . 1 1 108 108 ASN N N 197 119.350 119.350 118.564 0.786 17780 6266 1 10 . 1 1 108 108 ASN HA H 197 4.657 4.657 5.056 -0.399 17780 6267 1 10 . 1 1 108 108 ASN CA C 197 52.673 52.673 53.346 -0.673 17780 6268 1 10 . 1 1 108 108 ASN CB C 197 40.827 40.827 40.020 0.807 17780 6269 1 10 . 1 1 108 108 ASN H H 197 8.458 8.458 8.602 -0.144 17780 6270 1 10 . 1 1 109 109 PHE N N 198 121.688 121.688 120.545 1.143 17780 6271 1 10 . 1 1 109 109 PHE HA H 198 5.317 5.317 4.858 0.459 17780 6272 1 10 . 1 1 109 109 PHE CA C 198 56.571 56.571 56.445 0.126 17780 6273 1 10 . 1 1 109 109 PHE CB C 198 40.093 40.093 42.547 -2.454 17780 6274 1 10 . 1 1 109 109 PHE H H 198 8.709 8.709 8.504 0.205 17780 6275 1 10 . 1 1 110 110 THR N N 199 115.904 115.904 115.426 0.478 17780 6276 1 10 . 1 1 110 110 THR HA H 199 4.624 4.624 4.545 0.079 17780 6277 1 10 . 1 1 110 110 THR CA C 199 60.343 60.343 61.141 -0.798 17780 6278 1 10 . 1 1 110 110 THR CB C 199 72.033 72.033 70.434 1.599 17780 6279 1 10 . 1 1 110 110 THR H H 199 9.547 9.547 8.603 0.944 17780 6280 1 10 . 1 1 111 111 GLU N N 200 119.988 119.988 121.492 -1.504 17780 6281 1 10 . 1 1 111 111 GLU HA H 200 4.067 4.067 3.991 0.076 17780 6282 1 10 . 1 1 111 111 GLU CA C 200 60.027 60.027 59.908 0.119 17780 6283 1 10 . 1 1 111 111 GLU CB C 200 28.976 28.976 28.799 0.177 17780 6284 1 10 . 1 1 111 111 GLU H H 200 9.132 9.132 8.918 0.214 17780 6285 1 10 . 1 1 112 112 THR N N 201 116.221 116.221 116.261 -0.040 17780 6286 1 10 . 1 1 112 112 THR HA H 201 3.796 3.796 4.076 -0.280 17780 6287 1 10 . 1 1 112 112 THR CA C 201 66.781 66.781 66.472 0.309 17780 6288 1 10 . 1 1 112 112 THR CB C 201 68.581 68.581 68.484 0.097 17780 6289 1 10 . 1 1 112 112 THR H H 201 7.934 7.934 8.109 -0.175 17780 6290 1 10 . 1 1 113 113 ASP N N 202 120.001 120.001 122.897 -2.896 17780 6291 1 10 . 1 1 113 113 ASP HA H 202 4.598 4.598 4.583 0.015 17780 6292 1 10 . 1 1 113 113 ASP CA C 202 57.984 57.984 58.201 -0.217 17780 6293 1 10 . 1 1 113 113 ASP CB C 202 41.756 41.756 41.141 0.615 17780 6294 1 10 . 1 1 113 113 ASP H H 202 7.503 7.503 8.196 -0.693 17780 6295 1 10 . 1 1 114 114 VAL N N 203 119.529 119.529 119.329 0.200 17780 6296 1 10 . 1 1 114 114 VAL HA H 203 3.279 3.279 3.637 -0.358 17780 6297 1 10 . 1 1 114 114 VAL CA C 203 67.817 67.817 65.970 1.847 17780 6298 1 10 . 1 1 114 114 VAL CB C 203 31.528 31.528 31.218 0.310 17780 6299 1 10 . 1 1 114 114 VAL H H 203 8.209 8.209 7.760 0.449 17780 6300 1 10 . 1 1 115 115 LYS N N 204 119.051 119.051 120.349 -1.298 17780 6301 1 10 . 1 1 115 115 LYS HA H 204 4.082 4.082 4.297 -0.215 17780 6302 1 10 . 1 1 115 115 LYS CA C 204 59.268 59.268 59.377 -0.109 17780 6303 1 10 . 1 1 115 115 LYS CB C 204 31.979 31.979 32.650 -0.671 17780 6304 1 10 . 1 1 115 115 LYS H H 204 7.714 7.714 8.189 -0.475 17780 6305 1 10 . 1 1 116 116 MET N N 205 118.581 118.581 116.178 2.403 17780 6306 1 10 . 1 1 116 116 MET HA H 205 4.167 4.167 4.492 -0.325 17780 6307 1 10 . 1 1 116 116 MET CA C 205 59.984 59.984 58.637 1.347 17780 6308 1 10 . 1 1 116 116 MET CB C 205 32.933 32.933 32.932 0.001 17780 6309 1 10 . 1 1 116 116 MET H H 205 8.182 8.182 8.278 -0.096 17780 6310 1 10 . 1 1 117 117 MET N N 206 118.259 118.259 118.300 -0.041 17780 6311 1 10 . 1 1 117 117 MET HA H 206 3.561 3.561 4.167 -0.606 17780 6312 1 10 . 1 1 117 117 MET CA C 206 59.967 59.967 58.384 1.583 17780 6313 1 10 . 1 1 117 117 MET CB C 206 33.824 33.824 31.693 2.131 17780 6314 1 10 . 1 1 117 117 MET H H 206 8.691 8.691 7.767 0.924 17780 6315 1 10 . 1 1 118 118 GLU N N 207 118.878 118.878 120.189 -1.311 17780 6316 1 10 . 1 1 118 118 GLU HA H 207 3.658 3.658 3.906 -0.248 17780 6317 1 10 . 1 1 118 118 GLU CA C 207 60.702 60.702 59.483 1.219 17780 6318 1 10 . 1 1 118 118 GLU CB C 207 29.000 29.000 29.262 -0.262 17780 6319 1 10 . 1 1 118 118 GLU H H 207 8.544 8.544 8.073 0.471 17780 6320 1 10 . 1 1 119 119 ARG N N 208 116.694 116.694 117.828 -1.134 17780 6321 1 10 . 1 1 119 119 ARG HA H 208 4.228 4.228 4.053 0.175 17780 6322 1 10 . 1 1 119 119 ARG CA C 208 58.554 58.554 58.620 -0.066 17780 6323 1 10 . 1 1 119 119 ARG CB C 208 30.136 30.136 29.905 0.231 17780 6324 1 10 . 1 1 119 119 ARG H H 208 7.289 7.289 7.736 -0.447 17780 6325 1 10 . 1 1 120 120 VAL N N 209 119.035 119.035 115.185 3.850 17780 6326 1 10 . 1 1 120 120 VAL HA H 209 3.837 3.837 4.011 -0.174 17780 6327 1 10 . 1 1 120 120 VAL CA C 209 65.766 65.766 65.233 0.533 17780 6328 1 10 . 1 1 120 120 VAL CB C 209 32.213 32.213 32.206 0.007 17780 6329 1 10 . 1 1 120 120 VAL H H 209 8.279 8.279 7.369 0.910 17780 6330 1 10 . 1 1 121 121 VAL N N 210 121.668 121.668 116.712 4.956 17780 6331 1 10 . 1 1 121 121 VAL HA H 210 3.597 3.597 3.769 -0.172 17780 6332 1 10 . 1 1 121 121 VAL CA C 210 66.639 66.639 65.874 0.765 17780 6333 1 10 . 1 1 121 121 VAL CB C 210 31.097 31.097 31.227 -0.130 17780 6334 1 10 . 1 1 121 121 VAL H H 210 9.183 9.183 7.696 1.487 17780 6335 1 10 . 1 1 122 122 GLU N N 211 120.770 120.770 120.729 0.041 17780 6336 1 10 . 1 1 122 122 GLU HA H 211 3.603 3.603 3.867 -0.264 17780 6337 1 10 . 1 1 122 122 GLU CA C 211 61.132 61.132 60.137 0.995 17780 6338 1 10 . 1 1 122 122 GLU CB C 211 29.153 29.153 29.273 -0.120 17780 6339 1 10 . 1 1 122 122 GLU H H 211 8.041 8.041 7.691 0.350 17780 6340 1 10 . 1 1 123 123 GLN N N 212 114.580 114.580 117.206 -2.626 17780 6341 1 10 . 1 1 123 123 GLN HA H 212 3.662 3.662 4.121 -0.459 17780 6342 1 10 . 1 1 123 123 GLN CA C 212 58.509 58.509 57.632 0.877 17780 6343 1 10 . 1 1 123 123 GLN CB C 212 27.824 27.824 28.243 -0.419 17780 6344 1 10 . 1 1 123 123 GLN H H 212 7.096 7.096 7.814 -0.718 17780 6345 1 10 . 1 1 124 124 MET N N 213 119.748 119.748 120.790 -1.042 17780 6346 1 10 . 1 1 124 124 MET HA H 213 4.167 4.167 4.242 -0.075 17780 6347 1 10 . 1 1 124 124 MET CA C 213 59.928 59.928 59.111 0.817 17780 6348 1 10 . 1 1 124 124 MET CB C 213 34.529 34.529 32.706 1.823 17780 6349 1 10 . 1 1 124 124 MET H H 213 8.145 8.145 7.715 0.430 17780 6350 1 10 . 1 1 125 125 CYS N N 214 119.538 119.538 119.323 0.215 17780 6351 1 10 . 1 1 125 125 CYS HA H 214 4.427 4.427 4.208 0.219 17780 6352 1 10 . 1 1 125 125 CYS CA C 214 59.838 59.838 62.245 -2.407 17780 6353 1 10 . 1 1 125 125 CYS CB C 214 41.798 41.798 25.656 16.142 17780 6354 1 10 . 1 1 125 125 CYS H H 214 9.275 9.275 8.072 1.203 17780 6355 1 10 . 1 1 126 126 ILE N N 215 123.982 123.982 120.999 2.983 17780 6356 1 10 . 1 1 126 126 ILE HA H 215 3.579 3.579 3.830 -0.251 17780 6357 1 10 . 1 1 126 126 ILE CA C 215 66.649 66.649 65.508 1.141 17780 6358 1 10 . 1 1 126 126 ILE CB C 215 38.152 38.152 37.755 0.397 17780 6359 1 10 . 1 1 126 126 ILE H H 215 8.434 8.434 7.803 0.631 17780 6360 1 10 . 1 1 127 127 THR N N 216 118.728 118.728 116.225 2.503 17780 6361 1 10 . 1 1 127 127 THR HA H 216 3.835 3.835 3.951 -0.116 17780 6362 1 10 . 1 1 127 127 THR CA C 216 67.425 67.425 66.961 0.464 17780 6363 1 10 . 1 1 127 127 THR CB C 216 68.035 68.035 68.193 -0.158 17780 6364 1 10 . 1 1 127 127 THR H H 216 8.097 8.097 7.940 0.157 17780 6365 1 10 . 1 1 128 128 GLN N N 217 122.368 122.368 120.528 1.840 17780 6366 1 10 . 1 1 128 128 GLN HA H 217 3.662 3.662 4.150 -0.488 17780 6367 1 10 . 1 1 128 128 GLN CA C 217 58.462 58.462 58.523 -0.060 17780 6368 1 10 . 1 1 128 128 GLN CB C 217 28.075 28.075 28.395 -0.320 17780 6369 1 10 . 1 1 128 128 GLN H H 217 8.637 8.637 7.664 0.973 17780 6370 1 10 . 1 1 129 129 TYR N N 218 121.512 121.512 122.894 -1.382 17780 6371 1 10 . 1 1 129 129 TYR HA H 218 2.929 2.929 4.044 -1.115 17780 6372 1 10 . 1 1 129 129 TYR CA C 218 61.904 61.904 60.625 1.279 17780 6373 1 10 . 1 1 129 129 TYR CB C 218 37.075 37.075 38.326 -1.251 17780 6374 1 10 . 1 1 129 129 TYR H H 218 8.705 8.705 8.918 -0.213 17780 6375 1 10 . 1 1 130 130 LYS N N 219 120.801 120.801 116.911 3.890 17780 6376 1 10 . 1 1 130 130 LYS HA H 219 3.667 3.667 3.583 0.084 17780 6377 1 10 . 1 1 130 130 LYS CA C 219 60.001 60.001 57.914 2.087 17780 6378 1 10 . 1 1 130 130 LYS CB C 219 31.732 31.732 31.503 0.229 17780 6379 1 10 . 1 1 130 130 LYS H H 219 8.232 8.232 8.396 -0.164 17780 6380 1 10 . 1 1 131 131 ARG HA H 220 3.978 3.978 3.981 -0.003 17780 6381 1 10 . 1 1 131 131 ARG CA C 220 59.013 59.013 58.851 0.162 17780 6382 1 10 . 1 1 131 131 ARG CB C 220 30.028 30.028 29.972 0.056 17780 6383 1 10 . 1 1 132 132 GLU N N 221 119.690 119.690 118.205 1.485 17780 6384 1 10 . 1 1 132 132 GLU HA H 221 4.035 4.035 4.151 -0.116 17780 6385 1 10 . 1 1 132 132 GLU CA C 221 58.006 58.006 58.062 -0.056 17780 6386 1 10 . 1 1 132 132 GLU CB C 221 29.270 29.270 28.865 0.405 17780 6387 1 10 . 1 1 132 132 GLU H H 221 8.521 8.521 8.046 0.475 17780 6388 1 10 . 1 1 133 133 SER N N 222 115.963 115.963 116.293 -0.330 17780 6389 1 10 . 1 1 133 133 SER HA H 222 3.884 3.884 3.849 0.035 17780 6390 1 10 . 1 1 133 133 SER CA C 222 61.500 61.500 61.715 -0.215 17780 6391 1 10 . 1 1 133 133 SER CB C 222 62.207 62.207 61.866 0.341 17780 6392 1 10 . 1 1 133 133 SER H H 222 8.543 8.543 8.353 0.190 17780 6393 1 10 . 1 1 134 134 GLN N N 223 120.695 120.695 120.140 0.555 17780 6394 1 10 . 1 1 134 134 GLN HA H 223 4.152 4.152 3.722 0.430 17780 6395 1 10 . 1 1 134 134 GLN CA C 223 58.646 58.646 58.264 0.382 17780 6396 1 10 . 1 1 134 134 GLN CB C 223 28.299 28.299 28.334 -0.035 17780 6397 1 10 . 1 1 134 134 GLN H H 223 7.486 7.486 7.343 0.143 17780 6398 1 10 . 1 1 135 135 ALA N N 224 120.905 120.905 121.478 -0.573 17780 6399 1 10 . 1 1 135 135 ALA HA H 224 4.169 4.169 4.092 0.077 17780 6400 1 10 . 1 1 135 135 ALA CA C 224 54.404 54.404 54.486 -0.082 17780 6401 1 10 . 1 1 135 135 ALA CB C 224 18.233 18.233 18.111 0.122 17780 6402 1 10 . 1 1 135 135 ALA H H 224 7.497 7.497 7.355 0.142 17780 6403 1 10 . 1 1 136 136 TYR N N 225 119.969 119.969 121.040 -1.071 17780 6404 1 10 . 1 1 136 136 TYR HA H 225 4.080 4.080 4.102 -0.022 17780 6405 1 10 . 1 1 136 136 TYR CA C 225 61.060 61.060 61.101 -0.041 17780 6406 1 10 . 1 1 136 136 TYR CB C 225 39.008 39.008 38.369 0.639 17780 6407 1 10 . 1 1 136 136 TYR H H 225 8.215 8.215 7.830 0.385 17780 6408 1 10 . 1 1 137 137 TYR N N 226 117.988 117.988 116.779 1.209 17780 6409 1 10 . 1 1 137 137 TYR HA H 226 4.319 4.319 3.908 0.411 17780 6410 1 10 . 1 1 137 137 TYR CA C 226 59.543 59.543 58.817 0.726 17780 6411 1 10 . 1 1 137 137 TYR CB C 226 37.769 37.769 36.641 1.128 17780 6412 1 10 . 1 1 137 137 TYR H H 226 8.022 8.022 8.408 -0.386 17780 6413 1 10 . 1 1 138 138 GLN N N 227 118.911 118.911 118.664 0.247 17780 6414 1 10 . 1 1 138 138 GLN HA H 227 4.189 4.189 4.060 0.129 17780 6415 1 10 . 1 1 138 138 GLN CA C 227 57.002 57.002 58.103 -1.101 17780 6416 1 10 . 1 1 138 138 GLN CB C 227 28.740 28.740 27.688 1.052 17780 6417 1 10 . 1 1 138 138 GLN H H 227 7.838 7.838 7.666 0.172 17780 6418 1 10 . 1 1 139 139 ARG N N 228 119.910 119.910 119.474 0.436 17780 6419 1 10 . 1 1 139 139 ARG HA H 228 4.207 4.207 4.186 0.021 17780 6420 1 10 . 1 1 139 139 ARG CA C 228 57.338 57.338 57.849 -0.511 17780 6421 1 10 . 1 1 139 139 ARG CB C 228 30.390 30.390 30.137 0.253 17780 6422 1 10 . 1 1 139 139 ARG H H 228 7.862 7.862 7.787 0.075 17780 6423 1 10 . 1 1 140 140 GLY N N 229 108.627 108.627 105.220 3.407 17780 6424 1 10 . 1 1 140 140 GLY CA C 229 45.477 45.477 45.314 0.163 17780 6425 1 10 . 1 1 140 140 GLY H H 229 8.092 8.092 7.741 0.351 17780 6426 1 10 . 1 1 141 141 SER N N 230 115.141 115.141 115.084 0.057 17780 6427 1 10 . 1 1 141 141 SER HA H 230 4.330 4.330 4.651 -0.321 17780 6428 1 10 . 1 1 141 141 SER CA C 230 58.650 58.650 58.019 0.631 17780 6429 1 10 . 1 1 141 141 SER CB C 230 63.641 63.641 63.974 -0.333 17780 6430 1 10 . 1 1 141 141 SER H H 230 8.050 8.050 7.774 0.276 17780 6431 1 11 . 1 1 2 2 GLN N N 91 119.729 119.729 119.364 0.365 17780 6432 1 11 . 1 1 2 2 GLN HA H 91 4.407 4.407 4.379 0.028 17780 6433 1 11 . 1 1 2 2 GLN CA C 91 55.969 55.969 55.891 0.078 17780 6434 1 11 . 1 1 2 2 GLN CB C 91 29.576 29.576 29.436 0.140 17780 6435 1 11 . 1 1 2 2 GLN H H 91 8.267 8.267 8.226 0.041 17780 6436 1 11 . 1 1 3 3 GLY N N 92 110.081 110.081 107.241 2.840 17780 6437 1 11 . 1 1 3 3 GLY CA C 92 45.115 45.115 44.556 0.559 17780 6438 1 11 . 1 1 3 3 GLY H H 92 8.515 8.515 7.827 0.688 17780 6439 1 11 . 1 1 4 4 GLY N N 93 108.748 108.748 106.502 2.246 17780 6440 1 11 . 1 1 4 4 GLY CA C 93 45.228 45.228 44.886 0.342 17780 6441 1 11 . 1 1 4 4 GLY H H 93 8.331 8.331 8.253 0.078 17780 6442 1 11 . 1 1 5 5 GLY N N 94 108.857 108.857 107.539 1.318 17780 6443 1 11 . 1 1 5 5 GLY CA C 94 45.172 45.172 45.552 -0.380 17780 6444 1 11 . 1 1 5 5 GLY H H 94 8.362 8.362 8.372 -0.010 17780 6445 1 11 . 1 1 6 6 THR N N 95 113.538 113.538 113.479 0.059 17780 6446 1 11 . 1 1 6 6 THR HA H 95 4.282 4.282 4.403 -0.121 17780 6447 1 11 . 1 1 6 6 THR CA C 95 61.906 61.906 62.023 -0.117 17780 6448 1 11 . 1 1 6 6 THR CB C 95 69.711 69.711 69.522 0.189 17780 6449 1 11 . 1 1 6 6 THR H H 95 8.129 8.129 8.264 -0.135 17780 6450 1 11 . 1 1 7 7 HIS N N 96 121.027 121.027 117.891 3.136 17780 6451 1 11 . 1 1 7 7 HIS HA H 96 4.713 4.713 4.612 0.101 17780 6452 1 11 . 1 1 7 7 HIS CA C 96 55.169 55.169 55.071 0.098 17780 6453 1 11 . 1 1 7 7 HIS CB C 96 29.575 29.575 30.976 -1.401 17780 6454 1 11 . 1 1 7 7 HIS H H 96 8.497 8.497 7.870 0.627 17780 6455 1 11 . 1 1 8 8 SER N N 97 117.031 117.031 116.635 0.396 17780 6456 1 11 . 1 1 8 8 SER HA H 97 4.405 4.405 4.191 0.214 17780 6457 1 11 . 1 1 8 8 SER CA C 97 58.379 58.379 58.789 -0.410 17780 6458 1 11 . 1 1 8 8 SER CB C 97 63.535 63.535 62.906 0.629 17780 6459 1 11 . 1 1 8 8 SER H H 97 8.275 8.275 8.704 -0.429 17780 6460 1 11 . 1 1 9 9 GLN N N 98 122.084 122.084 121.068 1.016 17780 6461 1 11 . 1 1 9 9 GLN HA H 98 4.279 4.279 4.203 0.076 17780 6462 1 11 . 1 1 9 9 GLN CA C 98 55.970 55.970 56.790 -0.820 17780 6463 1 11 . 1 1 9 9 GLN CB C 98 29.157 29.157 28.992 0.165 17780 6464 1 11 . 1 1 9 9 GLN H H 98 8.462 8.462 8.196 0.266 17780 6465 1 11 . 1 1 10 10 TRP N N 99 121.630 121.630 129.436 -7.806 17780 6466 1 11 . 1 1 10 10 TRP HA H 99 4.676 4.676 4.618 0.058 17780 6467 1 11 . 1 1 10 10 TRP CA C 99 57.046 57.046 57.684 -0.638 17780 6468 1 11 . 1 1 10 10 TRP CB C 99 29.440 29.440 30.558 -1.118 17780 6469 1 11 . 1 1 10 10 TRP H H 99 8.086 8.086 8.433 -0.347 17780 6470 1 11 . 1 1 11 11 ASN N N 100 120.591 120.591 123.472 -2.881 17780 6471 1 11 . 1 1 11 11 ASN HA H 100 4.602 4.602 4.233 0.369 17780 6472 1 11 . 1 1 11 11 ASN CA C 100 52.675 52.675 51.829 0.846 17780 6473 1 11 . 1 1 11 11 ASN CB C 100 38.781 38.781 38.895 -0.114 17780 6474 1 11 . 1 1 11 11 ASN H H 100 8.095 8.095 7.899 0.196 17780 6475 1 11 . 1 1 12 12 LYS N N 101 122.656 122.656 118.311 4.345 17780 6476 1 11 . 1 1 12 12 LYS HA H 101 4.435 4.435 3.658 0.777 17780 6477 1 11 . 1 1 12 12 LYS CA C 101 54.139 54.139 56.111 -1.972 17780 6478 1 11 . 1 1 12 12 LYS CB C 101 32.474 32.474 31.404 1.069 17780 6479 1 11 . 1 1 12 12 LYS H H 101 7.985 7.985 5.683 2.302 17780 6480 1 11 . 1 1 13 13 PRO HA H 102 4.425 4.425 4.415 0.010 17780 6481 1 11 . 1 1 13 13 PRO CA C 102 63.065 63.065 63.559 -0.495 17780 6482 1 11 . 1 1 13 13 PRO CB C 102 32.056 32.056 32.308 -0.252 17780 6483 1 11 . 1 1 14 14 SER N N 103 116.881 116.881 116.956 -0.075 17780 6484 1 11 . 1 1 14 14 SER HA H 103 4.430 4.430 4.341 0.089 17780 6485 1 11 . 1 1 14 14 SER CA C 103 57.973 57.973 58.252 -0.279 17780 6486 1 11 . 1 1 14 14 SER CB C 103 63.669 63.669 63.151 0.518 17780 6487 1 11 . 1 1 14 14 SER H H 103 8.420 8.420 7.765 0.655 17780 6488 1 11 . 1 1 15 15 LYS N N 104 124.163 124.163 127.974 -3.811 17780 6489 1 11 . 1 1 15 15 LYS HA H 104 4.620 4.620 4.569 0.051 17780 6490 1 11 . 1 1 15 15 LYS CA C 104 54.160 54.160 54.564 -0.404 17780 6491 1 11 . 1 1 15 15 LYS CB C 104 32.606 32.606 32.025 0.581 17780 6492 1 11 . 1 1 15 15 LYS H H 104 8.321 8.321 8.361 -0.040 17780 6493 1 11 . 1 1 16 16 PRO HA H 105 4.412 4.412 4.607 -0.195 17780 6494 1 11 . 1 1 16 16 PRO CA C 105 63.012 63.012 62.355 0.657 17780 6495 1 11 . 1 1 16 16 PRO CB C 105 32.152 32.152 33.024 -0.872 17780 6496 1 11 . 1 1 17 17 LYS N N 106 122.072 122.072 121.554 0.518 17780 6497 1 11 . 1 1 17 17 LYS HA H 106 4.338 4.338 4.317 0.021 17780 6498 1 11 . 1 1 17 17 LYS CA C 106 56.299 56.299 56.147 0.152 17780 6499 1 11 . 1 1 17 17 LYS CB C 106 32.928 32.928 32.286 0.642 17780 6500 1 11 . 1 1 17 17 LYS H H 106 8.516 8.516 8.406 0.110 17780 6501 1 11 . 1 1 18 18 THR N N 107 115.252 115.252 117.396 -2.144 17780 6502 1 11 . 1 1 18 18 THR HA H 107 4.323 4.323 4.404 -0.081 17780 6503 1 11 . 1 1 18 18 THR CA C 107 61.523 61.523 62.041 -0.518 17780 6504 1 11 . 1 1 18 18 THR CB C 107 69.778 69.778 69.633 0.145 17780 6505 1 11 . 1 1 18 18 THR H H 107 8.133 8.133 8.200 -0.067 17780 6506 1 11 . 1 1 19 19 ASN N N 108 121.344 121.344 122.123 -0.779 17780 6507 1 11 . 1 1 19 19 ASN HA H 108 4.712 4.712 5.071 -0.359 17780 6508 1 11 . 1 1 19 19 ASN CA C 108 53.019 53.019 52.179 0.840 17780 6509 1 11 . 1 1 19 19 ASN CB C 108 38.728 38.728 41.067 -2.339 17780 6510 1 11 . 1 1 19 19 ASN H H 108 8.537 8.537 8.237 0.300 17780 6511 1 11 . 1 1 20 20 MET N N 109 121.309 121.309 119.739 1.570 17780 6512 1 11 . 1 1 20 20 MET HA H 109 4.437 4.437 4.498 -0.061 17780 6513 1 11 . 1 1 20 20 MET CA C 109 55.446 55.446 55.890 -0.444 17780 6514 1 11 . 1 1 20 20 MET CB C 109 32.809 32.809 33.144 -0.335 17780 6515 1 11 . 1 1 20 20 MET H H 109 8.346 8.346 8.245 0.101 17780 6516 1 11 . 1 1 21 21 LYS N N 110 122.292 122.292 125.333 -3.041 17780 6517 1 11 . 1 1 21 21 LYS HA H 110 4.237 4.237 4.526 -0.289 17780 6518 1 11 . 1 1 21 21 LYS CA C 110 56.394 56.394 55.931 0.463 17780 6519 1 11 . 1 1 21 21 LYS CB C 110 32.923 32.923 33.275 -0.352 17780 6520 1 11 . 1 1 21 21 LYS H H 110 8.300 8.300 8.399 -0.099 17780 6521 1 11 . 1 1 22 22 HIS N N 111 120.193 120.193 123.552 -3.359 17780 6522 1 11 . 1 1 22 22 HIS HA H 111 4.642 4.642 4.586 0.056 17780 6523 1 11 . 1 1 22 22 HIS CA C 111 55.391 55.391 55.620 -0.229 17780 6524 1 11 . 1 1 22 22 HIS CB C 111 29.501 29.501 30.494 -0.993 17780 6525 1 11 . 1 1 22 22 HIS H H 111 8.406 8.406 8.483 -0.077 17780 6526 1 11 . 1 1 23 23 MET N N 112 122.529 122.529 123.393 -0.864 17780 6527 1 11 . 1 1 23 23 MET HA H 112 4.464 4.464 4.633 -0.169 17780 6528 1 11 . 1 1 23 23 MET CA C 112 55.125 55.125 54.356 0.769 17780 6529 1 11 . 1 1 23 23 MET CB C 112 32.930 32.930 32.904 0.027 17780 6530 1 11 . 1 1 23 23 MET H H 112 8.326 8.326 8.693 -0.367 17780 6531 1 11 . 1 1 24 24 ALA N N 113 125.642 125.642 122.629 3.013 17780 6532 1 11 . 1 1 24 24 ALA HA H 113 4.315 4.315 4.641 -0.326 17780 6533 1 11 . 1 1 24 24 ALA CA C 113 52.521 52.521 51.812 0.709 17780 6534 1 11 . 1 1 24 24 ALA CB C 113 19.181 19.181 20.083 -0.902 17780 6535 1 11 . 1 1 24 24 ALA H H 113 8.370 8.370 8.384 -0.014 17780 6536 1 11 . 1 1 25 25 GLY N N 114 108.473 108.473 109.119 -0.646 17780 6537 1 11 . 1 1 25 25 GLY CA C 114 45.175 45.175 45.127 0.048 17780 6538 1 11 . 1 1 25 25 GLY H H 114 8.373 8.373 8.673 -0.300 17780 6539 1 11 . 1 1 26 26 ALA N N 115 123.872 123.872 123.312 0.560 17780 6540 1 11 . 1 1 26 26 ALA HA H 115 4.316 4.316 4.603 -0.287 17780 6541 1 11 . 1 1 26 26 ALA CA C 115 52.496 52.496 51.389 1.107 17780 6542 1 11 . 1 1 26 26 ALA CB C 115 19.181 19.181 19.943 -0.762 17780 6543 1 11 . 1 1 26 26 ALA H H 115 8.134 8.134 7.672 0.462 17780 6544 1 11 . 1 1 27 27 ALA N N 116 123.172 123.172 125.593 -2.421 17780 6545 1 11 . 1 1 27 27 ALA HA H 116 4.287 4.287 4.388 -0.101 17780 6546 1 11 . 1 1 27 27 ALA CA C 116 52.464 52.464 51.487 0.977 17780 6547 1 11 . 1 1 27 27 ALA CB C 116 19.180 19.180 17.980 1.200 17780 6548 1 11 . 1 1 27 27 ALA H H 116 8.268 8.268 8.655 -0.387 17780 6549 1 11 . 1 1 28 28 ALA N N 117 123.253 123.253 125.204 -1.951 17780 6550 1 11 . 1 1 28 28 ALA HA H 117 4.277 4.277 4.509 -0.232 17780 6551 1 11 . 1 1 28 28 ALA CA C 117 52.383 52.383 52.257 0.126 17780 6552 1 11 . 1 1 28 28 ALA CB C 117 19.156 19.156 19.625 -0.469 17780 6553 1 11 . 1 1 28 28 ALA H H 117 8.169 8.169 8.119 0.050 17780 6554 1 11 . 1 1 29 29 ALA N N 118 123.225 123.225 123.649 -0.424 17780 6555 1 11 . 1 1 29 29 ALA HA H 118 4.282 4.282 4.474 -0.192 17780 6556 1 11 . 1 1 29 29 ALA CA C 118 52.469 52.469 51.542 0.927 17780 6557 1 11 . 1 1 29 29 ALA CB C 118 19.129 19.129 19.877 -0.748 17780 6558 1 11 . 1 1 29 29 ALA H H 118 8.204 8.204 8.209 -0.005 17780 6559 1 11 . 1 1 30 30 GLY N N 119 107.906 107.906 107.703 0.203 17780 6560 1 11 . 1 1 30 30 GLY CA C 119 45.089 45.089 44.915 0.174 17780 6561 1 11 . 1 1 30 30 GLY H H 119 8.271 8.271 8.480 -0.209 17780 6562 1 11 . 1 1 31 31 ALA N N 120 123.540 123.540 122.654 0.886 17780 6563 1 11 . 1 1 31 31 ALA HA H 120 4.339 4.339 4.414 -0.075 17780 6564 1 11 . 1 1 31 31 ALA CA C 120 52.282 52.282 52.153 0.129 17780 6565 1 11 . 1 1 31 31 ALA CB C 120 19.432 19.432 19.737 -0.305 17780 6566 1 11 . 1 1 31 31 ALA H H 120 8.039 8.039 7.481 0.558 17780 6567 1 11 . 1 1 32 32 VAL N N 121 119.579 119.579 113.846 5.733 17780 6568 1 11 . 1 1 32 32 VAL HA H 121 4.117 4.117 3.802 0.315 17780 6569 1 11 . 1 1 32 32 VAL CA C 121 62.142 62.142 62.982 -0.840 17780 6570 1 11 . 1 1 32 32 VAL CB C 121 32.673 32.673 29.871 2.802 17780 6571 1 11 . 1 1 32 32 VAL H H 121 8.109 8.109 8.596 -0.487 17780 6572 1 11 . 1 1 33 33 VAL N N 122 124.655 124.655 121.485 3.170 17780 6573 1 11 . 1 1 33 33 VAL HA H 122 4.081 4.081 4.129 -0.048 17780 6574 1 11 . 1 1 33 33 VAL CA C 122 62.430 62.430 62.603 -0.173 17780 6575 1 11 . 1 1 33 33 VAL CB C 122 32.675 32.675 33.173 -0.498 17780 6576 1 11 . 1 1 33 33 VAL H H 122 8.262 8.262 7.529 0.733 17780 6577 1 11 . 1 1 34 34 GLY N N 123 113.165 113.165 112.797 0.368 17780 6578 1 11 . 1 1 34 34 GLY CA C 123 45.264 45.264 45.408 -0.144 17780 6579 1 11 . 1 1 34 34 GLY H H 123 8.528 8.528 8.712 -0.184 17780 6580 1 11 . 1 1 35 35 GLY N N 124 108.440 108.440 106.436 2.004 17780 6581 1 11 . 1 1 35 35 GLY CA C 124 45.264 45.264 45.549 -0.285 17780 6582 1 11 . 1 1 35 35 GLY H H 124 8.245 8.245 8.157 0.088 17780 6583 1 11 . 1 1 36 36 LEU N N 125 121.679 121.679 122.505 -0.826 17780 6584 1 11 . 1 1 36 36 LEU HA H 125 4.340 4.340 4.802 -0.462 17780 6585 1 11 . 1 1 36 36 LEU CA C 125 54.808 54.808 54.915 -0.107 17780 6586 1 11 . 1 1 36 36 LEU CB C 125 42.417 42.417 43.036 -0.619 17780 6587 1 11 . 1 1 36 36 LEU H H 125 8.233 8.233 7.935 0.298 17780 6588 1 11 . 1 1 37 37 GLY N N 126 109.818 109.818 106.116 3.702 17780 6589 1 11 . 1 1 37 37 GLY CA C 126 46.266 46.266 45.257 1.009 17780 6590 1 11 . 1 1 37 37 GLY H H 126 8.511 8.511 8.480 0.031 17780 6591 1 11 . 1 1 38 38 GLY N N 127 109.485 109.485 109.019 0.466 17780 6592 1 11 . 1 1 38 38 GLY CA C 127 45.029 45.029 45.082 -0.053 17780 6593 1 11 . 1 1 38 38 GLY H H 127 8.374 8.374 7.412 0.962 17780 6594 1 11 . 1 1 39 39 TYR N N 128 117.683 117.683 121.862 -4.179 17780 6595 1 11 . 1 1 39 39 TYR HA H 128 4.501 4.501 4.755 -0.254 17780 6596 1 11 . 1 1 39 39 TYR CA C 128 58.050 58.050 56.820 1.230 17780 6597 1 11 . 1 1 39 39 TYR CB C 128 40.362 40.362 41.765 -1.403 17780 6598 1 11 . 1 1 39 39 TYR H H 128 7.746 7.746 8.190 -0.444 17780 6599 1 11 . 1 1 40 40 MET N N 129 120.902 120.902 116.290 4.612 17780 6600 1 11 . 1 1 40 40 MET HA H 129 4.534 4.534 4.687 -0.153 17780 6601 1 11 . 1 1 40 40 MET CA C 129 53.516 53.516 53.526 -0.010 17780 6602 1 11 . 1 1 40 40 MET CB C 129 34.851 34.851 36.687 -1.836 17780 6603 1 11 . 1 1 40 40 MET H H 129 9.005 9.005 8.773 0.232 17780 6604 1 11 . 1 1 41 41 LEU N N 130 121.514 121.514 113.876 7.638 17780 6605 1 11 . 1 1 41 41 LEU HA H 130 4.464 4.464 5.069 -0.605 17780 6606 1 11 . 1 1 41 41 LEU CA C 130 53.359 53.359 52.470 0.889 17780 6607 1 11 . 1 1 41 41 LEU CB C 130 43.482 43.482 43.884 -0.402 17780 6608 1 11 . 1 1 41 41 LEU H H 130 8.034 8.034 8.092 -0.058 17780 6609 1 11 . 1 1 42 42 GLY N N 131 114.895 114.895 106.791 8.104 17780 6610 1 11 . 1 1 42 42 GLY CA C 131 44.698 44.698 44.727 -0.029 17780 6611 1 11 . 1 1 42 42 GLY H H 131 9.375 9.375 8.576 0.799 17780 6612 1 11 . 1 1 43 43 SER N N 132 113.692 113.692 118.102 -4.410 17780 6613 1 11 . 1 1 43 43 SER HA H 132 4.429 4.429 4.525 -0.096 17780 6614 1 11 . 1 1 43 43 SER CA C 132 58.191 58.191 58.754 -0.563 17780 6615 1 11 . 1 1 43 43 SER CB C 132 63.938 63.938 64.194 -0.256 17780 6616 1 11 . 1 1 43 43 SER H H 132 8.345 8.345 8.233 0.112 17780 6617 1 11 . 1 1 44 44 ALA N N 133 125.505 125.505 123.046 2.459 17780 6618 1 11 . 1 1 44 44 ALA HA H 133 4.437 4.437 4.563 -0.126 17780 6619 1 11 . 1 1 44 44 ALA CA C 133 52.936 52.936 51.735 1.201 17780 6620 1 11 . 1 1 44 44 ALA CB C 133 18.412 18.412 21.485 -3.073 17780 6621 1 11 . 1 1 44 44 ALA H H 133 8.735 8.735 8.132 0.603 17780 6622 1 11 . 1 1 45 45 MET N N 134 120.707 120.707 119.806 0.901 17780 6623 1 11 . 1 1 45 45 MET HA H 134 4.756 4.756 4.889 -0.133 17780 6624 1 11 . 1 1 45 45 MET CA C 134 54.242 54.242 54.540 -0.298 17780 6625 1 11 . 1 1 45 45 MET CB C 134 36.727 36.727 34.904 1.823 17780 6626 1 11 . 1 1 45 45 MET H H 134 8.686 8.686 8.180 0.506 17780 6627 1 11 . 1 1 46 46 SER N N 135 116.235 116.235 116.926 -0.691 17780 6628 1 11 . 1 1 46 46 SER HA H 135 4.375 4.375 4.402 -0.027 17780 6629 1 11 . 1 1 46 46 SER CA C 135 58.410 58.410 58.754 -0.344 17780 6630 1 11 . 1 1 46 46 SER CB C 135 63.016 63.016 63.810 -0.794 17780 6631 1 11 . 1 1 46 46 SER H H 135 8.397 8.397 8.306 0.091 17780 6632 1 11 . 1 1 47 47 ARG N N 136 126.632 126.632 124.735 1.897 17780 6633 1 11 . 1 1 47 47 ARG HA H 136 4.406 4.406 4.522 -0.116 17780 6634 1 11 . 1 1 47 47 ARG CA C 136 54.783 54.783 54.750 0.033 17780 6635 1 11 . 1 1 47 47 ARG CB C 136 29.040 29.040 30.256 -1.216 17780 6636 1 11 . 1 1 47 47 ARG H H 136 8.668 8.668 8.602 0.066 17780 6637 1 11 . 1 1 48 48 PRO HA H 137 4.422 4.422 4.468 -0.046 17780 6638 1 11 . 1 1 48 48 PRO CA C 137 62.327 62.327 62.782 -0.455 17780 6639 1 11 . 1 1 48 48 PRO CB C 137 32.269 32.269 32.540 -0.271 17780 6640 1 11 . 1 1 49 49 ILE N N 138 122.521 122.521 120.968 1.553 17780 6641 1 11 . 1 1 49 49 ILE HA H 138 4.148 4.148 4.106 0.042 17780 6642 1 11 . 1 1 49 49 ILE CA C 138 60.916 60.916 60.847 0.069 17780 6643 1 11 . 1 1 49 49 ILE CB C 138 36.234 36.234 38.804 -2.570 17780 6644 1 11 . 1 1 49 49 ILE H H 138 8.603 8.603 8.049 0.554 17780 6645 1 11 . 1 1 50 50 ILE N N 139 126.683 126.683 125.736 0.947 17780 6646 1 11 . 1 1 50 50 ILE HA H 139 3.927 3.927 3.819 0.108 17780 6647 1 11 . 1 1 50 50 ILE CA C 139 58.700 58.700 58.376 0.324 17780 6648 1 11 . 1 1 50 50 ILE CB C 139 39.345 39.345 41.237 -1.892 17780 6649 1 11 . 1 1 50 50 ILE H H 139 6.514 6.514 7.846 -1.332 17780 6650 1 11 . 1 1 51 51 HIS N N 140 121.997 121.997 120.003 1.994 17780 6651 1 11 . 1 1 51 51 HIS HA H 140 4.918 4.918 4.743 0.175 17780 6652 1 11 . 1 1 51 51 HIS CA C 140 54.065 54.065 54.228 -0.163 17780 6653 1 11 . 1 1 51 51 HIS CB C 140 29.466 29.466 28.069 1.397 17780 6654 1 11 . 1 1 51 51 HIS H H 140 8.203 8.203 7.442 0.761 17780 6655 1 11 . 1 1 52 52 PHE N N 141 124.334 124.334 123.012 1.322 17780 6656 1 11 . 1 1 52 52 PHE HA H 141 4.348 4.348 4.566 -0.218 17780 6657 1 11 . 1 1 52 52 PHE CA C 141 59.251 59.251 59.096 0.155 17780 6658 1 11 . 1 1 52 52 PHE CB C 141 41.448 41.448 40.278 1.170 17780 6659 1 11 . 1 1 52 52 PHE H H 141 10.160 10.160 9.251 0.909 17780 6660 1 11 . 1 1 53 53 GLY N N 142 108.368 108.368 105.963 2.405 17780 6661 1 11 . 1 1 53 53 GLY CA C 142 45.516 45.516 45.993 -0.478 17780 6662 1 11 . 1 1 53 53 GLY H H 142 8.984 8.984 7.836 1.148 17780 6663 1 11 . 1 1 54 54 SER N N 143 111.819 111.819 115.177 -3.358 17780 6664 1 11 . 1 1 54 54 SER HA H 143 4.810 4.810 4.700 0.110 17780 6665 1 11 . 1 1 54 54 SER CA C 143 56.498 56.498 56.529 -0.031 17780 6666 1 11 . 1 1 54 54 SER CB C 143 65.964 65.964 64.479 1.485 17780 6667 1 11 . 1 1 54 54 SER H H 143 7.334 7.334 7.513 -0.179 17780 6668 1 11 . 1 1 55 55 ASP N N 144 124.249 124.249 122.756 1.493 17780 6669 1 11 . 1 1 55 55 ASP HA H 144 4.500 4.500 4.482 0.018 17780 6670 1 11 . 1 1 55 55 ASP CA C 144 57.493 57.493 57.562 -0.070 17780 6671 1 11 . 1 1 55 55 ASP CB C 144 40.664 40.664 40.726 -0.062 17780 6672 1 11 . 1 1 55 55 ASP H H 144 9.014 9.014 8.763 0.251 17780 6673 1 11 . 1 1 56 56 TYR N N 145 118.991 118.991 116.362 2.629 17780 6674 1 11 . 1 1 56 56 TYR HA H 145 4.196 4.196 4.572 -0.376 17780 6675 1 11 . 1 1 56 56 TYR CA C 145 61.351 61.351 59.634 1.717 17780 6676 1 11 . 1 1 56 56 TYR CB C 145 38.075 38.075 37.413 0.662 17780 6677 1 11 . 1 1 56 56 TYR H H 145 8.551 8.551 7.568 0.983 17780 6678 1 11 . 1 1 57 57 GLU N N 146 119.217 119.217 120.759 -1.542 17780 6679 1 11 . 1 1 57 57 GLU HA H 146 3.563 3.563 4.549 -0.986 17780 6680 1 11 . 1 1 57 57 GLU CA C 146 59.921 59.921 59.370 0.552 17780 6681 1 11 . 1 1 57 57 GLU CB C 146 30.297 30.297 29.770 0.527 17780 6682 1 11 . 1 1 57 57 GLU H H 146 7.741 7.741 7.738 0.003 17780 6683 1 11 . 1 1 58 58 ASP N N 147 119.565 119.565 119.405 0.160 17780 6684 1 11 . 1 1 58 58 ASP HA H 147 4.498 4.498 4.794 -0.296 17780 6685 1 11 . 1 1 58 58 ASP CA C 147 58.185 58.185 57.121 1.064 17780 6686 1 11 . 1 1 58 58 ASP CB C 147 40.598 40.598 40.719 -0.121 17780 6687 1 11 . 1 1 58 58 ASP H H 147 8.139 8.139 8.623 -0.484 17780 6688 1 11 . 1 1 59 59 ARG N N 148 120.296 120.296 118.623 1.673 17780 6689 1 11 . 1 1 59 59 ARG HA H 148 4.004 4.004 4.293 -0.289 17780 6690 1 11 . 1 1 59 59 ARG CA C 148 59.393 59.393 58.585 0.808 17780 6691 1 11 . 1 1 59 59 ARG CB C 148 29.910 29.910 30.052 -0.142 17780 6692 1 11 . 1 1 59 59 ARG H H 148 8.181 8.181 7.791 0.390 17780 6693 1 11 . 1 1 60 60 TYR N N 149 121.152 121.152 123.317 -2.165 17780 6694 1 11 . 1 1 60 60 TYR HA H 149 3.819 3.819 4.496 -0.677 17780 6695 1 11 . 1 1 60 60 TYR CA C 149 62.195 62.195 58.947 3.248 17780 6696 1 11 . 1 1 60 60 TYR CB C 149 37.808 37.808 37.983 -0.175 17780 6697 1 11 . 1 1 60 60 TYR H H 149 8.333 8.333 7.707 0.626 17780 6698 1 11 . 1 1 61 61 TYR N N 150 120.365 120.365 120.907 -0.542 17780 6699 1 11 . 1 1 61 61 TYR HA H 150 4.122 4.122 3.542 0.580 17780 6700 1 11 . 1 1 61 61 TYR CA C 150 62.969 62.969 60.499 2.470 17780 6701 1 11 . 1 1 61 61 TYR CB C 150 38.207 38.207 37.775 0.432 17780 6702 1 11 . 1 1 61 61 TYR H H 150 8.942 8.942 8.068 0.874 17780 6703 1 11 . 1 1 62 62 ARG N N 151 117.982 117.982 116.604 1.378 17780 6704 1 11 . 1 1 62 62 ARG HA H 151 3.938 3.938 3.462 0.476 17780 6705 1 11 . 1 1 62 62 ARG CA C 151 59.940 59.940 57.932 2.008 17780 6706 1 11 . 1 1 62 62 ARG CB C 151 29.731 29.731 29.772 -0.041 17780 6707 1 11 . 1 1 62 62 ARG H H 151 7.938 7.938 7.403 0.535 17780 6708 1 11 . 1 1 63 63 GLU N N 152 116.389 116.389 119.218 -2.829 17780 6709 1 11 . 1 1 63 63 GLU HA H 152 4.059 4.059 4.002 0.057 17780 6710 1 11 . 1 1 63 63 GLU CA C 152 57.990 57.990 58.955 -0.965 17780 6711 1 11 . 1 1 63 63 GLU CB C 152 29.915 29.915 29.524 0.391 17780 6712 1 11 . 1 1 63 63 GLU H H 152 8.068 8.068 7.789 0.279 17780 6713 1 11 . 1 1 64 64 ASN N N 153 114.690 114.690 115.840 -1.150 17780 6714 1 11 . 1 1 64 64 ASN HA H 153 4.406 4.406 4.423 -0.017 17780 6715 1 11 . 1 1 64 64 ASN CA C 153 54.814 54.814 53.632 1.182 17780 6716 1 11 . 1 1 64 64 ASN CB C 153 41.178 41.178 38.018 3.160 17780 6717 1 11 . 1 1 64 64 ASN H H 153 7.525 7.525 7.502 0.023 17780 6718 1 11 . 1 1 65 65 MET N N 154 119.058 119.058 121.176 -2.118 17780 6719 1 11 . 1 1 65 65 MET HA H 154 3.417 3.417 3.630 -0.213 17780 6720 1 11 . 1 1 65 65 MET CA C 154 59.193 59.193 58.478 0.715 17780 6721 1 11 . 1 1 65 65 MET CB C 154 30.258 30.258 31.785 -1.527 17780 6722 1 11 . 1 1 65 65 MET H H 154 7.993 7.993 7.300 0.693 17780 6723 1 11 . 1 1 66 66 HIS N N 155 116.083 116.083 118.198 -2.115 17780 6724 1 11 . 1 1 66 66 HIS HA H 155 4.208 4.208 4.267 -0.059 17780 6725 1 11 . 1 1 66 66 HIS CA C 155 57.382 57.382 59.421 -2.039 17780 6726 1 11 . 1 1 66 66 HIS CB C 155 28.955 28.955 29.896 -0.941 17780 6727 1 11 . 1 1 66 66 HIS H H 155 7.988 7.988 7.687 0.301 17780 6728 1 11 . 1 1 67 67 ARG N N 156 118.993 118.993 117.503 1.490 17780 6729 1 11 . 1 1 67 67 ARG HA H 156 4.133 4.133 4.316 -0.183 17780 6730 1 11 . 1 1 67 67 ARG CA C 156 56.135 56.135 57.033 -0.898 17780 6731 1 11 . 1 1 67 67 ARG CB C 156 30.521 30.521 30.359 0.162 17780 6732 1 11 . 1 1 67 67 ARG H H 156 7.488 7.488 7.469 0.019 17780 6733 1 11 . 1 1 68 68 TYR N N 157 121.321 121.321 119.444 1.877 17780 6734 1 11 . 1 1 68 68 TYR HA H 157 4.991 4.991 4.866 0.125 17780 6735 1 11 . 1 1 68 68 TYR CA C 157 52.644 52.644 54.004 -1.360 17780 6736 1 11 . 1 1 68 68 TYR CB C 157 34.873 34.873 37.578 -2.705 17780 6737 1 11 . 1 1 68 68 TYR H H 157 7.433 7.433 7.381 0.052 17780 6738 1 11 . 1 1 69 69 PRO HA H 158 4.338 4.338 4.424 -0.086 17780 6739 1 11 . 1 1 69 69 PRO CA C 158 63.651 63.651 62.756 0.895 17780 6740 1 11 . 1 1 69 69 PRO CB C 158 32.005 32.005 33.086 -1.081 17780 6741 1 11 . 1 1 70 70 ASN N N 159 116.696 116.696 116.519 0.177 17780 6742 1 11 . 1 1 70 70 ASN HA H 159 4.690 4.690 4.703 -0.013 17780 6743 1 11 . 1 1 70 70 ASN CA C 159 51.997 51.997 52.802 -0.805 17780 6744 1 11 . 1 1 70 70 ASN CB C 159 38.375 38.375 39.336 -0.961 17780 6745 1 11 . 1 1 70 70 ASN H H 159 8.673 8.673 8.632 0.041 17780 6746 1 11 . 1 1 71 71 GLN N N 160 114.313 114.313 117.619 -3.306 17780 6747 1 11 . 1 1 71 71 GLN HA H 160 4.523 4.523 4.650 -0.127 17780 6748 1 11 . 1 1 71 71 GLN CA C 160 54.286 54.286 54.905 -0.619 17780 6749 1 11 . 1 1 71 71 GLN CB C 160 32.975 32.975 32.685 0.290 17780 6750 1 11 . 1 1 71 71 GLN H H 160 7.319 7.319 7.510 -0.191 17780 6751 1 11 . 1 1 72 72 VAL N N 161 112.569 112.569 114.417 -1.848 17780 6752 1 11 . 1 1 72 72 VAL HA H 161 4.927 4.927 4.539 0.388 17780 6753 1 11 . 1 1 72 72 VAL CA C 161 58.651 58.651 60.501 -1.850 17780 6754 1 11 . 1 1 72 72 VAL CB C 161 33.812 33.812 34.161 -0.349 17780 6755 1 11 . 1 1 72 72 VAL H H 161 8.477 8.477 8.291 0.186 17780 6756 1 11 . 1 1 73 73 TYR N N 162 121.525 121.525 122.736 -1.211 17780 6757 1 11 . 1 1 73 73 TYR HA H 162 5.507 5.507 5.378 0.129 17780 6758 1 11 . 1 1 73 73 TYR CA C 162 57.133 57.133 55.688 1.445 17780 6759 1 11 . 1 1 73 73 TYR CB C 162 41.970 41.970 41.762 0.208 17780 6760 1 11 . 1 1 73 73 TYR H H 162 8.490 8.490 8.758 -0.268 17780 6761 1 11 . 1 1 74 74 TYR N N 163 111.081 111.081 119.559 -8.478 17780 6762 1 11 . 1 1 74 74 TYR HA H 163 4.758 4.758 5.139 -0.381 17780 6763 1 11 . 1 1 74 74 TYR CA C 163 55.367 55.367 56.745 -1.378 17780 6764 1 11 . 1 1 74 74 TYR CB C 163 40.401 40.401 40.186 0.215 17780 6765 1 11 . 1 1 74 74 TYR H H 163 8.593 8.593 8.547 0.046 17780 6766 1 11 . 1 1 76 76 PRO HA H 165 4.490 4.490 3.896 0.594 17780 6767 1 11 . 1 1 76 76 PRO CA C 165 62.967 62.967 64.990 -2.023 17780 6768 1 11 . 1 1 76 76 PRO CB C 165 32.372 32.372 31.021 1.351 17780 6769 1 11 . 1 1 77 77 MET N N 166 121.408 121.408 114.888 6.520 17780 6770 1 11 . 1 1 77 77 MET HA H 166 4.438 4.438 4.198 0.240 17780 6771 1 11 . 1 1 77 77 MET CA C 166 57.081 57.081 55.468 1.613 17780 6772 1 11 . 1 1 77 77 MET CB C 166 32.165 32.165 30.632 1.533 17780 6773 1 11 . 1 1 77 77 MET H H 166 9.013 9.013 8.075 0.938 17780 6774 1 11 . 1 1 78 78 ASP N N 167 119.933 119.933 118.963 0.970 17780 6775 1 11 . 1 1 78 78 ASP HA H 167 4.754 4.754 4.642 0.112 17780 6776 1 11 . 1 1 78 78 ASP CA C 167 52.485 52.485 56.857 -4.372 17780 6777 1 11 . 1 1 78 78 ASP CB C 167 38.802 38.802 41.638 -2.836 17780 6778 1 11 . 1 1 78 78 ASP H H 167 8.176 8.176 7.678 0.498 17780 6779 1 11 . 1 1 79 79 GLU N N 168 116.934 116.934 116.434 0.500 17780 6780 1 11 . 1 1 79 79 GLU HA H 168 4.308 4.308 4.516 -0.208 17780 6781 1 11 . 1 1 79 79 GLU CA C 168 58.638 58.638 56.173 2.465 17780 6782 1 11 . 1 1 79 79 GLU CB C 168 29.185 29.185 33.188 -4.003 17780 6783 1 11 . 1 1 79 79 GLU H H 168 8.332 8.332 7.543 0.789 17780 6784 1 11 . 1 1 81 81 SER N N 170 116.603 116.603 113.274 3.329 17780 6785 1 11 . 1 1 81 81 SER HA H 170 4.374 4.374 4.453 -0.079 17780 6786 1 11 . 1 1 81 81 SER CA C 170 58.475 58.475 56.547 1.928 17780 6787 1 11 . 1 1 81 81 SER CB C 170 63.677 63.677 65.006 -1.329 17780 6788 1 11 . 1 1 81 81 SER H H 170 8.560 8.560 7.482 1.078 17780 6789 1 11 . 1 1 83 83 GLN N N 172 120.404 120.404 118.789 1.615 17780 6790 1 11 . 1 1 83 83 GLN HA H 172 4.750 4.750 4.543 0.207 17780 6791 1 11 . 1 1 83 83 GLN CA C 172 59.899 59.899 54.939 4.960 17780 6792 1 11 . 1 1 83 83 GLN CB C 172 29.023 29.023 31.981 -2.958 17780 6793 1 11 . 1 1 83 83 GLN H H 172 8.635 8.635 8.077 0.558 17780 6794 1 11 . 1 1 84 84 ASN N N 173 116.470 116.470 119.810 -3.340 17780 6795 1 11 . 1 1 84 84 ASN HA H 173 4.237 4.237 4.367 -0.130 17780 6796 1 11 . 1 1 84 84 ASN CA C 173 56.470 56.470 55.328 1.142 17780 6797 1 11 . 1 1 84 84 ASN CB C 173 37.812 37.812 38.762 -0.950 17780 6798 1 11 . 1 1 84 84 ASN H H 173 8.352 8.352 8.896 -0.544 17780 6799 1 11 . 1 1 85 85 ASN N N 174 118.500 118.500 118.835 -0.335 17780 6800 1 11 . 1 1 85 85 ASN HA H 174 4.534 4.534 4.589 -0.055 17780 6801 1 11 . 1 1 85 85 ASN CA C 174 55.905 55.905 54.939 0.966 17780 6802 1 11 . 1 1 85 85 ASN CB C 174 37.760 37.760 38.036 -0.277 17780 6803 1 11 . 1 1 85 85 ASN H H 174 8.602 8.602 8.520 0.082 17780 6804 1 11 . 1 1 86 86 PHE CB C 175 39.641 39.641 38.040 1.601 17780 6805 1 11 . 1 1 87 87 VAL N N 176 120.134 120.134 120.963 -0.829 17780 6806 1 11 . 1 1 87 87 VAL HA H 176 3.564 3.564 2.515 1.049 17780 6807 1 11 . 1 1 87 87 VAL CA C 176 67.737 67.737 65.577 2.160 17780 6808 1 11 . 1 1 87 87 VAL CB C 176 31.951 31.951 30.809 1.142 17780 6809 1 11 . 1 1 87 87 VAL H H 176 9.002 9.002 7.309 1.693 17780 6810 1 11 . 1 1 88 88 HIS N N 177 117.217 117.217 118.515 -1.298 17780 6811 1 11 . 1 1 88 88 HIS HA H 177 4.304 4.304 4.074 0.230 17780 6812 1 11 . 1 1 88 88 HIS CA C 177 59.781 59.781 60.233 -0.452 17780 6813 1 11 . 1 1 88 88 HIS CB C 177 28.264 28.264 29.428 -1.164 17780 6814 1 11 . 1 1 88 88 HIS H H 177 8.330 8.330 8.082 0.248 17780 6815 1 11 . 1 1 89 89 ASP N N 178 118.497 118.497 119.538 -1.041 17780 6816 1 11 . 1 1 89 89 ASP HA H 178 4.500 4.500 4.509 -0.009 17780 6817 1 11 . 1 1 89 89 ASP CA C 178 57.423 57.423 56.903 0.520 17780 6818 1 11 . 1 1 89 89 ASP CB C 178 41.792 41.792 41.061 0.731 17780 6819 1 11 . 1 1 89 89 ASP H H 178 7.696 7.696 7.865 -0.170 17780 6820 1 11 . 1 1 90 90 CYS N N 179 119.012 119.012 120.137 -1.125 17780 6821 1 11 . 1 1 90 90 CYS HA H 179 4.753 4.753 4.468 0.285 17780 6822 1 11 . 1 1 90 90 CYS CA C 179 58.466 58.466 61.985 -3.519 17780 6823 1 11 . 1 1 90 90 CYS CB C 179 40.758 40.758 25.715 15.043 17780 6824 1 11 . 1 1 90 90 CYS H H 179 8.037 8.037 7.564 0.473 17780 6825 1 11 . 1 1 91 91 VAL N N 180 125.063 125.063 120.799 4.264 17780 6826 1 11 . 1 1 91 91 VAL HA H 180 3.667 3.667 3.657 0.010 17780 6827 1 11 . 1 1 91 91 VAL CA C 180 66.293 66.293 66.201 0.092 17780 6828 1 11 . 1 1 91 91 VAL CB C 180 32.028 32.028 31.253 0.775 17780 6829 1 11 . 1 1 91 91 VAL H H 180 9.212 9.212 8.515 0.697 17780 6830 1 11 . 1 1 92 92 ASN N N 181 116.153 116.153 119.221 -3.068 17780 6831 1 11 . 1 1 92 92 ASN HA H 181 4.311 4.311 4.407 -0.096 17780 6832 1 11 . 1 1 92 92 ASN CA C 181 56.622 56.622 56.264 0.358 17780 6833 1 11 . 1 1 92 92 ASN CB C 181 38.749 38.749 38.224 0.525 17780 6834 1 11 . 1 1 92 92 ASN H H 181 7.626 7.626 7.557 0.069 17780 6835 1 11 . 1 1 93 93 ILE N N 182 118.637 118.637 120.013 -1.376 17780 6836 1 11 . 1 1 93 93 ILE HA H 182 3.787 3.787 3.663 0.124 17780 6837 1 11 . 1 1 93 93 ILE CA C 182 62.078 62.078 64.062 -1.984 17780 6838 1 11 . 1 1 93 93 ILE CB C 182 36.535 36.535 36.492 0.043 17780 6839 1 11 . 1 1 93 93 ILE H H 182 8.610 8.610 8.555 0.055 17780 6840 1 11 . 1 1 94 94 THR N N 183 118.229 118.229 117.638 0.591 17780 6841 1 11 . 1 1 94 94 THR HA H 183 4.097 4.097 3.968 0.129 17780 6842 1 11 . 1 1 94 94 THR CA C 183 68.834 68.834 67.265 1.569 17780 6843 1 11 . 1 1 94 94 THR CB C 183 68.258 68.258 68.741 -0.483 17780 6844 1 11 . 1 1 94 94 THR H H 183 8.140 8.140 8.179 -0.039 17780 6845 1 11 . 1 1 95 95 ILE N N 184 120.906 120.906 121.265 -0.359 17780 6846 1 11 . 1 1 95 95 ILE HA H 184 3.666 3.666 3.891 -0.225 17780 6847 1 11 . 1 1 95 95 ILE CA C 184 66.259 66.259 63.112 3.147 17780 6848 1 11 . 1 1 95 95 ILE CB C 184 36.824 36.824 37.981 -1.157 17780 6849 1 11 . 1 1 95 95 ILE H H 184 8.450 8.450 7.815 0.635 17780 6850 1 11 . 1 1 96 96 LYS N N 185 123.208 123.208 121.487 1.721 17780 6851 1 11 . 1 1 96 96 LYS HA H 185 4.067 4.067 3.847 0.220 17780 6852 1 11 . 1 1 96 96 LYS CA C 185 59.987 59.987 60.242 -0.255 17780 6853 1 11 . 1 1 96 96 LYS CB C 185 32.119 32.119 32.170 -0.051 17780 6854 1 11 . 1 1 96 96 LYS H H 185 8.067 8.067 8.518 -0.451 17780 6855 1 11 . 1 1 97 97 GLN N N 186 116.879 116.879 118.195 -1.316 17780 6856 1 11 . 1 1 97 97 GLN HA H 186 4.059 4.059 3.973 0.086 17780 6857 1 11 . 1 1 97 97 GLN CA C 186 58.010 58.010 58.895 -0.885 17780 6858 1 11 . 1 1 97 97 GLN CB C 186 27.982 27.982 28.173 -0.191 17780 6859 1 11 . 1 1 97 97 GLN H H 186 8.493 8.493 8.319 0.174 17780 6860 1 11 . 1 1 98 98 HIS N N 187 119.676 119.676 121.118 -1.442 17780 6861 1 11 . 1 1 98 98 HIS HA H 187 4.579 4.579 4.412 0.167 17780 6862 1 11 . 1 1 98 98 HIS CA C 187 59.465 59.465 59.593 -0.128 17780 6863 1 11 . 1 1 98 98 HIS CB C 187 31.628 31.628 29.742 1.886 17780 6864 1 11 . 1 1 98 98 HIS H H 187 8.435 8.435 7.622 0.813 17780 6865 1 11 . 1 1 99 99 THR N N 188 114.500 114.500 115.950 -1.450 17780 6866 1 11 . 1 1 99 99 THR HA H 188 4.090 4.090 3.825 0.265 17780 6867 1 11 . 1 1 99 99 THR CA C 188 66.210 66.210 65.293 0.917 17780 6868 1 11 . 1 1 99 99 THR CB C 188 68.800 68.800 68.443 0.357 17780 6869 1 11 . 1 1 99 99 THR H H 188 8.440 8.440 8.459 -0.019 17780 6870 1 11 . 1 1 100 100 VAL N N 189 122.934 122.934 121.166 1.768 17780 6871 1 11 . 1 1 100 100 VAL HA H 189 3.838 3.838 3.819 0.019 17780 6872 1 11 . 1 1 100 100 VAL CA C 189 65.832 65.832 65.389 0.443 17780 6873 1 11 . 1 1 100 100 VAL CB C 189 31.897 31.897 31.482 0.415 17780 6874 1 11 . 1 1 100 100 VAL H H 189 8.057 8.057 8.056 0.001 17780 6875 1 11 . 1 1 101 101 THR N N 190 115.101 115.101 112.333 2.768 17780 6876 1 11 . 1 1 101 101 THR HA H 190 4.140 4.140 4.034 0.106 17780 6877 1 11 . 1 1 101 101 THR CA C 190 64.907 64.907 66.175 -1.268 17780 6878 1 11 . 1 1 101 101 THR CB C 190 69.041 69.041 68.507 0.534 17780 6879 1 11 . 1 1 101 101 THR H H 190 8.131 8.131 7.592 0.539 17780 6880 1 11 . 1 1 102 102 THR N N 191 114.546 114.546 119.640 -5.094 17780 6881 1 11 . 1 1 102 102 THR HA H 191 4.092 4.092 3.768 0.324 17780 6882 1 11 . 1 1 102 102 THR CA C 191 64.801 64.801 67.399 -2.598 17780 6883 1 11 . 1 1 102 102 THR CB C 191 69.145 69.145 68.508 0.637 17780 6884 1 11 . 1 1 102 102 THR H H 191 8.011 8.011 7.720 0.291 17780 6885 1 11 . 1 1 103 103 THR N N 192 117.876 117.876 113.509 4.367 17780 6886 1 11 . 1 1 103 103 THR HA H 192 4.373 4.373 4.638 -0.265 17780 6887 1 11 . 1 1 103 103 THR CA C 192 64.935 64.935 64.805 0.130 17780 6888 1 11 . 1 1 103 103 THR CB C 192 69.043 69.043 68.830 0.213 17780 6889 1 11 . 1 1 103 103 THR H H 192 8.224 8.224 7.577 0.647 17780 6890 1 11 . 1 1 104 104 THR N N 193 116.232 116.232 117.909 -1.677 17780 6891 1 11 . 1 1 104 104 THR HA H 193 4.204 4.204 4.095 0.110 17780 6892 1 11 . 1 1 104 104 THR CA C 193 64.311 64.311 65.372 -1.061 17780 6893 1 11 . 1 1 104 104 THR CB C 193 68.981 68.981 68.807 0.174 17780 6894 1 11 . 1 1 104 104 THR H H 193 7.805 7.805 7.720 0.085 17780 6895 1 11 . 1 1 105 105 LYS N N 194 119.843 119.843 118.694 1.149 17780 6896 1 11 . 1 1 105 105 LYS HA H 194 4.384 4.384 4.371 0.013 17780 6897 1 11 . 1 1 105 105 LYS CA C 194 56.220 56.220 55.447 0.773 17780 6898 1 11 . 1 1 105 105 LYS CB C 194 32.527 32.527 32.402 0.125 17780 6899 1 11 . 1 1 105 105 LYS H H 194 7.504 7.504 7.705 -0.201 17780 6900 1 11 . 1 1 106 106 GLY N N 195 107.946 107.946 107.743 0.203 17780 6901 1 11 . 1 1 106 106 GLY CA C 195 45.431 45.431 45.153 0.278 17780 6902 1 11 . 1 1 106 106 GLY H H 195 7.924 7.924 7.606 0.318 17780 6903 1 11 . 1 1 107 107 GLU N N 196 120.063 120.063 120.245 -0.182 17780 6904 1 11 . 1 1 107 107 GLU HA H 196 4.255 4.255 4.676 -0.421 17780 6905 1 11 . 1 1 107 107 GLU CA C 196 55.597 55.597 54.793 0.804 17780 6906 1 11 . 1 1 107 107 GLU CB C 196 31.073 31.073 32.493 -1.420 17780 6907 1 11 . 1 1 107 107 GLU H H 196 7.465 7.465 8.348 -0.883 17780 6908 1 11 . 1 1 108 108 ASN N N 197 119.350 119.350 118.145 1.205 17780 6909 1 11 . 1 1 108 108 ASN HA H 197 4.657 4.657 5.049 -0.392 17780 6910 1 11 . 1 1 108 108 ASN CA C 197 52.673 52.673 53.222 -0.549 17780 6911 1 11 . 1 1 108 108 ASN CB C 197 40.827 40.827 40.035 0.791 17780 6912 1 11 . 1 1 108 108 ASN H H 197 8.458 8.458 8.585 -0.127 17780 6913 1 11 . 1 1 109 109 PHE N N 198 121.688 121.688 120.481 1.207 17780 6914 1 11 . 1 1 109 109 PHE HA H 198 5.317 5.317 4.844 0.473 17780 6915 1 11 . 1 1 109 109 PHE CA C 198 56.571 56.571 56.487 0.084 17780 6916 1 11 . 1 1 109 109 PHE CB C 198 40.093 40.093 42.703 -2.610 17780 6917 1 11 . 1 1 109 109 PHE H H 198 8.709 8.709 8.428 0.281 17780 6918 1 11 . 1 1 110 110 THR N N 199 115.904 115.904 115.393 0.511 17780 6919 1 11 . 1 1 110 110 THR HA H 199 4.624 4.624 4.652 -0.028 17780 6920 1 11 . 1 1 110 110 THR CA C 199 60.343 60.343 61.325 -0.982 17780 6921 1 11 . 1 1 110 110 THR CB C 199 72.033 72.033 70.624 1.409 17780 6922 1 11 . 1 1 110 110 THR H H 199 9.547 9.547 8.875 0.672 17780 6923 1 11 . 1 1 111 111 GLU N N 200 119.988 119.988 120.719 -0.731 17780 6924 1 11 . 1 1 111 111 GLU HA H 200 4.067 4.067 4.055 0.012 17780 6925 1 11 . 1 1 111 111 GLU CA C 200 60.027 60.027 59.687 0.340 17780 6926 1 11 . 1 1 111 111 GLU CB C 200 28.976 28.976 28.705 0.271 17780 6927 1 11 . 1 1 111 111 GLU H H 200 9.132 9.132 9.035 0.097 17780 6928 1 11 . 1 1 112 112 THR N N 201 116.221 116.221 116.280 -0.059 17780 6929 1 11 . 1 1 112 112 THR HA H 201 3.796 3.796 4.115 -0.319 17780 6930 1 11 . 1 1 112 112 THR CA C 201 66.781 66.781 66.944 -0.163 17780 6931 1 11 . 1 1 112 112 THR CB C 201 68.581 68.581 68.272 0.309 17780 6932 1 11 . 1 1 112 112 THR H H 201 7.934 7.934 8.150 -0.216 17780 6933 1 11 . 1 1 113 113 ASP N N 202 120.001 120.001 123.203 -3.202 17780 6934 1 11 . 1 1 113 113 ASP HA H 202 4.598 4.598 4.570 0.028 17780 6935 1 11 . 1 1 113 113 ASP CA C 202 57.984 57.984 58.241 -0.257 17780 6936 1 11 . 1 1 113 113 ASP CB C 202 41.756 41.756 41.120 0.636 17780 6937 1 11 . 1 1 113 113 ASP H H 202 7.503 7.503 8.085 -0.582 17780 6938 1 11 . 1 1 114 114 VAL N N 203 119.529 119.529 119.857 -0.328 17780 6939 1 11 . 1 1 114 114 VAL HA H 203 3.279 3.279 3.510 -0.231 17780 6940 1 11 . 1 1 114 114 VAL CA C 203 67.817 67.817 66.582 1.235 17780 6941 1 11 . 1 1 114 114 VAL CB C 203 31.528 31.528 31.704 -0.176 17780 6942 1 11 . 1 1 114 114 VAL H H 203 8.209 8.209 7.756 0.453 17780 6943 1 11 . 1 1 115 115 LYS N N 204 119.051 119.051 120.370 -1.319 17780 6944 1 11 . 1 1 115 115 LYS HA H 204 4.082 4.082 4.241 -0.159 17780 6945 1 11 . 1 1 115 115 LYS CA C 204 59.268 59.268 59.349 -0.081 17780 6946 1 11 . 1 1 115 115 LYS CB C 204 31.979 31.979 32.719 -0.740 17780 6947 1 11 . 1 1 115 115 LYS H H 204 7.714 7.714 8.080 -0.366 17780 6948 1 11 . 1 1 116 116 MET N N 205 118.581 118.581 116.805 1.776 17780 6949 1 11 . 1 1 116 116 MET HA H 205 4.167 4.167 4.441 -0.274 17780 6950 1 11 . 1 1 116 116 MET CA C 205 59.984 59.984 58.589 1.395 17780 6951 1 11 . 1 1 116 116 MET CB C 205 32.933 32.933 33.199 -0.266 17780 6952 1 11 . 1 1 116 116 MET H H 205 8.182 8.182 8.255 -0.073 17780 6953 1 11 . 1 1 117 117 MET N N 206 118.259 118.259 117.586 0.673 17780 6954 1 11 . 1 1 117 117 MET HA H 206 3.561 3.561 4.115 -0.554 17780 6955 1 11 . 1 1 117 117 MET CA C 206 59.967 59.967 58.402 1.565 17780 6956 1 11 . 1 1 117 117 MET CB C 206 33.824 33.824 31.866 1.958 17780 6957 1 11 . 1 1 117 117 MET H H 206 8.691 8.691 7.962 0.729 17780 6958 1 11 . 1 1 118 118 GLU N N 207 118.878 118.878 120.351 -1.473 17780 6959 1 11 . 1 1 118 118 GLU HA H 207 3.658 3.658 3.878 -0.220 17780 6960 1 11 . 1 1 118 118 GLU CA C 207 60.702 60.702 59.441 1.261 17780 6961 1 11 . 1 1 118 118 GLU CB C 207 29.000 29.000 29.389 -0.389 17780 6962 1 11 . 1 1 118 118 GLU H H 207 8.544 8.544 8.111 0.433 17780 6963 1 11 . 1 1 119 119 ARG N N 208 116.694 116.694 117.539 -0.845 17780 6964 1 11 . 1 1 119 119 ARG HA H 208 4.228 4.228 4.038 0.190 17780 6965 1 11 . 1 1 119 119 ARG CA C 208 58.554 58.554 58.980 -0.426 17780 6966 1 11 . 1 1 119 119 ARG CB C 208 30.136 30.136 29.767 0.369 17780 6967 1 11 . 1 1 119 119 ARG H H 208 7.289 7.289 7.719 -0.430 17780 6968 1 11 . 1 1 120 120 VAL N N 209 119.035 119.035 116.664 2.371 17780 6969 1 11 . 1 1 120 120 VAL HA H 209 3.837 3.837 4.051 -0.214 17780 6970 1 11 . 1 1 120 120 VAL CA C 209 65.766 65.766 65.428 0.338 17780 6971 1 11 . 1 1 120 120 VAL CB C 209 32.213 32.213 31.590 0.623 17780 6972 1 11 . 1 1 120 120 VAL H H 209 8.279 8.279 7.419 0.860 17780 6973 1 11 . 1 1 121 121 VAL N N 210 121.668 121.668 117.840 3.828 17780 6974 1 11 . 1 1 121 121 VAL HA H 210 3.597 3.597 3.791 -0.194 17780 6975 1 11 . 1 1 121 121 VAL CA C 210 66.639 66.639 65.873 0.766 17780 6976 1 11 . 1 1 121 121 VAL CB C 210 31.097 31.097 30.730 0.367 17780 6977 1 11 . 1 1 121 121 VAL H H 210 9.183 9.183 7.703 1.480 17780 6978 1 11 . 1 1 122 122 GLU N N 211 120.770 120.770 120.459 0.311 17780 6979 1 11 . 1 1 122 122 GLU HA H 211 3.603 3.603 3.807 -0.204 17780 6980 1 11 . 1 1 122 122 GLU CA C 211 61.132 61.132 60.150 0.982 17780 6981 1 11 . 1 1 122 122 GLU CB C 211 29.153 29.153 29.025 0.128 17780 6982 1 11 . 1 1 122 122 GLU H H 211 8.041 8.041 7.714 0.327 17780 6983 1 11 . 1 1 123 123 GLN N N 212 114.580 114.580 117.260 -2.680 17780 6984 1 11 . 1 1 123 123 GLN HA H 212 3.662 3.662 4.110 -0.448 17780 6985 1 11 . 1 1 123 123 GLN CA C 212 58.509 58.509 57.826 0.683 17780 6986 1 11 . 1 1 123 123 GLN CB C 212 27.824 27.824 28.043 -0.219 17780 6987 1 11 . 1 1 123 123 GLN H H 212 7.096 7.096 7.936 -0.840 17780 6988 1 11 . 1 1 124 124 MET N N 213 119.748 119.748 120.969 -1.221 17780 6989 1 11 . 1 1 124 124 MET HA H 213 4.167 4.167 4.238 -0.071 17780 6990 1 11 . 1 1 124 124 MET CA C 213 59.928 59.928 58.782 1.146 17780 6991 1 11 . 1 1 124 124 MET CB C 213 34.529 34.529 32.662 1.867 17780 6992 1 11 . 1 1 124 124 MET H H 213 8.145 8.145 7.809 0.336 17780 6993 1 11 . 1 1 125 125 CYS N N 214 119.538 119.538 119.396 0.142 17780 6994 1 11 . 1 1 125 125 CYS HA H 214 4.427 4.427 4.213 0.214 17780 6995 1 11 . 1 1 125 125 CYS CA C 214 59.838 59.838 62.257 -2.419 17780 6996 1 11 . 1 1 125 125 CYS CB C 214 41.798 41.798 25.630 16.168 17780 6997 1 11 . 1 1 125 125 CYS H H 214 9.275 9.275 8.085 1.190 17780 6998 1 11 . 1 1 126 126 ILE N N 215 123.982 123.982 120.503 3.479 17780 6999 1 11 . 1 1 126 126 ILE HA H 215 3.579 3.579 3.829 -0.250 17780 7000 1 11 . 1 1 126 126 ILE CA C 215 66.649 66.649 65.427 1.222 17780 7001 1 11 . 1 1 126 126 ILE CB C 215 38.152 38.152 37.820 0.332 17780 7002 1 11 . 1 1 126 126 ILE H H 215 8.434 8.434 7.609 0.825 17780 7003 1 11 . 1 1 127 127 THR N N 216 118.728 118.728 116.427 2.301 17780 7004 1 11 . 1 1 127 127 THR HA H 216 3.835 3.835 3.939 -0.104 17780 7005 1 11 . 1 1 127 127 THR CA C 216 67.425 67.425 66.743 0.682 17780 7006 1 11 . 1 1 127 127 THR CB C 216 68.035 68.035 68.254 -0.219 17780 7007 1 11 . 1 1 127 127 THR H H 216 8.097 8.097 7.707 0.390 17780 7008 1 11 . 1 1 128 128 GLN N N 217 122.368 122.368 119.933 2.435 17780 7009 1 11 . 1 1 128 128 GLN HA H 217 3.662 3.662 4.150 -0.488 17780 7010 1 11 . 1 1 128 128 GLN CA C 217 58.462 58.462 57.807 0.655 17780 7011 1 11 . 1 1 128 128 GLN CB C 217 28.075 28.075 28.332 -0.257 17780 7012 1 11 . 1 1 128 128 GLN H H 217 8.637 8.637 7.608 1.029 17780 7013 1 11 . 1 1 129 129 TYR N N 218 121.512 121.512 123.239 -1.727 17780 7014 1 11 . 1 1 129 129 TYR HA H 218 2.929 2.929 4.011 -1.082 17780 7015 1 11 . 1 1 129 129 TYR CA C 218 61.904 61.904 60.688 1.216 17780 7016 1 11 . 1 1 129 129 TYR CB C 218 37.075 37.075 38.371 -1.296 17780 7017 1 11 . 1 1 129 129 TYR H H 218 8.705 8.705 8.870 -0.165 17780 7018 1 11 . 1 1 130 130 LYS N N 219 120.801 120.801 116.461 4.340 17780 7019 1 11 . 1 1 130 130 LYS HA H 219 3.667 3.667 3.849 -0.182 17780 7020 1 11 . 1 1 130 130 LYS CA C 219 60.001 60.001 57.012 2.989 17780 7021 1 11 . 1 1 130 130 LYS CB C 219 31.732 31.732 31.754 -0.022 17780 7022 1 11 . 1 1 130 130 LYS H H 219 8.232 8.232 8.129 0.103 17780 7023 1 11 . 1 1 131 131 ARG HA H 220 3.978 3.978 4.112 -0.134 17780 7024 1 11 . 1 1 131 131 ARG CA C 220 59.013 59.013 58.543 0.470 17780 7025 1 11 . 1 1 131 131 ARG CB C 220 30.028 30.028 30.064 -0.036 17780 7026 1 11 . 1 1 132 132 GLU N N 221 119.690 119.690 118.219 1.471 17780 7027 1 11 . 1 1 132 132 GLU HA H 221 4.035 4.035 4.091 -0.056 17780 7028 1 11 . 1 1 132 132 GLU CA C 221 58.006 58.006 58.333 -0.327 17780 7029 1 11 . 1 1 132 132 GLU CB C 221 29.270 29.270 29.363 -0.093 17780 7030 1 11 . 1 1 132 132 GLU H H 221 8.521 8.521 8.473 0.048 17780 7031 1 11 . 1 1 133 133 SER N N 222 115.963 115.963 114.906 1.057 17780 7032 1 11 . 1 1 133 133 SER HA H 222 3.884 3.884 3.931 -0.047 17780 7033 1 11 . 1 1 133 133 SER CA C 222 61.500 61.500 61.350 0.150 17780 7034 1 11 . 1 1 133 133 SER CB C 222 62.207 62.207 62.255 -0.048 17780 7035 1 11 . 1 1 133 133 SER H H 222 8.543 8.543 8.139 0.404 17780 7036 1 11 . 1 1 134 134 GLN N N 223 120.695 120.695 120.847 -0.152 17780 7037 1 11 . 1 1 134 134 GLN HA H 223 4.152 4.152 3.675 0.477 17780 7038 1 11 . 1 1 134 134 GLN CA C 223 58.646 58.646 58.178 0.468 17780 7039 1 11 . 1 1 134 134 GLN CB C 223 28.299 28.299 28.304 -0.005 17780 7040 1 11 . 1 1 134 134 GLN H H 223 7.486 7.486 7.253 0.233 17780 7041 1 11 . 1 1 135 135 ALA N N 224 120.905 120.905 121.189 -0.284 17780 7042 1 11 . 1 1 135 135 ALA HA H 224 4.169 4.169 4.123 0.046 17780 7043 1 11 . 1 1 135 135 ALA CA C 224 54.404 54.404 54.437 -0.033 17780 7044 1 11 . 1 1 135 135 ALA CB C 224 18.233 18.233 18.341 -0.108 17780 7045 1 11 . 1 1 135 135 ALA H H 224 7.497 7.497 7.382 0.115 17780 7046 1 11 . 1 1 136 136 TYR N N 225 119.969 119.969 120.614 -0.645 17780 7047 1 11 . 1 1 136 136 TYR HA H 225 4.080 4.080 4.153 -0.073 17780 7048 1 11 . 1 1 136 136 TYR CA C 225 61.060 61.060 61.323 -0.263 17780 7049 1 11 . 1 1 136 136 TYR CB C 225 39.008 39.008 38.663 0.345 17780 7050 1 11 . 1 1 136 136 TYR H H 225 8.215 8.215 7.658 0.557 17780 7051 1 11 . 1 1 137 137 TYR N N 226 117.988 117.988 117.179 0.809 17780 7052 1 11 . 1 1 137 137 TYR HA H 226 4.319 4.319 4.081 0.238 17780 7053 1 11 . 1 1 137 137 TYR CA C 226 59.543 59.543 58.490 1.052 17780 7054 1 11 . 1 1 137 137 TYR CB C 226 37.769 37.769 36.698 1.071 17780 7055 1 11 . 1 1 137 137 TYR H H 226 8.022 8.022 8.426 -0.404 17780 7056 1 11 . 1 1 138 138 GLN N N 227 118.911 118.911 118.574 0.337 17780 7057 1 11 . 1 1 138 138 GLN HA H 227 4.189 4.189 4.122 0.067 17780 7058 1 11 . 1 1 138 138 GLN CA C 227 57.002 57.002 57.675 -0.673 17780 7059 1 11 . 1 1 138 138 GLN CB C 227 28.740 28.740 27.745 0.995 17780 7060 1 11 . 1 1 138 138 GLN H H 227 7.838 7.838 7.664 0.174 17780 7061 1 11 . 1 1 139 139 ARG N N 228 119.910 119.910 118.634 1.276 17780 7062 1 11 . 1 1 139 139 ARG HA H 228 4.207 4.207 4.204 0.003 17780 7063 1 11 . 1 1 139 139 ARG CA C 228 57.338 57.338 57.002 0.336 17780 7064 1 11 . 1 1 139 139 ARG CB C 228 30.390 30.390 30.199 0.191 17780 7065 1 11 . 1 1 139 139 ARG H H 228 7.862 7.862 7.894 -0.032 17780 7066 1 11 . 1 1 140 140 GLY N N 229 108.627 108.627 106.253 2.374 17780 7067 1 11 . 1 1 140 140 GLY CA C 229 45.477 45.477 45.078 0.399 17780 7068 1 11 . 1 1 140 140 GLY H H 229 8.092 8.092 7.694 0.398 17780 7069 1 11 . 1 1 141 141 SER N N 230 115.141 115.141 115.515 -0.374 17780 7070 1 11 . 1 1 141 141 SER HA H 230 4.330 4.330 4.773 -0.443 17780 7071 1 11 . 1 1 141 141 SER CA C 230 58.650 58.650 57.421 1.229 17780 7072 1 11 . 1 1 141 141 SER CB C 230 63.641 63.641 64.888 -1.247 17780 7073 1 11 . 1 1 141 141 SER H H 230 8.050 8.050 7.517 0.533 17780 7074 1 12 . 1 1 2 2 GLN N N 91 119.729 119.729 118.390 1.339 17780 7075 1 12 . 1 1 2 2 GLN HA H 91 4.407 4.407 5.241 -0.834 17780 7076 1 12 . 1 1 2 2 GLN CA C 91 55.969 55.969 55.417 0.552 17780 7077 1 12 . 1 1 2 2 GLN CB C 91 29.576 29.576 30.419 -0.843 17780 7078 1 12 . 1 1 2 2 GLN H H 91 8.267 8.267 10.411 -2.144 17780 7079 1 12 . 1 1 3 3 GLY N N 92 110.081 110.081 107.134 2.947 17780 7080 1 12 . 1 1 3 3 GLY CA C 92 45.115 45.115 45.003 0.112 17780 7081 1 12 . 1 1 3 3 GLY H H 92 8.515 8.515 8.443 0.072 17780 7082 1 12 . 1 1 4 4 GLY N N 93 108.748 108.748 108.015 0.733 17780 7083 1 12 . 1 1 4 4 GLY CA C 93 45.228 45.228 44.568 0.660 17780 7084 1 12 . 1 1 4 4 GLY H H 93 8.331 8.331 8.221 0.110 17780 7085 1 12 . 1 1 5 5 GLY N N 94 108.857 108.857 107.468 1.389 17780 7086 1 12 . 1 1 5 5 GLY CA C 94 45.172 45.172 45.068 0.104 17780 7087 1 12 . 1 1 5 5 GLY H H 94 8.362 8.362 8.388 -0.026 17780 7088 1 12 . 1 1 6 6 THR N N 95 113.538 113.538 112.098 1.440 17780 7089 1 12 . 1 1 6 6 THR HA H 95 4.282 4.282 4.908 -0.626 17780 7090 1 12 . 1 1 6 6 THR CA C 95 61.906 61.906 61.426 0.480 17780 7091 1 12 . 1 1 6 6 THR CB C 95 69.711 69.711 70.665 -0.954 17780 7092 1 12 . 1 1 6 6 THR H H 95 8.129 8.129 8.372 -0.243 17780 7093 1 12 . 1 1 7 7 HIS N N 96 121.027 121.027 118.417 2.610 17780 7094 1 12 . 1 1 7 7 HIS HA H 96 4.713 4.713 4.847 -0.134 17780 7095 1 12 . 1 1 7 7 HIS CA C 96 55.169 55.169 55.176 -0.007 17780 7096 1 12 . 1 1 7 7 HIS CB C 96 29.575 29.575 31.261 -1.686 17780 7097 1 12 . 1 1 7 7 HIS H H 96 8.497 8.497 8.182 0.315 17780 7098 1 12 . 1 1 8 8 SER N N 97 117.031 117.031 117.144 -0.113 17780 7099 1 12 . 1 1 8 8 SER HA H 97 4.405 4.405 4.727 -0.322 17780 7100 1 12 . 1 1 8 8 SER CA C 97 58.379 58.379 58.069 0.310 17780 7101 1 12 . 1 1 8 8 SER CB C 97 63.535 63.535 64.134 -0.599 17780 7102 1 12 . 1 1 8 8 SER H H 97 8.275 8.275 8.702 -0.427 17780 7103 1 12 . 1 1 9 9 GLN N N 98 122.084 122.084 121.513 0.571 17780 7104 1 12 . 1 1 9 9 GLN HA H 98 4.279 4.279 4.749 -0.470 17780 7105 1 12 . 1 1 9 9 GLN CA C 98 55.970 55.970 55.451 0.519 17780 7106 1 12 . 1 1 9 9 GLN CB C 98 29.157 29.157 30.231 -1.074 17780 7107 1 12 . 1 1 9 9 GLN H H 98 8.462 8.462 8.530 -0.068 17780 7108 1 12 . 1 1 10 10 TRP N N 99 121.630 121.630 122.999 -1.369 17780 7109 1 12 . 1 1 10 10 TRP HA H 99 4.676 4.676 4.779 -0.103 17780 7110 1 12 . 1 1 10 10 TRP CA C 99 57.046 57.046 57.693 -0.647 17780 7111 1 12 . 1 1 10 10 TRP CB C 99 29.440 29.440 30.641 -1.201 17780 7112 1 12 . 1 1 10 10 TRP H H 99 8.086 8.086 8.313 -0.227 17780 7113 1 12 . 1 1 11 11 ASN N N 100 120.591 120.591 120.558 0.033 17780 7114 1 12 . 1 1 11 11 ASN HA H 100 4.602 4.602 4.158 0.444 17780 7115 1 12 . 1 1 11 11 ASN CA C 100 52.675 52.675 51.495 1.180 17780 7116 1 12 . 1 1 11 11 ASN CB C 100 38.781 38.781 40.267 -1.486 17780 7117 1 12 . 1 1 11 11 ASN H H 100 8.095 8.095 7.652 0.443 17780 7118 1 12 . 1 1 12 12 LYS N N 101 122.656 122.656 120.766 1.890 17780 7119 1 12 . 1 1 12 12 LYS HA H 101 4.435 4.435 4.066 0.369 17780 7120 1 12 . 1 1 12 12 LYS CA C 101 54.139 54.139 54.414 -0.275 17780 7121 1 12 . 1 1 12 12 LYS CB C 101 32.474 32.474 32.459 0.015 17780 7122 1 12 . 1 1 12 12 LYS H H 101 7.985 7.985 7.947 0.037 17780 7123 1 12 . 1 1 13 13 PRO HA H 102 4.425 4.425 4.300 0.125 17780 7124 1 12 . 1 1 13 13 PRO CA C 102 63.065 63.065 63.644 -0.579 17780 7125 1 12 . 1 1 13 13 PRO CB C 102 32.056 32.056 32.469 -0.413 17780 7126 1 12 . 1 1 14 14 SER N N 103 116.881 116.881 112.377 4.504 17780 7127 1 12 . 1 1 14 14 SER HA H 103 4.430 4.430 4.513 -0.083 17780 7128 1 12 . 1 1 14 14 SER CA C 103 57.973 57.973 57.590 0.383 17780 7129 1 12 . 1 1 14 14 SER CB C 103 63.669 63.669 63.943 -0.274 17780 7130 1 12 . 1 1 14 14 SER H H 103 8.420 8.420 7.518 0.902 17780 7131 1 12 . 1 1 15 15 LYS N N 104 124.163 124.163 121.742 2.421 17780 7132 1 12 . 1 1 15 15 LYS HA H 104 4.620 4.620 4.746 -0.126 17780 7133 1 12 . 1 1 15 15 LYS CA C 104 54.160 54.160 54.226 -0.066 17780 7134 1 12 . 1 1 15 15 LYS CB C 104 32.606 32.606 33.650 -1.044 17780 7135 1 12 . 1 1 15 15 LYS H H 104 8.321 8.321 8.564 -0.243 17780 7136 1 12 . 1 1 16 16 PRO HA H 105 4.412 4.412 4.570 -0.158 17780 7137 1 12 . 1 1 16 16 PRO CA C 105 63.012 63.012 62.814 0.198 17780 7138 1 12 . 1 1 16 16 PRO CB C 105 32.152 32.152 32.544 -0.392 17780 7139 1 12 . 1 1 17 17 LYS N N 106 122.072 122.072 119.826 2.246 17780 7140 1 12 . 1 1 17 17 LYS HA H 106 4.338 4.338 4.785 -0.447 17780 7141 1 12 . 1 1 17 17 LYS CA C 106 56.299 56.299 55.517 0.782 17780 7142 1 12 . 1 1 17 17 LYS CB C 106 32.928 32.928 35.331 -2.403 17780 7143 1 12 . 1 1 17 17 LYS H H 106 8.516 8.516 8.825 -0.309 17780 7144 1 12 . 1 1 18 18 THR N N 107 115.252 115.252 113.735 1.517 17780 7145 1 12 . 1 1 18 18 THR HA H 107 4.323 4.323 4.866 -0.543 17780 7146 1 12 . 1 1 18 18 THR CA C 107 61.523 61.523 60.980 0.543 17780 7147 1 12 . 1 1 18 18 THR CB C 107 69.778 69.778 70.734 -0.956 17780 7148 1 12 . 1 1 18 18 THR H H 107 8.133 8.133 8.782 -0.649 17780 7149 1 12 . 1 1 19 19 ASN N N 108 121.344 121.344 119.434 1.910 17780 7150 1 12 . 1 1 19 19 ASN HA H 108 4.712 4.712 5.040 -0.328 17780 7151 1 12 . 1 1 19 19 ASN CA C 108 53.019 53.019 52.120 0.899 17780 7152 1 12 . 1 1 19 19 ASN CB C 108 38.728 38.728 40.374 -1.646 17780 7153 1 12 . 1 1 19 19 ASN H H 108 8.537 8.537 8.713 -0.176 17780 7154 1 12 . 1 1 20 20 MET N N 109 121.309 121.309 119.690 1.619 17780 7155 1 12 . 1 1 20 20 MET HA H 109 4.437 4.437 4.516 -0.079 17780 7156 1 12 . 1 1 20 20 MET CA C 109 55.446 55.446 55.198 0.248 17780 7157 1 12 . 1 1 20 20 MET CB C 109 32.809 32.809 32.669 0.140 17780 7158 1 12 . 1 1 20 20 MET H H 109 8.346 8.346 8.532 -0.186 17780 7159 1 12 . 1 1 21 21 LYS N N 110 122.292 122.292 120.857 1.435 17780 7160 1 12 . 1 1 21 21 LYS HA H 110 4.237 4.237 3.916 0.321 17780 7161 1 12 . 1 1 21 21 LYS CA C 110 56.394 56.394 56.923 -0.529 17780 7162 1 12 . 1 1 21 21 LYS CB C 110 32.923 32.923 31.653 1.270 17780 7163 1 12 . 1 1 21 21 LYS H H 110 8.300 8.300 8.303 -0.003 17780 7164 1 12 . 1 1 22 22 HIS N N 111 120.193 120.193 119.336 0.857 17780 7165 1 12 . 1 1 22 22 HIS HA H 111 4.642 4.642 4.391 0.251 17780 7166 1 12 . 1 1 22 22 HIS CA C 111 55.391 55.391 57.077 -1.686 17780 7167 1 12 . 1 1 22 22 HIS CB C 111 29.501 29.501 30.254 -0.753 17780 7168 1 12 . 1 1 22 22 HIS H H 111 8.406 8.406 8.228 0.178 17780 7169 1 12 . 1 1 23 23 MET N N 112 122.529 122.529 123.971 -1.442 17780 7170 1 12 . 1 1 23 23 MET HA H 112 4.464 4.464 4.673 -0.209 17780 7171 1 12 . 1 1 23 23 MET CA C 112 55.125 55.125 54.092 1.033 17780 7172 1 12 . 1 1 23 23 MET CB C 112 32.930 32.930 35.069 -2.139 17780 7173 1 12 . 1 1 23 23 MET H H 112 8.326 8.326 7.937 0.389 17780 7174 1 12 . 1 1 24 24 ALA N N 113 125.642 125.642 122.034 3.608 17780 7175 1 12 . 1 1 24 24 ALA HA H 113 4.315 4.315 5.191 -0.876 17780 7176 1 12 . 1 1 24 24 ALA CA C 113 52.521 52.521 51.639 0.882 17780 7177 1 12 . 1 1 24 24 ALA CB C 113 19.181 19.181 21.859 -2.678 17780 7178 1 12 . 1 1 24 24 ALA H H 113 8.370 8.370 8.797 -0.427 17780 7179 1 12 . 1 1 25 25 GLY N N 114 108.473 108.473 107.952 0.521 17780 7180 1 12 . 1 1 25 25 GLY CA C 114 45.175 45.175 45.812 -0.637 17780 7181 1 12 . 1 1 25 25 GLY H H 114 8.373 8.373 8.256 0.117 17780 7182 1 12 . 1 1 26 26 ALA N N 115 123.872 123.872 121.388 2.484 17780 7183 1 12 . 1 1 26 26 ALA HA H 115 4.316 4.316 4.703 -0.387 17780 7184 1 12 . 1 1 26 26 ALA CA C 115 52.496 52.496 52.141 0.355 17780 7185 1 12 . 1 1 26 26 ALA CB C 115 19.181 19.181 20.279 -1.097 17780 7186 1 12 . 1 1 26 26 ALA H H 115 8.134 8.134 8.003 0.131 17780 7187 1 12 . 1 1 27 27 ALA N N 116 123.172 123.172 122.575 0.597 17780 7188 1 12 . 1 1 27 27 ALA HA H 116 4.287 4.287 4.465 -0.178 17780 7189 1 12 . 1 1 27 27 ALA CA C 116 52.464 52.464 52.463 0.001 17780 7190 1 12 . 1 1 27 27 ALA CB C 116 19.180 19.180 18.889 0.291 17780 7191 1 12 . 1 1 27 27 ALA H H 116 8.268 8.268 8.749 -0.481 17780 7192 1 12 . 1 1 28 28 ALA N N 117 123.253 123.253 121.782 1.471 17780 7193 1 12 . 1 1 28 28 ALA HA H 117 4.277 4.277 4.681 -0.404 17780 7194 1 12 . 1 1 28 28 ALA CA C 117 52.383 52.383 51.783 0.600 17780 7195 1 12 . 1 1 28 28 ALA CB C 117 19.156 19.156 20.290 -1.134 17780 7196 1 12 . 1 1 28 28 ALA H H 117 8.169 8.169 7.683 0.486 17780 7197 1 12 . 1 1 29 29 ALA N N 118 123.225 123.225 122.478 0.747 17780 7198 1 12 . 1 1 29 29 ALA HA H 118 4.282 4.282 4.699 -0.417 17780 7199 1 12 . 1 1 29 29 ALA CA C 118 52.469 52.469 51.852 0.617 17780 7200 1 12 . 1 1 29 29 ALA CB C 118 19.129 19.129 20.755 -1.626 17780 7201 1 12 . 1 1 29 29 ALA H H 118 8.204 8.204 8.277 -0.073 17780 7202 1 12 . 1 1 30 30 GLY N N 119 107.906 107.906 111.319 -3.413 17780 7203 1 12 . 1 1 30 30 GLY CA C 119 45.089 45.089 45.664 -0.575 17780 7204 1 12 . 1 1 30 30 GLY H H 119 8.271 8.271 8.579 -0.308 17780 7205 1 12 . 1 1 31 31 ALA N N 120 123.540 123.540 125.812 -2.272 17780 7206 1 12 . 1 1 31 31 ALA HA H 120 4.339 4.339 4.354 -0.015 17780 7207 1 12 . 1 1 31 31 ALA CA C 120 52.282 52.282 51.766 0.516 17780 7208 1 12 . 1 1 31 31 ALA CB C 120 19.432 19.432 19.608 -0.176 17780 7209 1 12 . 1 1 31 31 ALA H H 120 8.039 8.039 7.779 0.260 17780 7210 1 12 . 1 1 32 32 VAL N N 121 119.579 119.579 113.839 5.740 17780 7211 1 12 . 1 1 32 32 VAL HA H 121 4.117 4.117 3.759 0.358 17780 7212 1 12 . 1 1 32 32 VAL CA C 121 62.142 62.142 63.377 -1.235 17780 7213 1 12 . 1 1 32 32 VAL CB C 121 32.673 32.673 29.812 2.861 17780 7214 1 12 . 1 1 32 32 VAL H H 121 8.109 8.109 8.744 -0.635 17780 7215 1 12 . 1 1 33 33 VAL N N 122 124.655 124.655 121.273 3.382 17780 7216 1 12 . 1 1 33 33 VAL HA H 122 4.081 4.081 3.957 0.124 17780 7217 1 12 . 1 1 33 33 VAL CA C 122 62.430 62.430 63.912 -1.482 17780 7218 1 12 . 1 1 33 33 VAL CB C 122 32.675 32.675 32.295 0.380 17780 7219 1 12 . 1 1 33 33 VAL H H 122 8.262 8.262 7.269 0.993 17780 7220 1 12 . 1 1 34 34 GLY N N 123 113.165 113.165 111.783 1.382 17780 7221 1 12 . 1 1 34 34 GLY CA C 123 45.264 45.264 44.937 0.327 17780 7222 1 12 . 1 1 34 34 GLY H H 123 8.528 8.528 8.599 -0.071 17780 7223 1 12 . 1 1 35 35 GLY N N 124 108.440 108.440 107.698 0.742 17780 7224 1 12 . 1 1 35 35 GLY CA C 124 45.264 45.264 44.878 0.386 17780 7225 1 12 . 1 1 35 35 GLY H H 124 8.245 8.245 8.133 0.112 17780 7226 1 12 . 1 1 36 36 LEU N N 125 121.679 121.679 121.158 0.521 17780 7227 1 12 . 1 1 36 36 LEU HA H 125 4.340 4.340 4.208 0.132 17780 7228 1 12 . 1 1 36 36 LEU CA C 125 54.808 54.808 55.961 -1.153 17780 7229 1 12 . 1 1 36 36 LEU CB C 125 42.417 42.417 42.038 0.379 17780 7230 1 12 . 1 1 36 36 LEU H H 125 8.233 8.233 7.735 0.498 17780 7231 1 12 . 1 1 37 37 GLY N N 126 109.818 109.818 107.149 2.669 17780 7232 1 12 . 1 1 37 37 GLY CA C 126 46.266 46.266 46.315 -0.049 17780 7233 1 12 . 1 1 37 37 GLY H H 126 8.511 8.511 8.722 -0.211 17780 7234 1 12 . 1 1 38 38 GLY N N 127 109.485 109.485 108.296 1.189 17780 7235 1 12 . 1 1 38 38 GLY CA C 127 45.029 45.029 44.858 0.171 17780 7236 1 12 . 1 1 38 38 GLY H H 127 8.374 8.374 7.882 0.492 17780 7237 1 12 . 1 1 39 39 TYR N N 128 117.683 117.683 119.520 -1.837 17780 7238 1 12 . 1 1 39 39 TYR HA H 128 4.501 4.501 4.502 -0.001 17780 7239 1 12 . 1 1 39 39 TYR CA C 128 58.050 58.050 57.624 0.426 17780 7240 1 12 . 1 1 39 39 TYR CB C 128 40.362 40.362 39.415 0.947 17780 7241 1 12 . 1 1 39 39 TYR H H 128 7.746 7.746 7.827 -0.081 17780 7242 1 12 . 1 1 40 40 MET N N 129 120.902 120.902 116.813 4.089 17780 7243 1 12 . 1 1 40 40 MET HA H 129 4.534 4.534 4.693 -0.159 17780 7244 1 12 . 1 1 40 40 MET CA C 129 53.516 53.516 53.616 -0.100 17780 7245 1 12 . 1 1 40 40 MET CB C 129 34.851 34.851 36.904 -2.053 17780 7246 1 12 . 1 1 40 40 MET H H 129 9.005 9.005 8.705 0.300 17780 7247 1 12 . 1 1 41 41 LEU N N 130 121.514 121.514 116.486 5.028 17780 7248 1 12 . 1 1 41 41 LEU HA H 130 4.464 4.464 5.222 -0.758 17780 7249 1 12 . 1 1 41 41 LEU CA C 130 53.359 53.359 52.963 0.396 17780 7250 1 12 . 1 1 41 41 LEU CB C 130 43.482 43.482 45.817 -2.335 17780 7251 1 12 . 1 1 41 41 LEU H H 130 8.034 8.034 8.095 -0.061 17780 7252 1 12 . 1 1 42 42 GLY N N 131 114.895 114.895 108.297 6.598 17780 7253 1 12 . 1 1 42 42 GLY CA C 131 44.698 44.698 44.784 -0.086 17780 7254 1 12 . 1 1 42 42 GLY H H 131 9.375 9.375 8.484 0.891 17780 7255 1 12 . 1 1 43 43 SER N N 132 113.692 113.692 117.065 -3.373 17780 7256 1 12 . 1 1 43 43 SER HA H 132 4.429 4.429 4.353 0.076 17780 7257 1 12 . 1 1 43 43 SER CA C 132 58.191 58.191 59.115 -0.924 17780 7258 1 12 . 1 1 43 43 SER CB C 132 63.938 63.938 63.415 0.523 17780 7259 1 12 . 1 1 43 43 SER H H 132 8.345 8.345 8.268 0.077 17780 7260 1 12 . 1 1 44 44 ALA N N 133 125.505 125.505 123.645 1.860 17780 7261 1 12 . 1 1 44 44 ALA HA H 133 4.437 4.437 4.568 -0.131 17780 7262 1 12 . 1 1 44 44 ALA CA C 133 52.936 52.936 51.928 1.008 17780 7263 1 12 . 1 1 44 44 ALA CB C 133 18.412 18.412 20.668 -2.256 17780 7264 1 12 . 1 1 44 44 ALA H H 133 8.735 8.735 8.144 0.591 17780 7265 1 12 . 1 1 45 45 MET N N 134 120.707 120.707 122.561 -1.854 17780 7266 1 12 . 1 1 45 45 MET HA H 134 4.756 4.756 4.955 -0.199 17780 7267 1 12 . 1 1 45 45 MET CA C 134 54.242 54.242 54.443 -0.201 17780 7268 1 12 . 1 1 45 45 MET CB C 134 36.727 36.727 35.986 0.741 17780 7269 1 12 . 1 1 45 45 MET H H 134 8.686 8.686 8.745 -0.059 17780 7270 1 12 . 1 1 46 46 SER N N 135 116.235 116.235 115.222 1.013 17780 7271 1 12 . 1 1 46 46 SER HA H 135 4.375 4.375 4.483 -0.108 17780 7272 1 12 . 1 1 46 46 SER CA C 135 58.410 58.410 58.108 0.302 17780 7273 1 12 . 1 1 46 46 SER CB C 135 63.016 63.016 63.942 -0.926 17780 7274 1 12 . 1 1 46 46 SER H H 135 8.397 8.397 8.454 -0.057 17780 7275 1 12 . 1 1 47 47 ARG N N 136 126.632 126.632 124.900 1.732 17780 7276 1 12 . 1 1 47 47 ARG HA H 136 4.406 4.406 4.719 -0.313 17780 7277 1 12 . 1 1 47 47 ARG CA C 136 54.783 54.783 53.616 1.167 17780 7278 1 12 . 1 1 47 47 ARG CB C 136 29.040 29.040 29.807 -0.767 17780 7279 1 12 . 1 1 47 47 ARG H H 136 8.668 8.668 8.673 -0.005 17780 7280 1 12 . 1 1 48 48 PRO HA H 137 4.422 4.422 4.610 -0.188 17780 7281 1 12 . 1 1 48 48 PRO CA C 137 62.327 62.327 62.670 -0.343 17780 7282 1 12 . 1 1 48 48 PRO CB C 137 32.269 32.269 32.749 -0.480 17780 7283 1 12 . 1 1 49 49 ILE N N 138 122.521 122.521 120.608 1.913 17780 7284 1 12 . 1 1 49 49 ILE HA H 138 4.148 4.148 4.147 0.001 17780 7285 1 12 . 1 1 49 49 ILE CA C 138 60.916 60.916 60.763 0.153 17780 7286 1 12 . 1 1 49 49 ILE CB C 138 36.234 36.234 38.877 -2.643 17780 7287 1 12 . 1 1 49 49 ILE H H 138 8.603 8.603 8.131 0.472 17780 7288 1 12 . 1 1 50 50 ILE N N 139 126.683 126.683 125.554 1.129 17780 7289 1 12 . 1 1 50 50 ILE HA H 139 3.927 3.927 3.829 0.098 17780 7290 1 12 . 1 1 50 50 ILE CA C 139 58.700 58.700 58.566 0.134 17780 7291 1 12 . 1 1 50 50 ILE CB C 139 39.345 39.345 41.195 -1.850 17780 7292 1 12 . 1 1 50 50 ILE H H 139 6.514 6.514 8.031 -1.517 17780 7293 1 12 . 1 1 51 51 HIS N N 140 121.997 121.997 121.549 0.448 17780 7294 1 12 . 1 1 51 51 HIS HA H 140 4.918 4.918 4.423 0.495 17780 7295 1 12 . 1 1 51 51 HIS CA C 140 54.065 54.065 55.425 -1.360 17780 7296 1 12 . 1 1 51 51 HIS CB C 140 29.466 29.466 28.310 1.156 17780 7297 1 12 . 1 1 51 51 HIS H H 140 8.203 8.203 7.506 0.697 17780 7298 1 12 . 1 1 52 52 PHE N N 141 124.334 124.334 124.245 0.089 17780 7299 1 12 . 1 1 52 52 PHE HA H 141 4.348 4.348 4.579 -0.231 17780 7300 1 12 . 1 1 52 52 PHE CA C 141 59.251 59.251 58.429 0.822 17780 7301 1 12 . 1 1 52 52 PHE CB C 141 41.448 41.448 39.913 1.534 17780 7302 1 12 . 1 1 52 52 PHE H H 141 10.160 10.160 8.186 1.974 17780 7303 1 12 . 1 1 53 53 GLY N N 142 108.368 108.368 107.203 1.165 17780 7304 1 12 . 1 1 53 53 GLY CA C 142 45.516 45.516 45.134 0.382 17780 7305 1 12 . 1 1 53 53 GLY H H 142 8.984 8.984 7.894 1.090 17780 7306 1 12 . 1 1 54 54 SER N N 143 111.819 111.819 115.390 -3.571 17780 7307 1 12 . 1 1 54 54 SER HA H 143 4.810 4.810 4.628 0.182 17780 7308 1 12 . 1 1 54 54 SER CA C 143 56.498 56.498 56.544 -0.046 17780 7309 1 12 . 1 1 54 54 SER CB C 143 65.964 65.964 65.191 0.773 17780 7310 1 12 . 1 1 54 54 SER H H 143 7.334 7.334 7.736 -0.402 17780 7311 1 12 . 1 1 55 55 ASP N N 144 124.249 124.249 122.521 1.728 17780 7312 1 12 . 1 1 55 55 ASP HA H 144 4.500 4.500 4.479 0.021 17780 7313 1 12 . 1 1 55 55 ASP CA C 144 57.493 57.493 57.144 0.349 17780 7314 1 12 . 1 1 55 55 ASP CB C 144 40.664 40.664 40.632 0.032 17780 7315 1 12 . 1 1 55 55 ASP H H 144 9.014 9.014 8.793 0.221 17780 7316 1 12 . 1 1 56 56 TYR N N 145 118.991 118.991 115.411 3.580 17780 7317 1 12 . 1 1 56 56 TYR HA H 145 4.196 4.196 4.405 -0.209 17780 7318 1 12 . 1 1 56 56 TYR CA C 145 61.351 61.351 59.404 1.947 17780 7319 1 12 . 1 1 56 56 TYR CB C 145 38.075 38.075 36.998 1.077 17780 7320 1 12 . 1 1 56 56 TYR H H 145 8.551 8.551 7.647 0.904 17780 7321 1 12 . 1 1 57 57 GLU N N 146 119.217 119.217 120.243 -1.026 17780 7322 1 12 . 1 1 57 57 GLU HA H 146 3.563 3.563 4.416 -0.853 17780 7323 1 12 . 1 1 57 57 GLU CA C 146 59.921 59.921 58.864 1.057 17780 7324 1 12 . 1 1 57 57 GLU CB C 146 30.297 30.297 29.437 0.860 17780 7325 1 12 . 1 1 57 57 GLU H H 146 7.741 7.741 7.626 0.115 17780 7326 1 12 . 1 1 58 58 ASP N N 147 119.565 119.565 120.837 -1.272 17780 7327 1 12 . 1 1 58 58 ASP HA H 147 4.498 4.498 4.618 -0.120 17780 7328 1 12 . 1 1 58 58 ASP CA C 147 58.185 58.185 57.528 0.657 17780 7329 1 12 . 1 1 58 58 ASP CB C 147 40.598 40.598 41.093 -0.495 17780 7330 1 12 . 1 1 58 58 ASP H H 147 8.139 8.139 8.375 -0.236 17780 7331 1 12 . 1 1 59 59 ARG N N 148 120.296 120.296 118.344 1.952 17780 7332 1 12 . 1 1 59 59 ARG HA H 148 4.004 4.004 4.128 -0.124 17780 7333 1 12 . 1 1 59 59 ARG CA C 148 59.393 59.393 58.627 0.766 17780 7334 1 12 . 1 1 59 59 ARG CB C 148 29.910 29.910 29.877 0.033 17780 7335 1 12 . 1 1 59 59 ARG H H 148 8.181 8.181 7.793 0.388 17780 7336 1 12 . 1 1 60 60 TYR N N 149 121.152 121.152 121.706 -0.554 17780 7337 1 12 . 1 1 60 60 TYR HA H 149 3.819 3.819 4.198 -0.379 17780 7338 1 12 . 1 1 60 60 TYR CA C 149 62.195 62.195 60.185 2.010 17780 7339 1 12 . 1 1 60 60 TYR CB C 149 37.808 37.808 38.284 -0.476 17780 7340 1 12 . 1 1 60 60 TYR H H 149 8.333 8.333 7.591 0.742 17780 7341 1 12 . 1 1 61 61 TYR N N 150 120.365 120.365 120.869 -0.504 17780 7342 1 12 . 1 1 61 61 TYR HA H 150 4.122 4.122 3.433 0.689 17780 7343 1 12 . 1 1 61 61 TYR CA C 150 62.969 62.969 60.606 2.363 17780 7344 1 12 . 1 1 61 61 TYR CB C 150 38.207 38.207 37.925 0.282 17780 7345 1 12 . 1 1 61 61 TYR H H 150 8.942 8.942 8.159 0.783 17780 7346 1 12 . 1 1 62 62 ARG N N 151 117.982 117.982 115.866 2.116 17780 7347 1 12 . 1 1 62 62 ARG HA H 151 3.938 3.938 3.474 0.464 17780 7348 1 12 . 1 1 62 62 ARG CA C 151 59.940 59.940 58.314 1.626 17780 7349 1 12 . 1 1 62 62 ARG CB C 151 29.731 29.731 29.435 0.296 17780 7350 1 12 . 1 1 62 62 ARG H H 151 7.938 7.938 7.516 0.422 17780 7351 1 12 . 1 1 63 63 GLU N N 152 116.389 116.389 118.420 -2.031 17780 7352 1 12 . 1 1 63 63 GLU HA H 152 4.059 4.059 4.000 0.059 17780 7353 1 12 . 1 1 63 63 GLU CA C 152 57.990 57.990 58.803 -0.813 17780 7354 1 12 . 1 1 63 63 GLU CB C 152 29.915 29.915 29.485 0.430 17780 7355 1 12 . 1 1 63 63 GLU H H 152 8.068 8.068 7.720 0.348 17780 7356 1 12 . 1 1 64 64 ASN N N 153 114.690 114.690 115.037 -0.347 17780 7357 1 12 . 1 1 64 64 ASN HA H 153 4.406 4.406 4.450 -0.044 17780 7358 1 12 . 1 1 64 64 ASN CA C 153 54.814 54.814 53.279 1.535 17780 7359 1 12 . 1 1 64 64 ASN CB C 153 41.178 41.178 37.986 3.192 17780 7360 1 12 . 1 1 64 64 ASN H H 153 7.525 7.525 7.469 0.056 17780 7361 1 12 . 1 1 65 65 MET N N 154 119.058 119.058 121.482 -2.424 17780 7362 1 12 . 1 1 65 65 MET HA H 154 3.417 3.417 3.714 -0.297 17780 7363 1 12 . 1 1 65 65 MET CA C 154 59.193 59.193 58.922 0.271 17780 7364 1 12 . 1 1 65 65 MET CB C 154 30.258 30.258 31.980 -1.722 17780 7365 1 12 . 1 1 65 65 MET H H 154 7.993 7.993 7.223 0.770 17780 7366 1 12 . 1 1 66 66 HIS N N 155 116.083 116.083 115.808 0.275 17780 7367 1 12 . 1 1 66 66 HIS HA H 155 4.208 4.208 4.368 -0.160 17780 7368 1 12 . 1 1 66 66 HIS CA C 155 57.382 57.382 57.961 -0.579 17780 7369 1 12 . 1 1 66 66 HIS CB C 155 28.955 28.955 29.590 -0.635 17780 7370 1 12 . 1 1 66 66 HIS H H 155 7.988 7.988 8.093 -0.105 17780 7371 1 12 . 1 1 67 67 ARG N N 156 118.993 118.993 117.698 1.295 17780 7372 1 12 . 1 1 67 67 ARG HA H 156 4.133 4.133 4.367 -0.234 17780 7373 1 12 . 1 1 67 67 ARG CA C 156 56.135 56.135 56.740 -0.605 17780 7374 1 12 . 1 1 67 67 ARG CB C 156 30.521 30.521 30.487 0.034 17780 7375 1 12 . 1 1 67 67 ARG H H 156 7.488 7.488 7.328 0.160 17780 7376 1 12 . 1 1 68 68 TYR N N 157 121.321 121.321 119.137 2.184 17780 7377 1 12 . 1 1 68 68 TYR HA H 157 4.991 4.991 4.800 0.191 17780 7378 1 12 . 1 1 68 68 TYR CA C 157 52.644 52.644 53.898 -1.254 17780 7379 1 12 . 1 1 68 68 TYR CB C 157 34.873 34.873 38.074 -3.201 17780 7380 1 12 . 1 1 68 68 TYR H H 157 7.433 7.433 7.347 0.086 17780 7381 1 12 . 1 1 69 69 PRO HA H 158 4.338 4.338 4.347 -0.009 17780 7382 1 12 . 1 1 69 69 PRO CA C 158 63.651 63.651 62.419 1.232 17780 7383 1 12 . 1 1 69 69 PRO CB C 158 32.005 32.005 32.966 -0.961 17780 7384 1 12 . 1 1 70 70 ASN N N 159 116.696 116.696 116.297 0.399 17780 7385 1 12 . 1 1 70 70 ASN HA H 159 4.690 4.690 4.591 0.099 17780 7386 1 12 . 1 1 70 70 ASN CA C 159 51.997 51.997 53.684 -1.687 17780 7387 1 12 . 1 1 70 70 ASN CB C 159 38.375 38.375 39.103 -0.728 17780 7388 1 12 . 1 1 70 70 ASN H H 159 8.673 8.673 8.496 0.177 17780 7389 1 12 . 1 1 71 71 GLN N N 160 114.313 114.313 117.736 -3.423 17780 7390 1 12 . 1 1 71 71 GLN HA H 160 4.523 4.523 4.718 -0.195 17780 7391 1 12 . 1 1 71 71 GLN CA C 160 54.286 54.286 54.430 -0.144 17780 7392 1 12 . 1 1 71 71 GLN CB C 160 32.975 32.975 33.029 -0.054 17780 7393 1 12 . 1 1 71 71 GLN H H 160 7.319 7.319 7.682 -0.363 17780 7394 1 12 . 1 1 72 72 VAL N N 161 112.569 112.569 115.615 -3.046 17780 7395 1 12 . 1 1 72 72 VAL HA H 161 4.927 4.927 4.479 0.448 17780 7396 1 12 . 1 1 72 72 VAL CA C 161 58.651 58.651 61.149 -2.498 17780 7397 1 12 . 1 1 72 72 VAL CB C 161 33.812 33.812 33.898 -0.086 17780 7398 1 12 . 1 1 72 72 VAL H H 161 8.477 8.477 8.237 0.240 17780 7399 1 12 . 1 1 73 73 TYR N N 162 121.525 121.525 125.787 -4.262 17780 7400 1 12 . 1 1 73 73 TYR HA H 162 5.507 5.507 5.358 0.149 17780 7401 1 12 . 1 1 73 73 TYR CA C 162 57.133 57.133 56.262 0.871 17780 7402 1 12 . 1 1 73 73 TYR CB C 162 41.970 41.970 40.913 1.057 17780 7403 1 12 . 1 1 73 73 TYR H H 162 8.490 8.490 8.615 -0.125 17780 7404 1 12 . 1 1 74 74 TYR N N 163 111.081 111.081 119.869 -8.788 17780 7405 1 12 . 1 1 74 74 TYR HA H 163 4.758 4.758 5.192 -0.434 17780 7406 1 12 . 1 1 74 74 TYR CA C 163 55.367 55.367 56.604 -1.237 17780 7407 1 12 . 1 1 74 74 TYR CB C 163 40.401 40.401 40.123 0.278 17780 7408 1 12 . 1 1 74 74 TYR H H 163 8.593 8.593 8.662 -0.069 17780 7409 1 12 . 1 1 76 76 PRO HA H 165 4.490 4.490 4.471 0.019 17780 7410 1 12 . 1 1 76 76 PRO CA C 165 62.967 62.967 63.232 -0.265 17780 7411 1 12 . 1 1 76 76 PRO CB C 165 32.372 32.372 32.194 0.178 17780 7412 1 12 . 1 1 77 77 MET N N 166 121.408 121.408 117.774 3.634 17780 7413 1 12 . 1 1 77 77 MET HA H 166 4.438 4.438 4.117 0.321 17780 7414 1 12 . 1 1 77 77 MET CA C 166 57.081 57.081 55.064 2.017 17780 7415 1 12 . 1 1 77 77 MET CB C 166 32.165 32.165 30.524 1.641 17780 7416 1 12 . 1 1 77 77 MET H H 166 9.013 9.013 8.646 0.367 17780 7417 1 12 . 1 1 78 78 ASP N N 167 119.933 119.933 119.647 0.286 17780 7418 1 12 . 1 1 78 78 ASP HA H 167 4.754 4.754 4.582 0.172 17780 7419 1 12 . 1 1 78 78 ASP CA C 167 52.485 52.485 55.776 -3.291 17780 7420 1 12 . 1 1 78 78 ASP CB C 167 38.802 38.802 41.660 -2.858 17780 7421 1 12 . 1 1 78 78 ASP H H 167 8.176 8.176 8.665 -0.489 17780 7422 1 12 . 1 1 79 79 GLU N N 168 116.934 116.934 115.289 1.645 17780 7423 1 12 . 1 1 79 79 GLU HA H 168 4.308 4.308 4.252 0.056 17780 7424 1 12 . 1 1 79 79 GLU CA C 168 58.638 58.638 56.491 2.147 17780 7425 1 12 . 1 1 79 79 GLU CB C 168 29.185 29.185 31.561 -2.376 17780 7426 1 12 . 1 1 79 79 GLU H H 168 8.332 8.332 8.086 0.246 17780 7427 1 12 . 1 1 81 81 SER N N 170 116.603 116.603 115.211 1.392 17780 7428 1 12 . 1 1 81 81 SER HA H 170 4.374 4.374 4.460 -0.086 17780 7429 1 12 . 1 1 81 81 SER CA C 170 58.475 58.475 56.878 1.597 17780 7430 1 12 . 1 1 81 81 SER CB C 170 63.677 63.677 65.966 -2.289 17780 7431 1 12 . 1 1 81 81 SER H H 170 8.560 8.560 7.353 1.207 17780 7432 1 12 . 1 1 83 83 GLN N N 172 120.404 120.404 115.564 4.840 17780 7433 1 12 . 1 1 83 83 GLN HA H 172 4.750 4.750 4.471 0.279 17780 7434 1 12 . 1 1 83 83 GLN CA C 172 59.899 59.899 55.098 4.801 17780 7435 1 12 . 1 1 83 83 GLN CB C 172 29.023 29.023 30.934 -1.911 17780 7436 1 12 . 1 1 83 83 GLN H H 172 8.635 8.635 7.882 0.753 17780 7437 1 12 . 1 1 84 84 ASN N N 173 116.470 116.470 119.318 -2.848 17780 7438 1 12 . 1 1 84 84 ASN HA H 173 4.237 4.237 4.209 0.028 17780 7439 1 12 . 1 1 84 84 ASN CA C 173 56.470 56.470 55.868 0.602 17780 7440 1 12 . 1 1 84 84 ASN CB C 173 37.812 37.812 38.460 -0.648 17780 7441 1 12 . 1 1 84 84 ASN H H 173 8.352 8.352 8.915 -0.563 17780 7442 1 12 . 1 1 85 85 ASN N N 174 118.500 118.500 119.195 -0.695 17780 7443 1 12 . 1 1 85 85 ASN HA H 174 4.534 4.534 4.593 -0.059 17780 7444 1 12 . 1 1 85 85 ASN CA C 174 55.905 55.905 55.329 0.576 17780 7445 1 12 . 1 1 85 85 ASN CB C 174 37.760 37.760 38.149 -0.389 17780 7446 1 12 . 1 1 85 85 ASN H H 174 8.602 8.602 8.394 0.208 17780 7447 1 12 . 1 1 86 86 PHE CB C 175 39.641 39.641 38.321 1.320 17780 7448 1 12 . 1 1 87 87 VAL N N 176 120.134 120.134 120.357 -0.223 17780 7449 1 12 . 1 1 87 87 VAL HA H 176 3.564 3.564 2.675 0.889 17780 7450 1 12 . 1 1 87 87 VAL CA C 176 67.737 67.737 65.209 2.528 17780 7451 1 12 . 1 1 87 87 VAL CB C 176 31.951 31.951 29.928 2.023 17780 7452 1 12 . 1 1 87 87 VAL H H 176 9.002 9.002 7.266 1.736 17780 7453 1 12 . 1 1 88 88 HIS N N 177 117.217 117.217 118.672 -1.455 17780 7454 1 12 . 1 1 88 88 HIS HA H 177 4.304 4.304 4.165 0.139 17780 7455 1 12 . 1 1 88 88 HIS CA C 177 59.781 59.781 60.341 -0.560 17780 7456 1 12 . 1 1 88 88 HIS CB C 177 28.264 28.264 29.580 -1.316 17780 7457 1 12 . 1 1 88 88 HIS H H 177 8.330 8.330 7.917 0.413 17780 7458 1 12 . 1 1 89 89 ASP N N 178 118.497 118.497 119.227 -0.730 17780 7459 1 12 . 1 1 89 89 ASP HA H 178 4.500 4.500 4.598 -0.098 17780 7460 1 12 . 1 1 89 89 ASP CA C 178 57.423 57.423 56.453 0.970 17780 7461 1 12 . 1 1 89 89 ASP CB C 178 41.792 41.792 41.071 0.721 17780 7462 1 12 . 1 1 89 89 ASP H H 178 7.696 7.696 7.913 -0.217 17780 7463 1 12 . 1 1 90 90 CYS N N 179 119.012 119.012 120.020 -1.008 17780 7464 1 12 . 1 1 90 90 CYS HA H 179 4.753 4.753 4.290 0.463 17780 7465 1 12 . 1 1 90 90 CYS CA C 179 58.466 58.466 62.140 -3.674 17780 7466 1 12 . 1 1 90 90 CYS CB C 179 40.758 40.758 25.814 14.944 17780 7467 1 12 . 1 1 90 90 CYS H H 179 8.037 8.037 7.346 0.691 17780 7468 1 12 . 1 1 91 91 VAL N N 180 125.063 125.063 119.176 5.887 17780 7469 1 12 . 1 1 91 91 VAL HA H 180 3.667 3.667 3.672 -0.005 17780 7470 1 12 . 1 1 91 91 VAL CA C 180 66.293 66.293 66.507 -0.214 17780 7471 1 12 . 1 1 91 91 VAL CB C 180 32.028 32.028 31.058 0.970 17780 7472 1 12 . 1 1 91 91 VAL H H 180 9.212 9.212 8.442 0.770 17780 7473 1 12 . 1 1 92 92 ASN N N 181 116.153 116.153 119.306 -3.153 17780 7474 1 12 . 1 1 92 92 ASN HA H 181 4.311 4.311 4.416 -0.105 17780 7475 1 12 . 1 1 92 92 ASN CA C 181 56.622 56.622 56.398 0.224 17780 7476 1 12 . 1 1 92 92 ASN CB C 181 38.749 38.749 38.338 0.411 17780 7477 1 12 . 1 1 92 92 ASN H H 181 7.626 7.626 7.523 0.103 17780 7478 1 12 . 1 1 93 93 ILE N N 182 118.637 118.637 119.771 -1.134 17780 7479 1 12 . 1 1 93 93 ILE HA H 182 3.787 3.787 3.746 0.041 17780 7480 1 12 . 1 1 93 93 ILE CA C 182 62.078 62.078 63.983 -1.905 17780 7481 1 12 . 1 1 93 93 ILE CB C 182 36.535 36.535 36.548 -0.013 17780 7482 1 12 . 1 1 93 93 ILE H H 182 8.610 8.610 8.559 0.051 17780 7483 1 12 . 1 1 94 94 THR N N 183 118.229 118.229 117.761 0.468 17780 7484 1 12 . 1 1 94 94 THR HA H 183 4.097 4.097 4.038 0.059 17780 7485 1 12 . 1 1 94 94 THR CA C 183 68.834 68.834 67.338 1.496 17780 7486 1 12 . 1 1 94 94 THR CB C 183 68.258 68.258 68.808 -0.550 17780 7487 1 12 . 1 1 94 94 THR H H 183 8.140 8.140 8.134 0.006 17780 7488 1 12 . 1 1 95 95 ILE N N 184 120.906 120.906 121.362 -0.456 17780 7489 1 12 . 1 1 95 95 ILE HA H 184 3.666 3.666 3.912 -0.246 17780 7490 1 12 . 1 1 95 95 ILE CA C 184 66.259 66.259 63.572 2.687 17780 7491 1 12 . 1 1 95 95 ILE CB C 184 36.824 36.824 37.965 -1.141 17780 7492 1 12 . 1 1 95 95 ILE H H 184 8.450 8.450 8.235 0.215 17780 7493 1 12 . 1 1 96 96 LYS N N 185 123.208 123.208 121.390 1.818 17780 7494 1 12 . 1 1 96 96 LYS HA H 185 4.067 4.067 3.864 0.203 17780 7495 1 12 . 1 1 96 96 LYS CA C 185 59.987 59.987 60.232 -0.245 17780 7496 1 12 . 1 1 96 96 LYS CB C 185 32.119 32.119 32.173 -0.054 17780 7497 1 12 . 1 1 96 96 LYS H H 185 8.067 8.067 8.393 -0.326 17780 7498 1 12 . 1 1 97 97 GLN N N 186 116.879 116.879 118.168 -1.289 17780 7499 1 12 . 1 1 97 97 GLN HA H 186 4.059 4.059 3.994 0.065 17780 7500 1 12 . 1 1 97 97 GLN CA C 186 58.010 58.010 58.828 -0.818 17780 7501 1 12 . 1 1 97 97 GLN CB C 186 27.982 27.982 28.222 -0.240 17780 7502 1 12 . 1 1 97 97 GLN H H 186 8.493 8.493 8.345 0.148 17780 7503 1 12 . 1 1 98 98 HIS N N 187 119.676 119.676 121.328 -1.652 17780 7504 1 12 . 1 1 98 98 HIS HA H 187 4.579 4.579 4.397 0.182 17780 7505 1 12 . 1 1 98 98 HIS CA C 187 59.465 59.465 59.575 -0.110 17780 7506 1 12 . 1 1 98 98 HIS CB C 187 31.628 31.628 29.685 1.943 17780 7507 1 12 . 1 1 98 98 HIS H H 187 8.435 8.435 7.709 0.726 17780 7508 1 12 . 1 1 99 99 THR N N 188 114.500 114.500 115.784 -1.284 17780 7509 1 12 . 1 1 99 99 THR HA H 188 4.090 4.090 3.765 0.325 17780 7510 1 12 . 1 1 99 99 THR CA C 188 66.210 66.210 65.794 0.416 17780 7511 1 12 . 1 1 99 99 THR CB C 188 68.800 68.800 68.458 0.342 17780 7512 1 12 . 1 1 99 99 THR H H 188 8.440 8.440 8.381 0.059 17780 7513 1 12 . 1 1 100 100 VAL N N 189 122.934 122.934 121.235 1.699 17780 7514 1 12 . 1 1 100 100 VAL HA H 189 3.838 3.838 3.799 0.039 17780 7515 1 12 . 1 1 100 100 VAL CA C 189 65.832 65.832 65.410 0.422 17780 7516 1 12 . 1 1 100 100 VAL CB C 189 31.897 31.897 31.909 -0.012 17780 7517 1 12 . 1 1 100 100 VAL H H 189 8.057 8.057 7.979 0.078 17780 7518 1 12 . 1 1 101 101 THR N N 190 115.101 115.101 112.998 2.103 17780 7519 1 12 . 1 1 101 101 THR HA H 190 4.140 4.140 4.098 0.042 17780 7520 1 12 . 1 1 101 101 THR CA C 190 64.907 64.907 66.586 -1.679 17780 7521 1 12 . 1 1 101 101 THR CB C 190 69.041 69.041 68.009 1.032 17780 7522 1 12 . 1 1 101 101 THR H H 190 8.131 8.131 7.732 0.399 17780 7523 1 12 . 1 1 102 102 THR N N 191 114.546 114.546 119.652 -5.106 17780 7524 1 12 . 1 1 102 102 THR HA H 191 4.092 4.092 3.842 0.250 17780 7525 1 12 . 1 1 102 102 THR CA C 191 64.801 64.801 67.773 -2.972 17780 7526 1 12 . 1 1 102 102 THR CB C 191 69.145 69.145 68.057 1.088 17780 7527 1 12 . 1 1 102 102 THR H H 191 8.011 8.011 7.969 0.042 17780 7528 1 12 . 1 1 103 103 THR N N 192 117.876 117.876 114.545 3.331 17780 7529 1 12 . 1 1 103 103 THR HA H 192 4.373 4.373 4.634 -0.261 17780 7530 1 12 . 1 1 103 103 THR CA C 192 64.935 64.935 64.889 0.045 17780 7531 1 12 . 1 1 103 103 THR CB C 192 69.043 69.043 68.455 0.588 17780 7532 1 12 . 1 1 103 103 THR H H 192 8.224 8.224 7.590 0.634 17780 7533 1 12 . 1 1 104 104 THR N N 193 116.232 116.232 117.730 -1.498 17780 7534 1 12 . 1 1 104 104 THR HA H 193 4.204 4.204 4.064 0.140 17780 7535 1 12 . 1 1 104 104 THR CA C 193 64.311 64.311 65.491 -1.180 17780 7536 1 12 . 1 1 104 104 THR CB C 193 68.981 68.981 68.763 0.219 17780 7537 1 12 . 1 1 104 104 THR H H 193 7.805 7.805 7.673 0.132 17780 7538 1 12 . 1 1 105 105 LYS N N 194 119.843 119.843 118.797 1.046 17780 7539 1 12 . 1 1 105 105 LYS HA H 194 4.384 4.384 4.357 0.027 17780 7540 1 12 . 1 1 105 105 LYS CA C 194 56.220 56.220 55.466 0.754 17780 7541 1 12 . 1 1 105 105 LYS CB C 194 32.527 32.527 32.353 0.174 17780 7542 1 12 . 1 1 105 105 LYS H H 194 7.504 7.504 7.771 -0.267 17780 7543 1 12 . 1 1 106 106 GLY N N 195 107.946 107.946 107.749 0.197 17780 7544 1 12 . 1 1 106 106 GLY CA C 195 45.431 45.431 45.129 0.302 17780 7545 1 12 . 1 1 106 106 GLY H H 195 7.924 7.924 7.581 0.343 17780 7546 1 12 . 1 1 107 107 GLU N N 196 120.063 120.063 119.844 0.219 17780 7547 1 12 . 1 1 107 107 GLU HA H 196 4.255 4.255 4.702 -0.447 17780 7548 1 12 . 1 1 107 107 GLU CA C 196 55.597 55.597 54.554 1.043 17780 7549 1 12 . 1 1 107 107 GLU CB C 196 31.073 31.073 33.008 -1.935 17780 7550 1 12 . 1 1 107 107 GLU H H 196 7.465 7.465 8.301 -0.836 17780 7551 1 12 . 1 1 108 108 ASN N N 197 119.350 119.350 118.839 0.511 17780 7552 1 12 . 1 1 108 108 ASN HA H 197 4.657 4.657 5.037 -0.381 17780 7553 1 12 . 1 1 108 108 ASN CA C 197 52.673 52.673 53.121 -0.448 17780 7554 1 12 . 1 1 108 108 ASN CB C 197 40.827 40.827 39.880 0.947 17780 7555 1 12 . 1 1 108 108 ASN H H 197 8.458 8.458 8.667 -0.209 17780 7556 1 12 . 1 1 109 109 PHE N N 198 121.688 121.688 121.490 0.198 17780 7557 1 12 . 1 1 109 109 PHE HA H 198 5.317 5.317 4.767 0.550 17780 7558 1 12 . 1 1 109 109 PHE CA C 198 56.571 56.571 56.386 0.185 17780 7559 1 12 . 1 1 109 109 PHE CB C 198 40.093 40.093 42.443 -2.350 17780 7560 1 12 . 1 1 109 109 PHE H H 198 8.709 8.709 8.678 0.031 17780 7561 1 12 . 1 1 110 110 THR N N 199 115.904 115.904 115.368 0.536 17780 7562 1 12 . 1 1 110 110 THR HA H 199 4.624 4.624 4.600 0.024 17780 7563 1 12 . 1 1 110 110 THR CA C 199 60.343 60.343 61.025 -0.682 17780 7564 1 12 . 1 1 110 110 THR CB C 199 72.033 72.033 70.521 1.512 17780 7565 1 12 . 1 1 110 110 THR H H 199 9.547 9.547 8.995 0.552 17780 7566 1 12 . 1 1 111 111 GLU N N 200 119.988 119.988 121.197 -1.209 17780 7567 1 12 . 1 1 111 111 GLU HA H 200 4.067 4.067 4.005 0.062 17780 7568 1 12 . 1 1 111 111 GLU CA C 200 60.027 60.027 59.870 0.157 17780 7569 1 12 . 1 1 111 111 GLU CB C 200 28.976 28.976 28.768 0.208 17780 7570 1 12 . 1 1 111 111 GLU H H 200 9.132 9.132 8.926 0.206 17780 7571 1 12 . 1 1 112 112 THR N N 201 116.221 116.221 116.374 -0.153 17780 7572 1 12 . 1 1 112 112 THR HA H 201 3.796 3.796 4.077 -0.281 17780 7573 1 12 . 1 1 112 112 THR CA C 201 66.781 66.781 66.575 0.206 17780 7574 1 12 . 1 1 112 112 THR CB C 201 68.581 68.581 68.492 0.089 17780 7575 1 12 . 1 1 112 112 THR H H 201 7.934 7.934 8.119 -0.185 17780 7576 1 12 . 1 1 113 113 ASP N N 202 120.001 120.001 122.834 -2.833 17780 7577 1 12 . 1 1 113 113 ASP HA H 202 4.598 4.598 4.542 0.056 17780 7578 1 12 . 1 1 113 113 ASP CA C 202 57.984 57.984 58.128 -0.144 17780 7579 1 12 . 1 1 113 113 ASP CB C 202 41.756 41.756 41.029 0.727 17780 7580 1 12 . 1 1 113 113 ASP H H 202 7.503 7.503 8.142 -0.639 17780 7581 1 12 . 1 1 114 114 VAL N N 203 119.529 119.529 119.441 0.088 17780 7582 1 12 . 1 1 114 114 VAL HA H 203 3.279 3.279 3.653 -0.374 17780 7583 1 12 . 1 1 114 114 VAL CA C 203 67.817 67.817 66.007 1.810 17780 7584 1 12 . 1 1 114 114 VAL CB C 203 31.528 31.528 31.211 0.317 17780 7585 1 12 . 1 1 114 114 VAL H H 203 8.209 8.209 7.750 0.459 17780 7586 1 12 . 1 1 115 115 LYS N N 204 119.051 119.051 120.756 -1.705 17780 7587 1 12 . 1 1 115 115 LYS HA H 204 4.082 4.082 4.240 -0.158 17780 7588 1 12 . 1 1 115 115 LYS CA C 204 59.268 59.268 59.538 -0.270 17780 7589 1 12 . 1 1 115 115 LYS CB C 204 31.979 31.979 32.713 -0.734 17780 7590 1 12 . 1 1 115 115 LYS H H 204 7.714 7.714 8.242 -0.528 17780 7591 1 12 . 1 1 116 116 MET N N 205 118.581 118.581 116.242 2.339 17780 7592 1 12 . 1 1 116 116 MET HA H 205 4.167 4.167 4.410 -0.243 17780 7593 1 12 . 1 1 116 116 MET CA C 205 59.984 59.984 58.661 1.323 17780 7594 1 12 . 1 1 116 116 MET CB C 205 32.933 32.933 33.024 -0.091 17780 7595 1 12 . 1 1 116 116 MET H H 205 8.182 8.182 8.314 -0.132 17780 7596 1 12 . 1 1 117 117 MET N N 206 118.259 118.259 117.615 0.644 17780 7597 1 12 . 1 1 117 117 MET HA H 206 3.561 3.561 4.095 -0.534 17780 7598 1 12 . 1 1 117 117 MET CA C 206 59.967 59.967 58.371 1.596 17780 7599 1 12 . 1 1 117 117 MET CB C 206 33.824 33.824 31.903 1.921 17780 7600 1 12 . 1 1 117 117 MET H H 206 8.691 8.691 7.782 0.909 17780 7601 1 12 . 1 1 118 118 GLU N N 207 118.878 118.878 119.996 -1.118 17780 7602 1 12 . 1 1 118 118 GLU HA H 207 3.658 3.658 3.913 -0.255 17780 7603 1 12 . 1 1 118 118 GLU CA C 207 60.702 60.702 59.241 1.461 17780 7604 1 12 . 1 1 118 118 GLU CB C 207 29.000 29.000 29.292 -0.292 17780 7605 1 12 . 1 1 118 118 GLU H H 207 8.544 8.544 8.144 0.400 17780 7606 1 12 . 1 1 119 119 ARG N N 208 116.694 116.694 117.640 -0.946 17780 7607 1 12 . 1 1 119 119 ARG HA H 208 4.228 4.228 3.991 0.237 17780 7608 1 12 . 1 1 119 119 ARG CA C 208 58.554 58.554 59.148 -0.594 17780 7609 1 12 . 1 1 119 119 ARG CB C 208 30.136 30.136 29.972 0.164 17780 7610 1 12 . 1 1 119 119 ARG H H 208 7.289 7.289 7.602 -0.313 17780 7611 1 12 . 1 1 120 120 VAL N N 209 119.035 119.035 116.081 2.954 17780 7612 1 12 . 1 1 120 120 VAL HA H 209 3.837 3.837 4.003 -0.166 17780 7613 1 12 . 1 1 120 120 VAL CA C 209 65.766 65.766 65.592 0.174 17780 7614 1 12 . 1 1 120 120 VAL CB C 209 32.213 32.213 31.868 0.345 17780 7615 1 12 . 1 1 120 120 VAL H H 209 8.279 8.279 7.397 0.882 17780 7616 1 12 . 1 1 121 121 VAL N N 210 121.668 121.668 116.945 4.723 17780 7617 1 12 . 1 1 121 121 VAL HA H 210 3.597 3.597 3.765 -0.168 17780 7618 1 12 . 1 1 121 121 VAL CA C 210 66.639 66.639 65.569 1.070 17780 7619 1 12 . 1 1 121 121 VAL CB C 210 31.097 31.097 30.449 0.648 17780 7620 1 12 . 1 1 121 121 VAL H H 210 9.183 9.183 7.709 1.474 17780 7621 1 12 . 1 1 122 122 GLU N N 211 120.770 120.770 120.791 -0.021 17780 7622 1 12 . 1 1 122 122 GLU HA H 211 3.603 3.603 3.823 -0.220 17780 7623 1 12 . 1 1 122 122 GLU CA C 211 61.132 61.132 60.307 0.825 17780 7624 1 12 . 1 1 122 122 GLU CB C 211 29.153 29.153 28.923 0.230 17780 7625 1 12 . 1 1 122 122 GLU H H 211 8.041 8.041 7.683 0.358 17780 7626 1 12 . 1 1 123 123 GLN N N 212 114.580 114.580 117.612 -3.032 17780 7627 1 12 . 1 1 123 123 GLN HA H 212 3.662 3.662 4.116 -0.454 17780 7628 1 12 . 1 1 123 123 GLN CA C 212 58.509 58.509 58.049 0.460 17780 7629 1 12 . 1 1 123 123 GLN CB C 212 27.824 27.824 27.872 -0.048 17780 7630 1 12 . 1 1 123 123 GLN H H 212 7.096 7.096 7.961 -0.865 17780 7631 1 12 . 1 1 124 124 MET N N 213 119.748 119.748 121.305 -1.557 17780 7632 1 12 . 1 1 124 124 MET HA H 213 4.167 4.167 4.214 -0.047 17780 7633 1 12 . 1 1 124 124 MET CA C 213 59.928 59.928 59.339 0.589 17780 7634 1 12 . 1 1 124 124 MET CB C 213 34.529 34.529 32.780 1.749 17780 7635 1 12 . 1 1 124 124 MET H H 213 8.145 8.145 7.909 0.236 17780 7636 1 12 . 1 1 125 125 CYS N N 214 119.538 119.538 119.357 0.181 17780 7637 1 12 . 1 1 125 125 CYS HA H 214 4.427 4.427 4.189 0.238 17780 7638 1 12 . 1 1 125 125 CYS CA C 214 59.838 59.838 62.354 -2.516 17780 7639 1 12 . 1 1 125 125 CYS CB C 214 41.798 41.798 25.666 16.131 17780 7640 1 12 . 1 1 125 125 CYS H H 214 9.275 9.275 8.332 0.943 17780 7641 1 12 . 1 1 126 126 ILE N N 215 123.982 123.982 121.445 2.537 17780 7642 1 12 . 1 1 126 126 ILE HA H 215 3.579 3.579 3.832 -0.253 17780 7643 1 12 . 1 1 126 126 ILE CA C 215 66.649 66.649 65.885 0.764 17780 7644 1 12 . 1 1 126 126 ILE CB C 215 38.152 38.152 37.968 0.184 17780 7645 1 12 . 1 1 126 126 ILE H H 215 8.434 8.434 8.356 0.078 17780 7646 1 12 . 1 1 127 127 THR N N 216 118.728 118.728 116.483 2.245 17780 7647 1 12 . 1 1 127 127 THR HA H 216 3.835 3.835 3.985 -0.150 17780 7648 1 12 . 1 1 127 127 THR CA C 216 67.425 67.425 67.109 0.316 17780 7649 1 12 . 1 1 127 127 THR CB C 216 68.035 68.035 68.348 -0.313 17780 7650 1 12 . 1 1 127 127 THR H H 216 8.097 8.097 8.220 -0.123 17780 7651 1 12 . 1 1 128 128 GLN N N 217 122.368 122.368 121.061 1.307 17780 7652 1 12 . 1 1 128 128 GLN HA H 217 3.662 3.662 4.144 -0.482 17780 7653 1 12 . 1 1 128 128 GLN CA C 217 58.462 58.462 58.566 -0.104 17780 7654 1 12 . 1 1 128 128 GLN CB C 217 28.075 28.075 28.500 -0.425 17780 7655 1 12 . 1 1 128 128 GLN H H 217 8.637 8.637 7.733 0.904 17780 7656 1 12 . 1 1 129 129 TYR N N 218 121.512 121.512 122.587 -1.075 17780 7657 1 12 . 1 1 129 129 TYR HA H 218 2.929 2.929 4.020 -1.091 17780 7658 1 12 . 1 1 129 129 TYR CA C 218 61.904 61.904 61.564 0.340 17780 7659 1 12 . 1 1 129 129 TYR CB C 218 37.075 37.075 38.470 -1.395 17780 7660 1 12 . 1 1 129 129 TYR H H 218 8.705 8.705 8.967 -0.262 17780 7661 1 12 . 1 1 130 130 LYS N N 219 120.801 120.801 117.451 3.350 17780 7662 1 12 . 1 1 130 130 LYS HA H 219 3.667 3.667 3.625 0.042 17780 7663 1 12 . 1 1 130 130 LYS CA C 219 60.001 60.001 57.831 2.170 17780 7664 1 12 . 1 1 130 130 LYS CB C 219 31.732 31.732 31.562 0.170 17780 7665 1 12 . 1 1 130 130 LYS H H 219 8.232 8.232 8.406 -0.174 17780 7666 1 12 . 1 1 131 131 ARG HA H 220 3.978 3.978 3.975 0.003 17780 7667 1 12 . 1 1 131 131 ARG CA C 220 59.013 59.013 59.351 -0.338 17780 7668 1 12 . 1 1 131 131 ARG CB C 220 30.028 30.028 30.190 -0.162 17780 7669 1 12 . 1 1 132 132 GLU N N 221 119.690 119.690 118.626 1.064 17780 7670 1 12 . 1 1 132 132 GLU HA H 221 4.035 4.035 4.156 -0.121 17780 7671 1 12 . 1 1 132 132 GLU CA C 221 58.006 58.006 57.965 0.041 17780 7672 1 12 . 1 1 132 132 GLU CB C 221 29.270 29.270 28.680 0.590 17780 7673 1 12 . 1 1 132 132 GLU H H 221 8.521 8.521 7.951 0.570 17780 7674 1 12 . 1 1 133 133 SER N N 222 115.963 115.963 116.305 -0.342 17780 7675 1 12 . 1 1 133 133 SER HA H 222 3.884 3.884 3.876 0.008 17780 7676 1 12 . 1 1 133 133 SER CA C 222 61.500 61.500 61.577 -0.077 17780 7677 1 12 . 1 1 133 133 SER CB C 222 62.207 62.207 61.854 0.353 17780 7678 1 12 . 1 1 133 133 SER H H 222 8.543 8.543 8.140 0.403 17780 7679 1 12 . 1 1 134 134 GLN N N 223 120.695 120.695 120.497 0.198 17780 7680 1 12 . 1 1 134 134 GLN HA H 223 4.152 4.152 3.867 0.285 17780 7681 1 12 . 1 1 134 134 GLN CA C 223 58.646 58.646 58.419 0.227 17780 7682 1 12 . 1 1 134 134 GLN CB C 223 28.299 28.299 28.417 -0.118 17780 7683 1 12 . 1 1 134 134 GLN H H 223 7.486 7.486 7.368 0.118 17780 7684 1 12 . 1 1 135 135 ALA N N 224 120.905 120.905 121.040 -0.135 17780 7685 1 12 . 1 1 135 135 ALA HA H 224 4.169 4.169 4.112 0.057 17780 7686 1 12 . 1 1 135 135 ALA CA C 224 54.404 54.404 54.328 0.076 17780 7687 1 12 . 1 1 135 135 ALA CB C 224 18.233 18.233 18.259 -0.025 17780 7688 1 12 . 1 1 135 135 ALA H H 224 7.497 7.497 7.342 0.155 17780 7689 1 12 . 1 1 136 136 TYR N N 225 119.969 119.969 121.488 -1.519 17780 7690 1 12 . 1 1 136 136 TYR HA H 225 4.080 4.080 4.112 -0.032 17780 7691 1 12 . 1 1 136 136 TYR CA C 225 61.060 61.060 60.932 0.128 17780 7692 1 12 . 1 1 136 136 TYR CB C 225 39.008 39.008 38.487 0.521 17780 7693 1 12 . 1 1 136 136 TYR H H 225 8.215 8.215 7.728 0.487 17780 7694 1 12 . 1 1 137 137 TYR N N 226 117.988 117.988 117.111 0.877 17780 7695 1 12 . 1 1 137 137 TYR HA H 226 4.319 4.319 3.952 0.367 17780 7696 1 12 . 1 1 137 137 TYR CA C 226 59.543 59.543 58.400 1.143 17780 7697 1 12 . 1 1 137 137 TYR CB C 226 37.769 37.769 36.709 1.060 17780 7698 1 12 . 1 1 137 137 TYR H H 226 8.022 8.022 8.444 -0.422 17780 7699 1 12 . 1 1 138 138 GLN N N 227 118.911 118.911 118.869 0.042 17780 7700 1 12 . 1 1 138 138 GLN HA H 227 4.189 4.189 4.170 0.019 17780 7701 1 12 . 1 1 138 138 GLN CA C 227 57.002 57.002 57.063 -0.062 17780 7702 1 12 . 1 1 138 138 GLN CB C 227 28.740 28.740 27.496 1.244 17780 7703 1 12 . 1 1 138 138 GLN H H 227 7.838 7.838 7.701 0.137 17780 7704 1 12 . 1 1 139 139 ARG N N 228 119.910 119.910 119.506 0.404 17780 7705 1 12 . 1 1 139 139 ARG HA H 228 4.207 4.207 4.135 0.072 17780 7706 1 12 . 1 1 139 139 ARG CA C 228 57.338 57.338 58.148 -0.810 17780 7707 1 12 . 1 1 139 139 ARG CB C 228 30.390 30.390 29.779 0.611 17780 7708 1 12 . 1 1 139 139 ARG H H 228 7.862 7.862 7.828 0.034 17780 7709 1 12 . 1 1 140 140 GLY N N 229 108.627 108.627 104.973 3.654 17780 7710 1 12 . 1 1 140 140 GLY CA C 229 45.477 45.477 45.383 0.094 17780 7711 1 12 . 1 1 140 140 GLY H H 229 8.092 8.092 8.026 0.066 17780 7712 1 12 . 1 1 141 141 SER N N 230 115.141 115.141 117.664 -2.523 17780 7713 1 12 . 1 1 141 141 SER HA H 230 4.330 4.330 4.299 0.031 17780 7714 1 12 . 1 1 141 141 SER CA C 230 58.650 58.650 59.796 -1.146 17780 7715 1 12 . 1 1 141 141 SER CB C 230 63.641 63.641 63.718 -0.077 17780 7716 1 12 . 1 1 141 141 SER H H 230 8.050 8.050 7.610 0.440 17780 7717 1 13 . 1 1 2 2 GLN N N 91 119.729 119.729 119.342 0.387 17780 7718 1 13 . 1 1 2 2 GLN HA H 91 4.407 4.407 4.652 -0.245 17780 7719 1 13 . 1 1 2 2 GLN CA C 91 55.969 55.969 55.406 0.563 17780 7720 1 13 . 1 1 2 2 GLN CB C 91 29.576 29.576 31.064 -1.488 17780 7721 1 13 . 1 1 2 2 GLN H H 91 8.267 8.267 8.594 -0.327 17780 7722 1 13 . 1 1 3 3 GLY N N 92 110.081 110.081 108.545 1.536 17780 7723 1 13 . 1 1 3 3 GLY CA C 92 45.115 45.115 44.999 0.116 17780 7724 1 13 . 1 1 3 3 GLY H H 92 8.515 8.515 8.282 0.233 17780 7725 1 13 . 1 1 4 4 GLY N N 93 108.748 108.748 105.851 2.897 17780 7726 1 13 . 1 1 4 4 GLY CA C 93 45.228 45.228 45.372 -0.144 17780 7727 1 13 . 1 1 4 4 GLY H H 93 8.331 8.331 9.645 -1.314 17780 7728 1 13 . 1 1 5 5 GLY N N 94 108.857 108.857 108.591 0.266 17780 7729 1 13 . 1 1 5 5 GLY CA C 94 45.172 45.172 45.053 0.119 17780 7730 1 13 . 1 1 5 5 GLY H H 94 8.362 8.362 9.207 -0.845 17780 7731 1 13 . 1 1 6 6 THR N N 95 113.538 113.538 113.055 0.483 17780 7732 1 13 . 1 1 6 6 THR HA H 95 4.282 4.282 5.155 -0.873 17780 7733 1 13 . 1 1 6 6 THR CA C 95 61.906 61.906 61.437 0.469 17780 7734 1 13 . 1 1 6 6 THR CB C 95 69.711 69.711 71.564 -1.853 17780 7735 1 13 . 1 1 6 6 THR H H 95 8.129 8.129 9.109 -0.980 17780 7736 1 13 . 1 1 7 7 HIS N N 96 121.027 121.027 118.465 2.562 17780 7737 1 13 . 1 1 7 7 HIS HA H 96 4.713 4.713 5.273 -0.560 17780 7738 1 13 . 1 1 7 7 HIS CA C 96 55.169 55.169 55.130 0.039 17780 7739 1 13 . 1 1 7 7 HIS CB C 96 29.575 29.575 31.855 -2.280 17780 7740 1 13 . 1 1 7 7 HIS H H 96 8.497 8.497 8.892 -0.395 17780 7741 1 13 . 1 1 8 8 SER N N 97 117.031 117.031 116.247 0.784 17780 7742 1 13 . 1 1 8 8 SER HA H 97 4.405 4.405 4.755 -0.350 17780 7743 1 13 . 1 1 8 8 SER CA C 97 58.379 58.379 57.591 0.788 17780 7744 1 13 . 1 1 8 8 SER CB C 97 63.535 63.535 64.356 -0.821 17780 7745 1 13 . 1 1 8 8 SER H H 97 8.275 8.275 9.018 -0.743 17780 7746 1 13 . 1 1 9 9 GLN N N 98 122.084 122.084 122.816 -0.732 17780 7747 1 13 . 1 1 9 9 GLN HA H 98 4.279 4.279 5.021 -0.742 17780 7748 1 13 . 1 1 9 9 GLN CA C 98 55.970 55.970 55.122 0.848 17780 7749 1 13 . 1 1 9 9 GLN CB C 98 29.157 29.157 30.294 -1.137 17780 7750 1 13 . 1 1 9 9 GLN H H 98 8.462 8.462 8.856 -0.394 17780 7751 1 13 . 1 1 10 10 TRP N N 99 121.630 121.630 122.815 -1.185 17780 7752 1 13 . 1 1 10 10 TRP HA H 99 4.676 4.676 5.359 -0.683 17780 7753 1 13 . 1 1 10 10 TRP CA C 99 57.046 57.046 57.364 -0.318 17780 7754 1 13 . 1 1 10 10 TRP CB C 99 29.440 29.440 31.331 -1.891 17780 7755 1 13 . 1 1 10 10 TRP H H 99 8.086 8.086 9.085 -0.999 17780 7756 1 13 . 1 1 11 11 ASN N N 100 120.591 120.591 120.771 -0.180 17780 7757 1 13 . 1 1 11 11 ASN HA H 100 4.602 4.602 4.451 0.151 17780 7758 1 13 . 1 1 11 11 ASN CA C 100 52.675 52.675 51.602 1.073 17780 7759 1 13 . 1 1 11 11 ASN CB C 100 38.781 38.781 41.114 -2.333 17780 7760 1 13 . 1 1 11 11 ASN H H 100 8.095 8.095 7.428 0.667 17780 7761 1 13 . 1 1 12 12 LYS N N 101 122.656 122.656 120.933 1.723 17780 7762 1 13 . 1 1 12 12 LYS HA H 101 4.435 4.435 4.155 0.280 17780 7763 1 13 . 1 1 12 12 LYS CA C 101 54.139 54.139 54.422 -0.283 17780 7764 1 13 . 1 1 12 12 LYS CB C 101 32.474 32.474 32.781 -0.306 17780 7765 1 13 . 1 1 12 12 LYS H H 101 7.985 7.985 8.016 -0.031 17780 7766 1 13 . 1 1 13 13 PRO HA H 102 4.425 4.425 4.315 0.110 17780 7767 1 13 . 1 1 13 13 PRO CA C 102 63.065 63.065 63.784 -0.719 17780 7768 1 13 . 1 1 13 13 PRO CB C 102 32.056 32.056 32.541 -0.485 17780 7769 1 13 . 1 1 14 14 SER N N 103 116.881 116.881 112.504 4.377 17780 7770 1 13 . 1 1 14 14 SER HA H 103 4.430 4.430 4.509 -0.079 17780 7771 1 13 . 1 1 14 14 SER CA C 103 57.973 57.973 57.662 0.311 17780 7772 1 13 . 1 1 14 14 SER CB C 103 63.669 63.669 64.036 -0.367 17780 7773 1 13 . 1 1 14 14 SER H H 103 8.420 8.420 7.519 0.901 17780 7774 1 13 . 1 1 15 15 LYS N N 104 124.163 124.163 122.056 2.107 17780 7775 1 13 . 1 1 15 15 LYS HA H 104 4.620 4.620 4.743 -0.123 17780 7776 1 13 . 1 1 15 15 LYS CA C 104 54.160 54.160 53.923 0.237 17780 7777 1 13 . 1 1 15 15 LYS CB C 104 32.606 32.606 33.909 -1.303 17780 7778 1 13 . 1 1 15 15 LYS H H 104 8.321 8.321 8.306 0.015 17780 7779 1 13 . 1 1 16 16 PRO HA H 105 4.412 4.412 4.564 -0.152 17780 7780 1 13 . 1 1 16 16 PRO CA C 105 63.012 63.012 62.736 0.276 17780 7781 1 13 . 1 1 16 16 PRO CB C 105 32.152 32.152 32.577 -0.425 17780 7782 1 13 . 1 1 17 17 LYS N N 106 122.072 122.072 120.517 1.555 17780 7783 1 13 . 1 1 17 17 LYS HA H 106 4.338 4.338 4.588 -0.250 17780 7784 1 13 . 1 1 17 17 LYS CA C 106 56.299 56.299 56.209 0.090 17780 7785 1 13 . 1 1 17 17 LYS CB C 106 32.928 32.928 33.165 -0.237 17780 7786 1 13 . 1 1 17 17 LYS H H 106 8.516 8.516 8.446 0.070 17780 7787 1 13 . 1 1 18 18 THR N N 107 115.252 115.252 112.513 2.739 17780 7788 1 13 . 1 1 18 18 THR HA H 107 4.323 4.323 4.285 0.038 17780 7789 1 13 . 1 1 18 18 THR CA C 107 61.523 61.523 62.610 -1.087 17780 7790 1 13 . 1 1 18 18 THR CB C 107 69.778 69.778 68.749 1.029 17780 7791 1 13 . 1 1 18 18 THR H H 107 8.133 8.133 8.147 -0.014 17780 7792 1 13 . 1 1 19 19 ASN N N 108 121.344 121.344 117.711 3.633 17780 7793 1 13 . 1 1 19 19 ASN HA H 108 4.712 4.712 4.679 0.033 17780 7794 1 13 . 1 1 19 19 ASN CA C 108 53.019 53.019 53.405 -0.386 17780 7795 1 13 . 1 1 19 19 ASN CB C 108 38.728 38.728 38.290 0.438 17780 7796 1 13 . 1 1 19 19 ASN H H 108 8.537 8.537 8.027 0.510 17780 7797 1 13 . 1 1 20 20 MET N N 109 121.309 121.309 120.879 0.430 17780 7798 1 13 . 1 1 20 20 MET HA H 109 4.437 4.437 4.448 -0.011 17780 7799 1 13 . 1 1 20 20 MET CA C 109 55.446 55.446 55.715 -0.269 17780 7800 1 13 . 1 1 20 20 MET CB C 109 32.809 32.809 32.198 0.611 17780 7801 1 13 . 1 1 20 20 MET H H 109 8.346 8.346 7.652 0.694 17780 7802 1 13 . 1 1 21 21 LYS N N 110 122.292 122.292 122.164 0.128 17780 7803 1 13 . 1 1 21 21 LYS HA H 110 4.237 4.237 4.835 -0.598 17780 7804 1 13 . 1 1 21 21 LYS CA C 110 56.394 56.394 55.628 0.766 17780 7805 1 13 . 1 1 21 21 LYS CB C 110 32.923 32.923 36.316 -3.393 17780 7806 1 13 . 1 1 21 21 LYS H H 110 8.300 8.300 8.822 -0.522 17780 7807 1 13 . 1 1 22 22 HIS N N 111 120.193 120.193 120.157 0.036 17780 7808 1 13 . 1 1 22 22 HIS HA H 111 4.642 4.642 4.820 -0.178 17780 7809 1 13 . 1 1 22 22 HIS CA C 111 55.391 55.391 55.503 -0.112 17780 7810 1 13 . 1 1 22 22 HIS CB C 111 29.501 29.501 31.291 -1.790 17780 7811 1 13 . 1 1 22 22 HIS H H 111 8.406 8.406 8.687 -0.281 17780 7812 1 13 . 1 1 23 23 MET N N 112 122.529 122.529 119.848 2.681 17780 7813 1 13 . 1 1 23 23 MET HA H 112 4.464 4.464 4.688 -0.224 17780 7814 1 13 . 1 1 23 23 MET CA C 112 55.125 55.125 54.702 0.423 17780 7815 1 13 . 1 1 23 23 MET CB C 112 32.930 32.930 35.279 -2.349 17780 7816 1 13 . 1 1 23 23 MET H H 112 8.326 8.326 7.758 0.568 17780 7817 1 13 . 1 1 24 24 ALA N N 113 125.642 125.642 123.395 2.247 17780 7818 1 13 . 1 1 24 24 ALA HA H 113 4.315 4.315 4.466 -0.151 17780 7819 1 13 . 1 1 24 24 ALA CA C 113 52.521 52.521 51.435 1.086 17780 7820 1 13 . 1 1 24 24 ALA CB C 113 19.181 19.181 19.423 -0.242 17780 7821 1 13 . 1 1 24 24 ALA H H 113 8.370 8.370 8.093 0.277 17780 7822 1 13 . 1 1 25 25 GLY N N 114 108.473 108.473 106.543 1.930 17780 7823 1 13 . 1 1 25 25 GLY CA C 114 45.175 45.175 44.399 0.776 17780 7824 1 13 . 1 1 25 25 GLY H H 114 8.373 8.373 8.067 0.306 17780 7825 1 13 . 1 1 26 26 ALA N N 115 123.872 123.872 122.139 1.733 17780 7826 1 13 . 1 1 26 26 ALA HA H 115 4.316 4.316 4.233 0.083 17780 7827 1 13 . 1 1 26 26 ALA CA C 115 52.496 52.496 51.827 0.669 17780 7828 1 13 . 1 1 26 26 ALA CB C 115 19.181 19.181 19.215 -0.034 17780 7829 1 13 . 1 1 26 26 ALA H H 115 8.134 8.134 8.125 0.009 17780 7830 1 13 . 1 1 27 27 ALA N N 116 123.172 123.172 123.357 -0.185 17780 7831 1 13 . 1 1 27 27 ALA HA H 116 4.287 4.287 4.287 -0.000 17780 7832 1 13 . 1 1 27 27 ALA CA C 116 52.464 52.464 51.686 0.778 17780 7833 1 13 . 1 1 27 27 ALA CB C 116 19.180 19.180 19.463 -0.283 17780 7834 1 13 . 1 1 27 27 ALA H H 116 8.268 8.268 8.188 0.080 17780 7835 1 13 . 1 1 28 28 ALA N N 117 123.253 123.253 123.275 -0.022 17780 7836 1 13 . 1 1 28 28 ALA HA H 117 4.277 4.277 4.243 0.034 17780 7837 1 13 . 1 1 28 28 ALA CA C 117 52.383 52.383 52.101 0.282 17780 7838 1 13 . 1 1 28 28 ALA CB C 117 19.156 19.156 19.503 -0.347 17780 7839 1 13 . 1 1 28 28 ALA H H 117 8.169 8.169 8.373 -0.204 17780 7840 1 13 . 1 1 29 29 ALA N N 118 123.225 123.225 123.594 -0.369 17780 7841 1 13 . 1 1 29 29 ALA HA H 118 4.282 4.282 4.513 -0.231 17780 7842 1 13 . 1 1 29 29 ALA CA C 118 52.469 52.469 51.657 0.812 17780 7843 1 13 . 1 1 29 29 ALA CB C 118 19.129 19.129 20.319 -1.190 17780 7844 1 13 . 1 1 29 29 ALA H H 118 8.204 8.204 8.232 -0.028 17780 7845 1 13 . 1 1 30 30 GLY N N 119 107.906 107.906 113.234 -5.328 17780 7846 1 13 . 1 1 30 30 GLY CA C 119 45.089 45.089 45.703 -0.614 17780 7847 1 13 . 1 1 30 30 GLY H H 119 8.271 8.271 8.995 -0.724 17780 7848 1 13 . 1 1 31 31 ALA N N 120 123.540 123.540 124.340 -0.800 17780 7849 1 13 . 1 1 31 31 ALA HA H 120 4.339 4.339 4.480 -0.141 17780 7850 1 13 . 1 1 31 31 ALA CA C 120 52.282 52.282 52.226 0.056 17780 7851 1 13 . 1 1 31 31 ALA CB C 120 19.432 19.432 19.904 -0.472 17780 7852 1 13 . 1 1 31 31 ALA H H 120 8.039 8.039 7.725 0.314 17780 7853 1 13 . 1 1 32 32 VAL N N 121 119.579 119.579 112.351 7.228 17780 7854 1 13 . 1 1 32 32 VAL HA H 121 4.117 4.117 3.761 0.356 17780 7855 1 13 . 1 1 32 32 VAL CA C 121 62.142 62.142 63.167 -1.025 17780 7856 1 13 . 1 1 32 32 VAL CB C 121 32.673 32.673 29.478 3.195 17780 7857 1 13 . 1 1 32 32 VAL H H 121 8.109 8.109 8.561 -0.452 17780 7858 1 13 . 1 1 33 33 VAL N N 122 124.655 124.655 121.667 2.988 17780 7859 1 13 . 1 1 33 33 VAL HA H 122 4.081 4.081 3.860 0.221 17780 7860 1 13 . 1 1 33 33 VAL CA C 122 62.430 62.430 64.676 -2.246 17780 7861 1 13 . 1 1 33 33 VAL CB C 122 32.675 32.675 31.358 1.317 17780 7862 1 13 . 1 1 33 33 VAL H H 122 8.262 8.262 7.211 1.051 17780 7863 1 13 . 1 1 34 34 GLY N N 123 113.165 113.165 117.552 -4.387 17780 7864 1 13 . 1 1 34 34 GLY CA C 123 45.264 45.264 45.961 -0.697 17780 7865 1 13 . 1 1 34 34 GLY H H 123 8.528 8.528 8.941 -0.413 17780 7866 1 13 . 1 1 35 35 GLY N N 124 108.440 108.440 109.786 -1.346 17780 7867 1 13 . 1 1 35 35 GLY CA C 124 45.264 45.264 45.687 -0.423 17780 7868 1 13 . 1 1 35 35 GLY H H 124 8.245 8.245 8.220 0.025 17780 7869 1 13 . 1 1 36 36 LEU N N 125 121.679 121.679 119.509 2.170 17780 7870 1 13 . 1 1 36 36 LEU HA H 125 4.340 4.340 4.774 -0.434 17780 7871 1 13 . 1 1 36 36 LEU CA C 125 54.808 54.808 55.031 -0.223 17780 7872 1 13 . 1 1 36 36 LEU CB C 125 42.417 42.417 43.834 -1.417 17780 7873 1 13 . 1 1 36 36 LEU H H 125 8.233 8.233 7.507 0.726 17780 7874 1 13 . 1 1 37 37 GLY N N 126 109.818 109.818 109.302 0.516 17780 7875 1 13 . 1 1 37 37 GLY CA C 126 46.266 46.266 46.101 0.165 17780 7876 1 13 . 1 1 37 37 GLY H H 126 8.511 8.511 8.818 -0.307 17780 7877 1 13 . 1 1 38 38 GLY N N 127 109.485 109.485 110.058 -0.573 17780 7878 1 13 . 1 1 38 38 GLY CA C 127 45.029 45.029 45.210 -0.181 17780 7879 1 13 . 1 1 38 38 GLY H H 127 8.374 8.374 7.854 0.520 17780 7880 1 13 . 1 1 39 39 TYR N N 128 117.683 117.683 120.088 -2.405 17780 7881 1 13 . 1 1 39 39 TYR HA H 128 4.501 4.501 4.710 -0.209 17780 7882 1 13 . 1 1 39 39 TYR CA C 128 58.050 58.050 56.487 1.563 17780 7883 1 13 . 1 1 39 39 TYR CB C 128 40.362 40.362 41.968 -1.606 17780 7884 1 13 . 1 1 39 39 TYR H H 128 7.746 7.746 8.109 -0.363 17780 7885 1 13 . 1 1 40 40 MET N N 129 120.902 120.902 116.138 4.764 17780 7886 1 13 . 1 1 40 40 MET HA H 129 4.534 4.534 4.307 0.227 17780 7887 1 13 . 1 1 40 40 MET CA C 129 53.516 53.516 53.440 0.076 17780 7888 1 13 . 1 1 40 40 MET CB C 129 34.851 34.851 37.147 -2.296 17780 7889 1 13 . 1 1 40 40 MET H H 129 9.005 9.005 8.475 0.530 17780 7890 1 13 . 1 1 41 41 LEU N N 130 121.514 121.514 115.664 5.850 17780 7891 1 13 . 1 1 41 41 LEU HA H 130 4.464 4.464 5.352 -0.888 17780 7892 1 13 . 1 1 41 41 LEU CA C 130 53.359 53.359 52.699 0.660 17780 7893 1 13 . 1 1 41 41 LEU CB C 130 43.482 43.482 43.797 -0.316 17780 7894 1 13 . 1 1 41 41 LEU H H 130 8.034 8.034 8.109 -0.075 17780 7895 1 13 . 1 1 42 42 GLY N N 131 114.895 114.895 107.998 6.897 17780 7896 1 13 . 1 1 42 42 GLY CA C 131 44.698 44.698 45.273 -0.575 17780 7897 1 13 . 1 1 42 42 GLY H H 131 9.375 9.375 8.676 0.699 17780 7898 1 13 . 1 1 43 43 SER N N 132 113.692 113.692 118.477 -4.785 17780 7899 1 13 . 1 1 43 43 SER HA H 132 4.429 4.429 4.593 -0.164 17780 7900 1 13 . 1 1 43 43 SER CA C 132 58.191 58.191 58.495 -0.304 17780 7901 1 13 . 1 1 43 43 SER CB C 132 63.938 63.938 64.435 -0.497 17780 7902 1 13 . 1 1 43 43 SER H H 132 8.345 8.345 8.464 -0.119 17780 7903 1 13 . 1 1 44 44 ALA N N 133 125.505 125.505 123.203 2.302 17780 7904 1 13 . 1 1 44 44 ALA HA H 133 4.437 4.437 4.596 -0.159 17780 7905 1 13 . 1 1 44 44 ALA CA C 133 52.936 52.936 52.023 0.913 17780 7906 1 13 . 1 1 44 44 ALA CB C 133 18.412 18.412 20.925 -2.513 17780 7907 1 13 . 1 1 44 44 ALA H H 133 8.735 8.735 8.129 0.606 17780 7908 1 13 . 1 1 45 45 MET N N 134 120.707 120.707 121.936 -1.229 17780 7909 1 13 . 1 1 45 45 MET HA H 134 4.756 4.756 4.916 -0.160 17780 7910 1 13 . 1 1 45 45 MET CA C 134 54.242 54.242 54.985 -0.743 17780 7911 1 13 . 1 1 45 45 MET CB C 134 36.727 36.727 35.589 1.138 17780 7912 1 13 . 1 1 45 45 MET H H 134 8.686 8.686 8.545 0.141 17780 7913 1 13 . 1 1 46 46 SER N N 135 116.235 116.235 115.622 0.613 17780 7914 1 13 . 1 1 46 46 SER HA H 135 4.375 4.375 4.503 -0.128 17780 7915 1 13 . 1 1 46 46 SER CA C 135 58.410 58.410 58.359 0.051 17780 7916 1 13 . 1 1 46 46 SER CB C 135 63.016 63.016 64.157 -1.141 17780 7917 1 13 . 1 1 46 46 SER H H 135 8.397 8.397 8.351 0.046 17780 7918 1 13 . 1 1 47 47 ARG N N 136 126.632 126.632 125.041 1.591 17780 7919 1 13 . 1 1 47 47 ARG HA H 136 4.406 4.406 4.753 -0.347 17780 7920 1 13 . 1 1 47 47 ARG CA C 136 54.783 54.783 53.738 1.045 17780 7921 1 13 . 1 1 47 47 ARG CB C 136 29.040 29.040 30.155 -1.115 17780 7922 1 13 . 1 1 47 47 ARG H H 136 8.668 8.668 8.645 0.023 17780 7923 1 13 . 1 1 48 48 PRO HA H 137 4.422 4.422 4.581 -0.159 17780 7924 1 13 . 1 1 48 48 PRO CA C 137 62.327 62.327 62.595 -0.268 17780 7925 1 13 . 1 1 48 48 PRO CB C 137 32.269 32.269 32.550 -0.280 17780 7926 1 13 . 1 1 49 49 ILE N N 138 122.521 122.521 120.841 1.680 17780 7927 1 13 . 1 1 49 49 ILE HA H 138 4.148 4.148 4.154 -0.006 17780 7928 1 13 . 1 1 49 49 ILE CA C 138 60.916 60.916 60.661 0.255 17780 7929 1 13 . 1 1 49 49 ILE CB C 138 36.234 36.234 38.957 -2.723 17780 7930 1 13 . 1 1 49 49 ILE H H 138 8.603 8.603 8.111 0.492 17780 7931 1 13 . 1 1 50 50 ILE N N 139 126.683 126.683 125.452 1.231 17780 7932 1 13 . 1 1 50 50 ILE HA H 139 3.927 3.927 3.760 0.167 17780 7933 1 13 . 1 1 50 50 ILE CA C 139 58.700 58.700 58.827 -0.127 17780 7934 1 13 . 1 1 50 50 ILE CB C 139 39.345 39.345 40.753 -1.408 17780 7935 1 13 . 1 1 50 50 ILE H H 139 6.514 6.514 7.994 -1.480 17780 7936 1 13 . 1 1 51 51 HIS N N 140 121.997 121.997 122.569 -0.572 17780 7937 1 13 . 1 1 51 51 HIS HA H 140 4.918 4.918 4.463 0.455 17780 7938 1 13 . 1 1 51 51 HIS CA C 140 54.065 54.065 55.045 -0.980 17780 7939 1 13 . 1 1 51 51 HIS CB C 140 29.466 29.466 27.650 1.816 17780 7940 1 13 . 1 1 51 51 HIS H H 140 8.203 8.203 7.413 0.790 17780 7941 1 13 . 1 1 52 52 PHE N N 141 124.334 124.334 123.017 1.317 17780 7942 1 13 . 1 1 52 52 PHE HA H 141 4.348 4.348 4.382 -0.034 17780 7943 1 13 . 1 1 52 52 PHE CA C 141 59.251 59.251 59.346 -0.095 17780 7944 1 13 . 1 1 52 52 PHE CB C 141 41.448 41.448 39.507 1.941 17780 7945 1 13 . 1 1 52 52 PHE H H 141 10.160 10.160 7.963 2.197 17780 7946 1 13 . 1 1 53 53 GLY N N 142 108.368 108.368 104.298 4.070 17780 7947 1 13 . 1 1 53 53 GLY CA C 142 45.516 45.516 45.329 0.187 17780 7948 1 13 . 1 1 53 53 GLY H H 142 8.984 8.984 8.038 0.946 17780 7949 1 13 . 1 1 54 54 SER N N 143 111.819 111.819 114.226 -2.407 17780 7950 1 13 . 1 1 54 54 SER HA H 143 4.810 4.810 4.595 0.215 17780 7951 1 13 . 1 1 54 54 SER CA C 143 56.498 56.498 57.218 -0.720 17780 7952 1 13 . 1 1 54 54 SER CB C 143 65.964 65.964 64.619 1.345 17780 7953 1 13 . 1 1 54 54 SER H H 143 7.334 7.334 7.658 -0.324 17780 7954 1 13 . 1 1 55 55 ASP N N 144 124.249 124.249 122.517 1.732 17780 7955 1 13 . 1 1 55 55 ASP HA H 144 4.500 4.500 4.504 -0.004 17780 7956 1 13 . 1 1 55 55 ASP CA C 144 57.493 57.493 57.204 0.289 17780 7957 1 13 . 1 1 55 55 ASP CB C 144 40.664 40.664 40.752 -0.087 17780 7958 1 13 . 1 1 55 55 ASP H H 144 9.014 9.014 8.700 0.314 17780 7959 1 13 . 1 1 56 56 TYR N N 145 118.991 118.991 115.388 3.603 17780 7960 1 13 . 1 1 56 56 TYR HA H 145 4.196 4.196 4.418 -0.222 17780 7961 1 13 . 1 1 56 56 TYR CA C 145 61.351 61.351 59.262 2.089 17780 7962 1 13 . 1 1 56 56 TYR CB C 145 38.075 38.075 36.947 1.128 17780 7963 1 13 . 1 1 56 56 TYR H H 145 8.551 8.551 7.635 0.916 17780 7964 1 13 . 1 1 57 57 GLU N N 146 119.217 119.217 120.312 -1.095 17780 7965 1 13 . 1 1 57 57 GLU HA H 146 3.563 3.563 4.406 -0.843 17780 7966 1 13 . 1 1 57 57 GLU CA C 146 59.921 59.921 59.307 0.614 17780 7967 1 13 . 1 1 57 57 GLU CB C 146 30.297 30.297 29.538 0.759 17780 7968 1 13 . 1 1 57 57 GLU H H 146 7.741 7.741 7.638 0.103 17780 7969 1 13 . 1 1 58 58 ASP N N 147 119.565 119.565 121.179 -1.614 17780 7970 1 13 . 1 1 58 58 ASP HA H 147 4.498 4.498 4.583 -0.085 17780 7971 1 13 . 1 1 58 58 ASP CA C 147 58.185 58.185 57.709 0.476 17780 7972 1 13 . 1 1 58 58 ASP CB C 147 40.598 40.598 40.977 -0.379 17780 7973 1 13 . 1 1 58 58 ASP H H 147 8.139 8.139 8.044 0.095 17780 7974 1 13 . 1 1 59 59 ARG N N 148 120.296 120.296 118.752 1.544 17780 7975 1 13 . 1 1 59 59 ARG HA H 148 4.004 4.004 4.066 -0.062 17780 7976 1 13 . 1 1 59 59 ARG CA C 148 59.393 59.393 58.823 0.570 17780 7977 1 13 . 1 1 59 59 ARG CB C 148 29.910 29.910 29.800 0.110 17780 7978 1 13 . 1 1 59 59 ARG H H 148 8.181 8.181 7.796 0.385 17780 7979 1 13 . 1 1 60 60 TYR N N 149 121.152 121.152 122.689 -1.537 17780 7980 1 13 . 1 1 60 60 TYR HA H 149 3.819 3.819 4.492 -0.673 17780 7981 1 13 . 1 1 60 60 TYR CA C 149 62.195 62.195 59.616 2.579 17780 7982 1 13 . 1 1 60 60 TYR CB C 149 37.808 37.808 38.277 -0.469 17780 7983 1 13 . 1 1 60 60 TYR H H 149 8.333 8.333 7.767 0.566 17780 7984 1 13 . 1 1 61 61 TYR N N 150 120.365 120.365 121.781 -1.416 17780 7985 1 13 . 1 1 61 61 TYR HA H 150 4.122 4.122 3.397 0.725 17780 7986 1 13 . 1 1 61 61 TYR CA C 150 62.969 62.969 60.667 2.302 17780 7987 1 13 . 1 1 61 61 TYR CB C 150 38.207 38.207 38.029 0.178 17780 7988 1 13 . 1 1 61 61 TYR H H 150 8.942 8.942 8.307 0.635 17780 7989 1 13 . 1 1 62 62 ARG N N 151 117.982 117.982 116.566 1.416 17780 7990 1 13 . 1 1 62 62 ARG HA H 151 3.938 3.938 3.398 0.540 17780 7991 1 13 . 1 1 62 62 ARG CA C 151 59.940 59.940 58.506 1.434 17780 7992 1 13 . 1 1 62 62 ARG CB C 151 29.731 29.731 29.635 0.096 17780 7993 1 13 . 1 1 62 62 ARG H H 151 7.938 7.938 7.748 0.190 17780 7994 1 13 . 1 1 63 63 GLU N N 152 116.389 116.389 118.864 -2.475 17780 7995 1 13 . 1 1 63 63 GLU HA H 152 4.059 4.059 4.112 -0.053 17780 7996 1 13 . 1 1 63 63 GLU CA C 152 57.990 57.990 58.962 -0.973 17780 7997 1 13 . 1 1 63 63 GLU CB C 152 29.915 29.915 29.701 0.214 17780 7998 1 13 . 1 1 63 63 GLU H H 152 8.068 8.068 7.654 0.413 17780 7999 1 13 . 1 1 64 64 ASN N N 153 114.690 114.690 116.961 -2.271 17780 8000 1 13 . 1 1 64 64 ASN HA H 153 4.406 4.406 4.350 0.056 17780 8001 1 13 . 1 1 64 64 ASN CA C 153 54.814 54.814 54.433 0.381 17780 8002 1 13 . 1 1 64 64 ASN CB C 153 41.178 41.178 38.022 3.156 17780 8003 1 13 . 1 1 64 64 ASN H H 153 7.525 7.525 7.375 0.150 17780 8004 1 13 . 1 1 65 65 MET N N 154 119.058 119.058 121.361 -2.303 17780 8005 1 13 . 1 1 65 65 MET HA H 154 3.417 3.417 3.457 -0.040 17780 8006 1 13 . 1 1 65 65 MET CA C 154 59.193 59.193 58.080 1.113 17780 8007 1 13 . 1 1 65 65 MET CB C 154 30.258 30.258 31.644 -1.386 17780 8008 1 13 . 1 1 65 65 MET H H 154 7.993 7.993 7.510 0.483 17780 8009 1 13 . 1 1 66 66 HIS N N 155 116.083 116.083 115.931 0.152 17780 8010 1 13 . 1 1 66 66 HIS HA H 155 4.208 4.208 4.306 -0.098 17780 8011 1 13 . 1 1 66 66 HIS CA C 155 57.382 57.382 58.800 -1.419 17780 8012 1 13 . 1 1 66 66 HIS CB C 155 28.955 28.955 29.644 -0.689 17780 8013 1 13 . 1 1 66 66 HIS H H 155 7.988 7.988 7.351 0.637 17780 8014 1 13 . 1 1 67 67 ARG N N 156 118.993 118.993 116.090 2.903 17780 8015 1 13 . 1 1 67 67 ARG HA H 156 4.133 4.133 4.437 -0.304 17780 8016 1 13 . 1 1 67 67 ARG CA C 156 56.135 56.135 56.511 -0.376 17780 8017 1 13 . 1 1 67 67 ARG CB C 156 30.521 30.521 30.765 -0.244 17780 8018 1 13 . 1 1 67 67 ARG H H 156 7.488 7.488 7.571 -0.083 17780 8019 1 13 . 1 1 68 68 TYR N N 157 121.321 121.321 120.241 1.080 17780 8020 1 13 . 1 1 68 68 TYR HA H 157 4.991 4.991 4.833 0.158 17780 8021 1 13 . 1 1 68 68 TYR CA C 157 52.644 52.644 54.025 -1.381 17780 8022 1 13 . 1 1 68 68 TYR CB C 157 34.873 34.873 37.870 -2.997 17780 8023 1 13 . 1 1 68 68 TYR H H 157 7.433 7.433 7.516 -0.083 17780 8024 1 13 . 1 1 69 69 PRO HA H 158 4.338 4.338 4.485 -0.147 17780 8025 1 13 . 1 1 69 69 PRO CA C 158 63.651 63.651 62.609 1.042 17780 8026 1 13 . 1 1 69 69 PRO CB C 158 32.005 32.005 33.225 -1.220 17780 8027 1 13 . 1 1 70 70 ASN N N 159 116.696 116.696 116.649 0.047 17780 8028 1 13 . 1 1 70 70 ASN HA H 159 4.690 4.690 4.721 -0.031 17780 8029 1 13 . 1 1 70 70 ASN CA C 159 51.997 51.997 53.088 -1.091 17780 8030 1 13 . 1 1 70 70 ASN CB C 159 38.375 38.375 39.593 -1.218 17780 8031 1 13 . 1 1 70 70 ASN H H 159 8.673 8.673 8.675 -0.002 17780 8032 1 13 . 1 1 71 71 GLN N N 160 114.313 114.313 117.289 -2.976 17780 8033 1 13 . 1 1 71 71 GLN HA H 160 4.523 4.523 4.695 -0.172 17780 8034 1 13 . 1 1 71 71 GLN CA C 160 54.286 54.286 54.517 -0.231 17780 8035 1 13 . 1 1 71 71 GLN CB C 160 32.975 32.975 32.656 0.320 17780 8036 1 13 . 1 1 71 71 GLN H H 160 7.319 7.319 7.694 -0.375 17780 8037 1 13 . 1 1 72 72 VAL N N 161 112.569 112.569 114.540 -1.971 17780 8038 1 13 . 1 1 72 72 VAL HA H 161 4.927 4.927 4.549 0.378 17780 8039 1 13 . 1 1 72 72 VAL CA C 161 58.651 58.651 59.871 -1.220 17780 8040 1 13 . 1 1 72 72 VAL CB C 161 33.812 33.812 34.078 -0.266 17780 8041 1 13 . 1 1 72 72 VAL H H 161 8.477 8.477 8.217 0.260 17780 8042 1 13 . 1 1 73 73 TYR N N 162 121.525 121.525 124.267 -2.742 17780 8043 1 13 . 1 1 73 73 TYR HA H 162 5.507 5.507 5.478 0.029 17780 8044 1 13 . 1 1 73 73 TYR CA C 162 57.133 57.133 56.557 0.576 17780 8045 1 13 . 1 1 73 73 TYR CB C 162 41.970 41.970 41.150 0.820 17780 8046 1 13 . 1 1 73 73 TYR H H 162 8.490 8.490 8.544 -0.054 17780 8047 1 13 . 1 1 74 74 TYR N N 163 111.081 111.081 119.622 -8.541 17780 8048 1 13 . 1 1 74 74 TYR HA H 163 4.758 4.758 5.243 -0.485 17780 8049 1 13 . 1 1 74 74 TYR CA C 163 55.367 55.367 56.826 -1.459 17780 8050 1 13 . 1 1 74 74 TYR CB C 163 40.401 40.401 39.929 0.472 17780 8051 1 13 . 1 1 74 74 TYR H H 163 8.593 8.593 8.873 -0.280 17780 8052 1 13 . 1 1 76 76 PRO HA H 165 4.490 4.490 4.352 0.138 17780 8053 1 13 . 1 1 76 76 PRO CA C 165 62.967 62.967 63.389 -0.422 17780 8054 1 13 . 1 1 76 76 PRO CB C 165 32.372 32.372 32.849 -0.477 17780 8055 1 13 . 1 1 77 77 MET N N 166 121.408 121.408 118.710 2.698 17780 8056 1 13 . 1 1 77 77 MET HA H 166 4.438 4.438 4.072 0.366 17780 8057 1 13 . 1 1 77 77 MET CA C 166 57.081 57.081 55.054 2.027 17780 8058 1 13 . 1 1 77 77 MET CB C 166 32.165 32.165 30.301 1.864 17780 8059 1 13 . 1 1 77 77 MET H H 166 9.013 9.013 8.593 0.420 17780 8060 1 13 . 1 1 78 78 ASP N N 167 119.933 119.933 119.376 0.557 17780 8061 1 13 . 1 1 78 78 ASP HA H 167 4.754 4.754 4.859 -0.105 17780 8062 1 13 . 1 1 78 78 ASP CA C 167 52.485 52.485 53.713 -1.228 17780 8063 1 13 . 1 1 78 78 ASP CB C 167 38.802 38.802 43.017 -4.215 17780 8064 1 13 . 1 1 78 78 ASP H H 167 8.176 8.176 7.733 0.443 17780 8065 1 13 . 1 1 79 79 GLU N N 168 116.934 116.934 122.583 -5.649 17780 8066 1 13 . 1 1 79 79 GLU HA H 168 4.308 4.308 3.888 0.420 17780 8067 1 13 . 1 1 79 79 GLU CA C 168 58.638 58.638 59.710 -1.072 17780 8068 1 13 . 1 1 79 79 GLU CB C 168 29.185 29.185 29.002 0.183 17780 8069 1 13 . 1 1 79 79 GLU H H 168 8.332 8.332 9.104 -0.772 17780 8070 1 13 . 1 1 81 81 SER N N 170 116.603 116.603 119.038 -2.435 17780 8071 1 13 . 1 1 81 81 SER HA H 170 4.374 4.374 4.593 -0.219 17780 8072 1 13 . 1 1 81 81 SER CA C 170 58.475 58.475 58.063 0.412 17780 8073 1 13 . 1 1 81 81 SER CB C 170 63.677 63.677 62.001 1.676 17780 8074 1 13 . 1 1 81 81 SER H H 170 8.560 8.560 8.443 0.117 17780 8075 1 13 . 1 1 83 83 GLN N N 172 120.404 120.404 121.227 -0.823 17780 8076 1 13 . 1 1 83 83 GLN HA H 172 4.750 4.750 4.585 0.165 17780 8077 1 13 . 1 1 83 83 GLN CA C 172 59.899 59.899 54.291 5.608 17780 8078 1 13 . 1 1 83 83 GLN CB C 172 29.023 29.023 32.444 -3.421 17780 8079 1 13 . 1 1 83 83 GLN H H 172 8.635 8.635 8.216 0.419 17780 8080 1 13 . 1 1 84 84 ASN N N 173 116.470 116.470 119.184 -2.714 17780 8081 1 13 . 1 1 84 84 ASN HA H 173 4.237 4.237 4.296 -0.059 17780 8082 1 13 . 1 1 84 84 ASN CA C 173 56.470 56.470 55.805 0.665 17780 8083 1 13 . 1 1 84 84 ASN CB C 173 37.812 37.812 38.502 -0.690 17780 8084 1 13 . 1 1 84 84 ASN H H 173 8.352 8.352 8.883 -0.531 17780 8085 1 13 . 1 1 85 85 ASN N N 174 118.500 118.500 117.492 1.008 17780 8086 1 13 . 1 1 85 85 ASN HA H 174 4.534 4.534 4.445 0.089 17780 8087 1 13 . 1 1 85 85 ASN CA C 174 55.905 55.905 54.893 1.012 17780 8088 1 13 . 1 1 85 85 ASN CB C 174 37.760 37.760 37.417 0.343 17780 8089 1 13 . 1 1 85 85 ASN H H 174 8.602 8.602 8.571 0.031 17780 8090 1 13 . 1 1 86 86 PHE CB C 175 39.641 39.641 38.225 1.416 17780 8091 1 13 . 1 1 87 87 VAL N N 176 120.134 120.134 121.057 -0.923 17780 8092 1 13 . 1 1 87 87 VAL HA H 176 3.564 3.564 2.603 0.961 17780 8093 1 13 . 1 1 87 87 VAL CA C 176 67.737 67.737 65.730 2.007 17780 8094 1 13 . 1 1 87 87 VAL CB C 176 31.951 31.951 30.891 1.060 17780 8095 1 13 . 1 1 87 87 VAL H H 176 9.002 9.002 7.202 1.800 17780 8096 1 13 . 1 1 88 88 HIS N N 177 117.217 117.217 117.973 -0.756 17780 8097 1 13 . 1 1 88 88 HIS HA H 177 4.304 4.304 4.165 0.139 17780 8098 1 13 . 1 1 88 88 HIS CA C 177 59.781 59.781 58.802 0.979 17780 8099 1 13 . 1 1 88 88 HIS CB C 177 28.264 28.264 29.843 -1.579 17780 8100 1 13 . 1 1 88 88 HIS H H 177 8.330 8.330 7.880 0.450 17780 8101 1 13 . 1 1 89 89 ASP N N 178 118.497 118.497 119.674 -1.177 17780 8102 1 13 . 1 1 89 89 ASP HA H 178 4.500 4.500 4.571 -0.071 17780 8103 1 13 . 1 1 89 89 ASP CA C 178 57.423 57.423 56.449 0.974 17780 8104 1 13 . 1 1 89 89 ASP CB C 178 41.792 41.792 41.241 0.551 17780 8105 1 13 . 1 1 89 89 ASP H H 178 7.696 7.696 7.868 -0.172 17780 8106 1 13 . 1 1 90 90 CYS N N 179 119.012 119.012 120.635 -1.623 17780 8107 1 13 . 1 1 90 90 CYS HA H 179 4.753 4.753 4.239 0.514 17780 8108 1 13 . 1 1 90 90 CYS CA C 179 58.466 58.466 62.034 -3.568 17780 8109 1 13 . 1 1 90 90 CYS CB C 179 40.758 40.758 25.813 14.945 17780 8110 1 13 . 1 1 90 90 CYS H H 179 8.037 8.037 7.584 0.453 17780 8111 1 13 . 1 1 91 91 VAL N N 180 125.063 125.063 120.356 4.707 17780 8112 1 13 . 1 1 91 91 VAL HA H 180 3.667 3.667 3.501 0.166 17780 8113 1 13 . 1 1 91 91 VAL CA C 180 66.293 66.293 66.625 -0.332 17780 8114 1 13 . 1 1 91 91 VAL CB C 180 32.028 32.028 31.655 0.373 17780 8115 1 13 . 1 1 91 91 VAL H H 180 9.212 9.212 8.636 0.576 17780 8116 1 13 . 1 1 92 92 ASN N N 181 116.153 116.153 119.113 -2.960 17780 8117 1 13 . 1 1 92 92 ASN HA H 181 4.311 4.311 4.391 -0.080 17780 8118 1 13 . 1 1 92 92 ASN CA C 181 56.622 56.622 56.287 0.335 17780 8119 1 13 . 1 1 92 92 ASN CB C 181 38.749 38.749 38.086 0.663 17780 8120 1 13 . 1 1 92 92 ASN H H 181 7.626 7.626 7.409 0.217 17780 8121 1 13 . 1 1 93 93 ILE N N 182 118.637 118.637 119.826 -1.189 17780 8122 1 13 . 1 1 93 93 ILE HA H 182 3.787 3.787 3.661 0.126 17780 8123 1 13 . 1 1 93 93 ILE CA C 182 62.078 62.078 64.026 -1.948 17780 8124 1 13 . 1 1 93 93 ILE CB C 182 36.535 36.535 36.112 0.423 17780 8125 1 13 . 1 1 93 93 ILE H H 182 8.610 8.610 8.619 -0.009 17780 8126 1 13 . 1 1 94 94 THR N N 183 118.229 118.229 117.658 0.571 17780 8127 1 13 . 1 1 94 94 THR HA H 183 4.097 4.097 4.026 0.071 17780 8128 1 13 . 1 1 94 94 THR CA C 183 68.834 68.834 67.392 1.442 17780 8129 1 13 . 1 1 94 94 THR CB C 183 68.258 68.258 68.567 -0.309 17780 8130 1 13 . 1 1 94 94 THR H H 183 8.140 8.140 8.135 0.005 17780 8131 1 13 . 1 1 95 95 ILE N N 184 120.906 120.906 121.592 -0.686 17780 8132 1 13 . 1 1 95 95 ILE HA H 184 3.666 3.666 3.871 -0.205 17780 8133 1 13 . 1 1 95 95 ILE CA C 184 66.259 66.259 63.226 3.033 17780 8134 1 13 . 1 1 95 95 ILE CB C 184 36.824 36.824 37.820 -0.996 17780 8135 1 13 . 1 1 95 95 ILE H H 184 8.450 8.450 7.889 0.561 17780 8136 1 13 . 1 1 96 96 LYS N N 185 123.208 123.208 121.476 1.732 17780 8137 1 13 . 1 1 96 96 LYS HA H 185 4.067 4.067 3.806 0.261 17780 8138 1 13 . 1 1 96 96 LYS CA C 185 59.987 59.987 60.203 -0.216 17780 8139 1 13 . 1 1 96 96 LYS CB C 185 32.119 32.119 32.097 0.022 17780 8140 1 13 . 1 1 96 96 LYS H H 185 8.067 8.067 8.352 -0.285 17780 8141 1 13 . 1 1 97 97 GLN N N 186 116.879 116.879 118.167 -1.288 17780 8142 1 13 . 1 1 97 97 GLN HA H 186 4.059 4.059 3.934 0.125 17780 8143 1 13 . 1 1 97 97 GLN CA C 186 58.010 58.010 58.778 -0.768 17780 8144 1 13 . 1 1 97 97 GLN CB C 186 27.982 27.982 28.085 -0.103 17780 8145 1 13 . 1 1 97 97 GLN H H 186 8.493 8.493 8.238 0.255 17780 8146 1 13 . 1 1 98 98 HIS N N 187 119.676 119.676 121.440 -1.764 17780 8147 1 13 . 1 1 98 98 HIS HA H 187 4.579 4.579 4.427 0.152 17780 8148 1 13 . 1 1 98 98 HIS CA C 187 59.465 59.465 59.206 0.259 17780 8149 1 13 . 1 1 98 98 HIS CB C 187 31.628 31.628 29.727 1.901 17780 8150 1 13 . 1 1 98 98 HIS H H 187 8.435 8.435 7.729 0.706 17780 8151 1 13 . 1 1 99 99 THR N N 188 114.500 114.500 115.271 -0.771 17780 8152 1 13 . 1 1 99 99 THR HA H 188 4.090 4.090 3.699 0.391 17780 8153 1 13 . 1 1 99 99 THR CA C 188 66.210 66.210 65.730 0.480 17780 8154 1 13 . 1 1 99 99 THR CB C 188 68.800 68.800 68.348 0.452 17780 8155 1 13 . 1 1 99 99 THR H H 188 8.440 8.440 8.221 0.219 17780 8156 1 13 . 1 1 100 100 VAL N N 189 122.934 122.934 121.108 1.826 17780 8157 1 13 . 1 1 100 100 VAL HA H 189 3.838 3.838 3.791 0.047 17780 8158 1 13 . 1 1 100 100 VAL CA C 189 65.832 65.832 65.672 0.160 17780 8159 1 13 . 1 1 100 100 VAL CB C 189 31.897 31.897 31.701 0.196 17780 8160 1 13 . 1 1 100 100 VAL H H 189 8.057 8.057 8.181 -0.124 17780 8161 1 13 . 1 1 101 101 THR N N 190 115.101 115.101 113.751 1.350 17780 8162 1 13 . 1 1 101 101 THR HA H 190 4.140 4.140 4.042 0.098 17780 8163 1 13 . 1 1 101 101 THR CA C 190 64.907 64.907 66.438 -1.530 17780 8164 1 13 . 1 1 101 101 THR CB C 190 69.041 69.041 68.190 0.851 17780 8165 1 13 . 1 1 101 101 THR H H 190 8.131 8.131 7.613 0.518 17780 8166 1 13 . 1 1 102 102 THR N N 191 114.546 114.546 119.584 -5.038 17780 8167 1 13 . 1 1 102 102 THR HA H 191 4.092 4.092 3.856 0.236 17780 8168 1 13 . 1 1 102 102 THR CA C 191 64.801 64.801 67.273 -2.473 17780 8169 1 13 . 1 1 102 102 THR CB C 191 69.145 69.145 68.509 0.636 17780 8170 1 13 . 1 1 102 102 THR H H 191 8.011 8.011 8.187 -0.176 17780 8171 1 13 . 1 1 103 103 THR N N 192 117.876 117.876 113.446 4.430 17780 8172 1 13 . 1 1 103 103 THR HA H 192 4.373 4.373 4.604 -0.231 17780 8173 1 13 . 1 1 103 103 THR CA C 192 64.935 64.935 64.922 0.013 17780 8174 1 13 . 1 1 103 103 THR CB C 192 69.043 69.043 68.837 0.206 17780 8175 1 13 . 1 1 103 103 THR H H 192 8.224 8.224 7.710 0.514 17780 8176 1 13 . 1 1 104 104 THR N N 193 116.232 116.232 117.960 -1.728 17780 8177 1 13 . 1 1 104 104 THR HA H 193 4.204 4.204 4.091 0.113 17780 8178 1 13 . 1 1 104 104 THR CA C 193 64.311 64.311 65.405 -1.094 17780 8179 1 13 . 1 1 104 104 THR CB C 193 68.981 68.981 68.803 0.178 17780 8180 1 13 . 1 1 104 104 THR H H 193 7.805 7.805 7.750 0.055 17780 8181 1 13 . 1 1 105 105 LYS N N 194 119.843 119.843 118.819 1.024 17780 8182 1 13 . 1 1 105 105 LYS HA H 194 4.384 4.384 4.373 0.011 17780 8183 1 13 . 1 1 105 105 LYS CA C 194 56.220 56.220 55.358 0.862 17780 8184 1 13 . 1 1 105 105 LYS CB C 194 32.527 32.527 32.282 0.245 17780 8185 1 13 . 1 1 105 105 LYS H H 194 7.504 7.504 7.759 -0.255 17780 8186 1 13 . 1 1 106 106 GLY N N 195 107.946 107.946 107.668 0.278 17780 8187 1 13 . 1 1 106 106 GLY CA C 195 45.431 45.431 45.282 0.149 17780 8188 1 13 . 1 1 106 106 GLY H H 195 7.924 7.924 7.641 0.283 17780 8189 1 13 . 1 1 107 107 GLU N N 196 120.063 120.063 120.382 -0.319 17780 8190 1 13 . 1 1 107 107 GLU HA H 196 4.255 4.255 4.603 -0.348 17780 8191 1 13 . 1 1 107 107 GLU CA C 196 55.597 55.597 55.003 0.594 17780 8192 1 13 . 1 1 107 107 GLU CB C 196 31.073 31.073 32.153 -1.080 17780 8193 1 13 . 1 1 107 107 GLU H H 196 7.465 7.465 8.199 -0.734 17780 8194 1 13 . 1 1 108 108 ASN N N 197 119.350 119.350 118.868 0.482 17780 8195 1 13 . 1 1 108 108 ASN HA H 197 4.657 4.657 5.046 -0.389 17780 8196 1 13 . 1 1 108 108 ASN CA C 197 52.673 52.673 53.055 -0.382 17780 8197 1 13 . 1 1 108 108 ASN CB C 197 40.827 40.827 40.067 0.760 17780 8198 1 13 . 1 1 108 108 ASN H H 197 8.458 8.458 8.593 -0.135 17780 8199 1 13 . 1 1 109 109 PHE N N 198 121.688 121.688 120.654 1.034 17780 8200 1 13 . 1 1 109 109 PHE HA H 198 5.317 5.317 4.789 0.528 17780 8201 1 13 . 1 1 109 109 PHE CA C 198 56.571 56.571 56.529 0.042 17780 8202 1 13 . 1 1 109 109 PHE CB C 198 40.093 40.093 42.544 -2.451 17780 8203 1 13 . 1 1 109 109 PHE H H 198 8.709 8.709 8.665 0.044 17780 8204 1 13 . 1 1 110 110 THR N N 199 115.904 115.904 115.470 0.434 17780 8205 1 13 . 1 1 110 110 THR HA H 199 4.624 4.624 4.656 -0.032 17780 8206 1 13 . 1 1 110 110 THR CA C 199 60.343 60.343 61.309 -0.966 17780 8207 1 13 . 1 1 110 110 THR CB C 199 72.033 72.033 70.632 1.401 17780 8208 1 13 . 1 1 110 110 THR H H 199 9.547 9.547 9.196 0.351 17780 8209 1 13 . 1 1 111 111 GLU N N 200 119.988 119.988 120.691 -0.703 17780 8210 1 13 . 1 1 111 111 GLU HA H 200 4.067 4.067 4.040 0.027 17780 8211 1 13 . 1 1 111 111 GLU CA C 200 60.027 60.027 59.730 0.297 17780 8212 1 13 . 1 1 111 111 GLU CB C 200 28.976 28.976 28.651 0.326 17780 8213 1 13 . 1 1 111 111 GLU H H 200 9.132 9.132 9.033 0.099 17780 8214 1 13 . 1 1 112 112 THR N N 201 116.221 116.221 116.349 -0.128 17780 8215 1 13 . 1 1 112 112 THR HA H 201 3.796 3.796 4.108 -0.312 17780 8216 1 13 . 1 1 112 112 THR CA C 201 66.781 66.781 67.047 -0.266 17780 8217 1 13 . 1 1 112 112 THR CB C 201 68.581 68.581 68.256 0.325 17780 8218 1 13 . 1 1 112 112 THR H H 201 7.934 7.934 8.189 -0.255 17780 8219 1 13 . 1 1 113 113 ASP N N 202 120.001 120.001 122.907 -2.906 17780 8220 1 13 . 1 1 113 113 ASP HA H 202 4.598 4.598 4.674 -0.076 17780 8221 1 13 . 1 1 113 113 ASP CA C 202 57.984 57.984 57.786 0.198 17780 8222 1 13 . 1 1 113 113 ASP CB C 202 41.756 41.756 40.851 0.905 17780 8223 1 13 . 1 1 113 113 ASP H H 202 7.503 7.503 7.996 -0.493 17780 8224 1 13 . 1 1 114 114 VAL N N 203 119.529 119.529 120.065 -0.536 17780 8225 1 13 . 1 1 114 114 VAL HA H 203 3.279 3.279 3.581 -0.302 17780 8226 1 13 . 1 1 114 114 VAL CA C 203 67.817 67.817 66.573 1.244 17780 8227 1 13 . 1 1 114 114 VAL CB C 203 31.528 31.528 31.578 -0.050 17780 8228 1 13 . 1 1 114 114 VAL H H 203 8.209 8.209 7.842 0.367 17780 8229 1 13 . 1 1 115 115 LYS N N 204 119.051 119.051 120.443 -1.392 17780 8230 1 13 . 1 1 115 115 LYS HA H 204 4.082 4.082 4.179 -0.097 17780 8231 1 13 . 1 1 115 115 LYS CA C 204 59.268 59.268 59.352 -0.084 17780 8232 1 13 . 1 1 115 115 LYS CB C 204 31.979 31.979 32.730 -0.750 17780 8233 1 13 . 1 1 115 115 LYS H H 204 7.714 7.714 8.156 -0.442 17780 8234 1 13 . 1 1 116 116 MET N N 205 118.581 118.581 117.213 1.368 17780 8235 1 13 . 1 1 116 116 MET HA H 205 4.167 4.167 4.383 -0.216 17780 8236 1 13 . 1 1 116 116 MET CA C 205 59.984 59.984 58.979 1.005 17780 8237 1 13 . 1 1 116 116 MET CB C 205 32.933 32.933 32.911 0.022 17780 8238 1 13 . 1 1 116 116 MET H H 205 8.182 8.182 8.287 -0.105 17780 8239 1 13 . 1 1 117 117 MET N N 206 118.259 118.259 117.544 0.715 17780 8240 1 13 . 1 1 117 117 MET HA H 206 3.561 3.561 4.094 -0.533 17780 8241 1 13 . 1 1 117 117 MET CA C 206 59.967 59.967 58.427 1.540 17780 8242 1 13 . 1 1 117 117 MET CB C 206 33.824 33.824 31.692 2.132 17780 8243 1 13 . 1 1 117 117 MET H H 206 8.691 8.691 7.804 0.887 17780 8244 1 13 . 1 1 118 118 GLU N N 207 118.878 118.878 120.448 -1.570 17780 8245 1 13 . 1 1 118 118 GLU HA H 207 3.658 3.658 3.878 -0.220 17780 8246 1 13 . 1 1 118 118 GLU CA C 207 60.702 60.702 59.639 1.063 17780 8247 1 13 . 1 1 118 118 GLU CB C 207 29.000 29.000 29.305 -0.305 17780 8248 1 13 . 1 1 118 118 GLU H H 207 8.544 8.544 8.000 0.544 17780 8249 1 13 . 1 1 119 119 ARG N N 208 116.694 116.694 118.657 -1.963 17780 8250 1 13 . 1 1 119 119 ARG HA H 208 4.228 4.228 4.061 0.167 17780 8251 1 13 . 1 1 119 119 ARG CA C 208 58.554 58.554 58.887 -0.333 17780 8252 1 13 . 1 1 119 119 ARG CB C 208 30.136 30.136 29.795 0.341 17780 8253 1 13 . 1 1 119 119 ARG H H 208 7.289 7.289 7.659 -0.370 17780 8254 1 13 . 1 1 120 120 VAL N N 209 119.035 119.035 118.806 0.229 17780 8255 1 13 . 1 1 120 120 VAL HA H 209 3.837 3.837 3.744 0.093 17780 8256 1 13 . 1 1 120 120 VAL CA C 209 65.766 65.766 66.087 -0.321 17780 8257 1 13 . 1 1 120 120 VAL CB C 209 32.213 32.213 31.882 0.331 17780 8258 1 13 . 1 1 120 120 VAL H H 209 8.279 8.279 7.225 1.054 17780 8259 1 13 . 1 1 121 121 VAL N N 210 121.668 121.668 116.414 5.254 17780 8260 1 13 . 1 1 121 121 VAL HA H 210 3.597 3.597 3.711 -0.114 17780 8261 1 13 . 1 1 121 121 VAL CA C 210 66.639 66.639 66.001 0.638 17780 8262 1 13 . 1 1 121 121 VAL CB C 210 31.097 31.097 30.873 0.224 17780 8263 1 13 . 1 1 121 121 VAL H H 210 9.183 9.183 7.913 1.270 17780 8264 1 13 . 1 1 122 122 GLU N N 211 120.770 120.770 120.438 0.332 17780 8265 1 13 . 1 1 122 122 GLU HA H 211 3.603 3.603 3.836 -0.233 17780 8266 1 13 . 1 1 122 122 GLU CA C 211 61.132 61.132 60.157 0.975 17780 8267 1 13 . 1 1 122 122 GLU CB C 211 29.153 29.153 28.970 0.183 17780 8268 1 13 . 1 1 122 122 GLU H H 211 8.041 8.041 7.873 0.168 17780 8269 1 13 . 1 1 123 123 GLN N N 212 114.580 114.580 117.562 -2.982 17780 8270 1 13 . 1 1 123 123 GLN HA H 212 3.662 3.662 4.111 -0.449 17780 8271 1 13 . 1 1 123 123 GLN CA C 212 58.509 58.509 57.960 0.549 17780 8272 1 13 . 1 1 123 123 GLN CB C 212 27.824 27.824 27.983 -0.159 17780 8273 1 13 . 1 1 123 123 GLN H H 212 7.096 7.096 7.848 -0.752 17780 8274 1 13 . 1 1 124 124 MET N N 213 119.748 119.748 121.099 -1.351 17780 8275 1 13 . 1 1 124 124 MET HA H 213 4.167 4.167 4.195 -0.028 17780 8276 1 13 . 1 1 124 124 MET CA C 213 59.928 59.928 59.241 0.687 17780 8277 1 13 . 1 1 124 124 MET CB C 213 34.529 34.529 32.657 1.872 17780 8278 1 13 . 1 1 124 124 MET H H 213 8.145 8.145 7.767 0.378 17780 8279 1 13 . 1 1 125 125 CYS N N 214 119.538 119.538 119.178 0.360 17780 8280 1 13 . 1 1 125 125 CYS HA H 214 4.427 4.427 4.164 0.263 17780 8281 1 13 . 1 1 125 125 CYS CA C 214 59.838 59.838 62.217 -2.379 17780 8282 1 13 . 1 1 125 125 CYS CB C 214 41.798 41.798 25.602 16.196 17780 8283 1 13 . 1 1 125 125 CYS H H 214 9.275 9.275 8.291 0.984 17780 8284 1 13 . 1 1 126 126 ILE N N 215 123.982 123.982 121.034 2.948 17780 8285 1 13 . 1 1 126 126 ILE HA H 215 3.579 3.579 3.819 -0.240 17780 8286 1 13 . 1 1 126 126 ILE CA C 215 66.649 66.649 65.438 1.211 17780 8287 1 13 . 1 1 126 126 ILE CB C 215 38.152 38.152 37.857 0.295 17780 8288 1 13 . 1 1 126 126 ILE H H 215 8.434 8.434 7.926 0.508 17780 8289 1 13 . 1 1 127 127 THR N N 216 118.728 118.728 116.432 2.296 17780 8290 1 13 . 1 1 127 127 THR HA H 216 3.835 3.835 3.939 -0.104 17780 8291 1 13 . 1 1 127 127 THR CA C 216 67.425 67.425 67.062 0.363 17780 8292 1 13 . 1 1 127 127 THR CB C 216 68.035 68.035 68.196 -0.161 17780 8293 1 13 . 1 1 127 127 THR H H 216 8.097 8.097 8.103 -0.006 17780 8294 1 13 . 1 1 128 128 GLN N N 217 122.368 122.368 120.795 1.573 17780 8295 1 13 . 1 1 128 128 GLN HA H 217 3.662 3.662 4.144 -0.482 17780 8296 1 13 . 1 1 128 128 GLN CA C 217 58.462 58.462 58.587 -0.125 17780 8297 1 13 . 1 1 128 128 GLN CB C 217 28.075 28.075 28.257 -0.182 17780 8298 1 13 . 1 1 128 128 GLN H H 217 8.637 8.637 7.698 0.939 17780 8299 1 13 . 1 1 129 129 TYR N N 218 121.512 121.512 122.667 -1.155 17780 8300 1 13 . 1 1 129 129 TYR HA H 218 2.929 2.929 3.990 -1.061 17780 8301 1 13 . 1 1 129 129 TYR CA C 218 61.904 61.904 61.209 0.695 17780 8302 1 13 . 1 1 129 129 TYR CB C 218 37.075 37.075 38.367 -1.292 17780 8303 1 13 . 1 1 129 129 TYR H H 218 8.705 8.705 8.961 -0.256 17780 8304 1 13 . 1 1 130 130 LYS N N 219 120.801 120.801 117.769 3.032 17780 8305 1 13 . 1 1 130 130 LYS HA H 219 3.667 3.667 3.692 -0.025 17780 8306 1 13 . 1 1 130 130 LYS CA C 219 60.001 60.001 57.903 2.098 17780 8307 1 13 . 1 1 130 130 LYS CB C 219 31.732 31.732 31.578 0.154 17780 8308 1 13 . 1 1 130 130 LYS H H 219 8.232 8.232 8.463 -0.231 17780 8309 1 13 . 1 1 131 131 ARG HA H 220 3.978 3.978 3.974 0.004 17780 8310 1 13 . 1 1 131 131 ARG CA C 220 59.013 59.013 58.911 0.102 17780 8311 1 13 . 1 1 131 131 ARG CB C 220 30.028 30.028 29.929 0.099 17780 8312 1 13 . 1 1 132 132 GLU N N 221 119.690 119.690 117.975 1.715 17780 8313 1 13 . 1 1 132 132 GLU HA H 221 4.035 4.035 4.160 -0.125 17780 8314 1 13 . 1 1 132 132 GLU CA C 221 58.006 58.006 57.992 0.014 17780 8315 1 13 . 1 1 132 132 GLU CB C 221 29.270 29.270 28.837 0.433 17780 8316 1 13 . 1 1 132 132 GLU H H 221 8.521 8.521 8.223 0.298 17780 8317 1 13 . 1 1 133 133 SER N N 222 115.963 115.963 116.207 -0.244 17780 8318 1 13 . 1 1 133 133 SER HA H 222 3.884 3.884 3.879 0.005 17780 8319 1 13 . 1 1 133 133 SER CA C 222 61.500 61.500 61.614 -0.114 17780 8320 1 13 . 1 1 133 133 SER CB C 222 62.207 62.207 62.050 0.157 17780 8321 1 13 . 1 1 133 133 SER H H 222 8.543 8.543 8.237 0.306 17780 8322 1 13 . 1 1 134 134 GLN N N 223 120.695 120.695 120.319 0.376 17780 8323 1 13 . 1 1 134 134 GLN HA H 223 4.152 4.152 3.743 0.409 17780 8324 1 13 . 1 1 134 134 GLN CA C 223 58.646 58.646 58.323 0.323 17780 8325 1 13 . 1 1 134 134 GLN CB C 223 28.299 28.299 28.398 -0.098 17780 8326 1 13 . 1 1 134 134 GLN H H 223 7.486 7.486 7.487 -0.001 17780 8327 1 13 . 1 1 135 135 ALA N N 224 120.905 120.905 121.134 -0.229 17780 8328 1 13 . 1 1 135 135 ALA HA H 224 4.169 4.169 4.096 0.073 17780 8329 1 13 . 1 1 135 135 ALA CA C 224 54.404 54.404 54.406 -0.002 17780 8330 1 13 . 1 1 135 135 ALA CB C 224 18.233 18.233 18.162 0.071 17780 8331 1 13 . 1 1 135 135 ALA H H 224 7.497 7.497 7.316 0.181 17780 8332 1 13 . 1 1 136 136 TYR N N 225 119.969 119.969 121.200 -1.231 17780 8333 1 13 . 1 1 136 136 TYR HA H 225 4.080 4.080 4.070 0.010 17780 8334 1 13 . 1 1 136 136 TYR CA C 225 61.060 61.060 61.323 -0.263 17780 8335 1 13 . 1 1 136 136 TYR CB C 225 39.008 39.008 38.677 0.331 17780 8336 1 13 . 1 1 136 136 TYR H H 225 8.215 8.215 7.641 0.574 17780 8337 1 13 . 1 1 137 137 TYR N N 226 117.988 117.988 117.169 0.819 17780 8338 1 13 . 1 1 137 137 TYR HA H 226 4.319 4.319 4.072 0.247 17780 8339 1 13 . 1 1 137 137 TYR CA C 226 59.543 59.543 58.781 0.762 17780 8340 1 13 . 1 1 137 137 TYR CB C 226 37.769 37.769 36.676 1.093 17780 8341 1 13 . 1 1 137 137 TYR H H 226 8.022 8.022 8.488 -0.466 17780 8342 1 13 . 1 1 138 138 GLN N N 227 118.911 118.911 118.159 0.752 17780 8343 1 13 . 1 1 138 138 GLN HA H 227 4.189 4.189 4.111 0.078 17780 8344 1 13 . 1 1 138 138 GLN CA C 227 57.002 57.002 57.631 -0.629 17780 8345 1 13 . 1 1 138 138 GLN CB C 227 28.740 28.740 27.574 1.166 17780 8346 1 13 . 1 1 138 138 GLN H H 227 7.838 7.838 7.589 0.249 17780 8347 1 13 . 1 1 139 139 ARG N N 228 119.910 119.910 118.974 0.936 17780 8348 1 13 . 1 1 139 139 ARG HA H 228 4.207 4.207 4.158 0.049 17780 8349 1 13 . 1 1 139 139 ARG CA C 228 57.338 57.338 57.418 -0.080 17780 8350 1 13 . 1 1 139 139 ARG CB C 228 30.390 30.390 29.941 0.449 17780 8351 1 13 . 1 1 139 139 ARG H H 228 7.862 7.862 8.082 -0.220 17780 8352 1 13 . 1 1 140 140 GLY N N 229 108.627 108.627 104.477 4.150 17780 8353 1 13 . 1 1 140 140 GLY CA C 229 45.477 45.477 45.265 0.212 17780 8354 1 13 . 1 1 140 140 GLY H H 229 8.092 8.092 7.688 0.404 17780 8355 1 13 . 1 1 141 141 SER N N 230 115.141 115.141 114.170 0.971 17780 8356 1 13 . 1 1 141 141 SER HA H 230 4.330 4.330 4.772 -0.442 17780 8357 1 13 . 1 1 141 141 SER CA C 230 58.650 58.650 58.407 0.243 17780 8358 1 13 . 1 1 141 141 SER CB C 230 63.641 63.641 63.975 -0.334 17780 8359 1 13 . 1 1 141 141 SER H H 230 8.050 8.050 7.711 0.339 17780 8360 1 14 . 1 1 2 2 GLN N N 91 119.729 119.729 118.938 0.791 17780 8361 1 14 . 1 1 2 2 GLN HA H 91 4.407 4.407 5.145 -0.738 17780 8362 1 14 . 1 1 2 2 GLN CA C 91 55.969 55.969 56.029 -0.060 17780 8363 1 14 . 1 1 2 2 GLN CB C 91 29.576 29.576 31.050 -1.474 17780 8364 1 14 . 1 1 2 2 GLN H H 91 8.267 8.267 9.932 -1.665 17780 8365 1 14 . 1 1 3 3 GLY N N 92 110.081 110.081 108.694 1.387 17780 8366 1 14 . 1 1 3 3 GLY CA C 92 45.115 45.115 44.780 0.335 17780 8367 1 14 . 1 1 3 3 GLY H H 92 8.515 8.515 8.925 -0.410 17780 8368 1 14 . 1 1 4 4 GLY N N 93 108.748 108.748 107.561 1.187 17780 8369 1 14 . 1 1 4 4 GLY CA C 93 45.228 45.228 45.748 -0.520 17780 8370 1 14 . 1 1 4 4 GLY H H 93 8.331 8.331 8.884 -0.553 17780 8371 1 14 . 1 1 5 5 GLY N N 94 108.857 108.857 107.837 1.020 17780 8372 1 14 . 1 1 5 5 GLY CA C 94 45.172 45.172 44.571 0.601 17780 8373 1 14 . 1 1 5 5 GLY H H 94 8.362 8.362 8.279 0.083 17780 8374 1 14 . 1 1 6 6 THR N N 95 113.538 113.538 113.074 0.464 17780 8375 1 14 . 1 1 6 6 THR HA H 95 4.282 4.282 4.282 0.000 17780 8376 1 14 . 1 1 6 6 THR CA C 95 61.906 61.906 61.310 0.596 17780 8377 1 14 . 1 1 6 6 THR CB C 95 69.711 69.711 69.859 -0.148 17780 8378 1 14 . 1 1 6 6 THR H H 95 8.129 8.129 7.968 0.161 17780 8379 1 14 . 1 1 7 7 HIS N N 96 121.027 121.027 120.970 0.057 17780 8380 1 14 . 1 1 7 7 HIS HA H 96 4.713 4.713 4.856 -0.143 17780 8381 1 14 . 1 1 7 7 HIS CA C 96 55.169 55.169 55.401 -0.232 17780 8382 1 14 . 1 1 7 7 HIS CB C 96 29.575 29.575 30.039 -0.464 17780 8383 1 14 . 1 1 7 7 HIS H H 96 8.497 8.497 8.623 -0.126 17780 8384 1 14 . 1 1 8 8 SER N N 97 117.031 117.031 117.168 -0.137 17780 8385 1 14 . 1 1 8 8 SER HA H 97 4.405 4.405 4.432 -0.027 17780 8386 1 14 . 1 1 8 8 SER CA C 97 58.379 58.379 58.246 0.133 17780 8387 1 14 . 1 1 8 8 SER CB C 97 63.535 63.535 64.054 -0.519 17780 8388 1 14 . 1 1 8 8 SER H H 97 8.275 8.275 8.108 0.167 17780 8389 1 14 . 1 1 9 9 GLN N N 98 122.084 122.084 123.228 -1.144 17780 8390 1 14 . 1 1 9 9 GLN HA H 98 4.279 4.279 4.687 -0.408 17780 8391 1 14 . 1 1 9 9 GLN CA C 98 55.970 55.970 54.889 1.081 17780 8392 1 14 . 1 1 9 9 GLN CB C 98 29.157 29.157 30.568 -1.411 17780 8393 1 14 . 1 1 9 9 GLN H H 98 8.462 8.462 8.430 0.033 17780 8394 1 14 . 1 1 10 10 TRP N N 99 121.630 121.630 129.274 -7.644 17780 8395 1 14 . 1 1 10 10 TRP HA H 99 4.676 4.676 4.591 0.085 17780 8396 1 14 . 1 1 10 10 TRP CA C 99 57.046 57.046 57.693 -0.647 17780 8397 1 14 . 1 1 10 10 TRP CB C 99 29.440 29.440 30.219 -0.779 17780 8398 1 14 . 1 1 10 10 TRP H H 99 8.086 8.086 8.689 -0.603 17780 8399 1 14 . 1 1 11 11 ASN N N 100 120.591 120.591 122.745 -2.154 17780 8400 1 14 . 1 1 11 11 ASN HA H 100 4.602 4.602 4.118 0.484 17780 8401 1 14 . 1 1 11 11 ASN CA C 100 52.675 52.675 51.112 1.563 17780 8402 1 14 . 1 1 11 11 ASN CB C 100 38.781 38.781 40.096 -1.315 17780 8403 1 14 . 1 1 11 11 ASN H H 100 8.095 8.095 7.646 0.449 17780 8404 1 14 . 1 1 12 12 LYS N N 101 122.656 122.656 121.789 0.867 17780 8405 1 14 . 1 1 12 12 LYS HA H 101 4.435 4.435 4.260 0.175 17780 8406 1 14 . 1 1 12 12 LYS CA C 101 54.139 54.139 54.613 -0.474 17780 8407 1 14 . 1 1 12 12 LYS CB C 101 32.474 32.474 32.892 -0.418 17780 8408 1 14 . 1 1 12 12 LYS H H 101 7.985 7.985 7.990 -0.005 17780 8409 1 14 . 1 1 13 13 PRO HA H 102 4.425 4.425 4.496 -0.071 17780 8410 1 14 . 1 1 13 13 PRO CA C 102 63.065 63.065 64.146 -1.081 17780 8411 1 14 . 1 1 13 13 PRO CB C 102 32.056 32.056 32.160 -0.104 17780 8412 1 14 . 1 1 14 14 SER N N 103 116.881 116.881 113.445 3.436 17780 8413 1 14 . 1 1 14 14 SER HA H 103 4.430 4.430 4.819 -0.389 17780 8414 1 14 . 1 1 14 14 SER CA C 103 57.973 57.973 57.696 0.277 17780 8415 1 14 . 1 1 14 14 SER CB C 103 63.669 63.669 66.314 -2.645 17780 8416 1 14 . 1 1 14 14 SER H H 103 8.420 8.420 7.892 0.528 17780 8417 1 14 . 1 1 15 15 LYS N N 104 124.163 124.163 121.165 2.998 17780 8418 1 14 . 1 1 15 15 LYS HA H 104 4.620 4.620 4.803 -0.183 17780 8419 1 14 . 1 1 15 15 LYS CA C 104 54.160 54.160 54.044 0.116 17780 8420 1 14 . 1 1 15 15 LYS CB C 104 32.606 32.606 33.143 -0.537 17780 8421 1 14 . 1 1 15 15 LYS H H 104 8.321 8.321 8.596 -0.275 17780 8422 1 14 . 1 1 16 16 PRO HA H 105 4.412 4.412 4.539 -0.127 17780 8423 1 14 . 1 1 16 16 PRO CA C 105 63.012 63.012 63.157 -0.145 17780 8424 1 14 . 1 1 16 16 PRO CB C 105 32.152 32.152 32.317 -0.165 17780 8425 1 14 . 1 1 17 17 LYS N N 106 122.072 122.072 119.704 2.368 17780 8426 1 14 . 1 1 17 17 LYS HA H 106 4.338 4.338 4.639 -0.301 17780 8427 1 14 . 1 1 17 17 LYS CA C 106 56.299 56.299 55.578 0.721 17780 8428 1 14 . 1 1 17 17 LYS CB C 106 32.928 32.928 34.688 -1.760 17780 8429 1 14 . 1 1 17 17 LYS H H 106 8.516 8.516 8.201 0.315 17780 8430 1 14 . 1 1 18 18 THR N N 107 115.252 115.252 110.618 4.634 17780 8431 1 14 . 1 1 18 18 THR HA H 107 4.323 4.323 4.336 -0.013 17780 8432 1 14 . 1 1 18 18 THR CA C 107 61.523 61.523 61.748 -0.225 17780 8433 1 14 . 1 1 18 18 THR CB C 107 69.778 69.778 69.136 0.642 17780 8434 1 14 . 1 1 18 18 THR H H 107 8.133 8.133 8.230 -0.097 17780 8435 1 14 . 1 1 19 19 ASN N N 108 121.344 121.344 120.617 0.727 17780 8436 1 14 . 1 1 19 19 ASN HA H 108 4.712 4.712 4.684 0.028 17780 8437 1 14 . 1 1 19 19 ASN CA C 108 53.019 53.019 52.995 0.024 17780 8438 1 14 . 1 1 19 19 ASN CB C 108 38.728 38.728 36.252 2.476 17780 8439 1 14 . 1 1 19 19 ASN H H 108 8.537 8.537 8.718 -0.181 17780 8440 1 14 . 1 1 20 20 MET N N 109 121.309 121.309 111.394 9.915 17780 8441 1 14 . 1 1 20 20 MET HA H 109 4.437 4.437 4.612 -0.175 17780 8442 1 14 . 1 1 20 20 MET CA C 109 55.446 55.446 54.905 0.541 17780 8443 1 14 . 1 1 20 20 MET CB C 109 32.809 32.809 33.596 -0.787 17780 8444 1 14 . 1 1 20 20 MET H H 109 8.346 8.346 7.304 1.042 17780 8445 1 14 . 1 1 21 21 LYS N N 110 122.292 122.292 122.694 -0.402 17780 8446 1 14 . 1 1 21 21 LYS HA H 110 4.237 4.237 4.219 0.018 17780 8447 1 14 . 1 1 21 21 LYS CA C 110 56.394 56.394 55.997 0.397 17780 8448 1 14 . 1 1 21 21 LYS CB C 110 32.923 32.923 31.022 1.901 17780 8449 1 14 . 1 1 21 21 LYS H H 110 8.300 8.300 8.000 0.300 17780 8450 1 14 . 1 1 22 22 HIS N N 111 120.193 120.193 119.233 0.960 17780 8451 1 14 . 1 1 22 22 HIS HA H 111 4.642 4.642 4.711 -0.069 17780 8452 1 14 . 1 1 22 22 HIS CA C 111 55.391 55.391 54.741 0.650 17780 8453 1 14 . 1 1 22 22 HIS CB C 111 29.501 29.501 29.725 -0.224 17780 8454 1 14 . 1 1 22 22 HIS H H 111 8.406 8.406 7.812 0.594 17780 8455 1 14 . 1 1 23 23 MET N N 112 122.529 122.529 121.942 0.587 17780 8456 1 14 . 1 1 23 23 MET HA H 112 4.464 4.464 4.572 -0.108 17780 8457 1 14 . 1 1 23 23 MET CA C 112 55.125 55.125 55.930 -0.805 17780 8458 1 14 . 1 1 23 23 MET CB C 112 32.930 32.930 32.259 0.671 17780 8459 1 14 . 1 1 23 23 MET H H 112 8.326 8.326 8.245 0.081 17780 8460 1 14 . 1 1 24 24 ALA N N 113 125.642 125.642 127.103 -1.461 17780 8461 1 14 . 1 1 24 24 ALA HA H 113 4.315 4.315 4.564 -0.249 17780 8462 1 14 . 1 1 24 24 ALA CA C 113 52.521 52.521 52.003 0.518 17780 8463 1 14 . 1 1 24 24 ALA CB C 113 19.181 19.181 20.063 -0.882 17780 8464 1 14 . 1 1 24 24 ALA H H 113 8.370 8.370 8.623 -0.253 17780 8465 1 14 . 1 1 25 25 GLY N N 114 108.473 108.473 107.528 0.945 17780 8466 1 14 . 1 1 25 25 GLY CA C 114 45.175 45.175 44.696 0.479 17780 8467 1 14 . 1 1 25 25 GLY H H 114 8.373 8.373 8.152 0.221 17780 8468 1 14 . 1 1 26 26 ALA N N 115 123.872 123.872 124.131 -0.259 17780 8469 1 14 . 1 1 26 26 ALA HA H 115 4.316 4.316 4.021 0.295 17780 8470 1 14 . 1 1 26 26 ALA CA C 115 52.496 52.496 52.550 -0.054 17780 8471 1 14 . 1 1 26 26 ALA CB C 115 19.181 19.181 19.126 0.055 17780 8472 1 14 . 1 1 26 26 ALA H H 115 8.134 8.134 8.119 0.015 17780 8473 1 14 . 1 1 27 27 ALA N N 116 123.172 123.172 119.964 3.208 17780 8474 1 14 . 1 1 27 27 ALA HA H 116 4.287 4.287 4.097 0.190 17780 8475 1 14 . 1 1 27 27 ALA CA C 116 52.464 52.464 52.150 0.314 17780 8476 1 14 . 1 1 27 27 ALA CB C 116 19.180 19.180 17.830 1.350 17780 8477 1 14 . 1 1 27 27 ALA H H 116 8.268 8.268 8.116 0.152 17780 8478 1 14 . 1 1 28 28 ALA N N 117 123.253 123.253 122.097 1.156 17780 8479 1 14 . 1 1 28 28 ALA HA H 117 4.277 4.277 4.285 -0.008 17780 8480 1 14 . 1 1 28 28 ALA CA C 117 52.383 52.383 52.221 0.162 17780 8481 1 14 . 1 1 28 28 ALA CB C 117 19.156 19.156 17.628 1.528 17780 8482 1 14 . 1 1 28 28 ALA H H 117 8.169 8.169 8.342 -0.173 17780 8483 1 14 . 1 1 29 29 ALA N N 118 123.225 123.225 125.309 -2.084 17780 8484 1 14 . 1 1 29 29 ALA HA H 118 4.282 4.282 4.497 -0.215 17780 8485 1 14 . 1 1 29 29 ALA CA C 118 52.469 52.469 51.850 0.619 17780 8486 1 14 . 1 1 29 29 ALA CB C 118 19.129 19.129 20.546 -1.417 17780 8487 1 14 . 1 1 29 29 ALA H H 118 8.204 8.204 7.775 0.429 17780 8488 1 14 . 1 1 30 30 GLY N N 119 107.906 107.906 107.550 0.356 17780 8489 1 14 . 1 1 30 30 GLY CA C 119 45.089 45.089 44.912 0.177 17780 8490 1 14 . 1 1 30 30 GLY H H 119 8.271 8.271 8.436 -0.165 17780 8491 1 14 . 1 1 31 31 ALA N N 120 123.540 123.540 125.896 -2.356 17780 8492 1 14 . 1 1 31 31 ALA HA H 120 4.339 4.339 4.427 -0.088 17780 8493 1 14 . 1 1 31 31 ALA CA C 120 52.282 52.282 52.593 -0.311 17780 8494 1 14 . 1 1 31 31 ALA CB C 120 19.432 19.432 19.170 0.262 17780 8495 1 14 . 1 1 31 31 ALA H H 120 8.039 8.039 7.914 0.125 17780 8496 1 14 . 1 1 32 32 VAL N N 121 119.579 119.579 115.505 4.074 17780 8497 1 14 . 1 1 32 32 VAL HA H 121 4.117 4.117 3.772 0.345 17780 8498 1 14 . 1 1 32 32 VAL CA C 121 62.142 62.142 63.440 -1.298 17780 8499 1 14 . 1 1 32 32 VAL CB C 121 32.673 32.673 29.676 2.997 17780 8500 1 14 . 1 1 32 32 VAL H H 121 8.109 8.109 8.837 -0.728 17780 8501 1 14 . 1 1 33 33 VAL N N 122 124.655 124.655 121.698 2.957 17780 8502 1 14 . 1 1 33 33 VAL HA H 122 4.081 4.081 3.994 0.087 17780 8503 1 14 . 1 1 33 33 VAL CA C 122 62.430 62.430 63.693 -1.263 17780 8504 1 14 . 1 1 33 33 VAL CB C 122 32.675 32.675 31.073 1.602 17780 8505 1 14 . 1 1 33 33 VAL H H 122 8.262 8.262 7.415 0.847 17780 8506 1 14 . 1 1 34 34 GLY N N 123 113.165 113.165 108.207 4.958 17780 8507 1 14 . 1 1 34 34 GLY CA C 123 45.264 45.264 44.895 0.369 17780 8508 1 14 . 1 1 34 34 GLY H H 123 8.528 8.528 8.325 0.203 17780 8509 1 14 . 1 1 35 35 GLY N N 124 108.440 108.440 108.830 -0.390 17780 8510 1 14 . 1 1 35 35 GLY CA C 124 45.264 45.264 46.005 -0.741 17780 8511 1 14 . 1 1 35 35 GLY H H 124 8.245 8.245 7.945 0.300 17780 8512 1 14 . 1 1 36 36 LEU N N 125 121.679 121.679 120.559 1.120 17780 8513 1 14 . 1 1 36 36 LEU HA H 125 4.340 4.340 4.346 -0.006 17780 8514 1 14 . 1 1 36 36 LEU CA C 125 54.808 54.808 55.774 -0.966 17780 8515 1 14 . 1 1 36 36 LEU CB C 125 42.417 42.417 42.932 -0.515 17780 8516 1 14 . 1 1 36 36 LEU H H 125 8.233 8.233 7.561 0.672 17780 8517 1 14 . 1 1 37 37 GLY N N 126 109.818 109.818 107.364 2.454 17780 8518 1 14 . 1 1 37 37 GLY CA C 126 46.266 46.266 45.459 0.806 17780 8519 1 14 . 1 1 37 37 GLY H H 126 8.511 8.511 8.208 0.303 17780 8520 1 14 . 1 1 38 38 GLY N N 127 109.485 109.485 109.906 -0.421 17780 8521 1 14 . 1 1 38 38 GLY CA C 127 45.029 45.029 45.477 -0.449 17780 8522 1 14 . 1 1 38 38 GLY H H 127 8.374 8.374 7.909 0.465 17780 8523 1 14 . 1 1 39 39 TYR N N 128 117.683 117.683 121.150 -3.467 17780 8524 1 14 . 1 1 39 39 TYR HA H 128 4.501 4.501 4.736 -0.235 17780 8525 1 14 . 1 1 39 39 TYR CA C 128 58.050 58.050 56.627 1.423 17780 8526 1 14 . 1 1 39 39 TYR CB C 128 40.362 40.362 41.005 -0.644 17780 8527 1 14 . 1 1 39 39 TYR H H 128 7.746 7.746 8.179 -0.433 17780 8528 1 14 . 1 1 40 40 MET N N 129 120.902 120.902 117.565 3.337 17780 8529 1 14 . 1 1 40 40 MET HA H 129 4.534 4.534 4.809 -0.275 17780 8530 1 14 . 1 1 40 40 MET CA C 129 53.516 53.516 53.718 -0.202 17780 8531 1 14 . 1 1 40 40 MET CB C 129 34.851 34.851 36.957 -2.106 17780 8532 1 14 . 1 1 40 40 MET H H 129 9.005 9.005 8.688 0.317 17780 8533 1 14 . 1 1 41 41 LEU N N 130 121.514 121.514 117.397 4.117 17780 8534 1 14 . 1 1 41 41 LEU HA H 130 4.464 4.464 5.112 -0.648 17780 8535 1 14 . 1 1 41 41 LEU CA C 130 53.359 53.359 53.024 0.335 17780 8536 1 14 . 1 1 41 41 LEU CB C 130 43.482 43.482 45.913 -2.431 17780 8537 1 14 . 1 1 41 41 LEU H H 130 8.034 8.034 8.138 -0.104 17780 8538 1 14 . 1 1 42 42 GLY N N 131 114.895 114.895 109.123 5.772 17780 8539 1 14 . 1 1 42 42 GLY CA C 131 44.698 44.698 44.927 -0.229 17780 8540 1 14 . 1 1 42 42 GLY H H 131 9.375 9.375 8.508 0.867 17780 8541 1 14 . 1 1 43 43 SER N N 132 113.692 113.692 117.954 -4.262 17780 8542 1 14 . 1 1 43 43 SER HA H 132 4.429 4.429 4.358 0.071 17780 8543 1 14 . 1 1 43 43 SER CA C 132 58.191 58.191 59.077 -0.886 17780 8544 1 14 . 1 1 43 43 SER CB C 132 63.938 63.938 63.600 0.338 17780 8545 1 14 . 1 1 43 43 SER H H 132 8.345 8.345 8.545 -0.200 17780 8546 1 14 . 1 1 44 44 ALA N N 133 125.505 125.505 122.111 3.394 17780 8547 1 14 . 1 1 44 44 ALA HA H 133 4.437 4.437 4.648 -0.211 17780 8548 1 14 . 1 1 44 44 ALA CA C 133 52.936 52.936 52.026 0.910 17780 8549 1 14 . 1 1 44 44 ALA CB C 133 18.412 18.412 20.939 -2.527 17780 8550 1 14 . 1 1 44 44 ALA H H 133 8.735 8.735 7.882 0.853 17780 8551 1 14 . 1 1 45 45 MET N N 134 120.707 120.707 120.468 0.239 17780 8552 1 14 . 1 1 45 45 MET HA H 134 4.756 4.756 5.027 -0.271 17780 8553 1 14 . 1 1 45 45 MET CA C 134 54.242 54.242 54.393 -0.151 17780 8554 1 14 . 1 1 45 45 MET CB C 134 36.727 36.727 35.668 1.059 17780 8555 1 14 . 1 1 45 45 MET H H 134 8.686 8.686 8.632 0.054 17780 8556 1 14 . 1 1 46 46 SER N N 135 116.235 116.235 117.503 -1.268 17780 8557 1 14 . 1 1 46 46 SER HA H 135 4.375 4.375 4.528 -0.153 17780 8558 1 14 . 1 1 46 46 SER CA C 135 58.410 58.410 58.548 -0.138 17780 8559 1 14 . 1 1 46 46 SER CB C 135 63.016 63.016 63.528 -0.512 17780 8560 1 14 . 1 1 46 46 SER H H 135 8.397 8.397 8.377 0.020 17780 8561 1 14 . 1 1 47 47 ARG N N 136 126.632 126.632 122.035 4.597 17780 8562 1 14 . 1 1 47 47 ARG HA H 136 4.406 4.406 4.740 -0.334 17780 8563 1 14 . 1 1 47 47 ARG CA C 136 54.783 54.783 53.040 1.743 17780 8564 1 14 . 1 1 47 47 ARG CB C 136 29.040 29.040 29.127 -0.087 17780 8565 1 14 . 1 1 47 47 ARG H H 136 8.668 8.668 8.699 -0.031 17780 8566 1 14 . 1 1 48 48 PRO HA H 137 4.422 4.422 4.669 -0.247 17780 8567 1 14 . 1 1 48 48 PRO CA C 137 62.327 62.327 62.508 -0.181 17780 8568 1 14 . 1 1 48 48 PRO CB C 137 32.269 32.269 32.740 -0.471 17780 8569 1 14 . 1 1 49 49 ILE N N 138 122.521 122.521 120.417 2.104 17780 8570 1 14 . 1 1 49 49 ILE HA H 138 4.148 4.148 4.195 -0.047 17780 8571 1 14 . 1 1 49 49 ILE CA C 138 60.916 60.916 60.703 0.213 17780 8572 1 14 . 1 1 49 49 ILE CB C 138 36.234 36.234 39.107 -2.873 17780 8573 1 14 . 1 1 49 49 ILE H H 138 8.603 8.603 8.125 0.478 17780 8574 1 14 . 1 1 50 50 ILE N N 139 126.683 126.683 125.683 1.000 17780 8575 1 14 . 1 1 50 50 ILE HA H 139 3.927 3.927 3.825 0.102 17780 8576 1 14 . 1 1 50 50 ILE CA C 139 58.700 58.700 58.701 -0.001 17780 8577 1 14 . 1 1 50 50 ILE CB C 139 39.345 39.345 40.948 -1.603 17780 8578 1 14 . 1 1 50 50 ILE H H 139 6.514 6.514 8.067 -1.553 17780 8579 1 14 . 1 1 51 51 HIS N N 140 121.997 121.997 121.733 0.264 17780 8580 1 14 . 1 1 51 51 HIS HA H 140 4.918 4.918 4.429 0.489 17780 8581 1 14 . 1 1 51 51 HIS CA C 140 54.065 54.065 55.623 -1.558 17780 8582 1 14 . 1 1 51 51 HIS CB C 140 29.466 29.466 28.360 1.106 17780 8583 1 14 . 1 1 51 51 HIS H H 140 8.203 8.203 7.476 0.727 17780 8584 1 14 . 1 1 52 52 PHE N N 141 124.334 124.334 122.944 1.390 17780 8585 1 14 . 1 1 52 52 PHE HA H 141 4.348 4.348 4.598 -0.250 17780 8586 1 14 . 1 1 52 52 PHE CA C 141 59.251 59.251 58.244 1.007 17780 8587 1 14 . 1 1 52 52 PHE CB C 141 41.448 41.448 40.056 1.392 17780 8588 1 14 . 1 1 52 52 PHE H H 141 10.160 10.160 8.052 2.108 17780 8589 1 14 . 1 1 53 53 GLY N N 142 108.368 108.368 107.258 1.110 17780 8590 1 14 . 1 1 53 53 GLY CA C 142 45.516 45.516 44.965 0.551 17780 8591 1 14 . 1 1 53 53 GLY H H 142 8.984 8.984 8.106 0.878 17780 8592 1 14 . 1 1 54 54 SER N N 143 111.819 111.819 115.271 -3.452 17780 8593 1 14 . 1 1 54 54 SER HA H 143 4.810 4.810 4.623 0.187 17780 8594 1 14 . 1 1 54 54 SER CA C 143 56.498 56.498 56.585 -0.087 17780 8595 1 14 . 1 1 54 54 SER CB C 143 65.964 65.964 65.338 0.626 17780 8596 1 14 . 1 1 54 54 SER H H 143 7.334 7.334 7.721 -0.387 17780 8597 1 14 . 1 1 55 55 ASP N N 144 124.249 124.249 122.235 2.014 17780 8598 1 14 . 1 1 55 55 ASP HA H 144 4.500 4.500 4.447 0.053 17780 8599 1 14 . 1 1 55 55 ASP CA C 144 57.493 57.493 57.727 -0.235 17780 8600 1 14 . 1 1 55 55 ASP CB C 144 40.664 40.664 40.760 -0.096 17780 8601 1 14 . 1 1 55 55 ASP H H 144 9.014 9.014 8.753 0.261 17780 8602 1 14 . 1 1 56 56 TYR N N 145 118.991 118.991 115.102 3.889 17780 8603 1 14 . 1 1 56 56 TYR HA H 145 4.196 4.196 4.383 -0.187 17780 8604 1 14 . 1 1 56 56 TYR CA C 145 61.351 61.351 59.246 2.105 17780 8605 1 14 . 1 1 56 56 TYR CB C 145 38.075 38.075 36.875 1.200 17780 8606 1 14 . 1 1 56 56 TYR H H 145 8.551 8.551 7.728 0.823 17780 8607 1 14 . 1 1 57 57 GLU N N 146 119.217 119.217 119.941 -0.724 17780 8608 1 14 . 1 1 57 57 GLU HA H 146 3.563 3.563 4.484 -0.921 17780 8609 1 14 . 1 1 57 57 GLU CA C 146 59.921 59.921 58.831 1.090 17780 8610 1 14 . 1 1 57 57 GLU CB C 146 30.297 30.297 29.609 0.688 17780 8611 1 14 . 1 1 57 57 GLU H H 146 7.741 7.741 7.759 -0.018 17780 8612 1 14 . 1 1 58 58 ASP N N 147 119.565 119.565 120.690 -1.125 17780 8613 1 14 . 1 1 58 58 ASP HA H 147 4.498 4.498 4.633 -0.135 17780 8614 1 14 . 1 1 58 58 ASP CA C 147 58.185 58.185 57.472 0.713 17780 8615 1 14 . 1 1 58 58 ASP CB C 147 40.598 40.598 41.058 -0.460 17780 8616 1 14 . 1 1 58 58 ASP H H 147 8.139 8.139 8.097 0.042 17780 8617 1 14 . 1 1 59 59 ARG N N 148 120.296 120.296 118.195 2.101 17780 8618 1 14 . 1 1 59 59 ARG HA H 148 4.004 4.004 4.119 -0.115 17780 8619 1 14 . 1 1 59 59 ARG CA C 148 59.393 59.393 58.648 0.745 17780 8620 1 14 . 1 1 59 59 ARG CB C 148 29.910 29.910 29.858 0.052 17780 8621 1 14 . 1 1 59 59 ARG H H 148 8.181 8.181 7.849 0.332 17780 8622 1 14 . 1 1 60 60 TYR N N 149 121.152 121.152 121.318 -0.166 17780 8623 1 14 . 1 1 60 60 TYR HA H 149 3.819 3.819 4.242 -0.423 17780 8624 1 14 . 1 1 60 60 TYR CA C 149 62.195 62.195 59.870 2.325 17780 8625 1 14 . 1 1 60 60 TYR CB C 149 37.808 37.808 38.346 -0.538 17780 8626 1 14 . 1 1 60 60 TYR H H 149 8.333 8.333 7.532 0.801 17780 8627 1 14 . 1 1 61 61 TYR N N 150 120.365 120.365 121.148 -0.783 17780 8628 1 14 . 1 1 61 61 TYR HA H 150 4.122 4.122 3.527 0.595 17780 8629 1 14 . 1 1 61 61 TYR CA C 150 62.969 62.969 60.591 2.378 17780 8630 1 14 . 1 1 61 61 TYR CB C 150 38.207 38.207 37.949 0.258 17780 8631 1 14 . 1 1 61 61 TYR H H 150 8.942 8.942 8.078 0.864 17780 8632 1 14 . 1 1 62 62 ARG N N 151 117.982 117.982 116.258 1.724 17780 8633 1 14 . 1 1 62 62 ARG HA H 151 3.938 3.938 3.502 0.436 17780 8634 1 14 . 1 1 62 62 ARG CA C 151 59.940 59.940 58.271 1.669 17780 8635 1 14 . 1 1 62 62 ARG CB C 151 29.731 29.731 29.645 0.086 17780 8636 1 14 . 1 1 62 62 ARG H H 151 7.938 7.938 7.405 0.533 17780 8637 1 14 . 1 1 63 63 GLU N N 152 116.389 116.389 118.535 -2.146 17780 8638 1 14 . 1 1 63 63 GLU HA H 152 4.059 4.059 4.002 0.057 17780 8639 1 14 . 1 1 63 63 GLU CA C 152 57.990 57.990 58.806 -0.816 17780 8640 1 14 . 1 1 63 63 GLU CB C 152 29.915 29.915 29.501 0.414 17780 8641 1 14 . 1 1 63 63 GLU H H 152 8.068 8.068 7.673 0.395 17780 8642 1 14 . 1 1 64 64 ASN N N 153 114.690 114.690 114.709 -0.019 17780 8643 1 14 . 1 1 64 64 ASN HA H 153 4.406 4.406 4.506 -0.100 17780 8644 1 14 . 1 1 64 64 ASN CA C 153 54.814 54.814 53.241 1.573 17780 8645 1 14 . 1 1 64 64 ASN CB C 153 41.178 41.178 38.068 3.110 17780 8646 1 14 . 1 1 64 64 ASN H H 153 7.525 7.525 7.730 -0.205 17780 8647 1 14 . 1 1 65 65 MET N N 154 119.058 119.058 121.420 -2.362 17780 8648 1 14 . 1 1 65 65 MET HA H 154 3.417 3.417 3.699 -0.282 17780 8649 1 14 . 1 1 65 65 MET CA C 154 59.193 59.193 59.065 0.128 17780 8650 1 14 . 1 1 65 65 MET CB C 154 30.258 30.258 32.151 -1.893 17780 8651 1 14 . 1 1 65 65 MET H H 154 7.993 7.993 6.822 1.171 17780 8652 1 14 . 1 1 66 66 HIS N N 155 116.083 116.083 115.552 0.531 17780 8653 1 14 . 1 1 66 66 HIS HA H 155 4.208 4.208 4.330 -0.122 17780 8654 1 14 . 1 1 66 66 HIS CA C 155 57.382 57.382 58.023 -0.641 17780 8655 1 14 . 1 1 66 66 HIS CB C 155 28.955 28.955 29.591 -0.636 17780 8656 1 14 . 1 1 66 66 HIS H H 155 7.988 7.988 8.216 -0.228 17780 8657 1 14 . 1 1 67 67 ARG N N 156 118.993 118.993 117.206 1.787 17780 8658 1 14 . 1 1 67 67 ARG HA H 156 4.133 4.133 4.298 -0.165 17780 8659 1 14 . 1 1 67 67 ARG CA C 156 56.135 56.135 56.524 -0.389 17780 8660 1 14 . 1 1 67 67 ARG CB C 156 30.521 30.521 30.685 -0.164 17780 8661 1 14 . 1 1 67 67 ARG H H 156 7.488 7.488 7.337 0.151 17780 8662 1 14 . 1 1 68 68 TYR N N 157 121.321 121.321 117.880 3.441 17780 8663 1 14 . 1 1 68 68 TYR HA H 157 4.991 4.991 4.640 0.351 17780 8664 1 14 . 1 1 68 68 TYR CA C 157 52.644 52.644 53.670 -1.026 17780 8665 1 14 . 1 1 68 68 TYR CB C 157 34.873 34.873 38.153 -3.280 17780 8666 1 14 . 1 1 68 68 TYR H H 157 7.433 7.433 7.130 0.303 17780 8667 1 14 . 1 1 69 69 PRO HA H 158 4.338 4.338 4.394 -0.056 17780 8668 1 14 . 1 1 69 69 PRO CA C 158 63.651 63.651 62.386 1.265 17780 8669 1 14 . 1 1 69 69 PRO CB C 158 32.005 32.005 33.180 -1.175 17780 8670 1 14 . 1 1 70 70 ASN N N 159 116.696 116.696 117.614 -0.918 17780 8671 1 14 . 1 1 70 70 ASN HA H 159 4.690 4.690 4.630 0.060 17780 8672 1 14 . 1 1 70 70 ASN CA C 159 51.997 51.997 53.412 -1.415 17780 8673 1 14 . 1 1 70 70 ASN CB C 159 38.375 38.375 39.215 -0.840 17780 8674 1 14 . 1 1 70 70 ASN H H 159 8.673 8.673 8.599 0.074 17780 8675 1 14 . 1 1 71 71 GLN N N 160 114.313 114.313 117.359 -3.046 17780 8676 1 14 . 1 1 71 71 GLN HA H 160 4.523 4.523 4.658 -0.135 17780 8677 1 14 . 1 1 71 71 GLN CA C 160 54.286 54.286 54.453 -0.167 17780 8678 1 14 . 1 1 71 71 GLN CB C 160 32.975 32.975 32.614 0.361 17780 8679 1 14 . 1 1 71 71 GLN H H 160 7.319 7.319 7.694 -0.375 17780 8680 1 14 . 1 1 72 72 VAL N N 161 112.569 112.569 115.303 -2.734 17780 8681 1 14 . 1 1 72 72 VAL HA H 161 4.927 4.927 4.511 0.416 17780 8682 1 14 . 1 1 72 72 VAL CA C 161 58.651 58.651 60.272 -1.621 17780 8683 1 14 . 1 1 72 72 VAL CB C 161 33.812 33.812 34.447 -0.635 17780 8684 1 14 . 1 1 72 72 VAL H H 161 8.477 8.477 8.191 0.286 17780 8685 1 14 . 1 1 73 73 TYR N N 162 121.525 121.525 124.375 -2.850 17780 8686 1 14 . 1 1 73 73 TYR HA H 162 5.507 5.507 5.344 0.163 17780 8687 1 14 . 1 1 73 73 TYR CA C 162 57.133 57.133 55.926 1.207 17780 8688 1 14 . 1 1 73 73 TYR CB C 162 41.970 41.970 41.845 0.125 17780 8689 1 14 . 1 1 73 73 TYR H H 162 8.490 8.490 8.504 -0.014 17780 8690 1 14 . 1 1 74 74 TYR N N 163 111.081 111.081 119.154 -8.073 17780 8691 1 14 . 1 1 74 74 TYR HA H 163 4.758 4.758 5.128 -0.370 17780 8692 1 14 . 1 1 74 74 TYR CA C 163 55.367 55.367 56.694 -1.327 17780 8693 1 14 . 1 1 74 74 TYR CB C 163 40.401 40.401 40.063 0.338 17780 8694 1 14 . 1 1 74 74 TYR H H 163 8.593 8.593 8.521 0.072 17780 8695 1 14 . 1 1 76 76 PRO HA H 165 4.490 4.490 4.426 0.064 17780 8696 1 14 . 1 1 76 76 PRO CA C 165 62.967 62.967 63.580 -0.613 17780 8697 1 14 . 1 1 76 76 PRO CB C 165 32.372 32.372 32.399 -0.027 17780 8698 1 14 . 1 1 77 77 MET N N 166 121.408 121.408 117.951 3.457 17780 8699 1 14 . 1 1 77 77 MET HA H 166 4.438 4.438 3.904 0.534 17780 8700 1 14 . 1 1 77 77 MET CA C 166 57.081 57.081 55.491 1.590 17780 8701 1 14 . 1 1 77 77 MET CB C 166 32.165 32.165 31.167 0.998 17780 8702 1 14 . 1 1 77 77 MET H H 166 9.013 9.013 8.769 0.244 17780 8703 1 14 . 1 1 78 78 ASP N N 167 119.933 119.933 119.820 0.113 17780 8704 1 14 . 1 1 78 78 ASP HA H 167 4.754 4.754 4.451 0.303 17780 8705 1 14 . 1 1 78 78 ASP CA C 167 52.485 52.485 56.005 -3.520 17780 8706 1 14 . 1 1 78 78 ASP CB C 167 38.802 38.802 41.199 -2.397 17780 8707 1 14 . 1 1 78 78 ASP H H 167 8.176 8.176 8.500 -0.324 17780 8708 1 14 . 1 1 79 79 GLU N N 168 116.934 116.934 114.958 1.976 17780 8709 1 14 . 1 1 79 79 GLU HA H 168 4.308 4.308 4.120 0.188 17780 8710 1 14 . 1 1 79 79 GLU CA C 168 58.638 58.638 56.040 2.598 17780 8711 1 14 . 1 1 79 79 GLU CB C 168 29.185 29.185 31.301 -2.116 17780 8712 1 14 . 1 1 79 79 GLU H H 168 8.332 8.332 7.759 0.573 17780 8713 1 14 . 1 1 81 81 SER N N 170 116.603 116.603 117.220 -0.617 17780 8714 1 14 . 1 1 81 81 SER HA H 170 4.374 4.374 4.461 -0.087 17780 8715 1 14 . 1 1 81 81 SER CA C 170 58.475 58.475 57.290 1.185 17780 8716 1 14 . 1 1 81 81 SER CB C 170 63.677 63.677 63.581 0.096 17780 8717 1 14 . 1 1 81 81 SER H H 170 8.560 8.560 7.968 0.592 17780 8718 1 14 . 1 1 83 83 GLN N N 172 120.404 120.404 118.011 2.393 17780 8719 1 14 . 1 1 83 83 GLN HA H 172 4.750 4.750 4.613 0.137 17780 8720 1 14 . 1 1 83 83 GLN CA C 172 59.899 59.899 54.877 5.022 17780 8721 1 14 . 1 1 83 83 GLN CB C 172 29.023 29.023 32.086 -3.063 17780 8722 1 14 . 1 1 83 83 GLN H H 172 8.635 8.635 7.631 1.004 17780 8723 1 14 . 1 1 84 84 ASN N N 173 116.470 116.470 121.832 -5.362 17780 8724 1 14 . 1 1 84 84 ASN HA H 173 4.237 4.237 4.305 -0.068 17780 8725 1 14 . 1 1 84 84 ASN CA C 173 56.470 56.470 55.727 0.743 17780 8726 1 14 . 1 1 84 84 ASN CB C 173 37.812 37.812 38.613 -0.801 17780 8727 1 14 . 1 1 84 84 ASN H H 173 8.352 8.352 8.921 -0.569 17780 8728 1 14 . 1 1 85 85 ASN N N 174 118.500 118.500 119.344 -0.844 17780 8729 1 14 . 1 1 85 85 ASN HA H 174 4.534 4.534 4.202 0.332 17780 8730 1 14 . 1 1 85 85 ASN CA C 174 55.905 55.905 55.045 0.860 17780 8731 1 14 . 1 1 85 85 ASN CB C 174 37.760 37.760 37.991 -0.231 17780 8732 1 14 . 1 1 85 85 ASN H H 174 8.602 8.602 8.358 0.244 17780 8733 1 14 . 1 1 86 86 PHE CB C 175 39.641 39.641 37.872 1.769 17780 8734 1 14 . 1 1 87 87 VAL N N 176 120.134 120.134 120.681 -0.547 17780 8735 1 14 . 1 1 87 87 VAL HA H 176 3.564 3.564 2.605 0.959 17780 8736 1 14 . 1 1 87 87 VAL CA C 176 67.737 67.737 65.474 2.263 17780 8737 1 14 . 1 1 87 87 VAL CB C 176 31.951 31.951 30.702 1.249 17780 8738 1 14 . 1 1 87 87 VAL H H 176 9.002 9.002 7.208 1.794 17780 8739 1 14 . 1 1 88 88 HIS N N 177 117.217 117.217 118.625 -1.408 17780 8740 1 14 . 1 1 88 88 HIS HA H 177 4.304 4.304 4.090 0.214 17780 8741 1 14 . 1 1 88 88 HIS CA C 177 59.781 59.781 58.813 0.968 17780 8742 1 14 . 1 1 88 88 HIS CB C 177 28.264 28.264 29.707 -1.443 17780 8743 1 14 . 1 1 88 88 HIS H H 177 8.330 8.330 7.680 0.650 17780 8744 1 14 . 1 1 89 89 ASP N N 178 118.497 118.497 118.845 -0.348 17780 8745 1 14 . 1 1 89 89 ASP HA H 178 4.500 4.500 4.607 -0.107 17780 8746 1 14 . 1 1 89 89 ASP CA C 178 57.423 57.423 56.212 1.211 17780 8747 1 14 . 1 1 89 89 ASP CB C 178 41.792 41.792 41.203 0.589 17780 8748 1 14 . 1 1 89 89 ASP H H 178 7.696 7.696 7.874 -0.178 17780 8749 1 14 . 1 1 90 90 CYS N N 179 119.012 119.012 120.295 -1.283 17780 8750 1 14 . 1 1 90 90 CYS HA H 179 4.753 4.753 4.264 0.489 17780 8751 1 14 . 1 1 90 90 CYS CA C 179 58.466 58.466 62.305 -3.839 17780 8752 1 14 . 1 1 90 90 CYS CB C 179 40.758 40.758 25.646 15.111 17780 8753 1 14 . 1 1 90 90 CYS H H 179 8.037 8.037 7.423 0.614 17780 8754 1 14 . 1 1 91 91 VAL N N 180 125.063 125.063 120.430 4.633 17780 8755 1 14 . 1 1 91 91 VAL HA H 180 3.667 3.667 3.662 0.006 17780 8756 1 14 . 1 1 91 91 VAL CA C 180 66.293 66.293 66.891 -0.598 17780 8757 1 14 . 1 1 91 91 VAL CB C 180 32.028 32.028 32.046 -0.018 17780 8758 1 14 . 1 1 91 91 VAL H H 180 9.212 9.212 8.508 0.704 17780 8759 1 14 . 1 1 92 92 ASN N N 181 116.153 116.153 119.102 -2.949 17780 8760 1 14 . 1 1 92 92 ASN HA H 181 4.311 4.311 4.473 -0.162 17780 8761 1 14 . 1 1 92 92 ASN CA C 181 56.622 56.622 56.303 0.319 17780 8762 1 14 . 1 1 92 92 ASN CB C 181 38.749 38.749 38.215 0.534 17780 8763 1 14 . 1 1 92 92 ASN H H 181 7.626 7.626 7.469 0.157 17780 8764 1 14 . 1 1 93 93 ILE N N 182 118.637 118.637 120.082 -1.445 17780 8765 1 14 . 1 1 93 93 ILE HA H 182 3.787 3.787 3.766 0.021 17780 8766 1 14 . 1 1 93 93 ILE CA C 182 62.078 62.078 64.238 -2.160 17780 8767 1 14 . 1 1 93 93 ILE CB C 182 36.535 36.535 36.648 -0.113 17780 8768 1 14 . 1 1 93 93 ILE H H 182 8.610 8.610 8.700 -0.090 17780 8769 1 14 . 1 1 94 94 THR N N 183 118.229 118.229 117.584 0.645 17780 8770 1 14 . 1 1 94 94 THR HA H 183 4.097 4.097 4.093 0.004 17780 8771 1 14 . 1 1 94 94 THR CA C 183 68.834 68.834 67.476 1.358 17780 8772 1 14 . 1 1 94 94 THR CB C 183 68.258 68.258 68.532 -0.274 17780 8773 1 14 . 1 1 94 94 THR H H 183 8.140 8.140 8.059 0.081 17780 8774 1 14 . 1 1 95 95 ILE N N 184 120.906 120.906 121.817 -0.911 17780 8775 1 14 . 1 1 95 95 ILE HA H 184 3.666 3.666 3.873 -0.207 17780 8776 1 14 . 1 1 95 95 ILE CA C 184 66.259 66.259 63.493 2.766 17780 8777 1 14 . 1 1 95 95 ILE CB C 184 36.824 36.824 37.852 -1.028 17780 8778 1 14 . 1 1 95 95 ILE H H 184 8.450 8.450 7.891 0.559 17780 8779 1 14 . 1 1 96 96 LYS N N 185 123.208 123.208 121.339 1.869 17780 8780 1 14 . 1 1 96 96 LYS HA H 185 4.067 4.067 3.833 0.234 17780 8781 1 14 . 1 1 96 96 LYS CA C 185 59.987 59.987 60.254 -0.267 17780 8782 1 14 . 1 1 96 96 LYS CB C 185 32.119 32.119 32.156 -0.037 17780 8783 1 14 . 1 1 96 96 LYS H H 185 8.067 8.067 8.328 -0.261 17780 8784 1 14 . 1 1 97 97 GLN N N 186 116.879 116.879 117.961 -1.082 17780 8785 1 14 . 1 1 97 97 GLN HA H 186 4.059 4.059 3.990 0.069 17780 8786 1 14 . 1 1 97 97 GLN CA C 186 58.010 58.010 58.877 -0.867 17780 8787 1 14 . 1 1 97 97 GLN CB C 186 27.982 27.982 28.256 -0.274 17780 8788 1 14 . 1 1 97 97 GLN H H 186 8.493 8.493 8.347 0.146 17780 8789 1 14 . 1 1 98 98 HIS N N 187 119.676 119.676 121.177 -1.501 17780 8790 1 14 . 1 1 98 98 HIS HA H 187 4.579 4.579 4.457 0.122 17780 8791 1 14 . 1 1 98 98 HIS CA C 187 59.465 59.465 59.449 0.016 17780 8792 1 14 . 1 1 98 98 HIS CB C 187 31.628 31.628 29.728 1.900 17780 8793 1 14 . 1 1 98 98 HIS H H 187 8.435 8.435 7.696 0.739 17780 8794 1 14 . 1 1 99 99 THR N N 188 114.500 114.500 116.015 -1.515 17780 8795 1 14 . 1 1 99 99 THR HA H 188 4.090 4.090 3.765 0.325 17780 8796 1 14 . 1 1 99 99 THR CA C 188 66.210 66.210 65.758 0.452 17780 8797 1 14 . 1 1 99 99 THR CB C 188 68.800 68.800 68.488 0.312 17780 8798 1 14 . 1 1 99 99 THR H H 188 8.440 8.440 8.349 0.091 17780 8799 1 14 . 1 1 100 100 VAL N N 189 122.934 122.934 120.242 2.692 17780 8800 1 14 . 1 1 100 100 VAL HA H 189 3.838 3.838 3.787 0.051 17780 8801 1 14 . 1 1 100 100 VAL CA C 189 65.832 65.832 65.231 0.601 17780 8802 1 14 . 1 1 100 100 VAL CB C 189 31.897 31.897 31.985 -0.088 17780 8803 1 14 . 1 1 100 100 VAL H H 189 8.057 8.057 7.678 0.379 17780 8804 1 14 . 1 1 101 101 THR N N 190 115.101 115.101 111.933 3.168 17780 8805 1 14 . 1 1 101 101 THR HA H 190 4.140 4.140 4.093 0.047 17780 8806 1 14 . 1 1 101 101 THR CA C 190 64.907 64.907 66.131 -1.224 17780 8807 1 14 . 1 1 101 101 THR CB C 190 69.041 69.041 68.378 0.663 17780 8808 1 14 . 1 1 101 101 THR H H 190 8.131 8.131 7.534 0.597 17780 8809 1 14 . 1 1 102 102 THR N N 191 114.546 114.546 118.911 -4.365 17780 8810 1 14 . 1 1 102 102 THR HA H 191 4.092 4.092 3.811 0.281 17780 8811 1 14 . 1 1 102 102 THR CA C 191 64.801 64.801 67.760 -2.959 17780 8812 1 14 . 1 1 102 102 THR CB C 191 69.145 69.145 68.152 0.993 17780 8813 1 14 . 1 1 102 102 THR H H 191 8.011 8.011 7.823 0.188 17780 8814 1 14 . 1 1 103 103 THR N N 192 117.876 117.876 113.993 3.883 17780 8815 1 14 . 1 1 103 103 THR HA H 192 4.373 4.373 4.626 -0.253 17780 8816 1 14 . 1 1 103 103 THR CA C 192 64.935 64.935 65.403 -0.467 17780 8817 1 14 . 1 1 103 103 THR CB C 192 69.043 69.043 68.171 0.872 17780 8818 1 14 . 1 1 103 103 THR H H 192 8.224 8.224 7.514 0.710 17780 8819 1 14 . 1 1 104 104 THR N N 193 116.232 116.232 118.226 -1.994 17780 8820 1 14 . 1 1 104 104 THR HA H 193 4.204 4.204 4.105 0.099 17780 8821 1 14 . 1 1 104 104 THR CA C 193 64.311 64.311 65.495 -1.184 17780 8822 1 14 . 1 1 104 104 THR CB C 193 68.981 68.981 68.541 0.440 17780 8823 1 14 . 1 1 104 104 THR H H 193 7.805 7.805 7.579 0.226 17780 8824 1 14 . 1 1 105 105 LYS N N 194 119.843 119.843 118.581 1.262 17780 8825 1 14 . 1 1 105 105 LYS HA H 194 4.384 4.384 4.376 0.008 17780 8826 1 14 . 1 1 105 105 LYS CA C 194 56.220 56.220 55.357 0.863 17780 8827 1 14 . 1 1 105 105 LYS CB C 194 32.527 32.527 32.361 0.166 17780 8828 1 14 . 1 1 105 105 LYS H H 194 7.504 7.504 7.640 -0.136 17780 8829 1 14 . 1 1 106 106 GLY N N 195 107.946 107.946 107.823 0.123 17780 8830 1 14 . 1 1 106 106 GLY CA C 195 45.431 45.431 45.306 0.125 17780 8831 1 14 . 1 1 106 106 GLY H H 195 7.924 7.924 7.723 0.201 17780 8832 1 14 . 1 1 107 107 GLU N N 196 120.063 120.063 119.877 0.186 17780 8833 1 14 . 1 1 107 107 GLU HA H 196 4.255 4.255 4.676 -0.421 17780 8834 1 14 . 1 1 107 107 GLU CA C 196 55.597 55.597 54.663 0.934 17780 8835 1 14 . 1 1 107 107 GLU CB C 196 31.073 31.073 32.820 -1.747 17780 8836 1 14 . 1 1 107 107 GLU H H 196 7.465 7.465 8.172 -0.707 17780 8837 1 14 . 1 1 108 108 ASN N N 197 119.350 119.350 119.643 -0.293 17780 8838 1 14 . 1 1 108 108 ASN HA H 197 4.657 4.657 5.052 -0.395 17780 8839 1 14 . 1 1 108 108 ASN CA C 197 52.673 52.673 53.076 -0.403 17780 8840 1 14 . 1 1 108 108 ASN CB C 197 40.827 40.827 40.275 0.552 17780 8841 1 14 . 1 1 108 108 ASN H H 197 8.458 8.458 8.617 -0.159 17780 8842 1 14 . 1 1 109 109 PHE N N 198 121.688 121.688 120.167 1.521 17780 8843 1 14 . 1 1 109 109 PHE HA H 198 5.317 5.317 4.835 0.482 17780 8844 1 14 . 1 1 109 109 PHE CA C 198 56.571 56.571 56.422 0.149 17780 8845 1 14 . 1 1 109 109 PHE CB C 198 40.093 40.093 42.774 -2.681 17780 8846 1 14 . 1 1 109 109 PHE H H 198 8.709 8.709 8.709 0.000 17780 8847 1 14 . 1 1 110 110 THR N N 199 115.904 115.904 115.293 0.611 17780 8848 1 14 . 1 1 110 110 THR HA H 199 4.624 4.624 4.590 0.034 17780 8849 1 14 . 1 1 110 110 THR CA C 199 60.343 60.343 61.064 -0.721 17780 8850 1 14 . 1 1 110 110 THR CB C 199 72.033 72.033 70.508 1.525 17780 8851 1 14 . 1 1 110 110 THR H H 199 9.547 9.547 8.964 0.583 17780 8852 1 14 . 1 1 111 111 GLU N N 200 119.988 119.988 120.495 -0.507 17780 8853 1 14 . 1 1 111 111 GLU HA H 200 4.067 4.067 4.024 0.043 17780 8854 1 14 . 1 1 111 111 GLU CA C 200 60.027 60.027 59.754 0.273 17780 8855 1 14 . 1 1 111 111 GLU CB C 200 28.976 28.976 28.635 0.341 17780 8856 1 14 . 1 1 111 111 GLU H H 200 9.132 9.132 8.983 0.149 17780 8857 1 14 . 1 1 112 112 THR N N 201 116.221 116.221 116.275 -0.054 17780 8858 1 14 . 1 1 112 112 THR HA H 201 3.796 3.796 4.134 -0.338 17780 8859 1 14 . 1 1 112 112 THR CA C 201 66.781 66.781 66.790 -0.009 17780 8860 1 14 . 1 1 112 112 THR CB C 201 68.581 68.581 68.306 0.275 17780 8861 1 14 . 1 1 112 112 THR H H 201 7.934 7.934 8.118 -0.184 17780 8862 1 14 . 1 1 113 113 ASP N N 202 120.001 120.001 123.108 -3.107 17780 8863 1 14 . 1 1 113 113 ASP HA H 202 4.598 4.598 4.509 0.089 17780 8864 1 14 . 1 1 113 113 ASP CA C 202 57.984 57.984 58.188 -0.204 17780 8865 1 14 . 1 1 113 113 ASP CB C 202 41.756 41.756 41.066 0.690 17780 8866 1 14 . 1 1 113 113 ASP H H 202 7.503 7.503 8.180 -0.677 17780 8867 1 14 . 1 1 114 114 VAL N N 203 119.529 119.529 119.128 0.401 17780 8868 1 14 . 1 1 114 114 VAL HA H 203 3.279 3.279 3.655 -0.376 17780 8869 1 14 . 1 1 114 114 VAL CA C 203 67.817 67.817 66.064 1.753 17780 8870 1 14 . 1 1 114 114 VAL CB C 203 31.528 31.528 31.161 0.367 17780 8871 1 14 . 1 1 114 114 VAL H H 203 8.209 8.209 7.755 0.454 17780 8872 1 14 . 1 1 115 115 LYS N N 204 119.051 119.051 120.231 -1.180 17780 8873 1 14 . 1 1 115 115 LYS HA H 204 4.082 4.082 4.189 -0.107 17780 8874 1 14 . 1 1 115 115 LYS CA C 204 59.268 59.268 59.514 -0.246 17780 8875 1 14 . 1 1 115 115 LYS CB C 204 31.979 31.979 32.542 -0.563 17780 8876 1 14 . 1 1 115 115 LYS H H 204 7.714 7.714 7.912 -0.198 17780 8877 1 14 . 1 1 116 116 MET N N 205 118.581 118.581 116.857 1.724 17780 8878 1 14 . 1 1 116 116 MET HA H 205 4.167 4.167 4.480 -0.313 17780 8879 1 14 . 1 1 116 116 MET CA C 205 59.984 59.984 58.470 1.514 17780 8880 1 14 . 1 1 116 116 MET CB C 205 32.933 32.933 33.177 -0.244 17780 8881 1 14 . 1 1 116 116 MET H H 205 8.182 8.182 8.263 -0.081 17780 8882 1 14 . 1 1 117 117 MET N N 206 118.259 118.259 118.238 0.021 17780 8883 1 14 . 1 1 117 117 MET HA H 206 3.561 3.561 4.050 -0.489 17780 8884 1 14 . 1 1 117 117 MET CA C 206 59.967 59.967 58.393 1.574 17780 8885 1 14 . 1 1 117 117 MET CB C 206 33.824 33.824 31.697 2.127 17780 8886 1 14 . 1 1 117 117 MET H H 206 8.691 8.691 8.182 0.509 17780 8887 1 14 . 1 1 118 118 GLU N N 207 118.878 118.878 120.164 -1.286 17780 8888 1 14 . 1 1 118 118 GLU HA H 207 3.658 3.658 3.892 -0.234 17780 8889 1 14 . 1 1 118 118 GLU CA C 207 60.702 60.702 59.504 1.198 17780 8890 1 14 . 1 1 118 118 GLU CB C 207 29.000 29.000 29.335 -0.335 17780 8891 1 14 . 1 1 118 118 GLU H H 207 8.544 8.544 8.032 0.512 17780 8892 1 14 . 1 1 119 119 ARG N N 208 116.694 116.694 116.891 -0.197 17780 8893 1 14 . 1 1 119 119 ARG HA H 208 4.228 4.228 4.032 0.196 17780 8894 1 14 . 1 1 119 119 ARG CA C 208 58.554 58.554 59.034 -0.480 17780 8895 1 14 . 1 1 119 119 ARG CB C 208 30.136 30.136 30.020 0.116 17780 8896 1 14 . 1 1 119 119 ARG H H 208 7.289 7.289 7.738 -0.449 17780 8897 1 14 . 1 1 120 120 VAL N N 209 119.035 119.035 115.561 3.474 17780 8898 1 14 . 1 1 120 120 VAL HA H 209 3.837 3.837 4.076 -0.239 17780 8899 1 14 . 1 1 120 120 VAL CA C 209 65.766 65.766 64.961 0.805 17780 8900 1 14 . 1 1 120 120 VAL CB C 209 32.213 32.213 31.693 0.520 17780 8901 1 14 . 1 1 120 120 VAL H H 209 8.279 8.279 7.397 0.882 17780 8902 1 14 . 1 1 121 121 VAL N N 210 121.668 121.668 117.356 4.312 17780 8903 1 14 . 1 1 121 121 VAL HA H 210 3.597 3.597 3.971 -0.374 17780 8904 1 14 . 1 1 121 121 VAL CA C 210 66.639 66.639 65.185 1.454 17780 8905 1 14 . 1 1 121 121 VAL CB C 210 31.097 31.097 31.067 0.031 17780 8906 1 14 . 1 1 121 121 VAL H H 210 9.183 9.183 7.576 1.607 17780 8907 1 14 . 1 1 122 122 GLU N N 211 120.770 120.770 121.043 -0.273 17780 8908 1 14 . 1 1 122 122 GLU HA H 211 3.603 3.603 3.867 -0.264 17780 8909 1 14 . 1 1 122 122 GLU CA C 211 61.132 61.132 60.224 0.908 17780 8910 1 14 . 1 1 122 122 GLU CB C 211 29.153 29.153 29.176 -0.023 17780 8911 1 14 . 1 1 122 122 GLU H H 211 8.041 8.041 7.617 0.424 17780 8912 1 14 . 1 1 123 123 GLN N N 212 114.580 114.580 117.133 -2.553 17780 8913 1 14 . 1 1 123 123 GLN HA H 212 3.662 3.662 4.108 -0.446 17780 8914 1 14 . 1 1 123 123 GLN CA C 212 58.509 58.509 57.690 0.819 17780 8915 1 14 . 1 1 123 123 GLN CB C 212 27.824 27.824 28.122 -0.298 17780 8916 1 14 . 1 1 123 123 GLN H H 212 7.096 7.096 7.831 -0.735 17780 8917 1 14 . 1 1 124 124 MET N N 213 119.748 119.748 120.680 -0.932 17780 8918 1 14 . 1 1 124 124 MET HA H 213 4.167 4.167 4.197 -0.030 17780 8919 1 14 . 1 1 124 124 MET CA C 213 59.928 59.928 59.070 0.858 17780 8920 1 14 . 1 1 124 124 MET CB C 213 34.529 34.529 32.591 1.938 17780 8921 1 14 . 1 1 124 124 MET H H 213 8.145 8.145 7.667 0.478 17780 8922 1 14 . 1 1 125 125 CYS N N 214 119.538 119.538 118.958 0.580 17780 8923 1 14 . 1 1 125 125 CYS HA H 214 4.427 4.427 4.211 0.216 17780 8924 1 14 . 1 1 125 125 CYS CA C 214 59.838 59.838 62.160 -2.322 17780 8925 1 14 . 1 1 125 125 CYS CB C 214 41.798 41.798 25.648 16.150 17780 8926 1 14 . 1 1 125 125 CYS H H 214 9.275 9.275 7.849 1.426 17780 8927 1 14 . 1 1 126 126 ILE N N 215 123.982 123.982 120.907 3.075 17780 8928 1 14 . 1 1 126 126 ILE HA H 215 3.579 3.579 3.824 -0.245 17780 8929 1 14 . 1 1 126 126 ILE CA C 215 66.649 66.649 65.479 1.170 17780 8930 1 14 . 1 1 126 126 ILE CB C 215 38.152 38.152 37.830 0.322 17780 8931 1 14 . 1 1 126 126 ILE H H 215 8.434 8.434 7.721 0.713 17780 8932 1 14 . 1 1 127 127 THR N N 216 118.728 118.728 116.396 2.332 17780 8933 1 14 . 1 1 127 127 THR HA H 216 3.835 3.835 3.947 -0.112 17780 8934 1 14 . 1 1 127 127 THR CA C 216 67.425 67.425 67.029 0.396 17780 8935 1 14 . 1 1 127 127 THR CB C 216 68.035 68.035 68.191 -0.156 17780 8936 1 14 . 1 1 127 127 THR H H 216 8.097 8.097 7.898 0.199 17780 8937 1 14 . 1 1 128 128 GLN N N 217 122.368 122.368 120.238 2.130 17780 8938 1 14 . 1 1 128 128 GLN HA H 217 3.662 3.662 4.105 -0.443 17780 8939 1 14 . 1 1 128 128 GLN CA C 217 58.462 58.462 58.454 0.008 17780 8940 1 14 . 1 1 128 128 GLN CB C 217 28.075 28.075 28.381 -0.306 17780 8941 1 14 . 1 1 128 128 GLN H H 217 8.637 8.637 7.657 0.980 17780 8942 1 14 . 1 1 129 129 TYR N N 218 121.512 121.512 122.650 -1.138 17780 8943 1 14 . 1 1 129 129 TYR HA H 218 2.929 2.929 3.978 -1.049 17780 8944 1 14 . 1 1 129 129 TYR CA C 218 61.904 61.904 61.420 0.484 17780 8945 1 14 . 1 1 129 129 TYR CB C 218 37.075 37.075 38.391 -1.316 17780 8946 1 14 . 1 1 129 129 TYR H H 218 8.705 8.705 8.984 -0.279 17780 8947 1 14 . 1 1 130 130 LYS N N 219 120.801 120.801 117.488 3.313 17780 8948 1 14 . 1 1 130 130 LYS HA H 219 3.667 3.667 3.629 0.038 17780 8949 1 14 . 1 1 130 130 LYS CA C 219 60.001 60.001 58.062 1.940 17780 8950 1 14 . 1 1 130 130 LYS CB C 219 31.732 31.732 31.584 0.148 17780 8951 1 14 . 1 1 130 130 LYS H H 219 8.232 8.232 8.358 -0.126 17780 8952 1 14 . 1 1 131 131 ARG HA H 220 3.978 3.978 3.979 -0.001 17780 8953 1 14 . 1 1 131 131 ARG CA C 220 59.013 59.013 58.792 0.221 17780 8954 1 14 . 1 1 131 131 ARG CB C 220 30.028 30.028 30.032 -0.004 17780 8955 1 14 . 1 1 132 132 GLU N N 221 119.690 119.690 118.681 1.009 17780 8956 1 14 . 1 1 132 132 GLU HA H 221 4.035 4.035 4.135 -0.100 17780 8957 1 14 . 1 1 132 132 GLU CA C 221 58.006 58.006 58.614 -0.608 17780 8958 1 14 . 1 1 132 132 GLU CB C 221 29.270 29.270 29.486 -0.216 17780 8959 1 14 . 1 1 132 132 GLU H H 221 8.521 8.521 8.079 0.442 17780 8960 1 14 . 1 1 133 133 SER N N 222 115.963 115.963 116.084 -0.121 17780 8961 1 14 . 1 1 133 133 SER HA H 222 3.884 3.884 3.890 -0.006 17780 8962 1 14 . 1 1 133 133 SER CA C 222 61.500 61.500 61.957 -0.457 17780 8963 1 14 . 1 1 133 133 SER CB C 222 62.207 62.207 62.011 0.196 17780 8964 1 14 . 1 1 133 133 SER H H 222 8.543 8.543 8.224 0.319 17780 8965 1 14 . 1 1 134 134 GLN N N 223 120.695 120.695 120.401 0.294 17780 8966 1 14 . 1 1 134 134 GLN HA H 223 4.152 4.152 3.868 0.284 17780 8967 1 14 . 1 1 134 134 GLN CA C 223 58.646 58.646 58.377 0.269 17780 8968 1 14 . 1 1 134 134 GLN CB C 223 28.299 28.299 28.438 -0.139 17780 8969 1 14 . 1 1 134 134 GLN H H 223 7.486 7.486 7.401 0.085 17780 8970 1 14 . 1 1 135 135 ALA N N 224 120.905 120.905 121.151 -0.246 17780 8971 1 14 . 1 1 135 135 ALA HA H 224 4.169 4.169 4.137 0.032 17780 8972 1 14 . 1 1 135 135 ALA CA C 224 54.404 54.404 54.361 0.043 17780 8973 1 14 . 1 1 135 135 ALA CB C 224 18.233 18.233 18.331 -0.098 17780 8974 1 14 . 1 1 135 135 ALA H H 224 7.497 7.497 7.367 0.130 17780 8975 1 14 . 1 1 136 136 TYR N N 225 119.969 119.969 121.187 -1.218 17780 8976 1 14 . 1 1 136 136 TYR HA H 225 4.080 4.080 4.128 -0.048 17780 8977 1 14 . 1 1 136 136 TYR CA C 225 61.060 61.060 61.271 -0.211 17780 8978 1 14 . 1 1 136 136 TYR CB C 225 39.008 39.008 38.599 0.409 17780 8979 1 14 . 1 1 136 136 TYR H H 225 8.215 8.215 7.720 0.495 17780 8980 1 14 . 1 1 137 137 TYR N N 226 117.988 117.988 116.677 1.311 17780 8981 1 14 . 1 1 137 137 TYR HA H 226 4.319 4.319 3.908 0.411 17780 8982 1 14 . 1 1 137 137 TYR CA C 226 59.543 59.543 58.332 1.211 17780 8983 1 14 . 1 1 137 137 TYR CB C 226 37.769 37.769 36.752 1.018 17780 8984 1 14 . 1 1 137 137 TYR H H 226 8.022 8.022 8.692 -0.670 17780 8985 1 14 . 1 1 138 138 GLN N N 227 118.911 118.911 118.682 0.229 17780 8986 1 14 . 1 1 138 138 GLN HA H 227 4.189 4.189 4.080 0.109 17780 8987 1 14 . 1 1 138 138 GLN CA C 227 57.002 57.002 57.747 -0.745 17780 8988 1 14 . 1 1 138 138 GLN CB C 227 28.740 28.740 27.630 1.110 17780 8989 1 14 . 1 1 138 138 GLN H H 227 7.838 7.838 7.655 0.183 17780 8990 1 14 . 1 1 139 139 ARG N N 228 119.910 119.910 118.871 1.039 17780 8991 1 14 . 1 1 139 139 ARG HA H 228 4.207 4.207 4.115 0.092 17780 8992 1 14 . 1 1 139 139 ARG CA C 228 57.338 57.338 57.019 0.319 17780 8993 1 14 . 1 1 139 139 ARG CB C 228 30.390 30.390 29.785 0.605 17780 8994 1 14 . 1 1 139 139 ARG H H 228 7.862 7.862 7.799 0.063 17780 8995 1 14 . 1 1 140 140 GLY N N 229 108.627 108.627 106.157 2.470 17780 8996 1 14 . 1 1 140 140 GLY CA C 229 45.477 45.477 44.402 1.075 17780 8997 1 14 . 1 1 140 140 GLY H H 229 8.092 8.092 7.678 0.414 17780 8998 1 14 . 1 1 141 141 SER N N 230 115.141 115.141 116.270 -1.129 17780 8999 1 14 . 1 1 141 141 SER HA H 230 4.330 4.330 4.552 -0.222 17780 9000 1 14 . 1 1 141 141 SER CA C 230 58.650 58.650 58.419 0.231 17780 9001 1 14 . 1 1 141 141 SER CB C 230 63.641 63.641 64.187 -0.546 17780 9002 1 14 . 1 1 141 141 SER H H 230 8.050 8.050 7.537 0.513 17780 9003 1 15 . 1 1 2 2 GLN N N 91 119.729 119.729 118.977 0.752 17780 9004 1 15 . 1 1 2 2 GLN HA H 91 4.407 4.407 4.327 0.080 17780 9005 1 15 . 1 1 2 2 GLN CA C 91 55.969 55.969 56.101 -0.132 17780 9006 1 15 . 1 1 2 2 GLN CB C 91 29.576 29.576 29.489 0.087 17780 9007 1 15 . 1 1 2 2 GLN H H 91 8.267 8.267 8.363 -0.096 17780 9008 1 15 . 1 1 3 3 GLY N N 92 110.081 110.081 106.693 3.388 17780 9009 1 15 . 1 1 3 3 GLY CA C 92 45.115 45.115 44.666 0.449 17780 9010 1 15 . 1 1 3 3 GLY H H 92 8.515 8.515 7.813 0.702 17780 9011 1 15 . 1 1 4 4 GLY N N 93 108.748 108.748 106.250 2.498 17780 9012 1 15 . 1 1 4 4 GLY CA C 93 45.228 45.228 45.146 0.082 17780 9013 1 15 . 1 1 4 4 GLY H H 93 8.331 8.331 8.219 0.112 17780 9014 1 15 . 1 1 5 5 GLY N N 94 108.857 108.857 107.508 1.349 17780 9015 1 15 . 1 1 5 5 GLY CA C 94 45.172 45.172 45.254 -0.082 17780 9016 1 15 . 1 1 5 5 GLY H H 94 8.362 8.362 9.124 -0.762 17780 9017 1 15 . 1 1 6 6 THR N N 95 113.538 113.538 112.871 0.667 17780 9018 1 15 . 1 1 6 6 THR HA H 95 4.282 4.282 4.909 -0.627 17780 9019 1 15 . 1 1 6 6 THR CA C 95 61.906 61.906 61.342 0.564 17780 9020 1 15 . 1 1 6 6 THR CB C 95 69.711 69.711 70.081 -0.370 17780 9021 1 15 . 1 1 6 6 THR H H 95 8.129 8.129 8.659 -0.530 17780 9022 1 15 . 1 1 7 7 HIS N N 96 121.027 121.027 120.575 0.452 17780 9023 1 15 . 1 1 7 7 HIS HA H 96 4.713 4.713 4.866 -0.153 17780 9024 1 15 . 1 1 7 7 HIS CA C 96 55.169 55.169 55.365 -0.196 17780 9025 1 15 . 1 1 7 7 HIS CB C 96 29.575 29.575 29.649 -0.074 17780 9026 1 15 . 1 1 7 7 HIS H H 96 8.497 8.497 8.120 0.377 17780 9027 1 15 . 1 1 8 8 SER N N 97 117.031 117.031 117.241 -0.210 17780 9028 1 15 . 1 1 8 8 SER HA H 97 4.405 4.405 4.373 0.032 17780 9029 1 15 . 1 1 8 8 SER CA C 97 58.379 58.379 58.683 -0.304 17780 9030 1 15 . 1 1 8 8 SER CB C 97 63.535 63.535 63.546 -0.011 17780 9031 1 15 . 1 1 8 8 SER H H 97 8.275 8.275 8.022 0.253 17780 9032 1 15 . 1 1 9 9 GLN N N 98 122.084 122.084 124.465 -2.381 17780 9033 1 15 . 1 1 9 9 GLN HA H 98 4.279 4.279 4.633 -0.354 17780 9034 1 15 . 1 1 9 9 GLN CA C 98 55.970 55.970 55.617 0.353 17780 9035 1 15 . 1 1 9 9 GLN CB C 98 29.157 29.157 30.529 -1.372 17780 9036 1 15 . 1 1 9 9 GLN H H 98 8.462 8.462 8.459 0.003 17780 9037 1 15 . 1 1 10 10 TRP N N 99 121.630 121.630 127.487 -5.857 17780 9038 1 15 . 1 1 10 10 TRP HA H 99 4.676 4.676 4.811 -0.135 17780 9039 1 15 . 1 1 10 10 TRP CA C 99 57.046 57.046 57.162 -0.116 17780 9040 1 15 . 1 1 10 10 TRP CB C 99 29.440 29.440 31.051 -1.611 17780 9041 1 15 . 1 1 10 10 TRP H H 99 8.086 8.086 8.458 -0.372 17780 9042 1 15 . 1 1 11 11 ASN N N 100 120.591 120.591 120.953 -0.362 17780 9043 1 15 . 1 1 11 11 ASN HA H 100 4.602 4.602 4.137 0.465 17780 9044 1 15 . 1 1 11 11 ASN CA C 100 52.675 52.675 51.295 1.380 17780 9045 1 15 . 1 1 11 11 ASN CB C 100 38.781 38.781 40.631 -1.850 17780 9046 1 15 . 1 1 11 11 ASN H H 100 8.095 8.095 7.576 0.519 17780 9047 1 15 . 1 1 12 12 LYS N N 101 122.656 122.656 120.486 2.170 17780 9048 1 15 . 1 1 12 12 LYS HA H 101 4.435 4.435 4.053 0.382 17780 9049 1 15 . 1 1 12 12 LYS CA C 101 54.139 54.139 54.264 -0.125 17780 9050 1 15 . 1 1 12 12 LYS CB C 101 32.474 32.474 32.285 0.189 17780 9051 1 15 . 1 1 12 12 LYS H H 101 7.985 7.985 7.962 0.023 17780 9052 1 15 . 1 1 13 13 PRO HA H 102 4.425 4.425 4.299 0.126 17780 9053 1 15 . 1 1 13 13 PRO CA C 102 63.065 63.065 63.312 -0.247 17780 9054 1 15 . 1 1 13 13 PRO CB C 102 32.056 32.056 32.288 -0.231 17780 9055 1 15 . 1 1 14 14 SER N N 103 116.881 116.881 114.234 2.647 17780 9056 1 15 . 1 1 14 14 SER HA H 103 4.430 4.430 4.200 0.230 17780 9057 1 15 . 1 1 14 14 SER CA C 103 57.973 57.973 58.258 -0.285 17780 9058 1 15 . 1 1 14 14 SER CB C 103 63.669 63.669 62.568 1.101 17780 9059 1 15 . 1 1 14 14 SER H H 103 8.420 8.420 8.111 0.309 17780 9060 1 15 . 1 1 15 15 LYS N N 104 124.163 124.163 120.416 3.747 17780 9061 1 15 . 1 1 15 15 LYS HA H 104 4.620 4.620 4.412 0.208 17780 9062 1 15 . 1 1 15 15 LYS CA C 104 54.160 54.160 55.195 -1.035 17780 9063 1 15 . 1 1 15 15 LYS CB C 104 32.606 32.606 32.548 0.058 17780 9064 1 15 . 1 1 15 15 LYS H H 104 8.321 8.321 7.715 0.606 17780 9065 1 15 . 1 1 16 16 PRO HA H 105 4.412 4.412 4.490 -0.078 17780 9066 1 15 . 1 1 16 16 PRO CA C 105 63.012 63.012 62.799 0.213 17780 9067 1 15 . 1 1 16 16 PRO CB C 105 32.152 32.152 32.682 -0.530 17780 9068 1 15 . 1 1 17 17 LYS N N 106 122.072 122.072 120.206 1.866 17780 9069 1 15 . 1 1 17 17 LYS HA H 106 4.338 4.338 4.610 -0.272 17780 9070 1 15 . 1 1 17 17 LYS CA C 106 56.299 56.299 55.867 0.432 17780 9071 1 15 . 1 1 17 17 LYS CB C 106 32.928 32.928 34.127 -1.199 17780 9072 1 15 . 1 1 17 17 LYS H H 106 8.516 8.516 8.321 0.195 17780 9073 1 15 . 1 1 18 18 THR N N 107 115.252 115.252 116.165 -0.913 17780 9074 1 15 . 1 1 18 18 THR HA H 107 4.323 4.323 4.650 -0.327 17780 9075 1 15 . 1 1 18 18 THR CA C 107 61.523 61.523 61.873 -0.350 17780 9076 1 15 . 1 1 18 18 THR CB C 107 69.778 69.778 69.701 0.077 17780 9077 1 15 . 1 1 18 18 THR H H 107 8.133 8.133 8.565 -0.432 17780 9078 1 15 . 1 1 19 19 ASN N N 108 121.344 121.344 122.399 -1.055 17780 9079 1 15 . 1 1 19 19 ASN HA H 108 4.712 4.712 4.804 -0.092 17780 9080 1 15 . 1 1 19 19 ASN CA C 108 53.019 53.019 52.976 0.043 17780 9081 1 15 . 1 1 19 19 ASN CB C 108 38.728 38.728 38.190 0.538 17780 9082 1 15 . 1 1 19 19 ASN H H 108 8.537 8.537 8.858 -0.321 17780 9083 1 15 . 1 1 20 20 MET N N 109 121.309 121.309 118.234 3.075 17780 9084 1 15 . 1 1 20 20 MET HA H 109 4.437 4.437 4.510 -0.073 17780 9085 1 15 . 1 1 20 20 MET CA C 109 55.446 55.446 55.549 -0.103 17780 9086 1 15 . 1 1 20 20 MET CB C 109 32.809 32.809 30.812 1.997 17780 9087 1 15 . 1 1 20 20 MET H H 109 8.346 8.346 8.188 0.158 17780 9088 1 15 . 1 1 21 21 LYS N N 110 122.292 122.292 122.054 0.238 17780 9089 1 15 . 1 1 21 21 LYS HA H 110 4.237 4.237 4.398 -0.161 17780 9090 1 15 . 1 1 21 21 LYS CA C 110 56.394 56.394 56.551 -0.157 17780 9091 1 15 . 1 1 21 21 LYS CB C 110 32.923 32.923 32.975 -0.052 17780 9092 1 15 . 1 1 21 21 LYS H H 110 8.300 8.300 7.997 0.303 17780 9093 1 15 . 1 1 22 22 HIS N N 111 120.193 120.193 123.665 -3.472 17780 9094 1 15 . 1 1 22 22 HIS HA H 111 4.642 4.642 4.788 -0.146 17780 9095 1 15 . 1 1 22 22 HIS CA C 111 55.391 55.391 55.748 -0.357 17780 9096 1 15 . 1 1 22 22 HIS CB C 111 29.501 29.501 31.693 -2.192 17780 9097 1 15 . 1 1 22 22 HIS H H 111 8.406 8.406 8.645 -0.239 17780 9098 1 15 . 1 1 23 23 MET N N 112 122.529 122.529 122.854 -0.325 17780 9099 1 15 . 1 1 23 23 MET HA H 112 4.464 4.464 4.641 -0.177 17780 9100 1 15 . 1 1 23 23 MET CA C 112 55.125 55.125 55.151 -0.026 17780 9101 1 15 . 1 1 23 23 MET CB C 112 32.930 32.930 35.520 -2.590 17780 9102 1 15 . 1 1 23 23 MET H H 112 8.326 8.326 8.618 -0.292 17780 9103 1 15 . 1 1 24 24 ALA N N 113 125.642 125.642 122.687 2.955 17780 9104 1 15 . 1 1 24 24 ALA HA H 113 4.315 4.315 4.712 -0.397 17780 9105 1 15 . 1 1 24 24 ALA CA C 113 52.521 52.521 52.634 -0.113 17780 9106 1 15 . 1 1 24 24 ALA CB C 113 19.181 19.181 20.586 -1.405 17780 9107 1 15 . 1 1 24 24 ALA H H 113 8.370 8.370 8.588 -0.218 17780 9108 1 15 . 1 1 25 25 GLY N N 114 108.473 108.473 107.958 0.515 17780 9109 1 15 . 1 1 25 25 GLY CA C 114 45.175 45.175 45.976 -0.801 17780 9110 1 15 . 1 1 25 25 GLY H H 114 8.373 8.373 8.568 -0.195 17780 9111 1 15 . 1 1 26 26 ALA N N 115 123.872 123.872 121.400 2.472 17780 9112 1 15 . 1 1 26 26 ALA HA H 115 4.316 4.316 4.520 -0.204 17780 9113 1 15 . 1 1 26 26 ALA CA C 115 52.496 52.496 52.589 -0.093 17780 9114 1 15 . 1 1 26 26 ALA CB C 115 19.181 19.181 19.385 -0.204 17780 9115 1 15 . 1 1 26 26 ALA H H 115 8.134 8.134 8.029 0.105 17780 9116 1 15 . 1 1 27 27 ALA N N 116 123.172 123.172 123.535 -0.363 17780 9117 1 15 . 1 1 27 27 ALA HA H 116 4.287 4.287 4.491 -0.204 17780 9118 1 15 . 1 1 27 27 ALA CA C 116 52.464 52.464 52.115 0.349 17780 9119 1 15 . 1 1 27 27 ALA CB C 116 19.180 19.180 20.252 -1.072 17780 9120 1 15 . 1 1 27 27 ALA H H 116 8.268 8.268 8.212 0.056 17780 9121 1 15 . 1 1 28 28 ALA N N 117 123.253 123.253 123.063 0.190 17780 9122 1 15 . 1 1 28 28 ALA HA H 117 4.277 4.277 4.618 -0.341 17780 9123 1 15 . 1 1 28 28 ALA CA C 117 52.383 52.383 52.280 0.103 17780 9124 1 15 . 1 1 28 28 ALA CB C 117 19.156 19.156 20.444 -1.288 17780 9125 1 15 . 1 1 28 28 ALA H H 117 8.169 8.169 8.308 -0.139 17780 9126 1 15 . 1 1 29 29 ALA N N 118 123.225 123.225 123.773 -0.548 17780 9127 1 15 . 1 1 29 29 ALA HA H 118 4.282 4.282 4.556 -0.274 17780 9128 1 15 . 1 1 29 29 ALA CA C 118 52.469 52.469 51.889 0.580 17780 9129 1 15 . 1 1 29 29 ALA CB C 118 19.129 19.129 20.465 -1.336 17780 9130 1 15 . 1 1 29 29 ALA H H 118 8.204 8.204 8.301 -0.097 17780 9131 1 15 . 1 1 30 30 GLY N N 119 107.906 107.906 112.883 -4.977 17780 9132 1 15 . 1 1 30 30 GLY CA C 119 45.089 45.089 45.754 -0.665 17780 9133 1 15 . 1 1 30 30 GLY H H 119 8.271 8.271 8.948 -0.677 17780 9134 1 15 . 1 1 31 31 ALA N N 120 123.540 123.540 124.452 -0.912 17780 9135 1 15 . 1 1 31 31 ALA HA H 120 4.339 4.339 4.586 -0.247 17780 9136 1 15 . 1 1 31 31 ALA CA C 120 52.282 52.282 51.937 0.345 17780 9137 1 15 . 1 1 31 31 ALA CB C 120 19.432 19.432 19.505 -0.073 17780 9138 1 15 . 1 1 31 31 ALA H H 120 8.039 8.039 7.793 0.246 17780 9139 1 15 . 1 1 32 32 VAL N N 121 119.579 119.579 112.562 7.017 17780 9140 1 15 . 1 1 32 32 VAL HA H 121 4.117 4.117 3.804 0.313 17780 9141 1 15 . 1 1 32 32 VAL CA C 121 62.142 62.142 63.356 -1.214 17780 9142 1 15 . 1 1 32 32 VAL CB C 121 32.673 32.673 29.920 2.753 17780 9143 1 15 . 1 1 32 32 VAL H H 121 8.109 8.109 8.643 -0.534 17780 9144 1 15 . 1 1 33 33 VAL N N 122 124.655 124.655 122.081 2.574 17780 9145 1 15 . 1 1 33 33 VAL HA H 122 4.081 4.081 3.834 0.247 17780 9146 1 15 . 1 1 33 33 VAL CA C 122 62.430 62.430 65.138 -2.708 17780 9147 1 15 . 1 1 33 33 VAL CB C 122 32.675 32.675 30.556 2.119 17780 9148 1 15 . 1 1 33 33 VAL H H 122 8.262 8.262 7.387 0.875 17780 9149 1 15 . 1 1 34 34 GLY N N 123 113.165 113.165 117.994 -4.829 17780 9150 1 15 . 1 1 34 34 GLY CA C 123 45.264 45.264 46.239 -0.974 17780 9151 1 15 . 1 1 34 34 GLY H H 123 8.528 8.528 8.888 -0.360 17780 9152 1 15 . 1 1 35 35 GLY N N 124 108.440 108.440 109.954 -1.514 17780 9153 1 15 . 1 1 35 35 GLY CA C 124 45.264 45.264 45.425 -0.161 17780 9154 1 15 . 1 1 35 35 GLY H H 124 8.245 8.245 8.169 0.076 17780 9155 1 15 . 1 1 36 36 LEU N N 125 121.679 121.679 119.517 2.162 17780 9156 1 15 . 1 1 36 36 LEU HA H 125 4.340 4.340 4.747 -0.407 17780 9157 1 15 . 1 1 36 36 LEU CA C 125 54.808 54.808 55.077 -0.269 17780 9158 1 15 . 1 1 36 36 LEU CB C 125 42.417 42.417 43.615 -1.198 17780 9159 1 15 . 1 1 36 36 LEU H H 125 8.233 8.233 7.462 0.771 17780 9160 1 15 . 1 1 37 37 GLY N N 126 109.818 109.818 106.705 3.113 17780 9161 1 15 . 1 1 37 37 GLY CA C 126 46.266 46.266 45.538 0.728 17780 9162 1 15 . 1 1 37 37 GLY H H 126 8.511 8.511 8.663 -0.152 17780 9163 1 15 . 1 1 38 38 GLY N N 127 109.485 109.485 109.399 0.086 17780 9164 1 15 . 1 1 38 38 GLY CA C 127 45.029 45.029 45.113 -0.084 17780 9165 1 15 . 1 1 38 38 GLY H H 127 8.374 8.374 7.684 0.690 17780 9166 1 15 . 1 1 39 39 TYR N N 128 117.683 117.683 123.416 -5.733 17780 9167 1 15 . 1 1 39 39 TYR HA H 128 4.501 4.501 5.018 -0.517 17780 9168 1 15 . 1 1 39 39 TYR CA C 128 58.050 58.050 56.865 1.185 17780 9169 1 15 . 1 1 39 39 TYR CB C 128 40.362 40.362 41.926 -1.564 17780 9170 1 15 . 1 1 39 39 TYR H H 128 7.746 7.746 8.227 -0.481 17780 9171 1 15 . 1 1 40 40 MET N N 129 120.902 120.902 116.889 4.013 17780 9172 1 15 . 1 1 40 40 MET HA H 129 4.534 4.534 4.792 -0.258 17780 9173 1 15 . 1 1 40 40 MET CA C 129 53.516 53.516 53.614 -0.098 17780 9174 1 15 . 1 1 40 40 MET CB C 129 34.851 34.851 37.500 -2.649 17780 9175 1 15 . 1 1 40 40 MET H H 129 9.005 9.005 8.766 0.239 17780 9176 1 15 . 1 1 41 41 LEU N N 130 121.514 121.514 116.303 5.211 17780 9177 1 15 . 1 1 41 41 LEU HA H 130 4.464 4.464 5.142 -0.678 17780 9178 1 15 . 1 1 41 41 LEU CA C 130 53.359 53.359 52.675 0.684 17780 9179 1 15 . 1 1 41 41 LEU CB C 130 43.482 43.482 45.974 -2.492 17780 9180 1 15 . 1 1 41 41 LEU H H 130 8.034 8.034 8.138 -0.104 17780 9181 1 15 . 1 1 42 42 GLY N N 131 114.895 114.895 108.078 6.817 17780 9182 1 15 . 1 1 42 42 GLY CA C 131 44.698 44.698 44.851 -0.153 17780 9183 1 15 . 1 1 42 42 GLY H H 131 9.375 9.375 8.831 0.544 17780 9184 1 15 . 1 1 43 43 SER N N 132 113.692 113.692 117.550 -3.858 17780 9185 1 15 . 1 1 43 43 SER HA H 132 4.429 4.429 4.410 0.019 17780 9186 1 15 . 1 1 43 43 SER CA C 132 58.191 58.191 58.578 -0.387 17780 9187 1 15 . 1 1 43 43 SER CB C 132 63.938 63.938 63.252 0.686 17780 9188 1 15 . 1 1 43 43 SER H H 132 8.345 8.345 8.347 -0.002 17780 9189 1 15 . 1 1 44 44 ALA N N 133 125.505 125.505 122.878 2.627 17780 9190 1 15 . 1 1 44 44 ALA HA H 133 4.437 4.437 4.601 -0.164 17780 9191 1 15 . 1 1 44 44 ALA CA C 133 52.936 52.936 51.798 1.137 17780 9192 1 15 . 1 1 44 44 ALA CB C 133 18.412 18.412 21.373 -2.961 17780 9193 1 15 . 1 1 44 44 ALA H H 133 8.735 8.735 8.063 0.672 17780 9194 1 15 . 1 1 45 45 MET N N 134 120.707 120.707 119.981 0.726 17780 9195 1 15 . 1 1 45 45 MET HA H 134 4.756 4.756 4.911 -0.155 17780 9196 1 15 . 1 1 45 45 MET CA C 134 54.242 54.242 54.784 -0.542 17780 9197 1 15 . 1 1 45 45 MET CB C 134 36.727 36.727 35.147 1.580 17780 9198 1 15 . 1 1 45 45 MET H H 134 8.686 8.686 8.292 0.394 17780 9199 1 15 . 1 1 46 46 SER N N 135 116.235 116.235 116.238 -0.003 17780 9200 1 15 . 1 1 46 46 SER HA H 135 4.375 4.375 4.455 -0.080 17780 9201 1 15 . 1 1 46 46 SER CA C 135 58.410 58.410 58.432 -0.022 17780 9202 1 15 . 1 1 46 46 SER CB C 135 63.016 63.016 63.720 -0.704 17780 9203 1 15 . 1 1 46 46 SER H H 135 8.397 8.397 8.347 0.050 17780 9204 1 15 . 1 1 47 47 ARG N N 136 126.632 126.632 123.796 2.836 17780 9205 1 15 . 1 1 47 47 ARG HA H 136 4.406 4.406 4.689 -0.283 17780 9206 1 15 . 1 1 47 47 ARG CA C 136 54.783 54.783 54.411 0.372 17780 9207 1 15 . 1 1 47 47 ARG CB C 136 29.040 29.040 29.917 -0.877 17780 9208 1 15 . 1 1 47 47 ARG H H 136 8.668 8.668 8.611 0.057 17780 9209 1 15 . 1 1 48 48 PRO HA H 137 4.422 4.422 4.620 -0.198 17780 9210 1 15 . 1 1 48 48 PRO CA C 137 62.327 62.327 62.601 -0.274 17780 9211 1 15 . 1 1 48 48 PRO CB C 137 32.269 32.269 32.725 -0.456 17780 9212 1 15 . 1 1 49 49 ILE N N 138 122.521 122.521 119.936 2.585 17780 9213 1 15 . 1 1 49 49 ILE HA H 138 4.148 4.148 4.148 0.000 17780 9214 1 15 . 1 1 49 49 ILE CA C 138 60.916 60.916 60.560 0.356 17780 9215 1 15 . 1 1 49 49 ILE CB C 138 36.234 36.234 39.211 -2.977 17780 9216 1 15 . 1 1 49 49 ILE H H 138 8.603 8.603 8.100 0.503 17780 9217 1 15 . 1 1 50 50 ILE N N 139 126.683 126.683 125.775 0.908 17780 9218 1 15 . 1 1 50 50 ILE HA H 139 3.927 3.927 3.787 0.140 17780 9219 1 15 . 1 1 50 50 ILE CA C 139 58.700 58.700 58.663 0.036 17780 9220 1 15 . 1 1 50 50 ILE CB C 139 39.345 39.345 40.905 -1.560 17780 9221 1 15 . 1 1 50 50 ILE H H 139 6.514 6.514 8.019 -1.505 17780 9222 1 15 . 1 1 51 51 HIS N N 140 121.997 121.997 122.064 -0.067 17780 9223 1 15 . 1 1 51 51 HIS HA H 140 4.918 4.918 4.469 0.449 17780 9224 1 15 . 1 1 51 51 HIS CA C 140 54.065 54.065 55.178 -1.113 17780 9225 1 15 . 1 1 51 51 HIS CB C 140 29.466 29.466 28.120 1.346 17780 9226 1 15 . 1 1 51 51 HIS H H 140 8.203 8.203 7.473 0.730 17780 9227 1 15 . 1 1 52 52 PHE N N 141 124.334 124.334 124.422 -0.088 17780 9228 1 15 . 1 1 52 52 PHE HA H 141 4.348 4.348 4.468 -0.120 17780 9229 1 15 . 1 1 52 52 PHE CA C 141 59.251 59.251 59.386 -0.135 17780 9230 1 15 . 1 1 52 52 PHE CB C 141 41.448 41.448 39.789 1.659 17780 9231 1 15 . 1 1 52 52 PHE H H 141 10.160 10.160 7.857 2.303 17780 9232 1 15 . 1 1 53 53 GLY N N 142 108.368 108.368 104.704 3.664 17780 9233 1 15 . 1 1 53 53 GLY CA C 142 45.516 45.516 45.149 0.367 17780 9234 1 15 . 1 1 53 53 GLY H H 142 8.984 8.984 8.090 0.894 17780 9235 1 15 . 1 1 54 54 SER N N 143 111.819 111.819 114.370 -2.551 17780 9236 1 15 . 1 1 54 54 SER HA H 143 4.810 4.810 4.612 0.198 17780 9237 1 15 . 1 1 54 54 SER CA C 143 56.498 56.498 57.176 -0.678 17780 9238 1 15 . 1 1 54 54 SER CB C 143 65.964 65.964 64.594 1.370 17780 9239 1 15 . 1 1 54 54 SER H H 143 7.334 7.334 7.675 -0.341 17780 9240 1 15 . 1 1 55 55 ASP N N 144 124.249 124.249 122.558 1.691 17780 9241 1 15 . 1 1 55 55 ASP HA H 144 4.500 4.500 4.566 -0.066 17780 9242 1 15 . 1 1 55 55 ASP CA C 144 57.493 57.493 57.031 0.462 17780 9243 1 15 . 1 1 55 55 ASP CB C 144 40.664 40.664 40.725 -0.061 17780 9244 1 15 . 1 1 55 55 ASP H H 144 9.014 9.014 8.691 0.323 17780 9245 1 15 . 1 1 56 56 TYR N N 145 118.991 118.991 115.748 3.243 17780 9246 1 15 . 1 1 56 56 TYR HA H 145 4.196 4.196 4.404 -0.208 17780 9247 1 15 . 1 1 56 56 TYR CA C 145 61.351 61.351 59.447 1.904 17780 9248 1 15 . 1 1 56 56 TYR CB C 145 38.075 38.075 36.952 1.123 17780 9249 1 15 . 1 1 56 56 TYR H H 145 8.551 8.551 7.692 0.859 17780 9250 1 15 . 1 1 57 57 GLU N N 146 119.217 119.217 120.450 -1.233 17780 9251 1 15 . 1 1 57 57 GLU HA H 146 3.563 3.563 4.397 -0.834 17780 9252 1 15 . 1 1 57 57 GLU CA C 146 59.921 59.921 59.234 0.687 17780 9253 1 15 . 1 1 57 57 GLU CB C 146 30.297 30.297 29.676 0.621 17780 9254 1 15 . 1 1 57 57 GLU H H 146 7.741 7.741 7.486 0.255 17780 9255 1 15 . 1 1 58 58 ASP N N 147 119.565 119.565 120.231 -0.666 17780 9256 1 15 . 1 1 58 58 ASP HA H 147 4.498 4.498 4.621 -0.123 17780 9257 1 15 . 1 1 58 58 ASP CA C 147 58.185 58.185 57.434 0.751 17780 9258 1 15 . 1 1 58 58 ASP CB C 147 40.598 40.598 41.111 -0.513 17780 9259 1 15 . 1 1 58 58 ASP H H 147 8.139 8.139 8.360 -0.221 17780 9260 1 15 . 1 1 59 59 ARG N N 148 120.296 120.296 118.317 1.979 17780 9261 1 15 . 1 1 59 59 ARG HA H 148 4.004 4.004 4.137 -0.133 17780 9262 1 15 . 1 1 59 59 ARG CA C 148 59.393 59.393 58.635 0.758 17780 9263 1 15 . 1 1 59 59 ARG CB C 148 29.910 29.910 29.878 0.032 17780 9264 1 15 . 1 1 59 59 ARG H H 148 8.181 8.181 7.768 0.413 17780 9265 1 15 . 1 1 60 60 TYR N N 149 121.152 121.152 122.292 -1.140 17780 9266 1 15 . 1 1 60 60 TYR HA H 149 3.819 3.819 4.441 -0.623 17780 9267 1 15 . 1 1 60 60 TYR CA C 149 62.195 62.195 59.329 2.866 17780 9268 1 15 . 1 1 60 60 TYR CB C 149 37.808 37.808 38.248 -0.440 17780 9269 1 15 . 1 1 60 60 TYR H H 149 8.333 8.333 7.636 0.697 17780 9270 1 15 . 1 1 61 61 TYR N N 150 120.365 120.365 120.921 -0.556 17780 9271 1 15 . 1 1 61 61 TYR HA H 150 4.122 4.122 3.440 0.682 17780 9272 1 15 . 1 1 61 61 TYR CA C 150 62.969 62.969 60.795 2.174 17780 9273 1 15 . 1 1 61 61 TYR CB C 150 38.207 38.207 37.975 0.232 17780 9274 1 15 . 1 1 61 61 TYR H H 150 8.942 8.942 8.100 0.842 17780 9275 1 15 . 1 1 62 62 ARG N N 151 117.982 117.982 116.319 1.663 17780 9276 1 15 . 1 1 62 62 ARG HA H 151 3.938 3.938 3.494 0.444 17780 9277 1 15 . 1 1 62 62 ARG CA C 151 59.940 59.940 58.441 1.498 17780 9278 1 15 . 1 1 62 62 ARG CB C 151 29.731 29.731 29.629 0.102 17780 9279 1 15 . 1 1 62 62 ARG H H 151 7.938 7.938 7.475 0.463 17780 9280 1 15 . 1 1 63 63 GLU N N 152 116.389 116.389 118.386 -1.997 17780 9281 1 15 . 1 1 63 63 GLU HA H 152 4.059 4.059 3.965 0.094 17780 9282 1 15 . 1 1 63 63 GLU CA C 152 57.990 57.990 59.037 -1.047 17780 9283 1 15 . 1 1 63 63 GLU CB C 152 29.915 29.915 29.273 0.642 17780 9284 1 15 . 1 1 63 63 GLU H H 152 8.068 8.068 7.654 0.414 17780 9285 1 15 . 1 1 64 64 ASN N N 153 114.690 114.690 116.417 -1.727 17780 9286 1 15 . 1 1 64 64 ASN HA H 153 4.406 4.406 4.339 0.067 17780 9287 1 15 . 1 1 64 64 ASN CA C 153 54.814 54.814 53.736 1.078 17780 9288 1 15 . 1 1 64 64 ASN CB C 153 41.178 41.178 37.450 3.728 17780 9289 1 15 . 1 1 64 64 ASN H H 153 7.525 7.525 8.068 -0.543 17780 9290 1 15 . 1 1 65 65 MET N N 154 119.058 119.058 121.010 -1.952 17780 9291 1 15 . 1 1 65 65 MET HA H 154 3.417 3.417 3.481 -0.064 17780 9292 1 15 . 1 1 65 65 MET CA C 154 59.193 59.193 58.438 0.756 17780 9293 1 15 . 1 1 65 65 MET CB C 154 30.258 30.258 31.726 -1.468 17780 9294 1 15 . 1 1 65 65 MET H H 154 7.993 7.993 7.271 0.722 17780 9295 1 15 . 1 1 66 66 HIS N N 155 116.083 116.083 118.420 -2.337 17780 9296 1 15 . 1 1 66 66 HIS HA H 155 4.208 4.208 4.236 -0.028 17780 9297 1 15 . 1 1 66 66 HIS CA C 155 57.382 57.382 59.663 -2.281 17780 9298 1 15 . 1 1 66 66 HIS CB C 155 28.955 28.955 29.905 -0.950 17780 9299 1 15 . 1 1 66 66 HIS H H 155 7.988 7.988 7.569 0.419 17780 9300 1 15 . 1 1 67 67 ARG N N 156 118.993 118.993 117.076 1.917 17780 9301 1 15 . 1 1 67 67 ARG HA H 156 4.133 4.133 4.333 -0.200 17780 9302 1 15 . 1 1 67 67 ARG CA C 156 56.135 56.135 56.925 -0.790 17780 9303 1 15 . 1 1 67 67 ARG CB C 156 30.521 30.521 30.346 0.175 17780 9304 1 15 . 1 1 67 67 ARG H H 156 7.488 7.488 7.476 0.012 17780 9305 1 15 . 1 1 68 68 TYR N N 157 121.321 121.321 119.535 1.786 17780 9306 1 15 . 1 1 68 68 TYR HA H 157 4.991 4.991 4.820 0.171 17780 9307 1 15 . 1 1 68 68 TYR CA C 157 52.644 52.644 53.995 -1.351 17780 9308 1 15 . 1 1 68 68 TYR CB C 157 34.873 34.873 37.594 -2.721 17780 9309 1 15 . 1 1 68 68 TYR H H 157 7.433 7.433 7.433 0.000 17780 9310 1 15 . 1 1 69 69 PRO HA H 158 4.338 4.338 4.432 -0.094 17780 9311 1 15 . 1 1 69 69 PRO CA C 158 63.651 63.651 62.805 0.846 17780 9312 1 15 . 1 1 69 69 PRO CB C 158 32.005 32.005 33.101 -1.096 17780 9313 1 15 . 1 1 70 70 ASN N N 159 116.696 116.696 116.565 0.131 17780 9314 1 15 . 1 1 70 70 ASN HA H 159 4.690 4.690 4.698 -0.008 17780 9315 1 15 . 1 1 70 70 ASN CA C 159 51.997 51.997 52.868 -0.871 17780 9316 1 15 . 1 1 70 70 ASN CB C 159 38.375 38.375 39.271 -0.896 17780 9317 1 15 . 1 1 70 70 ASN H H 159 8.673 8.673 8.630 0.043 17780 9318 1 15 . 1 1 71 71 GLN N N 160 114.313 114.313 117.507 -3.194 17780 9319 1 15 . 1 1 71 71 GLN HA H 160 4.523 4.523 4.649 -0.126 17780 9320 1 15 . 1 1 71 71 GLN CA C 160 54.286 54.286 54.656 -0.369 17780 9321 1 15 . 1 1 71 71 GLN CB C 160 32.975 32.975 32.508 0.467 17780 9322 1 15 . 1 1 71 71 GLN H H 160 7.319 7.319 7.662 -0.343 17780 9323 1 15 . 1 1 72 72 VAL N N 161 112.569 112.569 114.408 -1.839 17780 9324 1 15 . 1 1 72 72 VAL HA H 161 4.927 4.927 4.502 0.425 17780 9325 1 15 . 1 1 72 72 VAL CA C 161 58.651 58.651 60.201 -1.550 17780 9326 1 15 . 1 1 72 72 VAL CB C 161 33.812 33.812 34.673 -0.861 17780 9327 1 15 . 1 1 72 72 VAL H H 161 8.477 8.477 8.077 0.400 17780 9328 1 15 . 1 1 73 73 TYR N N 162 121.525 121.525 123.766 -2.241 17780 9329 1 15 . 1 1 73 73 TYR HA H 162 5.507 5.507 5.312 0.195 17780 9330 1 15 . 1 1 73 73 TYR CA C 162 57.133 57.133 55.861 1.272 17780 9331 1 15 . 1 1 73 73 TYR CB C 162 41.970 41.970 41.521 0.449 17780 9332 1 15 . 1 1 73 73 TYR H H 162 8.490 8.490 8.687 -0.197 17780 9333 1 15 . 1 1 74 74 TYR N N 163 111.081 111.081 120.238 -9.157 17780 9334 1 15 . 1 1 74 74 TYR HA H 163 4.758 4.758 5.177 -0.419 17780 9335 1 15 . 1 1 74 74 TYR CA C 163 55.367 55.367 56.446 -1.079 17780 9336 1 15 . 1 1 74 74 TYR CB C 163 40.401 40.401 40.472 -0.071 17780 9337 1 15 . 1 1 74 74 TYR H H 163 8.593 8.593 8.532 0.061 17780 9338 1 15 . 1 1 76 76 PRO HA H 165 4.490 4.490 4.411 0.079 17780 9339 1 15 . 1 1 76 76 PRO CA C 165 62.967 62.967 63.572 -0.605 17780 9340 1 15 . 1 1 76 76 PRO CB C 165 32.372 32.372 32.127 0.245 17780 9341 1 15 . 1 1 77 77 MET N N 166 121.408 121.408 112.610 8.798 17780 9342 1 15 . 1 1 77 77 MET HA H 166 4.438 4.438 3.942 0.496 17780 9343 1 15 . 1 1 77 77 MET CA C 166 57.081 57.081 55.550 1.531 17780 9344 1 15 . 1 1 77 77 MET CB C 166 32.165 32.165 31.669 0.496 17780 9345 1 15 . 1 1 77 77 MET H H 166 9.013 9.013 8.439 0.574 17780 9346 1 15 . 1 1 78 78 ASP N N 167 119.933 119.933 121.201 -1.268 17780 9347 1 15 . 1 1 78 78 ASP HA H 167 4.754 4.754 4.566 0.188 17780 9348 1 15 . 1 1 78 78 ASP CA C 167 52.485 52.485 54.330 -1.845 17780 9349 1 15 . 1 1 78 78 ASP CB C 167 38.802 38.802 40.296 -1.494 17780 9350 1 15 . 1 1 78 78 ASP H H 167 8.176 8.176 8.167 0.009 17780 9351 1 15 . 1 1 79 79 GLU N N 168 116.934 116.934 122.096 -5.162 17780 9352 1 15 . 1 1 79 79 GLU HA H 168 4.308 4.308 3.821 0.487 17780 9353 1 15 . 1 1 79 79 GLU CA C 168 58.638 58.638 57.748 0.890 17780 9354 1 15 . 1 1 79 79 GLU CB C 168 29.185 29.185 29.363 -0.178 17780 9355 1 15 . 1 1 79 79 GLU H H 168 8.332 8.332 8.106 0.226 17780 9356 1 15 . 1 1 81 81 SER N N 170 116.603 116.603 113.400 3.203 17780 9357 1 15 . 1 1 81 81 SER HA H 170 4.374 4.374 4.079 0.295 17780 9358 1 15 . 1 1 81 81 SER CA C 170 58.475 58.475 59.436 -0.961 17780 9359 1 15 . 1 1 81 81 SER CB C 170 63.677 63.677 63.637 0.040 17780 9360 1 15 . 1 1 81 81 SER H H 170 8.560 8.560 7.049 1.511 17780 9361 1 15 . 1 1 83 83 GLN N N 172 120.404 120.404 116.686 3.718 17780 9362 1 15 . 1 1 83 83 GLN HA H 172 4.750 4.750 4.574 0.176 17780 9363 1 15 . 1 1 83 83 GLN CA C 172 59.899 59.899 55.140 4.759 17780 9364 1 15 . 1 1 83 83 GLN CB C 172 29.023 29.023 30.191 -1.168 17780 9365 1 15 . 1 1 83 83 GLN H H 172 8.635 8.635 7.847 0.788 17780 9366 1 15 . 1 1 84 84 ASN N N 173 116.470 116.470 120.800 -4.330 17780 9367 1 15 . 1 1 84 84 ASN HA H 173 4.237 4.237 4.336 -0.099 17780 9368 1 15 . 1 1 84 84 ASN CA C 173 56.470 56.470 55.643 0.827 17780 9369 1 15 . 1 1 84 84 ASN CB C 173 37.812 37.812 38.460 -0.648 17780 9370 1 15 . 1 1 84 84 ASN H H 173 8.352 8.352 8.893 -0.541 17780 9371 1 15 . 1 1 85 85 ASN N N 174 118.500 118.500 118.562 -0.062 17780 9372 1 15 . 1 1 85 85 ASN HA H 174 4.534 4.534 4.646 -0.112 17780 9373 1 15 . 1 1 85 85 ASN CA C 174 55.905 55.905 55.314 0.591 17780 9374 1 15 . 1 1 85 85 ASN CB C 174 37.760 37.760 38.126 -0.366 17780 9375 1 15 . 1 1 85 85 ASN H H 174 8.602 8.602 8.465 0.137 17780 9376 1 15 . 1 1 86 86 PHE CB C 175 39.641 39.641 38.103 1.538 17780 9377 1 15 . 1 1 87 87 VAL N N 176 120.134 120.134 121.179 -1.045 17780 9378 1 15 . 1 1 87 87 VAL HA H 176 3.564 3.564 2.629 0.935 17780 9379 1 15 . 1 1 87 87 VAL CA C 176 67.737 67.737 65.766 1.971 17780 9380 1 15 . 1 1 87 87 VAL CB C 176 31.951 31.951 30.890 1.061 17780 9381 1 15 . 1 1 87 87 VAL H H 176 9.002 9.002 7.545 1.457 17780 9382 1 15 . 1 1 88 88 HIS N N 177 117.217 117.217 117.776 -0.559 17780 9383 1 15 . 1 1 88 88 HIS HA H 177 4.304 4.304 4.209 0.095 17780 9384 1 15 . 1 1 88 88 HIS CA C 177 59.781 59.781 60.219 -0.438 17780 9385 1 15 . 1 1 88 88 HIS CB C 177 28.264 28.264 29.745 -1.481 17780 9386 1 15 . 1 1 88 88 HIS H H 177 8.330 8.330 7.993 0.337 17780 9387 1 15 . 1 1 89 89 ASP N N 178 118.497 118.497 118.346 0.151 17780 9388 1 15 . 1 1 89 89 ASP HA H 178 4.500 4.500 4.537 -0.037 17780 9389 1 15 . 1 1 89 89 ASP CA C 178 57.423 57.423 56.438 0.985 17780 9390 1 15 . 1 1 89 89 ASP CB C 178 41.792 41.792 40.721 1.071 17780 9391 1 15 . 1 1 89 89 ASP H H 178 7.696 7.696 7.811 -0.115 17780 9392 1 15 . 1 1 90 90 CYS N N 179 119.012 119.012 120.657 -1.645 17780 9393 1 15 . 1 1 90 90 CYS HA H 179 4.753 4.753 4.334 0.419 17780 9394 1 15 . 1 1 90 90 CYS CA C 179 58.466 58.466 62.107 -3.641 17780 9395 1 15 . 1 1 90 90 CYS CB C 179 40.758 40.758 25.825 14.933 17780 9396 1 15 . 1 1 90 90 CYS H H 179 8.037 8.037 7.871 0.166 17780 9397 1 15 . 1 1 91 91 VAL N N 180 125.063 125.063 120.886 4.177 17780 9398 1 15 . 1 1 91 91 VAL HA H 180 3.667 3.667 3.529 0.138 17780 9399 1 15 . 1 1 91 91 VAL CA C 180 66.293 66.293 66.489 -0.196 17780 9400 1 15 . 1 1 91 91 VAL CB C 180 32.028 32.028 31.699 0.329 17780 9401 1 15 . 1 1 91 91 VAL H H 180 9.212 9.212 8.482 0.730 17780 9402 1 15 . 1 1 92 92 ASN N N 181 116.153 116.153 118.854 -2.701 17780 9403 1 15 . 1 1 92 92 ASN HA H 181 4.311 4.311 4.430 -0.119 17780 9404 1 15 . 1 1 92 92 ASN CA C 181 56.622 56.622 56.316 0.306 17780 9405 1 15 . 1 1 92 92 ASN CB C 181 38.749 38.749 38.203 0.546 17780 9406 1 15 . 1 1 92 92 ASN H H 181 7.626 7.626 7.557 0.069 17780 9407 1 15 . 1 1 93 93 ILE N N 182 118.637 118.637 119.993 -1.356 17780 9408 1 15 . 1 1 93 93 ILE HA H 182 3.787 3.787 3.738 0.049 17780 9409 1 15 . 1 1 93 93 ILE CA C 182 62.078 62.078 64.076 -1.998 17780 9410 1 15 . 1 1 93 93 ILE CB C 182 36.535 36.535 36.497 0.038 17780 9411 1 15 . 1 1 93 93 ILE H H 182 8.610 8.610 8.564 0.046 17780 9412 1 15 . 1 1 94 94 THR N N 183 118.229 118.229 117.938 0.291 17780 9413 1 15 . 1 1 94 94 THR HA H 183 4.097 4.097 4.031 0.066 17780 9414 1 15 . 1 1 94 94 THR CA C 183 68.834 68.834 67.537 1.297 17780 9415 1 15 . 1 1 94 94 THR CB C 183 68.258 68.258 68.550 -0.292 17780 9416 1 15 . 1 1 94 94 THR H H 183 8.140 8.140 8.355 -0.215 17780 9417 1 15 . 1 1 95 95 ILE N N 184 120.906 120.906 121.501 -0.595 17780 9418 1 15 . 1 1 95 95 ILE HA H 184 3.666 3.666 3.906 -0.240 17780 9419 1 15 . 1 1 95 95 ILE CA C 184 66.259 66.259 63.066 3.193 17780 9420 1 15 . 1 1 95 95 ILE CB C 184 36.824 36.824 37.825 -1.002 17780 9421 1 15 . 1 1 95 95 ILE H H 184 8.450 8.450 7.873 0.577 17780 9422 1 15 . 1 1 96 96 LYS N N 185 123.208 123.208 121.405 1.803 17780 9423 1 15 . 1 1 96 96 LYS HA H 185 4.067 4.067 3.865 0.202 17780 9424 1 15 . 1 1 96 96 LYS CA C 185 59.987 59.987 60.172 -0.185 17780 9425 1 15 . 1 1 96 96 LYS CB C 185 32.119 32.119 32.144 -0.025 17780 9426 1 15 . 1 1 96 96 LYS H H 185 8.067 8.067 8.262 -0.195 17780 9427 1 15 . 1 1 97 97 GLN N N 186 116.879 116.879 118.379 -1.500 17780 9428 1 15 . 1 1 97 97 GLN HA H 186 4.059 4.059 3.983 0.076 17780 9429 1 15 . 1 1 97 97 GLN CA C 186 58.010 58.010 58.855 -0.845 17780 9430 1 15 . 1 1 97 97 GLN CB C 186 27.982 27.982 28.259 -0.277 17780 9431 1 15 . 1 1 97 97 GLN H H 186 8.493 8.493 8.290 0.203 17780 9432 1 15 . 1 1 98 98 HIS N N 187 119.676 119.676 120.800 -1.124 17780 9433 1 15 . 1 1 98 98 HIS HA H 187 4.579 4.579 4.392 0.187 17780 9434 1 15 . 1 1 98 98 HIS CA C 187 59.465 59.465 59.437 0.028 17780 9435 1 15 . 1 1 98 98 HIS CB C 187 31.628 31.628 29.746 1.882 17780 9436 1 15 . 1 1 98 98 HIS H H 187 8.435 8.435 7.770 0.665 17780 9437 1 15 . 1 1 99 99 THR N N 188 114.500 114.500 115.928 -1.428 17780 9438 1 15 . 1 1 99 99 THR HA H 188 4.090 4.090 3.829 0.261 17780 9439 1 15 . 1 1 99 99 THR CA C 188 66.210 66.210 65.314 0.896 17780 9440 1 15 . 1 1 99 99 THR CB C 188 68.800 68.800 68.444 0.356 17780 9441 1 15 . 1 1 99 99 THR H H 188 8.440 8.440 8.418 0.022 17780 9442 1 15 . 1 1 100 100 VAL N N 189 122.934 122.934 120.815 2.119 17780 9443 1 15 . 1 1 100 100 VAL HA H 189 3.838 3.838 3.826 0.012 17780 9444 1 15 . 1 1 100 100 VAL CA C 189 65.832 65.832 65.392 0.440 17780 9445 1 15 . 1 1 100 100 VAL CB C 189 31.897 31.897 31.483 0.414 17780 9446 1 15 . 1 1 100 100 VAL H H 189 8.057 8.057 7.906 0.151 17780 9447 1 15 . 1 1 101 101 THR N N 190 115.101 115.101 112.982 2.119 17780 9448 1 15 . 1 1 101 101 THR HA H 190 4.140 4.140 4.094 0.046 17780 9449 1 15 . 1 1 101 101 THR CA C 190 64.907 64.907 65.995 -1.088 17780 9450 1 15 . 1 1 101 101 THR CB C 190 69.041 69.041 68.156 0.885 17780 9451 1 15 . 1 1 101 101 THR H H 190 8.131 8.131 7.709 0.422 17780 9452 1 15 . 1 1 102 102 THR N N 191 114.546 114.546 119.547 -5.001 17780 9453 1 15 . 1 1 102 102 THR HA H 191 4.092 4.092 3.776 0.316 17780 9454 1 15 . 1 1 102 102 THR CA C 191 64.801 64.801 66.994 -2.193 17780 9455 1 15 . 1 1 102 102 THR CB C 191 69.145 69.145 68.364 0.781 17780 9456 1 15 . 1 1 102 102 THR H H 191 8.011 8.011 7.574 0.437 17780 9457 1 15 . 1 1 103 103 THR N N 192 117.876 117.876 113.737 4.139 17780 9458 1 15 . 1 1 103 103 THR HA H 192 4.373 4.373 4.657 -0.284 17780 9459 1 15 . 1 1 103 103 THR CA C 192 64.935 64.935 64.935 0.000 17780 9460 1 15 . 1 1 103 103 THR CB C 192 69.043 69.043 68.560 0.483 17780 9461 1 15 . 1 1 103 103 THR H H 192 8.224 8.224 7.621 0.603 17780 9462 1 15 . 1 1 104 104 THR N N 193 116.232 116.232 118.430 -2.198 17780 9463 1 15 . 1 1 104 104 THR HA H 193 4.204 4.204 4.109 0.095 17780 9464 1 15 . 1 1 104 104 THR CA C 193 64.311 64.311 65.918 -1.607 17780 9465 1 15 . 1 1 104 104 THR CB C 193 68.981 68.981 68.636 0.345 17780 9466 1 15 . 1 1 104 104 THR H H 193 7.805 7.805 7.602 0.203 17780 9467 1 15 . 1 1 105 105 LYS N N 194 119.843 119.843 118.834 1.009 17780 9468 1 15 . 1 1 105 105 LYS HA H 194 4.384 4.384 4.426 -0.042 17780 9469 1 15 . 1 1 105 105 LYS CA C 194 56.220 56.220 55.222 0.998 17780 9470 1 15 . 1 1 105 105 LYS CB C 194 32.527 32.527 32.448 0.079 17780 9471 1 15 . 1 1 105 105 LYS H H 194 7.504 7.504 7.566 -0.062 17780 9472 1 15 . 1 1 106 106 GLY N N 195 107.946 107.946 107.812 0.134 17780 9473 1 15 . 1 1 106 106 GLY CA C 195 45.431 45.431 45.322 0.109 17780 9474 1 15 . 1 1 106 106 GLY H H 195 7.924 7.924 7.715 0.209 17780 9475 1 15 . 1 1 107 107 GLU N N 196 120.063 120.063 120.065 -0.002 17780 9476 1 15 . 1 1 107 107 GLU HA H 196 4.255 4.255 4.619 -0.364 17780 9477 1 15 . 1 1 107 107 GLU CA C 196 55.597 55.597 54.995 0.602 17780 9478 1 15 . 1 1 107 107 GLU CB C 196 31.073 31.073 32.442 -1.369 17780 9479 1 15 . 1 1 107 107 GLU H H 196 7.465 7.465 8.124 -0.659 17780 9480 1 15 . 1 1 108 108 ASN N N 197 119.350 119.350 119.432 -0.082 17780 9481 1 15 . 1 1 108 108 ASN HA H 197 4.657 4.657 5.040 -0.383 17780 9482 1 15 . 1 1 108 108 ASN CA C 197 52.673 52.673 53.089 -0.416 17780 9483 1 15 . 1 1 108 108 ASN CB C 197 40.827 40.827 39.896 0.931 17780 9484 1 15 . 1 1 108 108 ASN H H 197 8.458 8.458 8.667 -0.209 17780 9485 1 15 . 1 1 109 109 PHE N N 198 121.688 121.688 121.961 -0.273 17780 9486 1 15 . 1 1 109 109 PHE HA H 198 5.317 5.317 4.776 0.541 17780 9487 1 15 . 1 1 109 109 PHE CA C 198 56.571 56.571 56.456 0.115 17780 9488 1 15 . 1 1 109 109 PHE CB C 198 40.093 40.093 42.537 -2.444 17780 9489 1 15 . 1 1 109 109 PHE H H 198 8.709 8.709 8.732 -0.023 17780 9490 1 15 . 1 1 110 110 THR N N 199 115.904 115.904 115.319 0.585 17780 9491 1 15 . 1 1 110 110 THR HA H 199 4.624 4.624 4.656 -0.032 17780 9492 1 15 . 1 1 110 110 THR CA C 199 60.343 60.343 61.312 -0.969 17780 9493 1 15 . 1 1 110 110 THR CB C 199 72.033 72.033 70.598 1.435 17780 9494 1 15 . 1 1 110 110 THR H H 199 9.547 9.547 8.995 0.552 17780 9495 1 15 . 1 1 111 111 GLU N N 200 119.988 119.988 120.615 -0.627 17780 9496 1 15 . 1 1 111 111 GLU HA H 200 4.067 4.067 4.060 0.007 17780 9497 1 15 . 1 1 111 111 GLU CA C 200 60.027 60.027 59.698 0.329 17780 9498 1 15 . 1 1 111 111 GLU CB C 200 28.976 28.976 28.658 0.318 17780 9499 1 15 . 1 1 111 111 GLU H H 200 9.132 9.132 9.034 0.098 17780 9500 1 15 . 1 1 112 112 THR N N 201 116.221 116.221 116.478 -0.257 17780 9501 1 15 . 1 1 112 112 THR HA H 201 3.796 3.796 4.091 -0.295 17780 9502 1 15 . 1 1 112 112 THR CA C 201 66.781 66.781 67.072 -0.291 17780 9503 1 15 . 1 1 112 112 THR CB C 201 68.581 68.581 68.252 0.329 17780 9504 1 15 . 1 1 112 112 THR H H 201 7.934 7.934 8.184 -0.250 17780 9505 1 15 . 1 1 113 113 ASP N N 202 120.001 120.001 122.774 -2.773 17780 9506 1 15 . 1 1 113 113 ASP HA H 202 4.598 4.598 4.578 0.020 17780 9507 1 15 . 1 1 113 113 ASP CA C 202 57.984 57.984 58.096 -0.112 17780 9508 1 15 . 1 1 113 113 ASP CB C 202 41.756 41.756 41.035 0.721 17780 9509 1 15 . 1 1 113 113 ASP H H 202 7.503 7.503 8.107 -0.604 17780 9510 1 15 . 1 1 114 114 VAL N N 203 119.529 119.529 119.846 -0.317 17780 9511 1 15 . 1 1 114 114 VAL HA H 203 3.279 3.279 3.633 -0.354 17780 9512 1 15 . 1 1 114 114 VAL CA C 203 67.817 67.817 66.588 1.229 17780 9513 1 15 . 1 1 114 114 VAL CB C 203 31.528 31.528 31.646 -0.118 17780 9514 1 15 . 1 1 114 114 VAL H H 203 8.209 8.209 7.743 0.466 17780 9515 1 15 . 1 1 115 115 LYS N N 204 119.051 119.051 120.644 -1.593 17780 9516 1 15 . 1 1 115 115 LYS HA H 204 4.082 4.082 4.324 -0.242 17780 9517 1 15 . 1 1 115 115 LYS CA C 204 59.268 59.268 59.296 -0.028 17780 9518 1 15 . 1 1 115 115 LYS CB C 204 31.979 31.979 32.610 -0.631 17780 9519 1 15 . 1 1 115 115 LYS H H 204 7.714 7.714 8.277 -0.563 17780 9520 1 15 . 1 1 116 116 MET N N 205 118.581 118.581 117.752 0.829 17780 9521 1 15 . 1 1 116 116 MET HA H 205 4.167 4.167 4.564 -0.397 17780 9522 1 15 . 1 1 116 116 MET CA C 205 59.984 59.984 58.927 1.057 17780 9523 1 15 . 1 1 116 116 MET CB C 205 32.933 32.933 33.002 -0.069 17780 9524 1 15 . 1 1 116 116 MET H H 205 8.182 8.182 8.396 -0.214 17780 9525 1 15 . 1 1 117 117 MET N N 206 118.259 118.259 118.567 -0.308 17780 9526 1 15 . 1 1 117 117 MET HA H 206 3.561 3.561 4.098 -0.537 17780 9527 1 15 . 1 1 117 117 MET CA C 206 59.967 59.967 58.452 1.515 17780 9528 1 15 . 1 1 117 117 MET CB C 206 33.824 33.824 31.680 2.144 17780 9529 1 15 . 1 1 117 117 MET H H 206 8.691 8.691 8.082 0.609 17780 9530 1 15 . 1 1 118 118 GLU N N 207 118.878 118.878 120.181 -1.303 17780 9531 1 15 . 1 1 118 118 GLU HA H 207 3.658 3.658 3.900 -0.242 17780 9532 1 15 . 1 1 118 118 GLU CA C 207 60.702 60.702 59.483 1.219 17780 9533 1 15 . 1 1 118 118 GLU CB C 207 29.000 29.000 29.310 -0.310 17780 9534 1 15 . 1 1 118 118 GLU H H 207 8.544 8.544 8.087 0.457 17780 9535 1 15 . 1 1 119 119 ARG N N 208 116.694 116.694 117.623 -0.929 17780 9536 1 15 . 1 1 119 119 ARG HA H 208 4.228 4.228 4.052 0.176 17780 9537 1 15 . 1 1 119 119 ARG CA C 208 58.554 58.554 59.013 -0.459 17780 9538 1 15 . 1 1 119 119 ARG CB C 208 30.136 30.136 29.928 0.208 17780 9539 1 15 . 1 1 119 119 ARG H H 208 7.289 7.289 7.731 -0.442 17780 9540 1 15 . 1 1 120 120 VAL N N 209 119.035 119.035 116.398 2.637 17780 9541 1 15 . 1 1 120 120 VAL HA H 209 3.837 3.837 4.096 -0.259 17780 9542 1 15 . 1 1 120 120 VAL CA C 209 65.766 65.766 65.367 0.399 17780 9543 1 15 . 1 1 120 120 VAL CB C 209 32.213 32.213 31.676 0.537 17780 9544 1 15 . 1 1 120 120 VAL H H 209 8.279 8.279 7.459 0.820 17780 9545 1 15 . 1 1 121 121 VAL N N 210 121.668 121.668 116.620 5.048 17780 9546 1 15 . 1 1 121 121 VAL HA H 210 3.597 3.597 3.818 -0.221 17780 9547 1 15 . 1 1 121 121 VAL CA C 210 66.639 66.639 65.517 1.122 17780 9548 1 15 . 1 1 121 121 VAL CB C 210 31.097 31.097 30.395 0.702 17780 9549 1 15 . 1 1 121 121 VAL H H 210 9.183 9.183 7.632 1.551 17780 9550 1 15 . 1 1 122 122 GLU N N 211 120.770 120.770 120.741 0.029 17780 9551 1 15 . 1 1 122 122 GLU HA H 211 3.603 3.603 3.860 -0.257 17780 9552 1 15 . 1 1 122 122 GLU CA C 211 61.132 61.132 60.066 1.066 17780 9553 1 15 . 1 1 122 122 GLU CB C 211 29.153 29.153 29.029 0.124 17780 9554 1 15 . 1 1 122 122 GLU H H 211 8.041 8.041 7.612 0.429 17780 9555 1 15 . 1 1 123 123 GLN N N 212 114.580 114.580 117.356 -2.776 17780 9556 1 15 . 1 1 123 123 GLN HA H 212 3.662 3.662 4.108 -0.446 17780 9557 1 15 . 1 1 123 123 GLN CA C 212 58.509 58.509 57.672 0.837 17780 9558 1 15 . 1 1 123 123 GLN CB C 212 27.824 27.824 28.238 -0.414 17780 9559 1 15 . 1 1 123 123 GLN H H 212 7.096 7.096 7.729 -0.633 17780 9560 1 15 . 1 1 124 124 MET N N 213 119.748 119.748 121.048 -1.300 17780 9561 1 15 . 1 1 124 124 MET HA H 213 4.167 4.167 4.237 -0.070 17780 9562 1 15 . 1 1 124 124 MET CA C 213 59.928 59.928 59.087 0.841 17780 9563 1 15 . 1 1 124 124 MET CB C 213 34.529 34.529 32.628 1.901 17780 9564 1 15 . 1 1 124 124 MET H H 213 8.145 8.145 7.711 0.434 17780 9565 1 15 . 1 1 125 125 CYS N N 214 119.538 119.538 119.290 0.248 17780 9566 1 15 . 1 1 125 125 CYS HA H 214 4.427 4.427 4.235 0.192 17780 9567 1 15 . 1 1 125 125 CYS CA C 214 59.838 59.838 62.425 -2.587 17780 9568 1 15 . 1 1 125 125 CYS CB C 214 41.798 41.798 25.627 16.171 17780 9569 1 15 . 1 1 125 125 CYS H H 214 9.275 9.275 8.092 1.183 17780 9570 1 15 . 1 1 126 126 ILE N N 215 123.982 123.982 120.905 3.077 17780 9571 1 15 . 1 1 126 126 ILE HA H 215 3.579 3.579 3.833 -0.254 17780 9572 1 15 . 1 1 126 126 ILE CA C 215 66.649 66.649 65.539 1.110 17780 9573 1 15 . 1 1 126 126 ILE CB C 215 38.152 38.152 37.871 0.281 17780 9574 1 15 . 1 1 126 126 ILE H H 215 8.434 8.434 7.789 0.645 17780 9575 1 15 . 1 1 127 127 THR N N 216 118.728 118.728 116.352 2.376 17780 9576 1 15 . 1 1 127 127 THR HA H 216 3.835 3.835 3.950 -0.115 17780 9577 1 15 . 1 1 127 127 THR CA C 216 67.425 67.425 67.035 0.390 17780 9578 1 15 . 1 1 127 127 THR CB C 216 68.035 68.035 68.231 -0.196 17780 9579 1 15 . 1 1 127 127 THR H H 216 8.097 8.097 8.112 -0.015 17780 9580 1 15 . 1 1 128 128 GLN N N 217 122.368 122.368 120.734 1.634 17780 9581 1 15 . 1 1 128 128 GLN HA H 217 3.662 3.662 4.194 -0.532 17780 9582 1 15 . 1 1 128 128 GLN CA C 217 58.462 58.462 58.471 -0.009 17780 9583 1 15 . 1 1 128 128 GLN CB C 217 28.075 28.075 28.370 -0.295 17780 9584 1 15 . 1 1 128 128 GLN H H 217 8.637 8.637 7.785 0.852 17780 9585 1 15 . 1 1 129 129 TYR N N 218 121.512 121.512 122.860 -1.348 17780 9586 1 15 . 1 1 129 129 TYR HA H 218 2.929 2.929 4.091 -1.162 17780 9587 1 15 . 1 1 129 129 TYR CA C 218 61.904 61.904 60.608 1.296 17780 9588 1 15 . 1 1 129 129 TYR CB C 218 37.075 37.075 38.382 -1.307 17780 9589 1 15 . 1 1 129 129 TYR H H 218 8.705 8.705 8.873 -0.168 17780 9590 1 15 . 1 1 130 130 LYS N N 219 120.801 120.801 117.143 3.658 17780 9591 1 15 . 1 1 130 130 LYS HA H 219 3.667 3.667 3.699 -0.032 17780 9592 1 15 . 1 1 130 130 LYS CA C 219 60.001 60.001 57.759 2.242 17780 9593 1 15 . 1 1 130 130 LYS CB C 219 31.732 31.732 31.616 0.117 17780 9594 1 15 . 1 1 130 130 LYS H H 219 8.232 8.232 8.353 -0.121 17780 9595 1 15 . 1 1 131 131 ARG HA H 220 3.978 3.978 3.981 -0.003 17780 9596 1 15 . 1 1 131 131 ARG CA C 220 59.013 59.013 58.814 0.199 17780 9597 1 15 . 1 1 131 131 ARG CB C 220 30.028 30.028 29.962 0.066 17780 9598 1 15 . 1 1 132 132 GLU N N 221 119.690 119.690 117.693 1.997 17780 9599 1 15 . 1 1 132 132 GLU HA H 221 4.035 4.035 4.177 -0.142 17780 9600 1 15 . 1 1 132 132 GLU CA C 221 58.006 58.006 57.840 0.166 17780 9601 1 15 . 1 1 132 132 GLU CB C 221 29.270 29.270 28.886 0.384 17780 9602 1 15 . 1 1 132 132 GLU H H 221 8.521 8.521 8.237 0.284 17780 9603 1 15 . 1 1 133 133 SER N N 222 115.963 115.963 116.405 -0.442 17780 9604 1 15 . 1 1 133 133 SER HA H 222 3.884 3.884 3.982 -0.098 17780 9605 1 15 . 1 1 133 133 SER CA C 222 61.500 61.500 61.288 0.212 17780 9606 1 15 . 1 1 133 133 SER CB C 222 62.207 62.207 62.273 -0.065 17780 9607 1 15 . 1 1 133 133 SER H H 222 8.543 8.543 8.093 0.450 17780 9608 1 15 . 1 1 134 134 GLN N N 223 120.695 120.695 120.543 0.152 17780 9609 1 15 . 1 1 134 134 GLN HA H 223 4.152 4.152 3.742 0.410 17780 9610 1 15 . 1 1 134 134 GLN CA C 223 58.646 58.646 58.371 0.275 17780 9611 1 15 . 1 1 134 134 GLN CB C 223 28.299 28.299 28.386 -0.087 17780 9612 1 15 . 1 1 134 134 GLN H H 223 7.486 7.486 7.358 0.128 17780 9613 1 15 . 1 1 135 135 ALA N N 224 120.905 120.905 121.011 -0.106 17780 9614 1 15 . 1 1 135 135 ALA HA H 224 4.169 4.169 4.096 0.073 17780 9615 1 15 . 1 1 135 135 ALA CA C 224 54.404 54.404 54.444 -0.040 17780 9616 1 15 . 1 1 135 135 ALA CB C 224 18.233 18.233 18.183 0.050 17780 9617 1 15 . 1 1 135 135 ALA H H 224 7.497 7.497 7.321 0.176 17780 9618 1 15 . 1 1 136 136 TYR N N 225 119.969 119.969 120.952 -0.983 17780 9619 1 15 . 1 1 136 136 TYR HA H 225 4.080 4.080 4.108 -0.028 17780 9620 1 15 . 1 1 136 136 TYR CA C 225 61.060 61.060 60.590 0.470 17780 9621 1 15 . 1 1 136 136 TYR CB C 225 39.008 39.008 38.556 0.452 17780 9622 1 15 . 1 1 136 136 TYR H H 225 8.215 8.215 7.469 0.746 17780 9623 1 15 . 1 1 137 137 TYR N N 226 117.988 117.988 117.133 0.855 17780 9624 1 15 . 1 1 137 137 TYR HA H 226 4.319 4.319 4.003 0.316 17780 9625 1 15 . 1 1 137 137 TYR CA C 226 59.543 59.543 58.680 0.863 17780 9626 1 15 . 1 1 137 137 TYR CB C 226 37.769 37.769 36.669 1.100 17780 9627 1 15 . 1 1 137 137 TYR H H 226 8.022 8.022 8.603 -0.581 17780 9628 1 15 . 1 1 138 138 GLN N N 227 118.911 118.911 118.728 0.183 17780 9629 1 15 . 1 1 138 138 GLN HA H 227 4.189 4.189 4.050 0.139 17780 9630 1 15 . 1 1 138 138 GLN CA C 227 57.002 57.002 58.135 -1.133 17780 9631 1 15 . 1 1 138 138 GLN CB C 227 28.740 28.740 27.742 0.998 17780 9632 1 15 . 1 1 138 138 GLN H H 227 7.838 7.838 7.632 0.206 17780 9633 1 15 . 1 1 139 139 ARG N N 228 119.910 119.910 119.040 0.870 17780 9634 1 15 . 1 1 139 139 ARG HA H 228 4.207 4.207 4.143 0.064 17780 9635 1 15 . 1 1 139 139 ARG CA C 228 57.338 57.338 57.227 0.111 17780 9636 1 15 . 1 1 139 139 ARG CB C 228 30.390 30.390 29.852 0.538 17780 9637 1 15 . 1 1 139 139 ARG H H 228 7.862 7.862 7.823 0.039 17780 9638 1 15 . 1 1 140 140 GLY N N 229 108.627 108.627 104.935 3.692 17780 9639 1 15 . 1 1 140 140 GLY CA C 229 45.477 45.477 45.020 0.457 17780 9640 1 15 . 1 1 140 140 GLY H H 229 8.092 8.092 7.497 0.595 17780 9641 1 15 . 1 1 141 141 SER N N 230 115.141 115.141 114.995 0.146 17780 9642 1 15 . 1 1 141 141 SER HA H 230 4.330 4.330 4.681 -0.351 17780 9643 1 15 . 1 1 141 141 SER CA C 230 58.650 58.650 57.973 0.677 17780 9644 1 15 . 1 1 141 141 SER CB C 230 63.641 63.641 63.385 0.256 17780 9645 1 15 . 1 1 141 141 SER H H 230 8.050 8.050 7.493 0.557 17780 9646 1 16 . 1 1 2 2 GLN N N 91 119.729 119.729 119.169 0.560 17780 9647 1 16 . 1 1 2 2 GLN HA H 91 4.407 4.407 5.238 -0.831 17780 9648 1 16 . 1 1 2 2 GLN CA C 91 55.969 55.969 55.858 0.111 17780 9649 1 16 . 1 1 2 2 GLN CB C 91 29.576 29.576 31.715 -2.139 17780 9650 1 16 . 1 1 2 2 GLN H H 91 8.267 8.267 9.702 -1.435 17780 9651 1 16 . 1 1 3 3 GLY N N 92 110.081 110.081 107.587 2.494 17780 9652 1 16 . 1 1 3 3 GLY CA C 92 45.115 45.115 45.098 0.017 17780 9653 1 16 . 1 1 3 3 GLY H H 92 8.515 8.515 9.019 -0.504 17780 9654 1 16 . 1 1 4 4 GLY N N 93 108.748 108.748 106.892 1.856 17780 9655 1 16 . 1 1 4 4 GLY CA C 93 45.228 45.228 45.249 -0.021 17780 9656 1 16 . 1 1 4 4 GLY H H 93 8.331 8.331 8.355 -0.024 17780 9657 1 16 . 1 1 5 5 GLY N N 94 108.857 108.857 107.455 1.402 17780 9658 1 16 . 1 1 5 5 GLY CA C 94 45.172 45.172 44.909 0.263 17780 9659 1 16 . 1 1 5 5 GLY H H 94 8.362 8.362 8.260 0.102 17780 9660 1 16 . 1 1 6 6 THR N N 95 113.538 113.538 112.269 1.269 17780 9661 1 16 . 1 1 6 6 THR HA H 95 4.282 4.282 4.440 -0.158 17780 9662 1 16 . 1 1 6 6 THR CA C 95 61.906 61.906 61.955 -0.049 17780 9663 1 16 . 1 1 6 6 THR CB C 95 69.711 69.711 69.594 0.117 17780 9664 1 16 . 1 1 6 6 THR H H 95 8.129 8.129 8.064 0.065 17780 9665 1 16 . 1 1 7 7 HIS N N 96 121.027 121.027 118.366 2.661 17780 9666 1 16 . 1 1 7 7 HIS HA H 96 4.713 4.713 5.125 -0.412 17780 9667 1 16 . 1 1 7 7 HIS CA C 96 55.169 55.169 55.379 -0.210 17780 9668 1 16 . 1 1 7 7 HIS CB C 96 29.575 29.575 32.419 -2.844 17780 9669 1 16 . 1 1 7 7 HIS H H 96 8.497 8.497 8.963 -0.466 17780 9670 1 16 . 1 1 8 8 SER N N 97 117.031 117.031 115.935 1.096 17780 9671 1 16 . 1 1 8 8 SER HA H 97 4.405 4.405 4.906 -0.501 17780 9672 1 16 . 1 1 8 8 SER CA C 97 58.379 58.379 57.666 0.713 17780 9673 1 16 . 1 1 8 8 SER CB C 97 63.535 63.535 64.571 -1.036 17780 9674 1 16 . 1 1 8 8 SER H H 97 8.275 8.275 8.582 -0.307 17780 9675 1 16 . 1 1 9 9 GLN N N 98 122.084 122.084 121.989 0.095 17780 9676 1 16 . 1 1 9 9 GLN HA H 98 4.279 4.279 4.935 -0.656 17780 9677 1 16 . 1 1 9 9 GLN CA C 98 55.970 55.970 55.483 0.487 17780 9678 1 16 . 1 1 9 9 GLN CB C 98 29.157 29.157 30.585 -1.428 17780 9679 1 16 . 1 1 9 9 GLN H H 98 8.462 8.462 8.837 -0.375 17780 9680 1 16 . 1 1 10 10 TRP N N 99 121.630 121.630 126.389 -4.759 17780 9681 1 16 . 1 1 10 10 TRP HA H 99 4.676 4.676 4.961 -0.285 17780 9682 1 16 . 1 1 10 10 TRP CA C 99 57.046 57.046 57.465 -0.418 17780 9683 1 16 . 1 1 10 10 TRP CB C 99 29.440 29.440 31.336 -1.896 17780 9684 1 16 . 1 1 10 10 TRP H H 99 8.086 8.086 8.383 -0.297 17780 9685 1 16 . 1 1 11 11 ASN N N 100 120.591 120.591 121.224 -0.633 17780 9686 1 16 . 1 1 11 11 ASN HA H 100 4.602 4.602 4.189 0.413 17780 9687 1 16 . 1 1 11 11 ASN CA C 100 52.675 52.675 51.594 1.081 17780 9688 1 16 . 1 1 11 11 ASN CB C 100 38.781 38.781 39.984 -1.204 17780 9689 1 16 . 1 1 11 11 ASN H H 100 8.095 8.095 7.560 0.535 17780 9690 1 16 . 1 1 12 12 LYS N N 101 122.656 122.656 120.221 2.435 17780 9691 1 16 . 1 1 12 12 LYS HA H 101 4.435 4.435 4.111 0.324 17780 9692 1 16 . 1 1 12 12 LYS CA C 101 54.139 54.139 54.465 -0.326 17780 9693 1 16 . 1 1 12 12 LYS CB C 101 32.474 32.474 32.104 0.370 17780 9694 1 16 . 1 1 12 12 LYS H H 101 7.985 7.985 8.105 -0.120 17780 9695 1 16 . 1 1 13 13 PRO HA H 102 4.425 4.425 4.346 0.079 17780 9696 1 16 . 1 1 13 13 PRO CA C 102 63.065 63.065 63.702 -0.637 17780 9697 1 16 . 1 1 13 13 PRO CB C 102 32.056 32.056 32.123 -0.067 17780 9698 1 16 . 1 1 14 14 SER N N 103 116.881 116.881 112.416 4.465 17780 9699 1 16 . 1 1 14 14 SER HA H 103 4.430 4.430 4.901 -0.471 17780 9700 1 16 . 1 1 14 14 SER CA C 103 57.973 57.973 57.141 0.832 17780 9701 1 16 . 1 1 14 14 SER CB C 103 63.669 63.669 66.292 -2.623 17780 9702 1 16 . 1 1 14 14 SER H H 103 8.420 8.420 7.802 0.618 17780 9703 1 16 . 1 1 15 15 LYS N N 104 124.163 124.163 120.397 3.766 17780 9704 1 16 . 1 1 15 15 LYS HA H 104 4.620 4.620 4.770 -0.150 17780 9705 1 16 . 1 1 15 15 LYS CA C 104 54.160 54.160 54.037 0.123 17780 9706 1 16 . 1 1 15 15 LYS CB C 104 32.606 32.606 34.048 -1.442 17780 9707 1 16 . 1 1 15 15 LYS H H 104 8.321 8.321 8.682 -0.361 17780 9708 1 16 . 1 1 16 16 PRO HA H 105 4.412 4.412 4.503 -0.091 17780 9709 1 16 . 1 1 16 16 PRO CA C 105 63.012 63.012 62.912 0.100 17780 9710 1 16 . 1 1 16 16 PRO CB C 105 32.152 32.152 32.416 -0.264 17780 9711 1 16 . 1 1 17 17 LYS N N 106 122.072 122.072 120.297 1.775 17780 9712 1 16 . 1 1 17 17 LYS HA H 106 4.338 4.338 4.634 -0.296 17780 9713 1 16 . 1 1 17 17 LYS CA C 106 56.299 56.299 55.459 0.840 17780 9714 1 16 . 1 1 17 17 LYS CB C 106 32.928 32.928 34.568 -1.640 17780 9715 1 16 . 1 1 17 17 LYS H H 106 8.516 8.516 8.430 0.086 17780 9716 1 16 . 1 1 18 18 THR N N 107 115.252 115.252 113.968 1.284 17780 9717 1 16 . 1 1 18 18 THR HA H 107 4.323 4.323 4.462 -0.139 17780 9718 1 16 . 1 1 18 18 THR CA C 107 61.523 61.523 62.331 -0.808 17780 9719 1 16 . 1 1 18 18 THR CB C 107 69.778 69.778 69.222 0.556 17780 9720 1 16 . 1 1 18 18 THR H H 107 8.133 8.133 8.463 -0.330 17780 9721 1 16 . 1 1 19 19 ASN N N 108 121.344 121.344 123.458 -2.114 17780 9722 1 16 . 1 1 19 19 ASN HA H 108 4.712 4.712 4.885 -0.173 17780 9723 1 16 . 1 1 19 19 ASN CA C 108 53.019 53.019 53.102 -0.083 17780 9724 1 16 . 1 1 19 19 ASN CB C 108 38.728 38.728 39.093 -0.365 17780 9725 1 16 . 1 1 19 19 ASN H H 108 8.537 8.537 8.793 -0.256 17780 9726 1 16 . 1 1 20 20 MET N N 109 121.309 121.309 121.827 -0.518 17780 9727 1 16 . 1 1 20 20 MET HA H 109 4.437 4.437 4.765 -0.328 17780 9728 1 16 . 1 1 20 20 MET CA C 109 55.446 55.446 55.170 0.276 17780 9729 1 16 . 1 1 20 20 MET CB C 109 32.809 32.809 33.304 -0.495 17780 9730 1 16 . 1 1 20 20 MET H H 109 8.346 8.346 7.968 0.378 17780 9731 1 16 . 1 1 21 21 LYS N N 110 122.292 122.292 122.507 -0.215 17780 9732 1 16 . 1 1 21 21 LYS HA H 110 4.237 4.237 4.693 -0.456 17780 9733 1 16 . 1 1 21 21 LYS CA C 110 56.394 56.394 55.426 0.968 17780 9734 1 16 . 1 1 21 21 LYS CB C 110 32.923 32.923 34.874 -1.952 17780 9735 1 16 . 1 1 21 21 LYS H H 110 8.300 8.300 8.859 -0.559 17780 9736 1 16 . 1 1 22 22 HIS N N 111 120.193 120.193 120.022 0.171 17780 9737 1 16 . 1 1 22 22 HIS HA H 111 4.642 4.642 5.000 -0.358 17780 9738 1 16 . 1 1 22 22 HIS CA C 111 55.391 55.391 55.168 0.223 17780 9739 1 16 . 1 1 22 22 HIS CB C 111 29.501 29.501 31.964 -2.463 17780 9740 1 16 . 1 1 22 22 HIS H H 111 8.406 8.406 8.847 -0.441 17780 9741 1 16 . 1 1 23 23 MET N N 112 122.529 122.529 121.346 1.183 17780 9742 1 16 . 1 1 23 23 MET HA H 112 4.464 4.464 4.951 -0.487 17780 9743 1 16 . 1 1 23 23 MET CA C 112 55.125 55.125 54.329 0.796 17780 9744 1 16 . 1 1 23 23 MET CB C 112 32.930 32.930 36.242 -3.312 17780 9745 1 16 . 1 1 23 23 MET H H 112 8.326 8.326 8.133 0.193 17780 9746 1 16 . 1 1 24 24 ALA N N 113 125.642 125.642 122.800 2.842 17780 9747 1 16 . 1 1 24 24 ALA HA H 113 4.315 4.315 5.129 -0.814 17780 9748 1 16 . 1 1 24 24 ALA CA C 113 52.521 52.521 51.258 1.263 17780 9749 1 16 . 1 1 24 24 ALA CB C 113 19.181 19.181 21.612 -2.431 17780 9750 1 16 . 1 1 24 24 ALA H H 113 8.370 8.370 8.793 -0.423 17780 9751 1 16 . 1 1 25 25 GLY N N 114 108.473 108.473 108.175 0.298 17780 9752 1 16 . 1 1 25 25 GLY CA C 114 45.175 45.175 45.869 -0.694 17780 9753 1 16 . 1 1 25 25 GLY H H 114 8.373 8.373 9.209 -0.836 17780 9754 1 16 . 1 1 26 26 ALA N N 115 123.872 123.872 122.566 1.306 17780 9755 1 16 . 1 1 26 26 ALA HA H 115 4.316 4.316 5.278 -0.962 17780 9756 1 16 . 1 1 26 26 ALA CA C 115 52.496 52.496 51.868 0.628 17780 9757 1 16 . 1 1 26 26 ALA CB C 115 19.181 19.181 21.231 -2.050 17780 9758 1 16 . 1 1 26 26 ALA H H 115 8.134 8.134 9.117 -0.983 17780 9759 1 16 . 1 1 27 27 ALA N N 116 123.172 123.172 122.817 0.355 17780 9760 1 16 . 1 1 27 27 ALA HA H 116 4.287 4.287 5.052 -0.765 17780 9761 1 16 . 1 1 27 27 ALA CA C 116 52.464 52.464 52.645 -0.181 17780 9762 1 16 . 1 1 27 27 ALA CB C 116 19.180 19.180 19.155 0.025 17780 9763 1 16 . 1 1 27 27 ALA H H 116 8.268 8.268 9.629 -1.361 17780 9764 1 16 . 1 1 28 28 ALA N N 117 123.253 123.253 121.820 1.433 17780 9765 1 16 . 1 1 28 28 ALA HA H 117 4.277 4.277 5.306 -1.029 17780 9766 1 16 . 1 1 28 28 ALA CA C 117 52.383 52.383 52.089 0.294 17780 9767 1 16 . 1 1 28 28 ALA CB C 117 19.156 19.156 20.864 -1.708 17780 9768 1 16 . 1 1 28 28 ALA H H 117 8.169 8.169 8.958 -0.789 17780 9769 1 16 . 1 1 29 29 ALA N N 118 123.225 123.225 122.409 0.816 17780 9770 1 16 . 1 1 29 29 ALA HA H 118 4.282 4.282 4.633 -0.351 17780 9771 1 16 . 1 1 29 29 ALA CA C 118 52.469 52.469 51.731 0.738 17780 9772 1 16 . 1 1 29 29 ALA CB C 118 19.129 19.129 19.710 -0.581 17780 9773 1 16 . 1 1 29 29 ALA H H 118 8.204 8.204 8.228 -0.024 17780 9774 1 16 . 1 1 30 30 GLY N N 119 107.906 107.906 107.784 0.122 17780 9775 1 16 . 1 1 30 30 GLY CA C 119 45.089 45.089 45.356 -0.267 17780 9776 1 16 . 1 1 30 30 GLY H H 119 8.271 8.271 8.513 -0.242 17780 9777 1 16 . 1 1 31 31 ALA N N 120 123.540 123.540 125.801 -2.261 17780 9778 1 16 . 1 1 31 31 ALA HA H 120 4.339 4.339 4.338 0.001 17780 9779 1 16 . 1 1 31 31 ALA CA C 120 52.282 52.282 52.335 -0.053 17780 9780 1 16 . 1 1 31 31 ALA CB C 120 19.432 19.432 19.050 0.382 17780 9781 1 16 . 1 1 31 31 ALA H H 120 8.039 8.039 7.636 0.403 17780 9782 1 16 . 1 1 32 32 VAL N N 121 119.579 119.579 115.285 4.294 17780 9783 1 16 . 1 1 32 32 VAL HA H 121 4.117 4.117 3.753 0.364 17780 9784 1 16 . 1 1 32 32 VAL CA C 121 62.142 62.142 63.399 -1.257 17780 9785 1 16 . 1 1 32 32 VAL CB C 121 32.673 32.673 30.421 2.252 17780 9786 1 16 . 1 1 32 32 VAL H H 121 8.109 8.109 8.689 -0.580 17780 9787 1 16 . 1 1 33 33 VAL N N 122 124.655 124.655 121.439 3.216 17780 9788 1 16 . 1 1 33 33 VAL HA H 122 4.081 4.081 4.036 0.045 17780 9789 1 16 . 1 1 33 33 VAL CA C 122 62.430 62.430 63.634 -1.204 17780 9790 1 16 . 1 1 33 33 VAL CB C 122 32.675 32.675 31.114 1.561 17780 9791 1 16 . 1 1 33 33 VAL H H 122 8.262 8.262 7.613 0.649 17780 9792 1 16 . 1 1 34 34 GLY N N 123 113.165 113.165 108.888 4.277 17780 9793 1 16 . 1 1 34 34 GLY CA C 123 45.264 45.264 44.850 0.414 17780 9794 1 16 . 1 1 34 34 GLY H H 123 8.528 8.528 8.538 -0.010 17780 9795 1 16 . 1 1 35 35 GLY N N 124 108.440 108.440 108.750 -0.310 17780 9796 1 16 . 1 1 35 35 GLY CA C 124 45.264 45.264 45.496 -0.232 17780 9797 1 16 . 1 1 35 35 GLY H H 124 8.245 8.245 7.865 0.380 17780 9798 1 16 . 1 1 36 36 LEU N N 125 121.679 121.679 120.388 1.291 17780 9799 1 16 . 1 1 36 36 LEU HA H 125 4.340 4.340 4.537 -0.197 17780 9800 1 16 . 1 1 36 36 LEU CA C 125 54.808 54.808 55.525 -0.717 17780 9801 1 16 . 1 1 36 36 LEU CB C 125 42.417 42.417 42.670 -0.253 17780 9802 1 16 . 1 1 36 36 LEU H H 125 8.233 8.233 7.534 0.699 17780 9803 1 16 . 1 1 37 37 GLY N N 126 109.818 109.818 106.144 3.674 17780 9804 1 16 . 1 1 37 37 GLY CA C 126 46.266 46.266 45.939 0.327 17780 9805 1 16 . 1 1 37 37 GLY H H 126 8.511 8.511 8.559 -0.048 17780 9806 1 16 . 1 1 38 38 GLY N N 127 109.485 109.485 106.131 3.354 17780 9807 1 16 . 1 1 38 38 GLY CA C 127 45.029 45.029 44.692 0.337 17780 9808 1 16 . 1 1 38 38 GLY H H 127 8.374 8.374 8.120 0.254 17780 9809 1 16 . 1 1 39 39 TYR N N 128 117.683 117.683 118.753 -1.070 17780 9810 1 16 . 1 1 39 39 TYR HA H 128 4.501 4.501 4.637 -0.136 17780 9811 1 16 . 1 1 39 39 TYR CA C 128 58.050 58.050 56.635 1.415 17780 9812 1 16 . 1 1 39 39 TYR CB C 128 40.362 40.362 41.713 -1.351 17780 9813 1 16 . 1 1 39 39 TYR H H 128 7.746 7.746 7.918 -0.172 17780 9814 1 16 . 1 1 40 40 MET N N 129 120.902 120.902 116.954 3.948 17780 9815 1 16 . 1 1 40 40 MET HA H 129 4.534 4.534 4.466 0.068 17780 9816 1 16 . 1 1 40 40 MET CA C 129 53.516 53.516 53.470 0.046 17780 9817 1 16 . 1 1 40 40 MET CB C 129 34.851 34.851 36.839 -1.988 17780 9818 1 16 . 1 1 40 40 MET H H 129 9.005 9.005 8.632 0.373 17780 9819 1 16 . 1 1 41 41 LEU N N 130 121.514 121.514 114.431 7.083 17780 9820 1 16 . 1 1 41 41 LEU HA H 130 4.464 4.464 5.287 -0.823 17780 9821 1 16 . 1 1 41 41 LEU CA C 130 53.359 53.359 52.704 0.655 17780 9822 1 16 . 1 1 41 41 LEU CB C 130 43.482 43.482 44.124 -0.642 17780 9823 1 16 . 1 1 41 41 LEU H H 130 8.034 8.034 8.113 -0.079 17780 9824 1 16 . 1 1 42 42 GLY N N 131 114.895 114.895 107.976 6.919 17780 9825 1 16 . 1 1 42 42 GLY CA C 131 44.698 44.698 45.022 -0.324 17780 9826 1 16 . 1 1 42 42 GLY H H 131 9.375 9.375 8.671 0.704 17780 9827 1 16 . 1 1 43 43 SER N N 132 113.692 113.692 117.277 -3.585 17780 9828 1 16 . 1 1 43 43 SER HA H 132 4.429 4.429 4.433 -0.004 17780 9829 1 16 . 1 1 43 43 SER CA C 132 58.191 58.191 58.693 -0.502 17780 9830 1 16 . 1 1 43 43 SER CB C 132 63.938 63.938 63.456 0.482 17780 9831 1 16 . 1 1 43 43 SER H H 132 8.345 8.345 8.250 0.095 17780 9832 1 16 . 1 1 44 44 ALA N N 133 125.505 125.505 123.516 1.989 17780 9833 1 16 . 1 1 44 44 ALA HA H 133 4.437 4.437 4.676 -0.239 17780 9834 1 16 . 1 1 44 44 ALA CA C 133 52.936 52.936 51.828 1.108 17780 9835 1 16 . 1 1 44 44 ALA CB C 133 18.412 18.412 21.114 -2.703 17780 9836 1 16 . 1 1 44 44 ALA H H 133 8.735 8.735 8.214 0.521 17780 9837 1 16 . 1 1 45 45 MET N N 134 120.707 120.707 122.386 -1.679 17780 9838 1 16 . 1 1 45 45 MET HA H 134 4.756 4.756 4.921 -0.165 17780 9839 1 16 . 1 1 45 45 MET CA C 134 54.242 54.242 54.681 -0.439 17780 9840 1 16 . 1 1 45 45 MET CB C 134 36.727 36.727 36.020 0.707 17780 9841 1 16 . 1 1 45 45 MET H H 134 8.686 8.686 8.621 0.065 17780 9842 1 16 . 1 1 46 46 SER N N 135 116.235 116.235 117.925 -1.690 17780 9843 1 16 . 1 1 46 46 SER HA H 135 4.375 4.375 4.524 -0.149 17780 9844 1 16 . 1 1 46 46 SER CA C 135 58.410 58.410 58.025 0.385 17780 9845 1 16 . 1 1 46 46 SER CB C 135 63.016 63.016 63.768 -0.752 17780 9846 1 16 . 1 1 46 46 SER H H 135 8.397 8.397 8.384 0.013 17780 9847 1 16 . 1 1 47 47 ARG N N 136 126.632 126.632 124.727 1.905 17780 9848 1 16 . 1 1 47 47 ARG HA H 136 4.406 4.406 4.574 -0.168 17780 9849 1 16 . 1 1 47 47 ARG CA C 136 54.783 54.783 53.711 1.072 17780 9850 1 16 . 1 1 47 47 ARG CB C 136 29.040 29.040 28.997 0.043 17780 9851 1 16 . 1 1 47 47 ARG H H 136 8.668 8.668 8.665 0.003 17780 9852 1 16 . 1 1 48 48 PRO HA H 137 4.422 4.422 4.618 -0.196 17780 9853 1 16 . 1 1 48 48 PRO CA C 137 62.327 62.327 62.630 -0.303 17780 9854 1 16 . 1 1 48 48 PRO CB C 137 32.269 32.269 32.447 -0.177 17780 9855 1 16 . 1 1 49 49 ILE N N 138 122.521 122.521 121.477 1.044 17780 9856 1 16 . 1 1 49 49 ILE HA H 138 4.148 4.148 4.200 -0.052 17780 9857 1 16 . 1 1 49 49 ILE CA C 138 60.916 60.916 60.675 0.241 17780 9858 1 16 . 1 1 49 49 ILE CB C 138 36.234 36.234 39.052 -2.818 17780 9859 1 16 . 1 1 49 49 ILE H H 138 8.603 8.603 8.112 0.491 17780 9860 1 16 . 1 1 50 50 ILE N N 139 126.683 126.683 125.672 1.011 17780 9861 1 16 . 1 1 50 50 ILE HA H 139 3.927 3.927 3.781 0.146 17780 9862 1 16 . 1 1 50 50 ILE CA C 139 58.700 58.700 58.748 -0.048 17780 9863 1 16 . 1 1 50 50 ILE CB C 139 39.345 39.345 40.867 -1.522 17780 9864 1 16 . 1 1 50 50 ILE H H 139 6.514 6.514 8.076 -1.562 17780 9865 1 16 . 1 1 51 51 HIS N N 140 121.997 121.997 122.980 -0.983 17780 9866 1 16 . 1 1 51 51 HIS HA H 140 4.918 4.918 4.495 0.423 17780 9867 1 16 . 1 1 51 51 HIS CA C 140 54.065 54.065 55.043 -0.978 17780 9868 1 16 . 1 1 51 51 HIS CB C 140 29.466 29.466 27.855 1.611 17780 9869 1 16 . 1 1 51 51 HIS H H 140 8.203 8.203 7.419 0.784 17780 9870 1 16 . 1 1 52 52 PHE N N 141 124.334 124.334 123.048 1.286 17780 9871 1 16 . 1 1 52 52 PHE HA H 141 4.348 4.348 4.402 -0.054 17780 9872 1 16 . 1 1 52 52 PHE CA C 141 59.251 59.251 59.549 -0.298 17780 9873 1 16 . 1 1 52 52 PHE CB C 141 41.448 41.448 39.658 1.790 17780 9874 1 16 . 1 1 52 52 PHE H H 141 10.160 10.160 7.797 2.363 17780 9875 1 16 . 1 1 53 53 GLY N N 142 108.368 108.368 104.743 3.625 17780 9876 1 16 . 1 1 53 53 GLY CA C 142 45.516 45.516 45.178 0.338 17780 9877 1 16 . 1 1 53 53 GLY H H 142 8.984 8.984 8.261 0.723 17780 9878 1 16 . 1 1 54 54 SER N N 143 111.819 111.819 114.695 -2.876 17780 9879 1 16 . 1 1 54 54 SER HA H 143 4.810 4.810 4.524 0.286 17780 9880 1 16 . 1 1 54 54 SER CA C 143 56.498 56.498 57.214 -0.716 17780 9881 1 16 . 1 1 54 54 SER CB C 143 65.964 65.964 64.710 1.254 17780 9882 1 16 . 1 1 54 54 SER H H 143 7.334 7.334 7.625 -0.291 17780 9883 1 16 . 1 1 55 55 ASP N N 144 124.249 124.249 122.388 1.861 17780 9884 1 16 . 1 1 55 55 ASP HA H 144 4.500 4.500 4.698 -0.198 17780 9885 1 16 . 1 1 55 55 ASP CA C 144 57.493 57.493 57.446 0.047 17780 9886 1 16 . 1 1 55 55 ASP CB C 144 40.664 40.664 40.849 -0.185 17780 9887 1 16 . 1 1 55 55 ASP H H 144 9.014 9.014 8.589 0.425 17780 9888 1 16 . 1 1 56 56 TYR N N 145 118.991 118.991 115.080 3.911 17780 9889 1 16 . 1 1 56 56 TYR HA H 145 4.196 4.196 4.553 -0.357 17780 9890 1 16 . 1 1 56 56 TYR CA C 145 61.351 61.351 59.626 1.725 17780 9891 1 16 . 1 1 56 56 TYR CB C 145 38.075 38.075 37.383 0.692 17780 9892 1 16 . 1 1 56 56 TYR H H 145 8.551 8.551 7.517 1.034 17780 9893 1 16 . 1 1 57 57 GLU N N 146 119.217 119.217 120.516 -1.299 17780 9894 1 16 . 1 1 57 57 GLU HA H 146 3.563 3.563 4.428 -0.865 17780 9895 1 16 . 1 1 57 57 GLU CA C 146 59.921 59.921 59.541 0.380 17780 9896 1 16 . 1 1 57 57 GLU CB C 146 30.297 30.297 29.801 0.496 17780 9897 1 16 . 1 1 57 57 GLU H H 146 7.741 7.741 7.719 0.022 17780 9898 1 16 . 1 1 58 58 ASP N N 147 119.565 119.565 118.709 0.856 17780 9899 1 16 . 1 1 58 58 ASP HA H 147 4.498 4.498 4.709 -0.211 17780 9900 1 16 . 1 1 58 58 ASP CA C 147 58.185 58.185 57.243 0.942 17780 9901 1 16 . 1 1 58 58 ASP CB C 147 40.598 40.598 40.795 -0.197 17780 9902 1 16 . 1 1 58 58 ASP H H 147 8.139 8.139 8.051 0.088 17780 9903 1 16 . 1 1 59 59 ARG N N 148 120.296 120.296 118.624 1.672 17780 9904 1 16 . 1 1 59 59 ARG HA H 148 4.004 4.004 4.111 -0.107 17780 9905 1 16 . 1 1 59 59 ARG CA C 148 59.393 59.393 58.667 0.726 17780 9906 1 16 . 1 1 59 59 ARG CB C 148 29.910 29.910 29.809 0.101 17780 9907 1 16 . 1 1 59 59 ARG H H 148 8.181 8.181 7.727 0.454 17780 9908 1 16 . 1 1 60 60 TYR N N 149 121.152 121.152 121.177 -0.025 17780 9909 1 16 . 1 1 60 60 TYR HA H 149 3.819 3.819 4.351 -0.532 17780 9910 1 16 . 1 1 60 60 TYR CA C 149 62.195 62.195 59.794 2.401 17780 9911 1 16 . 1 1 60 60 TYR CB C 149 37.808 37.808 38.380 -0.572 17780 9912 1 16 . 1 1 60 60 TYR H H 149 8.333 8.333 7.611 0.722 17780 9913 1 16 . 1 1 61 61 TYR N N 150 120.365 120.365 120.995 -0.630 17780 9914 1 16 . 1 1 61 61 TYR HA H 150 4.122 4.122 3.403 0.719 17780 9915 1 16 . 1 1 61 61 TYR CA C 150 62.969 62.969 60.529 2.440 17780 9916 1 16 . 1 1 61 61 TYR CB C 150 38.207 38.207 37.837 0.370 17780 9917 1 16 . 1 1 61 61 TYR H H 150 8.942 8.942 7.943 0.999 17780 9918 1 16 . 1 1 62 62 ARG N N 151 117.982 117.982 116.438 1.544 17780 9919 1 16 . 1 1 62 62 ARG HA H 151 3.938 3.938 3.387 0.551 17780 9920 1 16 . 1 1 62 62 ARG CA C 151 59.940 59.940 58.424 1.516 17780 9921 1 16 . 1 1 62 62 ARG CB C 151 29.731 29.731 29.523 0.208 17780 9922 1 16 . 1 1 62 62 ARG H H 151 7.938 7.938 7.459 0.479 17780 9923 1 16 . 1 1 63 63 GLU N N 152 116.389 116.389 117.862 -1.473 17780 9924 1 16 . 1 1 63 63 GLU HA H 152 4.059 4.059 4.052 0.007 17780 9925 1 16 . 1 1 63 63 GLU CA C 152 57.990 57.990 58.570 -0.580 17780 9926 1 16 . 1 1 63 63 GLU CB C 152 29.915 29.915 29.469 0.446 17780 9927 1 16 . 1 1 63 63 GLU H H 152 8.068 8.068 7.844 0.224 17780 9928 1 16 . 1 1 64 64 ASN N N 153 114.690 114.690 114.821 -0.131 17780 9929 1 16 . 1 1 64 64 ASN HA H 153 4.406 4.406 4.329 0.077 17780 9930 1 16 . 1 1 64 64 ASN CA C 153 54.814 54.814 53.074 1.740 17780 9931 1 16 . 1 1 64 64 ASN CB C 153 41.178 41.178 38.697 2.481 17780 9932 1 16 . 1 1 64 64 ASN H H 153 7.525 7.525 7.392 0.133 17780 9933 1 16 . 1 1 65 65 MET N N 154 119.058 119.058 121.894 -2.836 17780 9934 1 16 . 1 1 65 65 MET HA H 154 3.417 3.417 3.462 -0.045 17780 9935 1 16 . 1 1 65 65 MET CA C 154 59.193 59.193 58.991 0.202 17780 9936 1 16 . 1 1 65 65 MET CB C 154 30.258 30.258 32.049 -1.791 17780 9937 1 16 . 1 1 65 65 MET H H 154 7.993 7.993 7.099 0.894 17780 9938 1 16 . 1 1 66 66 HIS N N 155 116.083 116.083 113.281 2.802 17780 9939 1 16 . 1 1 66 66 HIS HA H 155 4.208 4.208 4.390 -0.182 17780 9940 1 16 . 1 1 66 66 HIS CA C 155 57.382 57.382 57.373 0.009 17780 9941 1 16 . 1 1 66 66 HIS CB C 155 28.955 28.955 28.876 0.079 17780 9942 1 16 . 1 1 66 66 HIS H H 155 7.988 7.988 7.977 0.011 17780 9943 1 16 . 1 1 67 67 ARG N N 156 118.993 118.993 117.692 1.301 17780 9944 1 16 . 1 1 67 67 ARG HA H 156 4.133 4.133 4.313 -0.180 17780 9945 1 16 . 1 1 67 67 ARG CA C 156 56.135 56.135 56.611 -0.476 17780 9946 1 16 . 1 1 67 67 ARG CB C 156 30.521 30.521 30.581 -0.060 17780 9947 1 16 . 1 1 67 67 ARG H H 156 7.488 7.488 7.319 0.169 17780 9948 1 16 . 1 1 68 68 TYR N N 157 121.321 121.321 119.594 1.727 17780 9949 1 16 . 1 1 68 68 TYR HA H 157 4.991 4.991 4.603 0.388 17780 9950 1 16 . 1 1 68 68 TYR CA C 157 52.644 52.644 53.912 -1.268 17780 9951 1 16 . 1 1 68 68 TYR CB C 157 34.873 34.873 37.929 -3.056 17780 9952 1 16 . 1 1 68 68 TYR H H 157 7.433 7.433 7.258 0.175 17780 9953 1 16 . 1 1 69 69 PRO HA H 158 4.338 4.338 4.448 -0.110 17780 9954 1 16 . 1 1 69 69 PRO CA C 158 63.651 63.651 62.364 1.287 17780 9955 1 16 . 1 1 69 69 PRO CB C 158 32.005 32.005 33.099 -1.094 17780 9956 1 16 . 1 1 70 70 ASN N N 159 116.696 116.696 117.458 -0.762 17780 9957 1 16 . 1 1 70 70 ASN HA H 159 4.690 4.690 4.595 0.095 17780 9958 1 16 . 1 1 70 70 ASN CA C 159 51.997 51.997 53.813 -1.816 17780 9959 1 16 . 1 1 70 70 ASN CB C 159 38.375 38.375 38.822 -0.447 17780 9960 1 16 . 1 1 70 70 ASN H H 159 8.673 8.673 8.572 0.101 17780 9961 1 16 . 1 1 71 71 GLN N N 160 114.313 114.313 117.799 -3.486 17780 9962 1 16 . 1 1 71 71 GLN HA H 160 4.523 4.523 4.795 -0.272 17780 9963 1 16 . 1 1 71 71 GLN CA C 160 54.286 54.286 54.405 -0.119 17780 9964 1 16 . 1 1 71 71 GLN CB C 160 32.975 32.975 32.989 -0.014 17780 9965 1 16 . 1 1 71 71 GLN H H 160 7.319 7.319 7.649 -0.330 17780 9966 1 16 . 1 1 72 72 VAL N N 161 112.569 112.569 115.042 -2.473 17780 9967 1 16 . 1 1 72 72 VAL HA H 161 4.927 4.927 4.380 0.547 17780 9968 1 16 . 1 1 72 72 VAL CA C 161 58.651 58.651 61.163 -2.512 17780 9969 1 16 . 1 1 72 72 VAL CB C 161 33.812 33.812 33.053 0.759 17780 9970 1 16 . 1 1 72 72 VAL H H 161 8.477 8.477 8.352 0.125 17780 9971 1 16 . 1 1 73 73 TYR N N 162 121.525 121.525 124.540 -3.015 17780 9972 1 16 . 1 1 73 73 TYR HA H 162 5.507 5.507 5.532 -0.025 17780 9973 1 16 . 1 1 73 73 TYR CA C 162 57.133 57.133 56.336 0.797 17780 9974 1 16 . 1 1 73 73 TYR CB C 162 41.970 41.970 41.198 0.772 17780 9975 1 16 . 1 1 73 73 TYR H H 162 8.490 8.490 8.605 -0.115 17780 9976 1 16 . 1 1 74 74 TYR N N 163 111.081 111.081 119.423 -8.342 17780 9977 1 16 . 1 1 74 74 TYR HA H 163 4.758 4.758 5.206 -0.448 17780 9978 1 16 . 1 1 74 74 TYR CA C 163 55.367 55.367 56.631 -1.264 17780 9979 1 16 . 1 1 74 74 TYR CB C 163 40.401 40.401 40.054 0.347 17780 9980 1 16 . 1 1 74 74 TYR H H 163 8.593 8.593 8.680 -0.087 17780 9981 1 16 . 1 1 76 76 PRO HA H 165 4.490 4.490 4.477 0.013 17780 9982 1 16 . 1 1 76 76 PRO CA C 165 62.967 62.967 63.271 -0.304 17780 9983 1 16 . 1 1 76 76 PRO CB C 165 32.372 32.372 32.400 -0.028 17780 9984 1 16 . 1 1 77 77 MET N N 166 121.408 121.408 118.802 2.606 17780 9985 1 16 . 1 1 77 77 MET HA H 166 4.438 4.438 4.235 0.203 17780 9986 1 16 . 1 1 77 77 MET CA C 166 57.081 57.081 55.071 2.010 17780 9987 1 16 . 1 1 77 77 MET CB C 166 32.165 32.165 31.810 0.355 17780 9988 1 16 . 1 1 77 77 MET H H 166 9.013 9.013 8.198 0.815 17780 9989 1 16 . 1 1 78 78 ASP N N 167 119.933 119.933 119.926 0.007 17780 9990 1 16 . 1 1 78 78 ASP HA H 167 4.754 4.754 4.673 0.081 17780 9991 1 16 . 1 1 78 78 ASP CA C 167 52.485 52.485 53.117 -0.632 17780 9992 1 16 . 1 1 78 78 ASP CB C 167 38.802 38.802 42.510 -3.708 17780 9993 1 16 . 1 1 78 78 ASP H H 167 8.176 8.176 7.808 0.368 17780 9994 1 16 . 1 1 79 79 GLU N N 168 116.934 116.934 118.952 -2.018 17780 9995 1 16 . 1 1 79 79 GLU HA H 168 4.308 4.308 3.825 0.483 17780 9996 1 16 . 1 1 79 79 GLU CA C 168 58.638 58.638 58.025 0.613 17780 9997 1 16 . 1 1 79 79 GLU CB C 168 29.185 29.185 29.334 -0.149 17780 9998 1 16 . 1 1 79 79 GLU H H 168 8.332 8.332 8.547 -0.215 17780 9999 1 16 . 1 1 81 81 SER N N 170 116.603 116.603 115.346 1.257 17780 10000 1 16 . 1 1 81 81 SER HA H 170 4.374 4.374 4.321 0.053 17780 10001 1 16 . 1 1 81 81 SER CA C 170 58.475 58.475 59.099 -0.624 17780 10002 1 16 . 1 1 81 81 SER CB C 170 63.677 63.677 63.388 0.289 17780 10003 1 16 . 1 1 81 81 SER H H 170 8.560 8.560 7.983 0.577 17780 10004 1 16 . 1 1 83 83 GLN N N 172 120.404 120.404 120.548 -0.144 17780 10005 1 16 . 1 1 83 83 GLN HA H 172 4.750 4.750 4.583 0.167 17780 10006 1 16 . 1 1 83 83 GLN CA C 172 59.899 59.899 54.918 4.981 17780 10007 1 16 . 1 1 83 83 GLN CB C 172 29.023 29.023 30.764 -1.741 17780 10008 1 16 . 1 1 83 83 GLN H H 172 8.635 8.635 7.964 0.671 17780 10009 1 16 . 1 1 84 84 ASN N N 173 116.470 116.470 118.692 -2.222 17780 10010 1 16 . 1 1 84 84 ASN HA H 173 4.237 4.237 4.359 -0.122 17780 10011 1 16 . 1 1 84 84 ASN CA C 173 56.470 56.470 55.422 1.048 17780 10012 1 16 . 1 1 84 84 ASN CB C 173 37.812 37.812 38.290 -0.478 17780 10013 1 16 . 1 1 84 84 ASN H H 173 8.352 8.352 8.968 -0.616 17780 10014 1 16 . 1 1 85 85 ASN N N 174 118.500 118.500 118.533 -0.033 17780 10015 1 16 . 1 1 85 85 ASN HA H 174 4.534 4.534 4.345 0.189 17780 10016 1 16 . 1 1 85 85 ASN CA C 174 55.905 55.905 54.522 1.383 17780 10017 1 16 . 1 1 85 85 ASN CB C 174 37.760 37.760 38.010 -0.250 17780 10018 1 16 . 1 1 85 85 ASN H H 174 8.602 8.602 8.450 0.152 17780 10019 1 16 . 1 1 86 86 PHE CB C 175 39.641 39.641 38.129 1.512 17780 10020 1 16 . 1 1 87 87 VAL N N 176 120.134 120.134 120.838 -0.704 17780 10021 1 16 . 1 1 87 87 VAL HA H 176 3.564 3.564 2.617 0.947 17780 10022 1 16 . 1 1 87 87 VAL CA C 176 67.737 67.737 65.486 2.251 17780 10023 1 16 . 1 1 87 87 VAL CB C 176 31.951 31.951 30.763 1.188 17780 10024 1 16 . 1 1 87 87 VAL H H 176 9.002 9.002 7.034 1.968 17780 10025 1 16 . 1 1 88 88 HIS N N 177 117.217 117.217 118.575 -1.358 17780 10026 1 16 . 1 1 88 88 HIS HA H 177 4.304 4.304 4.093 0.211 17780 10027 1 16 . 1 1 88 88 HIS CA C 177 59.781 59.781 58.912 0.869 17780 10028 1 16 . 1 1 88 88 HIS CB C 177 28.264 28.264 29.730 -1.466 17780 10029 1 16 . 1 1 88 88 HIS H H 177 8.330 8.330 8.134 0.196 17780 10030 1 16 . 1 1 89 89 ASP N N 178 118.497 118.497 119.158 -0.661 17780 10031 1 16 . 1 1 89 89 ASP HA H 178 4.500 4.500 4.583 -0.083 17780 10032 1 16 . 1 1 89 89 ASP CA C 178 57.423 57.423 56.511 0.912 17780 10033 1 16 . 1 1 89 89 ASP CB C 178 41.792 41.792 41.132 0.660 17780 10034 1 16 . 1 1 89 89 ASP H H 178 7.696 7.696 7.860 -0.164 17780 10035 1 16 . 1 1 90 90 CYS N N 179 119.012 119.012 120.420 -1.408 17780 10036 1 16 . 1 1 90 90 CYS HA H 179 4.753 4.753 4.257 0.496 17780 10037 1 16 . 1 1 90 90 CYS CA C 179 58.466 58.466 62.117 -3.651 17780 10038 1 16 . 1 1 90 90 CYS CB C 179 40.758 40.758 25.862 14.896 17780 10039 1 16 . 1 1 90 90 CYS H H 179 8.037 8.037 7.456 0.581 17780 10040 1 16 . 1 1 91 91 VAL N N 180 125.063 125.063 120.325 4.738 17780 10041 1 16 . 1 1 91 91 VAL HA H 180 3.667 3.667 3.573 0.094 17780 10042 1 16 . 1 1 91 91 VAL CA C 180 66.293 66.293 66.471 -0.178 17780 10043 1 16 . 1 1 91 91 VAL CB C 180 32.028 32.028 31.743 0.285 17780 10044 1 16 . 1 1 91 91 VAL H H 180 9.212 9.212 8.531 0.681 17780 10045 1 16 . 1 1 92 92 ASN N N 181 116.153 116.153 119.013 -2.860 17780 10046 1 16 . 1 1 92 92 ASN HA H 181 4.311 4.311 4.393 -0.082 17780 10047 1 16 . 1 1 92 92 ASN CA C 181 56.622 56.622 56.334 0.288 17780 10048 1 16 . 1 1 92 92 ASN CB C 181 38.749 38.749 38.037 0.712 17780 10049 1 16 . 1 1 92 92 ASN H H 181 7.626 7.626 7.482 0.144 17780 10050 1 16 . 1 1 93 93 ILE N N 182 118.637 118.637 119.845 -1.208 17780 10051 1 16 . 1 1 93 93 ILE HA H 182 3.787 3.787 3.698 0.089 17780 10052 1 16 . 1 1 93 93 ILE CA C 182 62.078 62.078 63.971 -1.893 17780 10053 1 16 . 1 1 93 93 ILE CB C 182 36.535 36.535 36.409 0.126 17780 10054 1 16 . 1 1 93 93 ILE H H 182 8.610 8.610 8.589 0.021 17780 10055 1 16 . 1 1 94 94 THR N N 183 118.229 118.229 117.698 0.531 17780 10056 1 16 . 1 1 94 94 THR HA H 183 4.097 4.097 4.041 0.056 17780 10057 1 16 . 1 1 94 94 THR CA C 183 68.834 68.834 67.374 1.460 17780 10058 1 16 . 1 1 94 94 THR CB C 183 68.258 68.258 68.865 -0.607 17780 10059 1 16 . 1 1 94 94 THR H H 183 8.140 8.140 8.129 0.011 17780 10060 1 16 . 1 1 95 95 ILE N N 184 120.906 120.906 121.327 -0.421 17780 10061 1 16 . 1 1 95 95 ILE HA H 184 3.666 3.666 3.897 -0.231 17780 10062 1 16 . 1 1 95 95 ILE CA C 184 66.259 66.259 62.991 3.268 17780 10063 1 16 . 1 1 95 95 ILE CB C 184 36.824 36.824 38.017 -1.192 17780 10064 1 16 . 1 1 95 95 ILE H H 184 8.450 8.450 7.874 0.576 17780 10065 1 16 . 1 1 96 96 LYS N N 185 123.208 123.208 121.440 1.768 17780 10066 1 16 . 1 1 96 96 LYS HA H 185 4.067 4.067 3.833 0.234 17780 10067 1 16 . 1 1 96 96 LYS CA C 185 59.987 59.987 60.234 -0.247 17780 10068 1 16 . 1 1 96 96 LYS CB C 185 32.119 32.119 32.166 -0.047 17780 10069 1 16 . 1 1 96 96 LYS H H 185 8.067 8.067 8.489 -0.422 17780 10070 1 16 . 1 1 97 97 GLN N N 186 116.879 116.879 118.401 -1.522 17780 10071 1 16 . 1 1 97 97 GLN HA H 186 4.059 4.059 3.956 0.103 17780 10072 1 16 . 1 1 97 97 GLN CA C 186 58.010 58.010 59.049 -1.039 17780 10073 1 16 . 1 1 97 97 GLN CB C 186 27.982 27.982 28.080 -0.098 17780 10074 1 16 . 1 1 97 97 GLN H H 186 8.493 8.493 8.465 0.028 17780 10075 1 16 . 1 1 98 98 HIS N N 187 119.676 119.676 121.616 -1.940 17780 10076 1 16 . 1 1 98 98 HIS HA H 187 4.579 4.579 4.404 0.175 17780 10077 1 16 . 1 1 98 98 HIS CA C 187 59.465 59.465 59.360 0.105 17780 10078 1 16 . 1 1 98 98 HIS CB C 187 31.628 31.628 29.771 1.857 17780 10079 1 16 . 1 1 98 98 HIS H H 187 8.435 8.435 7.610 0.825 17780 10080 1 16 . 1 1 99 99 THR N N 188 114.500 114.500 115.951 -1.451 17780 10081 1 16 . 1 1 99 99 THR HA H 188 4.090 4.090 3.670 0.420 17780 10082 1 16 . 1 1 99 99 THR CA C 188 66.210 66.210 65.741 0.469 17780 10083 1 16 . 1 1 99 99 THR CB C 188 68.800 68.800 68.544 0.256 17780 10084 1 16 . 1 1 99 99 THR H H 188 8.440 8.440 8.385 0.055 17780 10085 1 16 . 1 1 100 100 VAL N N 189 122.934 122.934 119.905 3.029 17780 10086 1 16 . 1 1 100 100 VAL HA H 189 3.838 3.838 3.780 0.058 17780 10087 1 16 . 1 1 100 100 VAL CA C 189 65.832 65.832 65.831 0.001 17780 10088 1 16 . 1 1 100 100 VAL CB C 189 31.897 31.897 32.049 -0.152 17780 10089 1 16 . 1 1 100 100 VAL H H 189 8.057 8.057 8.017 0.040 17780 10090 1 16 . 1 1 101 101 THR N N 190 115.101 115.101 110.108 4.993 17780 10091 1 16 . 1 1 101 101 THR HA H 190 4.140 4.140 4.190 -0.050 17780 10092 1 16 . 1 1 101 101 THR CA C 190 64.907 64.907 65.797 -0.890 17780 10093 1 16 . 1 1 101 101 THR CB C 190 69.041 69.041 68.467 0.574 17780 10094 1 16 . 1 1 101 101 THR H H 190 8.131 8.131 7.327 0.804 17780 10095 1 16 . 1 1 102 102 THR N N 191 114.546 114.546 119.477 -4.931 17780 10096 1 16 . 1 1 102 102 THR HA H 191 4.092 4.092 3.840 0.252 17780 10097 1 16 . 1 1 102 102 THR CA C 191 64.801 64.801 67.856 -3.055 17780 10098 1 16 . 1 1 102 102 THR CB C 191 69.145 69.145 68.256 0.889 17780 10099 1 16 . 1 1 102 102 THR H H 191 8.011 8.011 7.920 0.091 17780 10100 1 16 . 1 1 103 103 THR N N 192 117.876 117.876 112.630 5.246 17780 10101 1 16 . 1 1 103 103 THR HA H 192 4.373 4.373 4.691 -0.318 17780 10102 1 16 . 1 1 103 103 THR CA C 192 64.935 64.935 64.715 0.220 17780 10103 1 16 . 1 1 103 103 THR CB C 192 69.043 69.043 68.625 0.418 17780 10104 1 16 . 1 1 103 103 THR H H 192 8.224 8.224 7.538 0.686 17780 10105 1 16 . 1 1 104 104 THR N N 193 116.232 116.232 118.405 -2.173 17780 10106 1 16 . 1 1 104 104 THR HA H 193 4.204 4.204 4.143 0.061 17780 10107 1 16 . 1 1 104 104 THR CA C 193 64.311 64.311 65.827 -1.516 17780 10108 1 16 . 1 1 104 104 THR CB C 193 68.981 68.981 68.660 0.321 17780 10109 1 16 . 1 1 104 104 THR H H 193 7.805 7.805 7.667 0.138 17780 10110 1 16 . 1 1 105 105 LYS N N 194 119.843 119.843 118.790 1.053 17780 10111 1 16 . 1 1 105 105 LYS HA H 194 4.384 4.384 4.433 -0.049 17780 10112 1 16 . 1 1 105 105 LYS CA C 194 56.220 56.220 55.273 0.947 17780 10113 1 16 . 1 1 105 105 LYS CB C 194 32.527 32.527 32.529 -0.002 17780 10114 1 16 . 1 1 105 105 LYS H H 194 7.504 7.504 7.623 -0.119 17780 10115 1 16 . 1 1 106 106 GLY N N 195 107.946 107.946 107.827 0.119 17780 10116 1 16 . 1 1 106 106 GLY CA C 195 45.431 45.431 45.261 0.170 17780 10117 1 16 . 1 1 106 106 GLY H H 195 7.924 7.924 7.675 0.249 17780 10118 1 16 . 1 1 107 107 GLU N N 196 120.063 120.063 120.188 -0.125 17780 10119 1 16 . 1 1 107 107 GLU HA H 196 4.255 4.255 4.643 -0.388 17780 10120 1 16 . 1 1 107 107 GLU CA C 196 55.597 55.597 54.801 0.796 17780 10121 1 16 . 1 1 107 107 GLU CB C 196 31.073 31.073 32.446 -1.373 17780 10122 1 16 . 1 1 107 107 GLU H H 196 7.465 7.465 8.195 -0.730 17780 10123 1 16 . 1 1 108 108 ASN N N 197 119.350 119.350 118.881 0.469 17780 10124 1 16 . 1 1 108 108 ASN HA H 197 4.657 4.657 5.038 -0.381 17780 10125 1 16 . 1 1 108 108 ASN CA C 197 52.673 52.673 53.083 -0.409 17780 10126 1 16 . 1 1 108 108 ASN CB C 197 40.827 40.827 39.932 0.895 17780 10127 1 16 . 1 1 108 108 ASN H H 197 8.458 8.458 8.599 -0.141 17780 10128 1 16 . 1 1 109 109 PHE N N 198 121.688 121.688 121.367 0.321 17780 10129 1 16 . 1 1 109 109 PHE HA H 198 5.317 5.317 4.811 0.506 17780 10130 1 16 . 1 1 109 109 PHE CA C 198 56.571 56.571 56.739 -0.168 17780 10131 1 16 . 1 1 109 109 PHE CB C 198 40.093 40.093 42.258 -2.164 17780 10132 1 16 . 1 1 109 109 PHE H H 198 8.709 8.709 8.609 0.100 17780 10133 1 16 . 1 1 110 110 THR N N 199 115.904 115.904 114.026 1.878 17780 10134 1 16 . 1 1 110 110 THR HA H 199 4.624 4.624 4.470 0.154 17780 10135 1 16 . 1 1 110 110 THR CA C 199 60.343 60.343 61.020 -0.678 17780 10136 1 16 . 1 1 110 110 THR CB C 199 72.033 72.033 70.588 1.446 17780 10137 1 16 . 1 1 110 110 THR H H 199 9.547 9.547 8.131 1.416 17780 10138 1 16 . 1 1 111 111 GLU N N 200 119.988 119.988 121.094 -1.106 17780 10139 1 16 . 1 1 111 111 GLU HA H 200 4.067 4.067 3.972 0.095 17780 10140 1 16 . 1 1 111 111 GLU CA C 200 60.027 60.027 59.807 0.220 17780 10141 1 16 . 1 1 111 111 GLU CB C 200 28.976 28.976 28.612 0.364 17780 10142 1 16 . 1 1 111 111 GLU H H 200 9.132 9.132 8.967 0.165 17780 10143 1 16 . 1 1 112 112 THR N N 201 116.221 116.221 115.925 0.296 17780 10144 1 16 . 1 1 112 112 THR HA H 201 3.796 3.796 4.113 -0.317 17780 10145 1 16 . 1 1 112 112 THR CA C 201 66.781 66.781 66.914 -0.133 17780 10146 1 16 . 1 1 112 112 THR CB C 201 68.581 68.581 68.303 0.278 17780 10147 1 16 . 1 1 112 112 THR H H 201 7.934 7.934 8.146 -0.212 17780 10148 1 16 . 1 1 113 113 ASP N N 202 120.001 120.001 122.259 -2.258 17780 10149 1 16 . 1 1 113 113 ASP HA H 202 4.598 4.598 4.601 -0.003 17780 10150 1 16 . 1 1 113 113 ASP CA C 202 57.984 57.984 57.520 0.464 17780 10151 1 16 . 1 1 113 113 ASP CB C 202 41.756 41.756 40.909 0.847 17780 10152 1 16 . 1 1 113 113 ASP H H 202 7.503 7.503 7.708 -0.205 17780 10153 1 16 . 1 1 114 114 VAL N N 203 119.529 119.529 119.335 0.194 17780 10154 1 16 . 1 1 114 114 VAL HA H 203 3.279 3.279 3.605 -0.326 17780 10155 1 16 . 1 1 114 114 VAL CA C 203 67.817 67.817 66.125 1.692 17780 10156 1 16 . 1 1 114 114 VAL CB C 203 31.528 31.528 31.413 0.115 17780 10157 1 16 . 1 1 114 114 VAL H H 203 8.209 8.209 7.787 0.422 17780 10158 1 16 . 1 1 115 115 LYS N N 204 119.051 119.051 120.627 -1.576 17780 10159 1 16 . 1 1 115 115 LYS HA H 204 4.082 4.082 4.337 -0.255 17780 10160 1 16 . 1 1 115 115 LYS CA C 204 59.268 59.268 59.423 -0.155 17780 10161 1 16 . 1 1 115 115 LYS CB C 204 31.979 31.979 32.682 -0.703 17780 10162 1 16 . 1 1 115 115 LYS H H 204 7.714 7.714 8.192 -0.478 17780 10163 1 16 . 1 1 116 116 MET N N 205 118.581 118.581 116.057 2.524 17780 10164 1 16 . 1 1 116 116 MET HA H 205 4.167 4.167 4.442 -0.275 17780 10165 1 16 . 1 1 116 116 MET CA C 205 59.984 59.984 58.551 1.433 17780 10166 1 16 . 1 1 116 116 MET CB C 205 32.933 32.933 33.113 -0.180 17780 10167 1 16 . 1 1 116 116 MET H H 205 8.182 8.182 8.268 -0.086 17780 10168 1 16 . 1 1 117 117 MET N N 206 118.259 118.259 117.750 0.509 17780 10169 1 16 . 1 1 117 117 MET HA H 206 3.561 3.561 4.022 -0.461 17780 10170 1 16 . 1 1 117 117 MET CA C 206 59.967 59.967 58.336 1.631 17780 10171 1 16 . 1 1 117 117 MET CB C 206 33.824 33.824 31.586 2.238 17780 10172 1 16 . 1 1 117 117 MET H H 206 8.691 8.691 7.528 1.163 17780 10173 1 16 . 1 1 118 118 GLU N N 207 118.878 118.878 120.252 -1.374 17780 10174 1 16 . 1 1 118 118 GLU HA H 207 3.658 3.658 3.880 -0.222 17780 10175 1 16 . 1 1 118 118 GLU CA C 207 60.702 60.702 59.458 1.244 17780 10176 1 16 . 1 1 118 118 GLU CB C 207 29.000 29.000 29.307 -0.307 17780 10177 1 16 . 1 1 118 118 GLU H H 207 8.544 8.544 8.076 0.468 17780 10178 1 16 . 1 1 119 119 ARG N N 208 116.694 116.694 118.233 -1.539 17780 10179 1 16 . 1 1 119 119 ARG HA H 208 4.228 4.228 4.052 0.176 17780 10180 1 16 . 1 1 119 119 ARG CA C 208 58.554 58.554 58.709 -0.155 17780 10181 1 16 . 1 1 119 119 ARG CB C 208 30.136 30.136 29.564 0.572 17780 10182 1 16 . 1 1 119 119 ARG H H 208 7.289 7.289 7.633 -0.344 17780 10183 1 16 . 1 1 120 120 VAL N N 209 119.035 119.035 118.876 0.159 17780 10184 1 16 . 1 1 120 120 VAL HA H 209 3.837 3.837 3.807 0.030 17780 10185 1 16 . 1 1 120 120 VAL CA C 209 65.766 65.766 65.808 -0.042 17780 10186 1 16 . 1 1 120 120 VAL CB C 209 32.213 32.213 31.572 0.641 17780 10187 1 16 . 1 1 120 120 VAL H H 209 8.279 8.279 7.402 0.877 17780 10188 1 16 . 1 1 121 121 VAL N N 210 121.668 121.668 115.751 5.917 17780 10189 1 16 . 1 1 121 121 VAL HA H 210 3.597 3.597 3.846 -0.249 17780 10190 1 16 . 1 1 121 121 VAL CA C 210 66.639 66.639 65.246 1.393 17780 10191 1 16 . 1 1 121 121 VAL CB C 210 31.097 31.097 30.886 0.211 17780 10192 1 16 . 1 1 121 121 VAL H H 210 9.183 9.183 7.734 1.449 17780 10193 1 16 . 1 1 122 122 GLU N N 211 120.770 120.770 120.308 0.462 17780 10194 1 16 . 1 1 122 122 GLU HA H 211 3.603 3.603 3.837 -0.234 17780 10195 1 16 . 1 1 122 122 GLU CA C 211 61.132 61.132 60.038 1.094 17780 10196 1 16 . 1 1 122 122 GLU CB C 211 29.153 29.153 28.968 0.184 17780 10197 1 16 . 1 1 122 122 GLU H H 211 8.041 8.041 7.758 0.283 17780 10198 1 16 . 1 1 123 123 GLN N N 212 114.580 114.580 117.648 -3.068 17780 10199 1 16 . 1 1 123 123 GLN HA H 212 3.662 3.662 4.122 -0.460 17780 10200 1 16 . 1 1 123 123 GLN CA C 212 58.509 58.509 57.863 0.646 17780 10201 1 16 . 1 1 123 123 GLN CB C 212 27.824 27.824 27.951 -0.128 17780 10202 1 16 . 1 1 123 123 GLN H H 212 7.096 7.096 7.868 -0.772 17780 10203 1 16 . 1 1 124 124 MET N N 213 119.748 119.748 120.350 -0.602 17780 10204 1 16 . 1 1 124 124 MET HA H 213 4.167 4.167 4.160 0.007 17780 10205 1 16 . 1 1 124 124 MET CA C 213 59.928 59.928 59.558 0.370 17780 10206 1 16 . 1 1 124 124 MET CB C 213 34.529 34.529 32.659 1.870 17780 10207 1 16 . 1 1 124 124 MET H H 213 8.145 8.145 7.882 0.263 17780 10208 1 16 . 1 1 125 125 CYS N N 214 119.538 119.538 119.002 0.536 17780 10209 1 16 . 1 1 125 125 CYS HA H 214 4.427 4.427 4.177 0.250 17780 10210 1 16 . 1 1 125 125 CYS CA C 214 59.838 59.838 62.051 -2.213 17780 10211 1 16 . 1 1 125 125 CYS CB C 214 41.798 41.798 25.623 16.175 17780 10212 1 16 . 1 1 125 125 CYS H H 214 9.275 9.275 7.904 1.371 17780 10213 1 16 . 1 1 126 126 ILE N N 215 123.982 123.982 120.853 3.129 17780 10214 1 16 . 1 1 126 126 ILE HA H 215 3.579 3.579 3.781 -0.202 17780 10215 1 16 . 1 1 126 126 ILE CA C 215 66.649 66.649 65.410 1.239 17780 10216 1 16 . 1 1 126 126 ILE CB C 215 38.152 38.152 37.934 0.218 17780 10217 1 16 . 1 1 126 126 ILE H H 215 8.434 8.434 7.685 0.749 17780 10218 1 16 . 1 1 127 127 THR N N 216 118.728 118.728 116.818 1.910 17780 10219 1 16 . 1 1 127 127 THR HA H 216 3.835 3.835 3.906 -0.071 17780 10220 1 16 . 1 1 127 127 THR CA C 216 67.425 67.425 67.097 0.328 17780 10221 1 16 . 1 1 127 127 THR CB C 216 68.035 68.035 68.504 -0.469 17780 10222 1 16 . 1 1 127 127 THR H H 216 8.097 8.097 7.940 0.157 17780 10223 1 16 . 1 1 128 128 GLN N N 217 122.368 122.368 120.173 2.195 17780 10224 1 16 . 1 1 128 128 GLN HA H 217 3.662 3.662 4.099 -0.437 17780 10225 1 16 . 1 1 128 128 GLN CA C 217 58.462 58.462 58.410 0.052 17780 10226 1 16 . 1 1 128 128 GLN CB C 217 28.075 28.075 28.277 -0.202 17780 10227 1 16 . 1 1 128 128 GLN H H 217 8.637 8.637 7.638 0.999 17780 10228 1 16 . 1 1 129 129 TYR N N 218 121.512 121.512 122.568 -1.056 17780 10229 1 16 . 1 1 129 129 TYR HA H 218 2.929 2.929 3.975 -1.046 17780 10230 1 16 . 1 1 129 129 TYR CA C 218 61.904 61.904 61.843 0.061 17780 10231 1 16 . 1 1 129 129 TYR CB C 218 37.075 37.075 38.433 -1.358 17780 10232 1 16 . 1 1 129 129 TYR H H 218 8.705 8.705 8.954 -0.249 17780 10233 1 16 . 1 1 130 130 LYS N N 219 120.801 120.801 117.717 3.084 17780 10234 1 16 . 1 1 130 130 LYS HA H 219 3.667 3.667 3.821 -0.154 17780 10235 1 16 . 1 1 130 130 LYS CA C 219 60.001 60.001 57.443 2.558 17780 10236 1 16 . 1 1 130 130 LYS CB C 219 31.732 31.732 31.759 -0.027 17780 10237 1 16 . 1 1 130 130 LYS H H 219 8.232 8.232 8.452 -0.220 17780 10238 1 16 . 1 1 131 131 ARG HA H 220 3.978 3.978 4.004 -0.026 17780 10239 1 16 . 1 1 131 131 ARG CA C 220 59.013 59.013 58.596 0.416 17780 10240 1 16 . 1 1 131 131 ARG CB C 220 30.028 30.028 30.093 -0.065 17780 10241 1 16 . 1 1 132 132 GLU N N 221 119.690 119.690 117.662 2.028 17780 10242 1 16 . 1 1 132 132 GLU HA H 221 4.035 4.035 4.190 -0.155 17780 10243 1 16 . 1 1 132 132 GLU CA C 221 58.006 58.006 58.512 -0.506 17780 10244 1 16 . 1 1 132 132 GLU CB C 221 29.270 29.270 29.813 -0.543 17780 10245 1 16 . 1 1 132 132 GLU H H 221 8.521 8.521 8.155 0.366 17780 10246 1 16 . 1 1 133 133 SER N N 222 115.963 115.963 115.109 0.854 17780 10247 1 16 . 1 1 133 133 SER HA H 222 3.884 3.884 3.876 0.008 17780 10248 1 16 . 1 1 133 133 SER CA C 222 61.500 61.500 61.017 0.483 17780 10249 1 16 . 1 1 133 133 SER CB C 222 62.207 62.207 62.236 -0.029 17780 10250 1 16 . 1 1 133 133 SER H H 222 8.543 8.543 8.176 0.367 17780 10251 1 16 . 1 1 134 134 GLN N N 223 120.695 120.695 120.906 -0.211 17780 10252 1 16 . 1 1 134 134 GLN HA H 223 4.152 4.152 3.597 0.555 17780 10253 1 16 . 1 1 134 134 GLN CA C 223 58.646 58.646 58.148 0.498 17780 10254 1 16 . 1 1 134 134 GLN CB C 223 28.299 28.299 28.233 0.066 17780 10255 1 16 . 1 1 134 134 GLN H H 223 7.486 7.486 7.427 0.059 17780 10256 1 16 . 1 1 135 135 ALA N N 224 120.905 120.905 121.229 -0.324 17780 10257 1 16 . 1 1 135 135 ALA HA H 224 4.169 4.169 4.070 0.099 17780 10258 1 16 . 1 1 135 135 ALA CA C 224 54.404 54.404 54.512 -0.108 17780 10259 1 16 . 1 1 135 135 ALA CB C 224 18.233 18.233 18.163 0.070 17780 10260 1 16 . 1 1 135 135 ALA H H 224 7.497 7.497 7.350 0.147 17780 10261 1 16 . 1 1 136 136 TYR N N 225 119.969 119.969 120.656 -0.687 17780 10262 1 16 . 1 1 136 136 TYR HA H 225 4.080 4.080 4.027 0.053 17780 10263 1 16 . 1 1 136 136 TYR CA C 225 61.060 61.060 60.997 0.063 17780 10264 1 16 . 1 1 136 136 TYR CB C 225 39.008 39.008 38.416 0.591 17780 10265 1 16 . 1 1 136 136 TYR H H 225 8.215 8.215 7.415 0.800 17780 10266 1 16 . 1 1 137 137 TYR N N 226 117.988 117.988 117.059 0.929 17780 10267 1 16 . 1 1 137 137 TYR HA H 226 4.319 4.319 3.910 0.409 17780 10268 1 16 . 1 1 137 137 TYR CA C 226 59.543 59.543 58.405 1.138 17780 10269 1 16 . 1 1 137 137 TYR CB C 226 37.769 37.769 36.616 1.153 17780 10270 1 16 . 1 1 137 137 TYR H H 226 8.022 8.022 8.363 -0.341 17780 10271 1 16 . 1 1 138 138 GLN N N 227 118.911 118.911 118.396 0.515 17780 10272 1 16 . 1 1 138 138 GLN HA H 227 4.189 4.189 4.199 -0.010 17780 10273 1 16 . 1 1 138 138 GLN CA C 227 57.002 57.002 56.863 0.139 17780 10274 1 16 . 1 1 138 138 GLN CB C 227 28.740 28.740 27.582 1.157 17780 10275 1 16 . 1 1 138 138 GLN H H 227 7.838 7.838 7.545 0.293 17780 10276 1 16 . 1 1 139 139 ARG N N 228 119.910 119.910 119.360 0.550 17780 10277 1 16 . 1 1 139 139 ARG HA H 228 4.207 4.207 4.194 0.013 17780 10278 1 16 . 1 1 139 139 ARG CA C 228 57.338 57.338 57.177 0.161 17780 10279 1 16 . 1 1 139 139 ARG CB C 228 30.390 30.390 29.781 0.609 17780 10280 1 16 . 1 1 139 139 ARG H H 228 7.862 7.862 7.981 -0.119 17780 10281 1 16 . 1 1 140 140 GLY N N 229 108.627 108.627 105.982 2.645 17780 10282 1 16 . 1 1 140 140 GLY CA C 229 45.477 45.477 45.005 0.472 17780 10283 1 16 . 1 1 140 140 GLY H H 229 8.092 8.092 7.790 0.301 17780 10284 1 16 . 1 1 141 141 SER N N 230 115.141 115.141 116.623 -1.482 17780 10285 1 16 . 1 1 141 141 SER HA H 230 4.330 4.330 4.704 -0.374 17780 10286 1 16 . 1 1 141 141 SER CA C 230 58.650 58.650 58.372 0.278 17780 10287 1 16 . 1 1 141 141 SER CB C 230 63.641 63.641 64.466 -0.826 17780 10288 1 16 . 1 1 141 141 SER H H 230 8.050 8.050 7.572 0.478 17780 10289 1 17 . 1 1 2 2 GLN N N 91 119.729 119.729 118.256 1.473 17780 10290 1 17 . 1 1 2 2 GLN HA H 91 4.407 4.407 5.067 -0.660 17780 10291 1 17 . 1 1 2 2 GLN CA C 91 55.969 55.969 55.192 0.777 17780 10292 1 17 . 1 1 2 2 GLN CB C 91 29.576 29.576 31.746 -2.170 17780 10293 1 17 . 1 1 2 2 GLN H H 91 8.267 8.267 9.627 -1.360 17780 10294 1 17 . 1 1 3 3 GLY N N 92 110.081 110.081 107.958 2.123 17780 10295 1 17 . 1 1 3 3 GLY CA C 92 45.115 45.115 46.059 -0.944 17780 10296 1 17 . 1 1 3 3 GLY H H 92 8.515 8.515 8.678 -0.163 17780 10297 1 17 . 1 1 4 4 GLY N N 93 108.748 108.748 107.464 1.284 17780 10298 1 17 . 1 1 4 4 GLY CA C 93 45.228 45.228 45.130 0.098 17780 10299 1 17 . 1 1 4 4 GLY H H 93 8.331 8.331 8.213 0.118 17780 10300 1 17 . 1 1 5 5 GLY N N 94 108.857 108.857 107.655 1.202 17780 10301 1 17 . 1 1 5 5 GLY CA C 94 45.172 45.172 44.362 0.810 17780 10302 1 17 . 1 1 5 5 GLY H H 94 8.362 8.362 8.312 0.050 17780 10303 1 17 . 1 1 6 6 THR N N 95 113.538 113.538 112.031 1.507 17780 10304 1 17 . 1 1 6 6 THR HA H 95 4.282 4.282 4.585 -0.303 17780 10305 1 17 . 1 1 6 6 THR CA C 95 61.906 61.906 61.291 0.615 17780 10306 1 17 . 1 1 6 6 THR CB C 95 69.711 69.711 70.142 -0.431 17780 10307 1 17 . 1 1 6 6 THR H H 95 8.129 8.129 7.877 0.252 17780 10308 1 17 . 1 1 7 7 HIS N N 96 121.027 121.027 118.997 2.030 17780 10309 1 17 . 1 1 7 7 HIS HA H 96 4.713 4.713 5.015 -0.302 17780 10310 1 17 . 1 1 7 7 HIS CA C 96 55.169 55.169 55.278 -0.109 17780 10311 1 17 . 1 1 7 7 HIS CB C 96 29.575 29.575 32.286 -2.711 17780 10312 1 17 . 1 1 7 7 HIS H H 96 8.497 8.497 8.990 -0.493 17780 10313 1 17 . 1 1 8 8 SER N N 97 117.031 117.031 116.367 0.664 17780 10314 1 17 . 1 1 8 8 SER HA H 97 4.405 4.405 4.645 -0.240 17780 10315 1 17 . 1 1 8 8 SER CA C 97 58.379 58.379 57.447 0.932 17780 10316 1 17 . 1 1 8 8 SER CB C 97 63.535 63.535 65.311 -1.776 17780 10317 1 17 . 1 1 8 8 SER H H 97 8.275 8.275 8.512 -0.237 17780 10318 1 17 . 1 1 9 9 GLN N N 98 122.084 122.084 121.029 1.055 17780 10319 1 17 . 1 1 9 9 GLN HA H 98 4.279 4.279 4.716 -0.437 17780 10320 1 17 . 1 1 9 9 GLN CA C 98 55.970 55.970 55.509 0.461 17780 10321 1 17 . 1 1 9 9 GLN CB C 98 29.157 29.157 30.314 -1.157 17780 10322 1 17 . 1 1 9 9 GLN H H 98 8.462 8.462 8.416 0.046 17780 10323 1 17 . 1 1 10 10 TRP N N 99 121.630 121.630 126.293 -4.663 17780 10324 1 17 . 1 1 10 10 TRP HA H 99 4.676 4.676 4.814 -0.138 17780 10325 1 17 . 1 1 10 10 TRP CA C 99 57.046 57.046 57.178 -0.132 17780 10326 1 17 . 1 1 10 10 TRP CB C 99 29.440 29.440 30.355 -0.915 17780 10327 1 17 . 1 1 10 10 TRP H H 99 8.086 8.086 8.598 -0.512 17780 10328 1 17 . 1 1 11 11 ASN N N 100 120.591 120.591 120.828 -0.237 17780 10329 1 17 . 1 1 11 11 ASN HA H 100 4.602 4.602 4.208 0.394 17780 10330 1 17 . 1 1 11 11 ASN CA C 100 52.675 52.675 51.298 1.377 17780 10331 1 17 . 1 1 11 11 ASN CB C 100 38.781 38.781 40.663 -1.882 17780 10332 1 17 . 1 1 11 11 ASN H H 100 8.095 8.095 7.738 0.357 17780 10333 1 17 . 1 1 12 12 LYS N N 101 122.656 122.656 120.245 2.411 17780 10334 1 17 . 1 1 12 12 LYS HA H 101 4.435 4.435 4.069 0.366 17780 10335 1 17 . 1 1 12 12 LYS CA C 101 54.139 54.139 54.499 -0.360 17780 10336 1 17 . 1 1 12 12 LYS CB C 101 32.474 32.474 32.126 0.348 17780 10337 1 17 . 1 1 12 12 LYS H H 101 7.985 7.985 7.967 0.018 17780 10338 1 17 . 1 1 13 13 PRO HA H 102 4.425 4.425 4.345 0.080 17780 10339 1 17 . 1 1 13 13 PRO CA C 102 63.065 63.065 63.247 -0.182 17780 10340 1 17 . 1 1 13 13 PRO CB C 102 32.056 32.056 32.152 -0.096 17780 10341 1 17 . 1 1 14 14 SER N N 103 116.881 116.881 115.259 1.622 17780 10342 1 17 . 1 1 14 14 SER HA H 103 4.430 4.430 4.260 0.170 17780 10343 1 17 . 1 1 14 14 SER CA C 103 57.973 57.973 58.855 -0.881 17780 10344 1 17 . 1 1 14 14 SER CB C 103 63.669 63.669 63.264 0.404 17780 10345 1 17 . 1 1 14 14 SER H H 103 8.420 8.420 7.996 0.424 17780 10346 1 17 . 1 1 15 15 LYS N N 104 124.163 124.163 119.782 4.381 17780 10347 1 17 . 1 1 15 15 LYS HA H 104 4.620 4.620 4.713 -0.093 17780 10348 1 17 . 1 1 15 15 LYS CA C 104 54.160 54.160 54.843 -0.683 17780 10349 1 17 . 1 1 15 15 LYS CB C 104 32.606 32.606 32.995 -0.389 17780 10350 1 17 . 1 1 15 15 LYS H H 104 8.321 8.321 8.183 0.138 17780 10351 1 17 . 1 1 16 16 PRO HA H 105 4.412 4.412 4.534 -0.122 17780 10352 1 17 . 1 1 16 16 PRO CA C 105 63.012 63.012 62.694 0.318 17780 10353 1 17 . 1 1 16 16 PRO CB C 105 32.152 32.152 32.600 -0.448 17780 10354 1 17 . 1 1 17 17 LYS N N 106 122.072 122.072 120.909 1.163 17780 10355 1 17 . 1 1 17 17 LYS HA H 106 4.338 4.338 4.421 -0.083 17780 10356 1 17 . 1 1 17 17 LYS CA C 106 56.299 56.299 56.004 0.295 17780 10357 1 17 . 1 1 17 17 LYS CB C 106 32.928 32.928 32.926 0.002 17780 10358 1 17 . 1 1 17 17 LYS H H 106 8.516 8.516 8.223 0.293 17780 10359 1 17 . 1 1 18 18 THR N N 107 115.252 115.252 114.882 0.370 17780 10360 1 17 . 1 1 18 18 THR HA H 107 4.323 4.323 4.531 -0.208 17780 10361 1 17 . 1 1 18 18 THR CA C 107 61.523 61.523 61.696 -0.173 17780 10362 1 17 . 1 1 18 18 THR CB C 107 69.778 69.778 69.688 0.090 17780 10363 1 17 . 1 1 18 18 THR H H 107 8.133 8.133 8.310 -0.177 17780 10364 1 17 . 1 1 19 19 ASN N N 108 121.344 121.344 121.500 -0.156 17780 10365 1 17 . 1 1 19 19 ASN HA H 108 4.712 4.712 4.980 -0.268 17780 10366 1 17 . 1 1 19 19 ASN CA C 108 53.019 53.019 52.892 0.127 17780 10367 1 17 . 1 1 19 19 ASN CB C 108 38.728 38.728 39.715 -0.987 17780 10368 1 17 . 1 1 19 19 ASN H H 108 8.537 8.537 8.528 0.009 17780 10369 1 17 . 1 1 20 20 MET N N 109 121.309 121.309 118.564 2.745 17780 10370 1 17 . 1 1 20 20 MET HA H 109 4.437 4.437 4.699 -0.262 17780 10371 1 17 . 1 1 20 20 MET CA C 109 55.446 55.446 54.992 0.454 17780 10372 1 17 . 1 1 20 20 MET CB C 109 32.809 32.809 34.956 -2.147 17780 10373 1 17 . 1 1 20 20 MET H H 109 8.346 8.346 8.224 0.122 17780 10374 1 17 . 1 1 21 21 LYS N N 110 122.292 122.292 120.137 2.155 17780 10375 1 17 . 1 1 21 21 LYS HA H 110 4.237 4.237 4.363 -0.126 17780 10376 1 17 . 1 1 21 21 LYS CA C 110 56.394 56.394 55.528 0.866 17780 10377 1 17 . 1 1 21 21 LYS CB C 110 32.923 32.923 35.222 -2.300 17780 10378 1 17 . 1 1 21 21 LYS H H 110 8.300 8.300 8.163 0.137 17780 10379 1 17 . 1 1 22 22 HIS N N 111 120.193 120.193 119.834 0.359 17780 10380 1 17 . 1 1 22 22 HIS HA H 111 4.642 4.642 4.857 -0.215 17780 10381 1 17 . 1 1 22 22 HIS CA C 111 55.391 55.391 55.793 -0.402 17780 10382 1 17 . 1 1 22 22 HIS CB C 111 29.501 29.501 31.402 -1.901 17780 10383 1 17 . 1 1 22 22 HIS H H 111 8.406 8.406 8.397 0.009 17780 10384 1 17 . 1 1 23 23 MET N N 112 122.529 122.529 123.759 -1.230 17780 10385 1 17 . 1 1 23 23 MET HA H 112 4.464 4.464 4.656 -0.192 17780 10386 1 17 . 1 1 23 23 MET CA C 112 55.125 55.125 55.232 -0.107 17780 10387 1 17 . 1 1 23 23 MET CB C 112 32.930 32.930 33.448 -0.518 17780 10388 1 17 . 1 1 23 23 MET H H 112 8.326 8.326 8.584 -0.258 17780 10389 1 17 . 1 1 24 24 ALA N N 113 125.642 125.642 124.715 0.927 17780 10390 1 17 . 1 1 24 24 ALA HA H 113 4.315 4.315 4.569 -0.254 17780 10391 1 17 . 1 1 24 24 ALA CA C 113 52.521 52.521 52.271 0.250 17780 10392 1 17 . 1 1 24 24 ALA CB C 113 19.181 19.181 19.447 -0.266 17780 10393 1 17 . 1 1 24 24 ALA H H 113 8.370 8.370 8.274 0.096 17780 10394 1 17 . 1 1 25 25 GLY N N 114 108.473 108.473 109.363 -0.890 17780 10395 1 17 . 1 1 25 25 GLY CA C 114 45.175 45.175 45.414 -0.239 17780 10396 1 17 . 1 1 25 25 GLY H H 114 8.373 8.373 8.572 -0.199 17780 10397 1 17 . 1 1 26 26 ALA N N 115 123.872 123.872 124.035 -0.163 17780 10398 1 17 . 1 1 26 26 ALA HA H 115 4.316 4.316 4.954 -0.638 17780 10399 1 17 . 1 1 26 26 ALA CA C 115 52.496 52.496 52.166 0.330 17780 10400 1 17 . 1 1 26 26 ALA CB C 115 19.181 19.181 19.355 -0.174 17780 10401 1 17 . 1 1 26 26 ALA H H 115 8.134 8.134 7.982 0.152 17780 10402 1 17 . 1 1 27 27 ALA N N 116 123.172 123.172 124.610 -1.438 17780 10403 1 17 . 1 1 27 27 ALA HA H 116 4.287 4.287 4.802 -0.515 17780 10404 1 17 . 1 1 27 27 ALA CA C 116 52.464 52.464 52.114 0.350 17780 10405 1 17 . 1 1 27 27 ALA CB C 116 19.180 19.180 20.236 -1.056 17780 10406 1 17 . 1 1 27 27 ALA H H 116 8.268 8.268 8.320 -0.052 17780 10407 1 17 . 1 1 28 28 ALA N N 117 123.253 123.253 122.578 0.675 17780 10408 1 17 . 1 1 28 28 ALA HA H 117 4.277 4.277 5.367 -1.090 17780 10409 1 17 . 1 1 28 28 ALA CA C 117 52.383 52.383 52.078 0.305 17780 10410 1 17 . 1 1 28 28 ALA CB C 117 19.156 19.156 20.487 -1.331 17780 10411 1 17 . 1 1 28 28 ALA H H 117 8.169 8.169 10.491 -2.322 17780 10412 1 17 . 1 1 29 29 ALA N N 118 123.225 123.225 121.255 1.970 17780 10413 1 17 . 1 1 29 29 ALA HA H 118 4.282 4.282 5.277 -0.995 17780 10414 1 17 . 1 1 29 29 ALA CA C 118 52.469 52.469 52.047 0.423 17780 10415 1 17 . 1 1 29 29 ALA CB C 118 19.129 19.129 20.742 -1.613 17780 10416 1 17 . 1 1 29 29 ALA H H 118 8.204 8.204 10.268 -2.064 17780 10417 1 17 . 1 1 30 30 GLY N N 119 107.906 107.906 106.906 1.000 17780 10418 1 17 . 1 1 30 30 GLY CA C 119 45.089 45.089 45.175 -0.086 17780 10419 1 17 . 1 1 30 30 GLY H H 119 8.271 8.271 8.438 -0.167 17780 10420 1 17 . 1 1 31 31 ALA N N 120 123.540 123.540 125.744 -2.204 17780 10421 1 17 . 1 1 31 31 ALA HA H 120 4.339 4.339 4.366 -0.027 17780 10422 1 17 . 1 1 31 31 ALA CA C 120 52.282 52.282 52.703 -0.421 17780 10423 1 17 . 1 1 31 31 ALA CB C 120 19.432 19.432 18.980 0.452 17780 10424 1 17 . 1 1 31 31 ALA H H 120 8.039 8.039 7.905 0.134 17780 10425 1 17 . 1 1 32 32 VAL N N 121 119.579 119.579 116.073 3.506 17780 10426 1 17 . 1 1 32 32 VAL HA H 121 4.117 4.117 3.730 0.387 17780 10427 1 17 . 1 1 32 32 VAL CA C 121 62.142 62.142 63.102 -0.960 17780 10428 1 17 . 1 1 32 32 VAL CB C 121 32.673 32.673 29.819 2.854 17780 10429 1 17 . 1 1 32 32 VAL H H 121 8.109 8.109 8.683 -0.574 17780 10430 1 17 . 1 1 33 33 VAL N N 122 124.655 124.655 121.166 3.489 17780 10431 1 17 . 1 1 33 33 VAL HA H 122 4.081 4.081 3.976 0.105 17780 10432 1 17 . 1 1 33 33 VAL CA C 122 62.430 62.430 63.474 -1.044 17780 10433 1 17 . 1 1 33 33 VAL CB C 122 32.675 32.675 32.388 0.287 17780 10434 1 17 . 1 1 33 33 VAL H H 122 8.262 8.262 7.492 0.770 17780 10435 1 17 . 1 1 34 34 GLY N N 123 113.165 113.165 112.505 0.660 17780 10436 1 17 . 1 1 34 34 GLY CA C 123 45.264 45.264 45.352 -0.088 17780 10437 1 17 . 1 1 34 34 GLY H H 123 8.528 8.528 8.854 -0.326 17780 10438 1 17 . 1 1 35 35 GLY N N 124 108.440 108.440 106.399 2.041 17780 10439 1 17 . 1 1 35 35 GLY CA C 124 45.264 45.264 45.026 0.238 17780 10440 1 17 . 1 1 35 35 GLY H H 124 8.245 8.245 8.437 -0.192 17780 10441 1 17 . 1 1 36 36 LEU N N 125 121.679 121.679 121.377 0.302 17780 10442 1 17 . 1 1 36 36 LEU HA H 125 4.340 4.340 4.065 0.275 17780 10443 1 17 . 1 1 36 36 LEU CA C 125 54.808 54.808 56.279 -1.471 17780 10444 1 17 . 1 1 36 36 LEU CB C 125 42.417 42.417 42.303 0.113 17780 10445 1 17 . 1 1 36 36 LEU H H 125 8.233 8.233 7.489 0.744 17780 10446 1 17 . 1 1 37 37 GLY N N 126 109.818 109.818 106.499 3.319 17780 10447 1 17 . 1 1 37 37 GLY CA C 126 46.266 46.266 45.761 0.505 17780 10448 1 17 . 1 1 37 37 GLY H H 126 8.511 8.511 8.301 0.210 17780 10449 1 17 . 1 1 38 38 GLY N N 127 109.485 109.485 109.664 -0.179 17780 10450 1 17 . 1 1 38 38 GLY CA C 127 45.029 45.029 45.029 -0.000 17780 10451 1 17 . 1 1 38 38 GLY H H 127 8.374 8.374 7.893 0.481 17780 10452 1 17 . 1 1 39 39 TYR N N 128 117.683 117.683 120.085 -2.402 17780 10453 1 17 . 1 1 39 39 TYR HA H 128 4.501 4.501 4.381 0.120 17780 10454 1 17 . 1 1 39 39 TYR CA C 128 58.050 58.050 58.221 -0.171 17780 10455 1 17 . 1 1 39 39 TYR CB C 128 40.362 40.362 38.615 1.747 17780 10456 1 17 . 1 1 39 39 TYR H H 128 7.746 7.746 7.981 -0.235 17780 10457 1 17 . 1 1 40 40 MET N N 129 120.902 120.902 117.665 3.237 17780 10458 1 17 . 1 1 40 40 MET HA H 129 4.534 4.534 4.834 -0.300 17780 10459 1 17 . 1 1 40 40 MET CA C 129 53.516 53.516 53.782 -0.266 17780 10460 1 17 . 1 1 40 40 MET CB C 129 34.851 34.851 36.857 -2.006 17780 10461 1 17 . 1 1 40 40 MET H H 129 9.005 9.005 8.850 0.155 17780 10462 1 17 . 1 1 41 41 LEU N N 130 121.514 121.514 116.348 5.166 17780 10463 1 17 . 1 1 41 41 LEU HA H 130 4.464 4.464 5.097 -0.633 17780 10464 1 17 . 1 1 41 41 LEU CA C 130 53.359 53.359 52.924 0.435 17780 10465 1 17 . 1 1 41 41 LEU CB C 130 43.482 43.482 45.993 -2.511 17780 10466 1 17 . 1 1 41 41 LEU H H 130 8.034 8.034 8.143 -0.109 17780 10467 1 17 . 1 1 42 42 GLY N N 131 114.895 114.895 107.883 7.012 17780 10468 1 17 . 1 1 42 42 GLY CA C 131 44.698 44.698 44.781 -0.083 17780 10469 1 17 . 1 1 42 42 GLY H H 131 9.375 9.375 8.757 0.618 17780 10470 1 17 . 1 1 43 43 SER N N 132 113.692 113.692 117.781 -4.089 17780 10471 1 17 . 1 1 43 43 SER HA H 132 4.429 4.429 4.336 0.093 17780 10472 1 17 . 1 1 43 43 SER CA C 132 58.191 58.191 59.305 -1.114 17780 10473 1 17 . 1 1 43 43 SER CB C 132 63.938 63.938 63.406 0.533 17780 10474 1 17 . 1 1 43 43 SER H H 132 8.345 8.345 8.279 0.066 17780 10475 1 17 . 1 1 44 44 ALA N N 133 125.505 125.505 122.170 3.335 17780 10476 1 17 . 1 1 44 44 ALA HA H 133 4.437 4.437 4.648 -0.211 17780 10477 1 17 . 1 1 44 44 ALA CA C 133 52.936 52.936 51.667 1.268 17780 10478 1 17 . 1 1 44 44 ALA CB C 133 18.412 18.412 21.125 -2.713 17780 10479 1 17 . 1 1 44 44 ALA H H 133 8.735 8.735 8.068 0.667 17780 10480 1 17 . 1 1 45 45 MET N N 134 120.707 120.707 119.833 0.874 17780 10481 1 17 . 1 1 45 45 MET HA H 134 4.756 4.756 4.887 -0.131 17780 10482 1 17 . 1 1 45 45 MET CA C 134 54.242 54.242 54.831 -0.589 17780 10483 1 17 . 1 1 45 45 MET CB C 134 36.727 36.727 35.299 1.428 17780 10484 1 17 . 1 1 45 45 MET H H 134 8.686 8.686 8.412 0.274 17780 10485 1 17 . 1 1 46 46 SER N N 135 116.235 116.235 116.391 -0.156 17780 10486 1 17 . 1 1 46 46 SER HA H 135 4.375 4.375 4.490 -0.115 17780 10487 1 17 . 1 1 46 46 SER CA C 135 58.410 58.410 58.147 0.263 17780 10488 1 17 . 1 1 46 46 SER CB C 135 63.016 63.016 63.660 -0.644 17780 10489 1 17 . 1 1 46 46 SER H H 135 8.397 8.397 8.343 0.054 17780 10490 1 17 . 1 1 47 47 ARG N N 136 126.632 126.632 122.245 4.387 17780 10491 1 17 . 1 1 47 47 ARG HA H 136 4.406 4.406 4.756 -0.350 17780 10492 1 17 . 1 1 47 47 ARG CA C 136 54.783 54.783 52.555 2.228 17780 10493 1 17 . 1 1 47 47 ARG CB C 136 29.040 29.040 29.037 0.003 17780 10494 1 17 . 1 1 47 47 ARG H H 136 8.668 8.668 8.663 0.005 17780 10495 1 17 . 1 1 48 48 PRO HA H 137 4.422 4.422 4.521 -0.099 17780 10496 1 17 . 1 1 48 48 PRO CA C 137 62.327 62.327 62.549 -0.222 17780 10497 1 17 . 1 1 48 48 PRO CB C 137 32.269 32.269 32.373 -0.103 17780 10498 1 17 . 1 1 49 49 ILE N N 138 122.521 122.521 120.535 1.986 17780 10499 1 17 . 1 1 49 49 ILE HA H 138 4.148 4.148 4.018 0.130 17780 10500 1 17 . 1 1 49 49 ILE CA C 138 60.916 60.916 60.637 0.279 17780 10501 1 17 . 1 1 49 49 ILE CB C 138 36.234 36.234 38.469 -2.235 17780 10502 1 17 . 1 1 49 49 ILE H H 138 8.603 8.603 8.050 0.553 17780 10503 1 17 . 1 1 50 50 ILE N N 139 126.683 126.683 125.945 0.738 17780 10504 1 17 . 1 1 50 50 ILE HA H 139 3.927 3.927 3.740 0.187 17780 10505 1 17 . 1 1 50 50 ILE CA C 139 58.700 58.700 58.488 0.212 17780 10506 1 17 . 1 1 50 50 ILE CB C 139 39.345 39.345 41.051 -1.706 17780 10507 1 17 . 1 1 50 50 ILE H H 139 6.514 6.514 7.947 -1.433 17780 10508 1 17 . 1 1 51 51 HIS N N 140 121.997 121.997 122.658 -0.661 17780 10509 1 17 . 1 1 51 51 HIS HA H 140 4.918 4.918 4.753 0.165 17780 10510 1 17 . 1 1 51 51 HIS CA C 140 54.065 54.065 54.469 -0.404 17780 10511 1 17 . 1 1 51 51 HIS CB C 140 29.466 29.466 27.648 1.818 17780 10512 1 17 . 1 1 51 51 HIS H H 140 8.203 8.203 7.346 0.857 17780 10513 1 17 . 1 1 52 52 PHE N N 141 124.334 124.334 124.854 -0.520 17780 10514 1 17 . 1 1 52 52 PHE HA H 141 4.348 4.348 4.403 -0.055 17780 10515 1 17 . 1 1 52 52 PHE CA C 141 59.251 59.251 59.469 -0.218 17780 10516 1 17 . 1 1 52 52 PHE CB C 141 41.448 41.448 40.136 1.312 17780 10517 1 17 . 1 1 52 52 PHE H H 141 10.160 10.160 9.189 0.971 17780 10518 1 17 . 1 1 53 53 GLY N N 142 108.368 108.368 105.438 2.930 17780 10519 1 17 . 1 1 53 53 GLY CA C 142 45.516 45.516 46.108 -0.592 17780 10520 1 17 . 1 1 53 53 GLY H H 142 8.984 8.984 7.726 1.258 17780 10521 1 17 . 1 1 54 54 SER N N 143 111.819 111.819 116.013 -4.194 17780 10522 1 17 . 1 1 54 54 SER HA H 143 4.810 4.810 4.620 0.190 17780 10523 1 17 . 1 1 54 54 SER CA C 143 56.498 56.498 56.256 0.242 17780 10524 1 17 . 1 1 54 54 SER CB C 143 65.964 65.964 65.095 0.869 17780 10525 1 17 . 1 1 54 54 SER H H 143 7.334 7.334 7.517 -0.183 17780 10526 1 17 . 1 1 55 55 ASP N N 144 124.249 124.249 122.549 1.700 17780 10527 1 17 . 1 1 55 55 ASP HA H 144 4.500 4.500 4.397 0.103 17780 10528 1 17 . 1 1 55 55 ASP CA C 144 57.493 57.493 57.471 0.022 17780 10529 1 17 . 1 1 55 55 ASP CB C 144 40.664 40.664 40.601 0.063 17780 10530 1 17 . 1 1 55 55 ASP H H 144 9.014 9.014 8.734 0.280 17780 10531 1 17 . 1 1 56 56 TYR N N 145 118.991 118.991 115.343 3.648 17780 10532 1 17 . 1 1 56 56 TYR HA H 145 4.196 4.196 4.523 -0.327 17780 10533 1 17 . 1 1 56 56 TYR CA C 145 61.351 61.351 59.842 1.509 17780 10534 1 17 . 1 1 56 56 TYR CB C 145 38.075 38.075 37.420 0.655 17780 10535 1 17 . 1 1 56 56 TYR H H 145 8.551 8.551 7.558 0.993 17780 10536 1 17 . 1 1 57 57 GLU N N 146 119.217 119.217 120.721 -1.504 17780 10537 1 17 . 1 1 57 57 GLU HA H 146 3.563 3.563 4.527 -0.964 17780 10538 1 17 . 1 1 57 57 GLU CA C 146 59.921 59.921 59.477 0.445 17780 10539 1 17 . 1 1 57 57 GLU CB C 146 30.297 30.297 29.648 0.649 17780 10540 1 17 . 1 1 57 57 GLU H H 146 7.741 7.741 7.599 0.142 17780 10541 1 17 . 1 1 58 58 ASP N N 147 119.565 119.565 119.464 0.101 17780 10542 1 17 . 1 1 58 58 ASP HA H 147 4.498 4.498 4.739 -0.241 17780 10543 1 17 . 1 1 58 58 ASP CA C 147 58.185 58.185 57.187 0.998 17780 10544 1 17 . 1 1 58 58 ASP CB C 147 40.598 40.598 40.686 -0.088 17780 10545 1 17 . 1 1 58 58 ASP H H 147 8.139 8.139 8.405 -0.266 17780 10546 1 17 . 1 1 59 59 ARG N N 148 120.296 120.296 119.138 1.158 17780 10547 1 17 . 1 1 59 59 ARG HA H 148 4.004 4.004 4.191 -0.187 17780 10548 1 17 . 1 1 59 59 ARG CA C 148 59.393 59.393 59.098 0.295 17780 10549 1 17 . 1 1 59 59 ARG CB C 148 29.910 29.910 30.125 -0.215 17780 10550 1 17 . 1 1 59 59 ARG H H 148 8.181 8.181 7.909 0.272 17780 10551 1 17 . 1 1 60 60 TYR N N 149 121.152 121.152 119.489 1.663 17780 10552 1 17 . 1 1 60 60 TYR HA H 149 3.819 3.819 4.341 -0.522 17780 10553 1 17 . 1 1 60 60 TYR CA C 149 62.195 62.195 59.158 3.037 17780 10554 1 17 . 1 1 60 60 TYR CB C 149 37.808 37.808 37.972 -0.164 17780 10555 1 17 . 1 1 60 60 TYR H H 149 8.333 8.333 7.502 0.831 17780 10556 1 17 . 1 1 61 61 TYR N N 150 120.365 120.365 121.339 -0.974 17780 10557 1 17 . 1 1 61 61 TYR HA H 150 4.122 4.122 3.536 0.586 17780 10558 1 17 . 1 1 61 61 TYR CA C 150 62.969 62.969 60.647 2.322 17780 10559 1 17 . 1 1 61 61 TYR CB C 150 38.207 38.207 37.911 0.296 17780 10560 1 17 . 1 1 61 61 TYR H H 150 8.942 8.942 8.020 0.922 17780 10561 1 17 . 1 1 62 62 ARG N N 151 117.982 117.982 116.567 1.415 17780 10562 1 17 . 1 1 62 62 ARG HA H 151 3.938 3.938 3.479 0.459 17780 10563 1 17 . 1 1 62 62 ARG CA C 151 59.940 59.940 58.328 1.612 17780 10564 1 17 . 1 1 62 62 ARG CB C 151 29.731 29.731 29.757 -0.026 17780 10565 1 17 . 1 1 62 62 ARG H H 151 7.938 7.938 7.376 0.562 17780 10566 1 17 . 1 1 63 63 GLU N N 152 116.389 116.389 118.729 -2.340 17780 10567 1 17 . 1 1 63 63 GLU HA H 152 4.059 4.059 4.045 0.014 17780 10568 1 17 . 1 1 63 63 GLU CA C 152 57.990 57.990 58.989 -0.999 17780 10569 1 17 . 1 1 63 63 GLU CB C 152 29.915 29.915 29.550 0.365 17780 10570 1 17 . 1 1 63 63 GLU H H 152 8.068 8.068 7.791 0.277 17780 10571 1 17 . 1 1 64 64 ASN N N 153 114.690 114.690 116.086 -1.396 17780 10572 1 17 . 1 1 64 64 ASN HA H 153 4.406 4.406 4.419 -0.013 17780 10573 1 17 . 1 1 64 64 ASN CA C 153 54.814 54.814 53.719 1.095 17780 10574 1 17 . 1 1 64 64 ASN CB C 153 41.178 41.178 37.975 3.203 17780 10575 1 17 . 1 1 64 64 ASN H H 153 7.525 7.525 7.512 0.013 17780 10576 1 17 . 1 1 65 65 MET N N 154 119.058 119.058 121.481 -2.423 17780 10577 1 17 . 1 1 65 65 MET HA H 154 3.417 3.417 3.660 -0.243 17780 10578 1 17 . 1 1 65 65 MET CA C 154 59.193 59.193 58.638 0.555 17780 10579 1 17 . 1 1 65 65 MET CB C 154 30.258 30.258 31.838 -1.580 17780 10580 1 17 . 1 1 65 65 MET H H 154 7.993 7.993 7.320 0.673 17780 10581 1 17 . 1 1 66 66 HIS N N 155 116.083 116.083 117.702 -1.619 17780 10582 1 17 . 1 1 66 66 HIS HA H 155 4.208 4.208 4.296 -0.088 17780 10583 1 17 . 1 1 66 66 HIS CA C 155 57.382 57.382 59.125 -1.743 17780 10584 1 17 . 1 1 66 66 HIS CB C 155 28.955 28.955 29.817 -0.862 17780 10585 1 17 . 1 1 66 66 HIS H H 155 7.988 7.988 7.650 0.338 17780 10586 1 17 . 1 1 67 67 ARG N N 156 118.993 118.993 116.484 2.509 17780 10587 1 17 . 1 1 67 67 ARG HA H 156 4.133 4.133 4.270 -0.137 17780 10588 1 17 . 1 1 67 67 ARG CA C 156 56.135 56.135 57.130 -0.996 17780 10589 1 17 . 1 1 67 67 ARG CB C 156 30.521 30.521 30.754 -0.233 17780 10590 1 17 . 1 1 67 67 ARG H H 156 7.488 7.488 7.328 0.160 17780 10591 1 17 . 1 1 68 68 TYR N N 157 121.321 121.321 118.224 3.097 17780 10592 1 17 . 1 1 68 68 TYR HA H 157 4.991 4.991 4.795 0.196 17780 10593 1 17 . 1 1 68 68 TYR CA C 157 52.644 52.644 53.877 -1.234 17780 10594 1 17 . 1 1 68 68 TYR CB C 157 34.873 34.873 37.722 -2.849 17780 10595 1 17 . 1 1 68 68 TYR H H 157 7.433 7.433 7.269 0.164 17780 10596 1 17 . 1 1 69 69 PRO HA H 158 4.338 4.338 4.434 -0.096 17780 10597 1 17 . 1 1 69 69 PRO CA C 158 63.651 63.651 62.678 0.973 17780 10598 1 17 . 1 1 69 69 PRO CB C 158 32.005 32.005 33.023 -1.018 17780 10599 1 17 . 1 1 70 70 ASN N N 159 116.696 116.696 116.656 0.040 17780 10600 1 17 . 1 1 70 70 ASN HA H 159 4.690 4.690 4.615 0.075 17780 10601 1 17 . 1 1 70 70 ASN CA C 159 51.997 51.997 53.320 -1.323 17780 10602 1 17 . 1 1 70 70 ASN CB C 159 38.375 38.375 39.177 -0.802 17780 10603 1 17 . 1 1 70 70 ASN H H 159 8.673 8.673 8.578 0.095 17780 10604 1 17 . 1 1 71 71 GLN N N 160 114.313 114.313 117.613 -3.300 17780 10605 1 17 . 1 1 71 71 GLN HA H 160 4.523 4.523 4.631 -0.108 17780 10606 1 17 . 1 1 71 71 GLN CA C 160 54.286 54.286 54.782 -0.496 17780 10607 1 17 . 1 1 71 71 GLN CB C 160 32.975 32.975 32.520 0.455 17780 10608 1 17 . 1 1 71 71 GLN H H 160 7.319 7.319 7.713 -0.394 17780 10609 1 17 . 1 1 72 72 VAL N N 161 112.569 112.569 115.024 -2.455 17780 10610 1 17 . 1 1 72 72 VAL HA H 161 4.927 4.927 4.529 0.399 17780 10611 1 17 . 1 1 72 72 VAL CA C 161 58.651 58.651 60.013 -1.362 17780 10612 1 17 . 1 1 72 72 VAL CB C 161 33.812 33.812 35.051 -1.239 17780 10613 1 17 . 1 1 72 72 VAL H H 161 8.477 8.477 8.076 0.401 17780 10614 1 17 . 1 1 73 73 TYR N N 162 121.525 121.525 123.950 -2.425 17780 10615 1 17 . 1 1 73 73 TYR HA H 162 5.507 5.507 5.307 0.200 17780 10616 1 17 . 1 1 73 73 TYR CA C 162 57.133 57.133 55.816 1.317 17780 10617 1 17 . 1 1 73 73 TYR CB C 162 41.970 41.970 42.078 -0.108 17780 10618 1 17 . 1 1 73 73 TYR H H 162 8.490 8.490 8.542 -0.052 17780 10619 1 17 . 1 1 74 74 TYR N N 163 111.081 111.081 119.592 -8.511 17780 10620 1 17 . 1 1 74 74 TYR HA H 163 4.758 4.758 5.108 -0.350 17780 10621 1 17 . 1 1 74 74 TYR CA C 163 55.367 55.367 56.770 -1.403 17780 10622 1 17 . 1 1 74 74 TYR CB C 163 40.401 40.401 40.143 0.258 17780 10623 1 17 . 1 1 74 74 TYR H H 163 8.593 8.593 8.633 -0.040 17780 10624 1 17 . 1 1 76 76 PRO HA H 165 4.490 4.490 4.632 -0.142 17780 10625 1 17 . 1 1 76 76 PRO CA C 165 62.967 62.967 63.038 -0.071 17780 10626 1 17 . 1 1 76 76 PRO CB C 165 32.372 32.372 32.725 -0.353 17780 10627 1 17 . 1 1 77 77 MET N N 166 121.408 121.408 120.632 0.776 17780 10628 1 17 . 1 1 77 77 MET HA H 166 4.438 4.438 4.117 0.321 17780 10629 1 17 . 1 1 77 77 MET CA C 166 57.081 57.081 54.779 2.302 17780 10630 1 17 . 1 1 77 77 MET CB C 166 32.165 32.165 31.266 0.899 17780 10631 1 17 . 1 1 77 77 MET H H 166 9.013 9.013 8.138 0.875 17780 10632 1 17 . 1 1 78 78 ASP N N 167 119.933 119.933 122.055 -2.122 17780 10633 1 17 . 1 1 78 78 ASP HA H 167 4.754 4.754 4.895 -0.141 17780 10634 1 17 . 1 1 78 78 ASP CA C 167 52.485 52.485 53.808 -1.323 17780 10635 1 17 . 1 1 78 78 ASP CB C 167 38.802 38.802 41.157 -2.355 17780 10636 1 17 . 1 1 78 78 ASP H H 167 8.176 8.176 8.217 -0.041 17780 10637 1 17 . 1 1 79 79 GLU N N 168 116.934 116.934 117.497 -0.563 17780 10638 1 17 . 1 1 79 79 GLU HA H 168 4.308 4.308 4.157 0.151 17780 10639 1 17 . 1 1 79 79 GLU CA C 168 58.638 58.638 57.315 1.323 17780 10640 1 17 . 1 1 79 79 GLU CB C 168 29.185 29.185 30.732 -1.547 17780 10641 1 17 . 1 1 79 79 GLU H H 168 8.332 8.332 8.447 -0.115 17780 10642 1 17 . 1 1 81 81 SER N N 170 116.603 116.603 116.538 0.065 17780 10643 1 17 . 1 1 81 81 SER HA H 170 4.374 4.374 4.389 -0.015 17780 10644 1 17 . 1 1 81 81 SER CA C 170 58.475 58.475 56.902 1.573 17780 10645 1 17 . 1 1 81 81 SER CB C 170 63.677 63.677 61.900 1.777 17780 10646 1 17 . 1 1 81 81 SER H H 170 8.560 8.560 8.629 -0.069 17780 10647 1 17 . 1 1 83 83 GLN N N 172 120.404 120.404 119.238 1.166 17780 10648 1 17 . 1 1 83 83 GLN HA H 172 4.750 4.750 4.536 0.214 17780 10649 1 17 . 1 1 83 83 GLN CA C 172 59.899 59.899 55.156 4.743 17780 10650 1 17 . 1 1 83 83 GLN CB C 172 29.023 29.023 30.754 -1.731 17780 10651 1 17 . 1 1 83 83 GLN H H 172 8.635 8.635 7.799 0.836 17780 10652 1 17 . 1 1 84 84 ASN N N 173 116.470 116.470 119.215 -2.745 17780 10653 1 17 . 1 1 84 84 ASN HA H 173 4.237 4.237 4.186 0.051 17780 10654 1 17 . 1 1 84 84 ASN CA C 173 56.470 56.470 55.715 0.755 17780 10655 1 17 . 1 1 84 84 ASN CB C 173 37.812 37.812 38.317 -0.505 17780 10656 1 17 . 1 1 84 84 ASN H H 173 8.352 8.352 9.057 -0.705 17780 10657 1 17 . 1 1 85 85 ASN N N 174 118.500 118.500 117.918 0.582 17780 10658 1 17 . 1 1 85 85 ASN HA H 174 4.534 4.534 4.461 0.073 17780 10659 1 17 . 1 1 85 85 ASN CA C 174 55.905 55.905 55.941 -0.036 17780 10660 1 17 . 1 1 85 85 ASN CB C 174 37.760 37.760 37.958 -0.198 17780 10661 1 17 . 1 1 85 85 ASN H H 174 8.602 8.602 8.553 0.049 17780 10662 1 17 . 1 1 86 86 PHE CB C 175 39.641 39.641 38.263 1.379 17780 10663 1 17 . 1 1 87 87 VAL N N 176 120.134 120.134 120.503 -0.369 17780 10664 1 17 . 1 1 87 87 VAL HA H 176 3.564 3.564 2.647 0.917 17780 10665 1 17 . 1 1 87 87 VAL CA C 176 67.737 67.737 65.567 2.170 17780 10666 1 17 . 1 1 87 87 VAL CB C 176 31.951 31.951 30.193 1.758 17780 10667 1 17 . 1 1 87 87 VAL H H 176 9.002 9.002 7.296 1.706 17780 10668 1 17 . 1 1 88 88 HIS N N 177 117.217 117.217 118.256 -1.039 17780 10669 1 17 . 1 1 88 88 HIS HA H 177 4.304 4.304 4.201 0.103 17780 10670 1 17 . 1 1 88 88 HIS CA C 177 59.781 59.781 60.093 -0.312 17780 10671 1 17 . 1 1 88 88 HIS CB C 177 28.264 28.264 29.775 -1.511 17780 10672 1 17 . 1 1 88 88 HIS H H 177 8.330 8.330 7.733 0.597 17780 10673 1 17 . 1 1 89 89 ASP N N 178 118.497 118.497 119.351 -0.854 17780 10674 1 17 . 1 1 89 89 ASP HA H 178 4.500 4.500 4.650 -0.150 17780 10675 1 17 . 1 1 89 89 ASP CA C 178 57.423 57.423 56.252 1.171 17780 10676 1 17 . 1 1 89 89 ASP CB C 178 41.792 41.792 41.625 0.167 17780 10677 1 17 . 1 1 89 89 ASP H H 178 7.696 7.696 7.798 -0.102 17780 10678 1 17 . 1 1 90 90 CYS N N 179 119.012 119.012 120.649 -1.637 17780 10679 1 17 . 1 1 90 90 CYS HA H 179 4.753 4.753 4.297 0.456 17780 10680 1 17 . 1 1 90 90 CYS CA C 179 58.466 58.466 62.326 -3.860 17780 10681 1 17 . 1 1 90 90 CYS CB C 179 40.758 40.758 25.633 15.125 17780 10682 1 17 . 1 1 90 90 CYS H H 179 8.037 8.037 7.584 0.453 17780 10683 1 17 . 1 1 91 91 VAL N N 180 125.063 125.063 120.650 4.413 17780 10684 1 17 . 1 1 91 91 VAL HA H 180 3.667 3.667 3.567 0.100 17780 10685 1 17 . 1 1 91 91 VAL CA C 180 66.293 66.293 67.114 -0.821 17780 10686 1 17 . 1 1 91 91 VAL CB C 180 32.028 32.028 31.852 0.176 17780 10687 1 17 . 1 1 91 91 VAL H H 180 9.212 9.212 8.641 0.571 17780 10688 1 17 . 1 1 92 92 ASN N N 181 116.153 116.153 118.762 -2.609 17780 10689 1 17 . 1 1 92 92 ASN HA H 181 4.311 4.311 4.469 -0.158 17780 10690 1 17 . 1 1 92 92 ASN CA C 181 56.622 56.622 56.227 0.396 17780 10691 1 17 . 1 1 92 92 ASN CB C 181 38.749 38.749 38.191 0.558 17780 10692 1 17 . 1 1 92 92 ASN H H 181 7.626 7.626 7.423 0.203 17780 10693 1 17 . 1 1 93 93 ILE N N 182 118.637 118.637 119.932 -1.295 17780 10694 1 17 . 1 1 93 93 ILE HA H 182 3.787 3.787 3.764 0.023 17780 10695 1 17 . 1 1 93 93 ILE CA C 182 62.078 62.078 63.955 -1.877 17780 10696 1 17 . 1 1 93 93 ILE CB C 182 36.535 36.535 36.477 0.058 17780 10697 1 17 . 1 1 93 93 ILE H H 182 8.610 8.610 8.698 -0.088 17780 10698 1 17 . 1 1 94 94 THR N N 183 118.229 118.229 117.806 0.423 17780 10699 1 17 . 1 1 94 94 THR HA H 183 4.097 4.097 4.040 0.057 17780 10700 1 17 . 1 1 94 94 THR CA C 183 68.834 68.834 67.313 1.521 17780 10701 1 17 . 1 1 94 94 THR CB C 183 68.258 68.258 68.761 -0.503 17780 10702 1 17 . 1 1 94 94 THR H H 183 8.140 8.140 8.178 -0.038 17780 10703 1 17 . 1 1 95 95 ILE N N 184 120.906 120.906 121.668 -0.762 17780 10704 1 17 . 1 1 95 95 ILE HA H 184 3.666 3.666 3.870 -0.204 17780 10705 1 17 . 1 1 95 95 ILE CA C 184 66.259 66.259 63.901 2.358 17780 10706 1 17 . 1 1 95 95 ILE CB C 184 36.824 36.824 37.898 -1.074 17780 10707 1 17 . 1 1 95 95 ILE H H 184 8.450 8.450 7.809 0.641 17780 10708 1 17 . 1 1 96 96 LYS N N 185 123.208 123.208 121.257 1.951 17780 10709 1 17 . 1 1 96 96 LYS HA H 185 4.067 4.067 3.837 0.230 17780 10710 1 17 . 1 1 96 96 LYS CA C 185 59.987 59.987 60.239 -0.252 17780 10711 1 17 . 1 1 96 96 LYS CB C 185 32.119 32.119 32.179 -0.061 17780 10712 1 17 . 1 1 96 96 LYS H H 185 8.067 8.067 8.395 -0.328 17780 10713 1 17 . 1 1 97 97 GLN N N 186 116.879 116.879 117.861 -0.982 17780 10714 1 17 . 1 1 97 97 GLN HA H 186 4.059 4.059 4.004 0.055 17780 10715 1 17 . 1 1 97 97 GLN CA C 186 58.010 58.010 58.793 -0.783 17780 10716 1 17 . 1 1 97 97 GLN CB C 186 27.982 27.982 28.274 -0.292 17780 10717 1 17 . 1 1 97 97 GLN H H 186 8.493 8.493 8.324 0.169 17780 10718 1 17 . 1 1 98 98 HIS N N 187 119.676 119.676 120.871 -1.195 17780 10719 1 17 . 1 1 98 98 HIS HA H 187 4.579 4.579 4.423 0.156 17780 10720 1 17 . 1 1 98 98 HIS CA C 187 59.465 59.465 59.292 0.173 17780 10721 1 17 . 1 1 98 98 HIS CB C 187 31.628 31.628 29.795 1.833 17780 10722 1 17 . 1 1 98 98 HIS H H 187 8.435 8.435 7.701 0.734 17780 10723 1 17 . 1 1 99 99 THR N N 188 114.500 114.500 116.200 -1.700 17780 10724 1 17 . 1 1 99 99 THR HA H 188 4.090 4.090 3.787 0.303 17780 10725 1 17 . 1 1 99 99 THR CA C 188 66.210 66.210 65.258 0.952 17780 10726 1 17 . 1 1 99 99 THR CB C 188 68.800 68.800 68.429 0.371 17780 10727 1 17 . 1 1 99 99 THR H H 188 8.440 8.440 8.460 -0.020 17780 10728 1 17 . 1 1 100 100 VAL N N 189 122.934 122.934 120.054 2.880 17780 10729 1 17 . 1 1 100 100 VAL HA H 189 3.838 3.838 3.834 0.004 17780 10730 1 17 . 1 1 100 100 VAL CA C 189 65.832 65.832 65.694 0.138 17780 10731 1 17 . 1 1 100 100 VAL CB C 189 31.897 31.897 31.574 0.323 17780 10732 1 17 . 1 1 100 100 VAL H H 189 8.057 8.057 8.067 -0.010 17780 10733 1 17 . 1 1 101 101 THR N N 190 115.101 115.101 112.180 2.921 17780 10734 1 17 . 1 1 101 101 THR HA H 190 4.140 4.140 4.158 -0.018 17780 10735 1 17 . 1 1 101 101 THR CA C 190 64.907 64.907 66.048 -1.141 17780 10736 1 17 . 1 1 101 101 THR CB C 190 69.041 69.041 68.277 0.764 17780 10737 1 17 . 1 1 101 101 THR H H 190 8.131 8.131 7.564 0.567 17780 10738 1 17 . 1 1 102 102 THR N N 191 114.546 114.546 119.514 -4.968 17780 10739 1 17 . 1 1 102 102 THR HA H 191 4.092 4.092 3.850 0.242 17780 10740 1 17 . 1 1 102 102 THR CA C 191 64.801 64.801 67.445 -2.644 17780 10741 1 17 . 1 1 102 102 THR CB C 191 69.145 69.145 68.129 1.016 17780 10742 1 17 . 1 1 102 102 THR H H 191 8.011 8.011 7.678 0.333 17780 10743 1 17 . 1 1 103 103 THR N N 192 117.876 117.876 112.508 5.368 17780 10744 1 17 . 1 1 103 103 THR HA H 192 4.373 4.373 4.663 -0.290 17780 10745 1 17 . 1 1 103 103 THR CA C 192 64.935 64.935 64.780 0.155 17780 10746 1 17 . 1 1 103 103 THR CB C 192 69.043 69.043 68.627 0.416 17780 10747 1 17 . 1 1 103 103 THR H H 192 8.224 8.224 7.515 0.709 17780 10748 1 17 . 1 1 104 104 THR N N 193 116.232 116.232 117.666 -1.434 17780 10749 1 17 . 1 1 104 104 THR HA H 193 4.204 4.204 4.107 0.097 17780 10750 1 17 . 1 1 104 104 THR CA C 193 64.311 64.311 65.306 -0.995 17780 10751 1 17 . 1 1 104 104 THR CB C 193 68.981 68.981 68.752 0.229 17780 10752 1 17 . 1 1 104 104 THR H H 193 7.805 7.805 7.613 0.192 17780 10753 1 17 . 1 1 105 105 LYS N N 194 119.843 119.843 118.745 1.098 17780 10754 1 17 . 1 1 105 105 LYS HA H 194 4.384 4.384 4.420 -0.036 17780 10755 1 17 . 1 1 105 105 LYS CA C 194 56.220 56.220 55.084 1.136 17780 10756 1 17 . 1 1 105 105 LYS CB C 194 32.527 32.527 32.219 0.308 17780 10757 1 17 . 1 1 105 105 LYS H H 194 7.504 7.504 7.575 -0.071 17780 10758 1 17 . 1 1 106 106 GLY N N 195 107.946 107.946 107.885 0.061 17780 10759 1 17 . 1 1 106 106 GLY CA C 195 45.431 45.431 45.307 0.124 17780 10760 1 17 . 1 1 106 106 GLY H H 195 7.924 7.924 7.719 0.205 17780 10761 1 17 . 1 1 107 107 GLU N N 196 120.063 120.063 120.348 -0.285 17780 10762 1 17 . 1 1 107 107 GLU HA H 196 4.255 4.255 4.636 -0.381 17780 10763 1 17 . 1 1 107 107 GLU CA C 196 55.597 55.597 54.951 0.646 17780 10764 1 17 . 1 1 107 107 GLU CB C 196 31.073 31.073 32.272 -1.199 17780 10765 1 17 . 1 1 107 107 GLU H H 196 7.465 7.465 8.143 -0.678 17780 10766 1 17 . 1 1 108 108 ASN N N 197 119.350 119.350 119.118 0.232 17780 10767 1 17 . 1 1 108 108 ASN HA H 197 4.657 4.657 5.072 -0.415 17780 10768 1 17 . 1 1 108 108 ASN CA C 197 52.673 52.673 53.073 -0.400 17780 10769 1 17 . 1 1 108 108 ASN CB C 197 40.827 40.827 40.400 0.427 17780 10770 1 17 . 1 1 108 108 ASN H H 197 8.458 8.458 8.482 -0.024 17780 10771 1 17 . 1 1 109 109 PHE N N 198 121.688 121.688 120.946 0.742 17780 10772 1 17 . 1 1 109 109 PHE HA H 198 5.317 5.317 4.976 0.341 17780 10773 1 17 . 1 1 109 109 PHE CA C 198 56.571 56.571 56.168 0.403 17780 10774 1 17 . 1 1 109 109 PHE CB C 198 40.093 40.093 42.525 -2.432 17780 10775 1 17 . 1 1 109 109 PHE H H 198 8.709 8.709 8.795 -0.086 17780 10776 1 17 . 1 1 110 110 THR N N 199 115.904 115.904 115.965 -0.061 17780 10777 1 17 . 1 1 110 110 THR HA H 199 4.624 4.624 4.592 0.032 17780 10778 1 17 . 1 1 110 110 THR CA C 199 60.343 60.343 61.292 -0.949 17780 10779 1 17 . 1 1 110 110 THR CB C 199 72.033 72.033 70.293 1.740 17780 10780 1 17 . 1 1 110 110 THR H H 199 9.547 9.547 9.086 0.461 17780 10781 1 17 . 1 1 111 111 GLU N N 200 119.988 119.988 120.519 -0.531 17780 10782 1 17 . 1 1 111 111 GLU HA H 200 4.067 4.067 4.059 0.008 17780 10783 1 17 . 1 1 111 111 GLU CA C 200 60.027 60.027 59.808 0.219 17780 10784 1 17 . 1 1 111 111 GLU CB C 200 28.976 28.976 28.700 0.276 17780 10785 1 17 . 1 1 111 111 GLU H H 200 9.132 9.132 9.034 0.098 17780 10786 1 17 . 1 1 112 112 THR N N 201 116.221 116.221 116.086 0.135 17780 10787 1 17 . 1 1 112 112 THR HA H 201 3.796 3.796 4.124 -0.328 17780 10788 1 17 . 1 1 112 112 THR CA C 201 66.781 66.781 66.332 0.449 17780 10789 1 17 . 1 1 112 112 THR CB C 201 68.581 68.581 68.105 0.476 17780 10790 1 17 . 1 1 112 112 THR H H 201 7.934 7.934 8.233 -0.299 17780 10791 1 17 . 1 1 113 113 ASP N N 202 120.001 120.001 122.896 -2.895 17780 10792 1 17 . 1 1 113 113 ASP HA H 202 4.598 4.598 4.580 0.018 17780 10793 1 17 . 1 1 113 113 ASP CA C 202 57.984 57.984 58.240 -0.256 17780 10794 1 17 . 1 1 113 113 ASP CB C 202 41.756 41.756 40.961 0.795 17780 10795 1 17 . 1 1 113 113 ASP H H 202 7.503 7.503 8.121 -0.618 17780 10796 1 17 . 1 1 114 114 VAL N N 203 119.529 119.529 119.719 -0.190 17780 10797 1 17 . 1 1 114 114 VAL HA H 203 3.279 3.279 3.669 -0.390 17780 10798 1 17 . 1 1 114 114 VAL CA C 203 67.817 67.817 66.588 1.228 17780 10799 1 17 . 1 1 114 114 VAL CB C 203 31.528 31.528 31.661 -0.133 17780 10800 1 17 . 1 1 114 114 VAL H H 203 8.209 8.209 7.743 0.466 17780 10801 1 17 . 1 1 115 115 LYS N N 204 119.051 119.051 120.274 -1.223 17780 10802 1 17 . 1 1 115 115 LYS HA H 204 4.082 4.082 4.201 -0.119 17780 10803 1 17 . 1 1 115 115 LYS CA C 204 59.268 59.268 59.399 -0.131 17780 10804 1 17 . 1 1 115 115 LYS CB C 204 31.979 31.979 32.770 -0.791 17780 10805 1 17 . 1 1 115 115 LYS H H 204 7.714 7.714 8.220 -0.506 17780 10806 1 17 . 1 1 116 116 MET N N 205 118.581 118.581 116.519 2.062 17780 10807 1 17 . 1 1 116 116 MET HA H 205 4.167 4.167 4.418 -0.251 17780 10808 1 17 . 1 1 116 116 MET CA C 205 59.984 59.984 58.809 1.175 17780 10809 1 17 . 1 1 116 116 MET CB C 205 32.933 32.933 32.844 0.089 17780 10810 1 17 . 1 1 116 116 MET H H 205 8.182 8.182 8.280 -0.098 17780 10811 1 17 . 1 1 117 117 MET N N 206 118.259 118.259 118.165 0.094 17780 10812 1 17 . 1 1 117 117 MET HA H 206 3.561 3.561 4.067 -0.506 17780 10813 1 17 . 1 1 117 117 MET CA C 206 59.967 59.967 58.465 1.502 17780 10814 1 17 . 1 1 117 117 MET CB C 206 33.824 33.824 31.637 2.187 17780 10815 1 17 . 1 1 117 117 MET H H 206 8.691 8.691 7.920 0.770 17780 10816 1 17 . 1 1 118 118 GLU N N 207 118.878 118.878 120.443 -1.565 17780 10817 1 17 . 1 1 118 118 GLU HA H 207 3.658 3.658 3.886 -0.228 17780 10818 1 17 . 1 1 118 118 GLU CA C 207 60.702 60.702 59.624 1.077 17780 10819 1 17 . 1 1 118 118 GLU CB C 207 29.000 29.000 29.293 -0.293 17780 10820 1 17 . 1 1 118 118 GLU H H 207 8.544 8.544 8.062 0.482 17780 10821 1 17 . 1 1 119 119 ARG N N 208 116.694 116.694 117.632 -0.938 17780 10822 1 17 . 1 1 119 119 ARG HA H 208 4.228 4.228 4.035 0.193 17780 10823 1 17 . 1 1 119 119 ARG CA C 208 58.554 58.554 59.029 -0.475 17780 10824 1 17 . 1 1 119 119 ARG CB C 208 30.136 30.136 29.804 0.332 17780 10825 1 17 . 1 1 119 119 ARG H H 208 7.289 7.289 7.754 -0.465 17780 10826 1 17 . 1 1 120 120 VAL N N 209 119.035 119.035 116.570 2.465 17780 10827 1 17 . 1 1 120 120 VAL HA H 209 3.837 3.837 4.037 -0.200 17780 10828 1 17 . 1 1 120 120 VAL CA C 209 65.766 65.766 65.473 0.293 17780 10829 1 17 . 1 1 120 120 VAL CB C 209 32.213 32.213 31.541 0.672 17780 10830 1 17 . 1 1 120 120 VAL H H 209 8.279 8.279 7.358 0.921 17780 10831 1 17 . 1 1 121 121 VAL N N 210 121.668 121.668 116.698 4.970 17780 10832 1 17 . 1 1 121 121 VAL HA H 210 3.597 3.597 3.817 -0.220 17780 10833 1 17 . 1 1 121 121 VAL CA C 210 66.639 66.639 65.629 1.010 17780 10834 1 17 . 1 1 121 121 VAL CB C 210 31.097 31.097 30.518 0.579 17780 10835 1 17 . 1 1 121 121 VAL H H 210 9.183 9.183 7.810 1.373 17780 10836 1 17 . 1 1 122 122 GLU N N 211 120.770 120.770 121.095 -0.325 17780 10837 1 17 . 1 1 122 122 GLU HA H 211 3.603 3.603 3.846 -0.243 17780 10838 1 17 . 1 1 122 122 GLU CA C 211 61.132 61.132 60.322 0.810 17780 10839 1 17 . 1 1 122 122 GLU CB C 211 29.153 29.153 29.104 0.049 17780 10840 1 17 . 1 1 122 122 GLU H H 211 8.041 8.041 7.728 0.313 17780 10841 1 17 . 1 1 123 123 GLN N N 212 114.580 114.580 117.176 -2.596 17780 10842 1 17 . 1 1 123 123 GLN HA H 212 3.662 3.662 4.133 -0.471 17780 10843 1 17 . 1 1 123 123 GLN CA C 212 58.509 58.509 57.620 0.889 17780 10844 1 17 . 1 1 123 123 GLN CB C 212 27.824 27.824 28.174 -0.350 17780 10845 1 17 . 1 1 123 123 GLN H H 212 7.096 7.096 7.635 -0.539 17780 10846 1 17 . 1 1 124 124 MET N N 213 119.748 119.748 121.551 -1.803 17780 10847 1 17 . 1 1 124 124 MET HA H 213 4.167 4.167 4.239 -0.072 17780 10848 1 17 . 1 1 124 124 MET CA C 213 59.928 59.928 59.097 0.831 17780 10849 1 17 . 1 1 124 124 MET CB C 213 34.529 34.529 32.703 1.826 17780 10850 1 17 . 1 1 124 124 MET H H 213 8.145 8.145 7.776 0.369 17780 10851 1 17 . 1 1 125 125 CYS N N 214 119.538 119.538 119.477 0.061 17780 10852 1 17 . 1 1 125 125 CYS HA H 214 4.427 4.427 4.227 0.200 17780 10853 1 17 . 1 1 125 125 CYS CA C 214 59.838 59.838 62.381 -2.543 17780 10854 1 17 . 1 1 125 125 CYS CB C 214 41.798 41.798 25.652 16.146 17780 10855 1 17 . 1 1 125 125 CYS H H 214 9.275 9.275 8.335 0.940 17780 10856 1 17 . 1 1 126 126 ILE N N 215 123.982 123.982 121.077 2.905 17780 10857 1 17 . 1 1 126 126 ILE HA H 215 3.579 3.579 3.796 -0.217 17780 10858 1 17 . 1 1 126 126 ILE CA C 215 66.649 66.649 65.597 1.052 17780 10859 1 17 . 1 1 126 126 ILE CB C 215 38.152 38.152 37.881 0.271 17780 10860 1 17 . 1 1 126 126 ILE H H 215 8.434 8.434 8.192 0.242 17780 10861 1 17 . 1 1 127 127 THR N N 216 118.728 118.728 116.231 2.497 17780 10862 1 17 . 1 1 127 127 THR HA H 216 3.835 3.835 3.978 -0.143 17780 10863 1 17 . 1 1 127 127 THR CA C 216 67.425 67.425 66.997 0.428 17780 10864 1 17 . 1 1 127 127 THR CB C 216 68.035 68.035 68.257 -0.222 17780 10865 1 17 . 1 1 127 127 THR H H 216 8.097 8.097 8.184 -0.087 17780 10866 1 17 . 1 1 128 128 GLN N N 217 122.368 122.368 120.565 1.803 17780 10867 1 17 . 1 1 128 128 GLN HA H 217 3.662 3.662 4.117 -0.455 17780 10868 1 17 . 1 1 128 128 GLN CA C 217 58.462 58.462 58.455 0.007 17780 10869 1 17 . 1 1 128 128 GLN CB C 217 28.075 28.075 28.471 -0.396 17780 10870 1 17 . 1 1 128 128 GLN H H 217 8.637 8.637 7.801 0.836 17780 10871 1 17 . 1 1 129 129 TYR N N 218 121.512 121.512 122.633 -1.121 17780 10872 1 17 . 1 1 129 129 TYR HA H 218 2.929 2.929 3.915 -0.986 17780 10873 1 17 . 1 1 129 129 TYR CA C 218 61.904 61.904 61.883 0.021 17780 10874 1 17 . 1 1 129 129 TYR CB C 218 37.075 37.075 38.367 -1.292 17780 10875 1 17 . 1 1 129 129 TYR H H 218 8.705 8.705 9.087 -0.382 17780 10876 1 17 . 1 1 130 130 LYS N N 219 120.801 120.801 117.856 2.945 17780 10877 1 17 . 1 1 130 130 LYS HA H 219 3.667 3.667 3.726 -0.059 17780 10878 1 17 . 1 1 130 130 LYS CA C 219 60.001 60.001 57.750 2.251 17780 10879 1 17 . 1 1 130 130 LYS CB C 219 31.732 31.732 31.623 0.109 17780 10880 1 17 . 1 1 130 130 LYS H H 219 8.232 8.232 8.393 -0.161 17780 10881 1 17 . 1 1 131 131 ARG HA H 220 3.978 3.978 3.913 0.065 17780 10882 1 17 . 1 1 131 131 ARG CA C 220 59.013 59.013 59.399 -0.386 17780 10883 1 17 . 1 1 131 131 ARG CB C 220 30.028 30.028 30.203 -0.175 17780 10884 1 17 . 1 1 132 132 GLU N N 221 119.690 119.690 118.233 1.457 17780 10885 1 17 . 1 1 132 132 GLU HA H 221 4.035 4.035 4.048 -0.013 17780 10886 1 17 . 1 1 132 132 GLU CA C 221 58.006 58.006 58.862 -0.856 17780 10887 1 17 . 1 1 132 132 GLU CB C 221 29.270 29.270 29.316 -0.046 17780 10888 1 17 . 1 1 132 132 GLU H H 221 8.521 8.521 8.449 0.072 17780 10889 1 17 . 1 1 133 133 SER N N 222 115.963 115.963 113.752 2.211 17780 10890 1 17 . 1 1 133 133 SER HA H 222 3.884 3.884 3.899 -0.015 17780 10891 1 17 . 1 1 133 133 SER CA C 222 61.500 61.500 61.112 0.388 17780 10892 1 17 . 1 1 133 133 SER CB C 222 62.207 62.207 61.851 0.356 17780 10893 1 17 . 1 1 133 133 SER H H 222 8.543 8.543 8.266 0.277 17780 10894 1 17 . 1 1 134 134 GLN N N 223 120.695 120.695 121.478 -0.783 17780 10895 1 17 . 1 1 134 134 GLN HA H 223 4.152 4.152 3.706 0.446 17780 10896 1 17 . 1 1 134 134 GLN CA C 223 58.646 58.646 58.305 0.341 17780 10897 1 17 . 1 1 134 134 GLN CB C 223 28.299 28.299 28.302 -0.003 17780 10898 1 17 . 1 1 134 134 GLN H H 223 7.486 7.486 7.246 0.240 17780 10899 1 17 . 1 1 135 135 ALA N N 224 120.905 120.905 120.791 0.114 17780 10900 1 17 . 1 1 135 135 ALA HA H 224 4.169 4.169 4.110 0.059 17780 10901 1 17 . 1 1 135 135 ALA CA C 224 54.404 54.404 54.356 0.048 17780 10902 1 17 . 1 1 135 135 ALA CB C 224 18.233 18.233 18.319 -0.086 17780 10903 1 17 . 1 1 135 135 ALA H H 224 7.497 7.497 7.380 0.117 17780 10904 1 17 . 1 1 136 136 TYR N N 225 119.969 119.969 120.634 -0.665 17780 10905 1 17 . 1 1 136 136 TYR HA H 225 4.080 4.080 4.133 -0.053 17780 10906 1 17 . 1 1 136 136 TYR CA C 225 61.060 61.060 61.123 -0.063 17780 10907 1 17 . 1 1 136 136 TYR CB C 225 39.008 39.008 38.612 0.396 17780 10908 1 17 . 1 1 136 136 TYR H H 225 8.215 8.215 7.501 0.714 17780 10909 1 17 . 1 1 137 137 TYR N N 226 117.988 117.988 117.486 0.502 17780 10910 1 17 . 1 1 137 137 TYR HA H 226 4.319 4.319 4.082 0.237 17780 10911 1 17 . 1 1 137 137 TYR CA C 226 59.543 59.543 58.580 0.964 17780 10912 1 17 . 1 1 137 137 TYR CB C 226 37.769 37.769 36.607 1.162 17780 10913 1 17 . 1 1 137 137 TYR H H 226 8.022 8.022 8.409 -0.387 17780 10914 1 17 . 1 1 138 138 GLN N N 227 118.911 118.911 118.524 0.387 17780 10915 1 17 . 1 1 138 138 GLN HA H 227 4.189 4.189 4.148 0.041 17780 10916 1 17 . 1 1 138 138 GLN CA C 227 57.002 57.002 57.311 -0.309 17780 10917 1 17 . 1 1 138 138 GLN CB C 227 28.740 28.740 27.659 1.081 17780 10918 1 17 . 1 1 138 138 GLN H H 227 7.838 7.838 7.561 0.277 17780 10919 1 17 . 1 1 139 139 ARG N N 228 119.910 119.910 119.010 0.900 17780 10920 1 17 . 1 1 139 139 ARG HA H 228 4.207 4.207 4.117 0.090 17780 10921 1 17 . 1 1 139 139 ARG CA C 228 57.338 57.338 57.225 0.113 17780 10922 1 17 . 1 1 139 139 ARG CB C 228 30.390 30.390 30.079 0.311 17780 10923 1 17 . 1 1 139 139 ARG H H 228 7.862 7.862 8.035 -0.173 17780 10924 1 17 . 1 1 140 140 GLY N N 229 108.627 108.627 105.519 3.108 17780 10925 1 17 . 1 1 140 140 GLY CA C 229 45.477 45.477 45.053 0.424 17780 10926 1 17 . 1 1 140 140 GLY H H 229 8.092 8.092 7.654 0.438 17780 10927 1 17 . 1 1 141 141 SER N N 230 115.141 115.141 116.587 -1.446 17780 10928 1 17 . 1 1 141 141 SER HA H 230 4.330 4.330 4.863 -0.533 17780 10929 1 17 . 1 1 141 141 SER CA C 230 58.650 58.650 57.196 1.454 17780 10930 1 17 . 1 1 141 141 SER CB C 230 63.641 63.641 65.823 -2.182 17780 10931 1 17 . 1 1 141 141 SER H H 230 8.050 8.050 7.501 0.549 17780 10932 1 18 . 1 1 2 2 GLN N N 91 119.729 119.729 118.452 1.277 17780 10933 1 18 . 1 1 2 2 GLN HA H 91 4.407 4.407 5.091 -0.684 17780 10934 1 18 . 1 1 2 2 GLN CA C 91 55.969 55.969 55.325 0.644 17780 10935 1 18 . 1 1 2 2 GLN CB C 91 29.576 29.576 31.831 -2.255 17780 10936 1 18 . 1 1 2 2 GLN H H 91 8.267 8.267 9.765 -1.498 17780 10937 1 18 . 1 1 3 3 GLY N N 92 110.081 110.081 107.899 2.182 17780 10938 1 18 . 1 1 3 3 GLY CA C 92 45.115 45.115 45.309 -0.194 17780 10939 1 18 . 1 1 3 3 GLY H H 92 8.515 8.515 9.206 -0.691 17780 10940 1 18 . 1 1 4 4 GLY N N 93 108.748 108.748 106.552 2.196 17780 10941 1 18 . 1 1 4 4 GLY CA C 93 45.228 45.228 45.933 -0.705 17780 10942 1 18 . 1 1 4 4 GLY H H 93 8.331 8.331 10.771 -2.441 17780 10943 1 18 . 1 1 5 5 GLY N N 94 108.857 108.857 107.305 1.552 17780 10944 1 18 . 1 1 5 5 GLY CA C 94 45.172 45.172 45.880 -0.708 17780 10945 1 18 . 1 1 5 5 GLY H H 94 8.362 8.362 9.509 -1.147 17780 10946 1 18 . 1 1 6 6 THR N N 95 113.538 113.538 112.786 0.752 17780 10947 1 18 . 1 1 6 6 THR HA H 95 4.282 4.282 5.069 -0.787 17780 10948 1 18 . 1 1 6 6 THR CA C 95 61.906 61.906 61.762 0.144 17780 10949 1 18 . 1 1 6 6 THR CB C 95 69.711 69.711 70.298 -0.587 17780 10950 1 18 . 1 1 6 6 THR H H 95 8.129 8.129 9.057 -0.928 17780 10951 1 18 . 1 1 7 7 HIS N N 96 121.027 121.027 118.921 2.106 17780 10952 1 18 . 1 1 7 7 HIS HA H 96 4.713 4.713 5.382 -0.669 17780 10953 1 18 . 1 1 7 7 HIS CA C 96 55.169 55.169 55.030 0.139 17780 10954 1 18 . 1 1 7 7 HIS CB C 96 29.575 29.575 31.367 -1.792 17780 10955 1 18 . 1 1 7 7 HIS H H 96 8.497 8.497 8.462 0.035 17780 10956 1 18 . 1 1 8 8 SER N N 97 117.031 117.031 116.072 0.959 17780 10957 1 18 . 1 1 8 8 SER HA H 97 4.405 4.405 4.594 -0.189 17780 10958 1 18 . 1 1 8 8 SER CA C 97 58.379 58.379 57.799 0.580 17780 10959 1 18 . 1 1 8 8 SER CB C 97 63.535 63.535 64.853 -1.318 17780 10960 1 18 . 1 1 8 8 SER H H 97 8.275 8.275 8.514 -0.239 17780 10961 1 18 . 1 1 9 9 GLN N N 98 122.084 122.084 120.747 1.337 17780 10962 1 18 . 1 1 9 9 GLN HA H 98 4.279 4.279 4.860 -0.581 17780 10963 1 18 . 1 1 9 9 GLN CA C 98 55.970 55.970 55.622 0.348 17780 10964 1 18 . 1 1 9 9 GLN CB C 98 29.157 29.157 32.037 -2.880 17780 10965 1 18 . 1 1 9 9 GLN H H 98 8.462 8.462 8.887 -0.425 17780 10966 1 18 . 1 1 10 10 TRP N N 99 121.630 121.630 124.935 -3.305 17780 10967 1 18 . 1 1 10 10 TRP HA H 99 4.676 4.676 5.189 -0.513 17780 10968 1 18 . 1 1 10 10 TRP CA C 99 57.046 57.046 57.326 -0.280 17780 10969 1 18 . 1 1 10 10 TRP CB C 99 29.440 29.440 31.286 -1.846 17780 10970 1 18 . 1 1 10 10 TRP H H 99 8.086 8.086 8.762 -0.676 17780 10971 1 18 . 1 1 11 11 ASN N N 100 120.591 120.591 121.242 -0.651 17780 10972 1 18 . 1 1 11 11 ASN HA H 100 4.602 4.602 4.284 0.318 17780 10973 1 18 . 1 1 11 11 ASN CA C 100 52.675 52.675 51.572 1.103 17780 10974 1 18 . 1 1 11 11 ASN CB C 100 38.781 38.781 40.714 -1.933 17780 10975 1 18 . 1 1 11 11 ASN H H 100 8.095 8.095 7.621 0.474 17780 10976 1 18 . 1 1 12 12 LYS N N 101 122.656 122.656 121.202 1.454 17780 10977 1 18 . 1 1 12 12 LYS HA H 101 4.435 4.435 4.038 0.397 17780 10978 1 18 . 1 1 12 12 LYS CA C 101 54.139 54.139 54.413 -0.274 17780 10979 1 18 . 1 1 12 12 LYS CB C 101 32.474 32.474 32.441 0.033 17780 10980 1 18 . 1 1 12 12 LYS H H 101 7.985 7.985 8.009 -0.024 17780 10981 1 18 . 1 1 13 13 PRO HA H 102 4.425 4.425 4.309 0.116 17780 10982 1 18 . 1 1 13 13 PRO CA C 102 63.065 63.065 63.511 -0.446 17780 10983 1 18 . 1 1 13 13 PRO CB C 102 32.056 32.056 32.369 -0.313 17780 10984 1 18 . 1 1 14 14 SER N N 103 116.881 116.881 112.082 4.799 17780 10985 1 18 . 1 1 14 14 SER HA H 103 4.430 4.430 4.567 -0.137 17780 10986 1 18 . 1 1 14 14 SER CA C 103 57.973 57.973 57.218 0.755 17780 10987 1 18 . 1 1 14 14 SER CB C 103 63.669 63.669 65.364 -1.694 17780 10988 1 18 . 1 1 14 14 SER H H 103 8.420 8.420 7.572 0.848 17780 10989 1 18 . 1 1 15 15 LYS N N 104 124.163 124.163 121.209 2.954 17780 10990 1 18 . 1 1 15 15 LYS HA H 104 4.620 4.620 4.675 -0.055 17780 10991 1 18 . 1 1 15 15 LYS CA C 104 54.160 54.160 54.414 -0.254 17780 10992 1 18 . 1 1 15 15 LYS CB C 104 32.606 32.606 32.670 -0.064 17780 10993 1 18 . 1 1 15 15 LYS H H 104 8.321 8.321 8.657 -0.336 17780 10994 1 18 . 1 1 16 16 PRO HA H 105 4.412 4.412 4.546 -0.134 17780 10995 1 18 . 1 1 16 16 PRO CA C 105 63.012 63.012 62.723 0.289 17780 10996 1 18 . 1 1 16 16 PRO CB C 105 32.152 32.152 32.715 -0.563 17780 10997 1 18 . 1 1 17 17 LYS N N 106 122.072 122.072 119.407 2.665 17780 10998 1 18 . 1 1 17 17 LYS HA H 106 4.338 4.338 4.609 -0.271 17780 10999 1 18 . 1 1 17 17 LYS CA C 106 56.299 56.299 55.658 0.641 17780 11000 1 18 . 1 1 17 17 LYS CB C 106 32.928 32.928 34.167 -1.239 17780 11001 1 18 . 1 1 17 17 LYS H H 106 8.516 8.516 8.304 0.212 17780 11002 1 18 . 1 1 18 18 THR N N 107 115.252 115.252 114.334 0.918 17780 11003 1 18 . 1 1 18 18 THR HA H 107 4.323 4.323 4.569 -0.246 17780 11004 1 18 . 1 1 18 18 THR CA C 107 61.523 61.523 61.584 -0.061 17780 11005 1 18 . 1 1 18 18 THR CB C 107 69.778 69.778 69.657 0.121 17780 11006 1 18 . 1 1 18 18 THR H H 107 8.133 8.133 8.355 -0.222 17780 11007 1 18 . 1 1 19 19 ASN N N 108 121.344 121.344 122.373 -1.029 17780 11008 1 18 . 1 1 19 19 ASN HA H 108 4.712 4.712 4.878 -0.166 17780 11009 1 18 . 1 1 19 19 ASN CA C 108 53.019 53.019 52.716 0.303 17780 11010 1 18 . 1 1 19 19 ASN CB C 108 38.728 38.728 41.023 -2.295 17780 11011 1 18 . 1 1 19 19 ASN H H 108 8.537 8.537 8.552 -0.015 17780 11012 1 18 . 1 1 20 20 MET N N 109 121.309 121.309 120.672 0.637 17780 11013 1 18 . 1 1 20 20 MET HA H 109 4.437 4.437 4.567 -0.130 17780 11014 1 18 . 1 1 20 20 MET CA C 109 55.446 55.446 54.613 0.833 17780 11015 1 18 . 1 1 20 20 MET CB C 109 32.809 32.809 34.107 -1.298 17780 11016 1 18 . 1 1 20 20 MET H H 109 8.346 8.346 8.300 0.046 17780 11017 1 18 . 1 1 21 21 LYS N N 110 122.292 122.292 121.991 0.301 17780 11018 1 18 . 1 1 21 21 LYS HA H 110 4.237 4.237 4.197 0.040 17780 11019 1 18 . 1 1 21 21 LYS CA C 110 56.394 56.394 56.579 -0.185 17780 11020 1 18 . 1 1 21 21 LYS CB C 110 32.923 32.923 32.814 0.109 17780 11021 1 18 . 1 1 21 21 LYS H H 110 8.300 8.300 8.301 -0.001 17780 11022 1 18 . 1 1 22 22 HIS N N 111 120.193 120.193 121.496 -1.303 17780 11023 1 18 . 1 1 22 22 HIS HA H 111 4.642 4.642 4.932 -0.290 17780 11024 1 18 . 1 1 22 22 HIS CA C 111 55.391 55.391 54.864 0.527 17780 11025 1 18 . 1 1 22 22 HIS CB C 111 29.501 29.501 31.709 -2.208 17780 11026 1 18 . 1 1 22 22 HIS H H 111 8.406 8.406 8.362 0.044 17780 11027 1 18 . 1 1 23 23 MET N N 112 122.529 122.529 120.627 1.902 17780 11028 1 18 . 1 1 23 23 MET HA H 112 4.464 4.464 5.049 -0.585 17780 11029 1 18 . 1 1 23 23 MET CA C 112 55.125 55.125 55.326 -0.201 17780 11030 1 18 . 1 1 23 23 MET CB C 112 32.930 32.930 34.470 -1.540 17780 11031 1 18 . 1 1 23 23 MET H H 112 8.326 8.326 8.777 -0.451 17780 11032 1 18 . 1 1 24 24 ALA N N 113 125.642 125.642 123.381 2.261 17780 11033 1 18 . 1 1 24 24 ALA HA H 113 4.315 4.315 5.245 -0.930 17780 11034 1 18 . 1 1 24 24 ALA CA C 113 52.521 52.521 51.793 0.728 17780 11035 1 18 . 1 1 24 24 ALA CB C 113 19.181 19.181 21.265 -2.084 17780 11036 1 18 . 1 1 24 24 ALA H H 113 8.370 8.370 8.982 -0.612 17780 11037 1 18 . 1 1 25 25 GLY N N 114 108.473 108.473 107.542 0.931 17780 11038 1 18 . 1 1 25 25 GLY CA C 114 45.175 45.175 45.321 -0.146 17780 11039 1 18 . 1 1 25 25 GLY H H 114 8.373 8.373 10.386 -2.013 17780 11040 1 18 . 1 1 26 26 ALA N N 115 123.872 123.872 124.568 -0.696 17780 11041 1 18 . 1 1 26 26 ALA HA H 115 4.316 4.316 4.594 -0.278 17780 11042 1 18 . 1 1 26 26 ALA CA C 115 52.496 52.496 51.955 0.541 17780 11043 1 18 . 1 1 26 26 ALA CB C 115 19.181 19.181 19.795 -0.614 17780 11044 1 18 . 1 1 26 26 ALA H H 115 8.134 8.134 8.261 -0.127 17780 11045 1 18 . 1 1 27 27 ALA N N 116 123.172 123.172 122.451 0.721 17780 11046 1 18 . 1 1 27 27 ALA HA H 116 4.287 4.287 4.669 -0.382 17780 11047 1 18 . 1 1 27 27 ALA CA C 116 52.464 52.464 51.759 0.705 17780 11048 1 18 . 1 1 27 27 ALA CB C 116 19.180 19.180 19.522 -0.342 17780 11049 1 18 . 1 1 27 27 ALA H H 116 8.268 8.268 8.246 0.022 17780 11050 1 18 . 1 1 28 28 ALA N N 117 123.253 123.253 121.119 2.134 17780 11051 1 18 . 1 1 28 28 ALA HA H 117 4.277 4.277 4.521 -0.244 17780 11052 1 18 . 1 1 28 28 ALA CA C 117 52.383 52.383 52.102 0.281 17780 11053 1 18 . 1 1 28 28 ALA CB C 117 19.156 19.156 20.756 -1.600 17780 11054 1 18 . 1 1 28 28 ALA H H 117 8.169 8.169 8.258 -0.089 17780 11055 1 18 . 1 1 29 29 ALA N N 118 123.225 123.225 123.911 -0.686 17780 11056 1 18 . 1 1 29 29 ALA HA H 118 4.282 4.282 4.679 -0.397 17780 11057 1 18 . 1 1 29 29 ALA CA C 118 52.469 52.469 51.695 0.774 17780 11058 1 18 . 1 1 29 29 ALA CB C 118 19.129 19.129 18.617 0.512 17780 11059 1 18 . 1 1 29 29 ALA H H 118 8.204 8.204 9.014 -0.810 17780 11060 1 18 . 1 1 30 30 GLY N N 119 107.906 107.906 109.566 -1.660 17780 11061 1 18 . 1 1 30 30 GLY CA C 119 45.089 45.089 45.728 -0.639 17780 11062 1 18 . 1 1 30 30 GLY H H 119 8.271 8.271 8.302 -0.031 17780 11063 1 18 . 1 1 31 31 ALA N N 120 123.540 123.540 125.350 -1.810 17780 11064 1 18 . 1 1 31 31 ALA HA H 120 4.339 4.339 4.359 -0.020 17780 11065 1 18 . 1 1 31 31 ALA CA C 120 52.282 52.282 52.002 0.280 17780 11066 1 18 . 1 1 31 31 ALA CB C 120 19.432 19.432 19.608 -0.176 17780 11067 1 18 . 1 1 31 31 ALA H H 120 8.039 8.039 7.635 0.404 17780 11068 1 18 . 1 1 32 32 VAL N N 121 119.579 119.579 114.032 5.547 17780 11069 1 18 . 1 1 32 32 VAL HA H 121 4.117 4.117 3.746 0.371 17780 11070 1 18 . 1 1 32 32 VAL CA C 121 62.142 62.142 63.234 -1.092 17780 11071 1 18 . 1 1 32 32 VAL CB C 121 32.673 32.673 29.744 2.929 17780 11072 1 18 . 1 1 32 32 VAL H H 121 8.109 8.109 8.741 -0.632 17780 11073 1 18 . 1 1 33 33 VAL N N 122 124.655 124.655 121.900 2.755 17780 11074 1 18 . 1 1 33 33 VAL HA H 122 4.081 4.081 3.986 0.095 17780 11075 1 18 . 1 1 33 33 VAL CA C 122 62.430 62.430 63.681 -1.251 17780 11076 1 18 . 1 1 33 33 VAL CB C 122 32.675 32.675 32.387 0.288 17780 11077 1 18 . 1 1 33 33 VAL H H 122 8.262 8.262 7.325 0.937 17780 11078 1 18 . 1 1 34 34 GLY N N 123 113.165 113.165 112.921 0.244 17780 11079 1 18 . 1 1 34 34 GLY CA C 123 45.264 45.264 45.067 0.197 17780 11080 1 18 . 1 1 34 34 GLY H H 123 8.528 8.528 8.941 -0.413 17780 11081 1 18 . 1 1 35 35 GLY N N 124 108.440 108.440 107.419 1.021 17780 11082 1 18 . 1 1 35 35 GLY CA C 124 45.264 45.264 44.928 0.336 17780 11083 1 18 . 1 1 35 35 GLY H H 124 8.245 8.245 8.275 -0.030 17780 11084 1 18 . 1 1 36 36 LEU N N 125 121.679 121.679 121.776 -0.097 17780 11085 1 18 . 1 1 36 36 LEU HA H 125 4.340 4.340 4.131 0.209 17780 11086 1 18 . 1 1 36 36 LEU CA C 125 54.808 54.808 56.110 -1.302 17780 11087 1 18 . 1 1 36 36 LEU CB C 125 42.417 42.417 41.880 0.537 17780 11088 1 18 . 1 1 36 36 LEU H H 125 8.233 8.233 7.732 0.501 17780 11089 1 18 . 1 1 37 37 GLY N N 126 109.818 109.818 104.851 4.967 17780 11090 1 18 . 1 1 37 37 GLY CA C 126 46.266 46.266 46.158 0.108 17780 11091 1 18 . 1 1 37 37 GLY H H 126 8.511 8.511 8.495 0.016 17780 11092 1 18 . 1 1 38 38 GLY N N 127 109.485 109.485 106.316 3.169 17780 11093 1 18 . 1 1 38 38 GLY CA C 127 45.029 45.029 44.750 0.279 17780 11094 1 18 . 1 1 38 38 GLY H H 127 8.374 8.374 7.375 0.999 17780 11095 1 18 . 1 1 39 39 TYR N N 128 117.683 117.683 119.353 -1.670 17780 11096 1 18 . 1 1 39 39 TYR HA H 128 4.501 4.501 4.469 0.032 17780 11097 1 18 . 1 1 39 39 TYR CA C 128 58.050 58.050 57.680 0.370 17780 11098 1 18 . 1 1 39 39 TYR CB C 128 40.362 40.362 39.783 0.579 17780 11099 1 18 . 1 1 39 39 TYR H H 128 7.746 7.746 7.695 0.051 17780 11100 1 18 . 1 1 40 40 MET N N 129 120.902 120.902 116.445 4.457 17780 11101 1 18 . 1 1 40 40 MET HA H 129 4.534 4.534 4.508 0.026 17780 11102 1 18 . 1 1 40 40 MET CA C 129 53.516 53.516 53.391 0.125 17780 11103 1 18 . 1 1 40 40 MET CB C 129 34.851 34.851 36.977 -2.126 17780 11104 1 18 . 1 1 40 40 MET H H 129 9.005 9.005 8.591 0.414 17780 11105 1 18 . 1 1 41 41 LEU N N 130 121.514 121.514 115.699 5.815 17780 11106 1 18 . 1 1 41 41 LEU HA H 130 4.464 4.464 5.452 -0.988 17780 11107 1 18 . 1 1 41 41 LEU CA C 130 53.359 53.359 52.750 0.609 17780 11108 1 18 . 1 1 41 41 LEU CB C 130 43.482 43.482 46.012 -2.530 17780 11109 1 18 . 1 1 41 41 LEU H H 130 8.034 8.034 8.056 -0.022 17780 11110 1 18 . 1 1 42 42 GLY N N 131 114.895 114.895 108.178 6.717 17780 11111 1 18 . 1 1 42 42 GLY CA C 131 44.698 44.698 44.691 0.007 17780 11112 1 18 . 1 1 42 42 GLY H H 131 9.375 9.375 8.956 0.419 17780 11113 1 18 . 1 1 43 43 SER N N 132 113.692 113.692 117.405 -3.713 17780 11114 1 18 . 1 1 43 43 SER HA H 132 4.429 4.429 4.402 0.027 17780 11115 1 18 . 1 1 43 43 SER CA C 132 58.191 58.191 58.684 -0.493 17780 11116 1 18 . 1 1 43 43 SER CB C 132 63.938 63.938 63.219 0.719 17780 11117 1 18 . 1 1 43 43 SER H H 132 8.345 8.345 8.278 0.067 17780 11118 1 18 . 1 1 44 44 ALA N N 133 125.505 125.505 123.053 2.452 17780 11119 1 18 . 1 1 44 44 ALA HA H 133 4.437 4.437 4.526 -0.089 17780 11120 1 18 . 1 1 44 44 ALA CA C 133 52.936 52.936 51.857 1.079 17780 11121 1 18 . 1 1 44 44 ALA CB C 133 18.412 18.412 21.415 -3.002 17780 11122 1 18 . 1 1 44 44 ALA H H 133 8.735 8.735 8.126 0.609 17780 11123 1 18 . 1 1 45 45 MET N N 134 120.707 120.707 119.932 0.775 17780 11124 1 18 . 1 1 45 45 MET HA H 134 4.756 4.756 4.977 -0.221 17780 11125 1 18 . 1 1 45 45 MET CA C 134 54.242 54.242 54.325 -0.083 17780 11126 1 18 . 1 1 45 45 MET CB C 134 36.727 36.727 34.684 2.043 17780 11127 1 18 . 1 1 45 45 MET H H 134 8.686 8.686 8.482 0.204 17780 11128 1 18 . 1 1 46 46 SER N N 135 116.235 116.235 117.355 -1.120 17780 11129 1 18 . 1 1 46 46 SER HA H 135 4.375 4.375 4.410 -0.035 17780 11130 1 18 . 1 1 46 46 SER CA C 135 58.410 58.410 58.951 -0.541 17780 11131 1 18 . 1 1 46 46 SER CB C 135 63.016 63.016 63.634 -0.618 17780 11132 1 18 . 1 1 46 46 SER H H 135 8.397 8.397 8.543 -0.146 17780 11133 1 18 . 1 1 47 47 ARG N N 136 126.632 126.632 124.230 2.402 17780 11134 1 18 . 1 1 47 47 ARG HA H 136 4.406 4.406 4.664 -0.258 17780 11135 1 18 . 1 1 47 47 ARG CA C 136 54.783 54.783 54.075 0.708 17780 11136 1 18 . 1 1 47 47 ARG CB C 136 29.040 29.040 30.261 -1.221 17780 11137 1 18 . 1 1 47 47 ARG H H 136 8.668 8.668 8.662 0.006 17780 11138 1 18 . 1 1 48 48 PRO HA H 137 4.422 4.422 4.581 -0.159 17780 11139 1 18 . 1 1 48 48 PRO CA C 137 62.327 62.327 62.086 0.242 17780 11140 1 18 . 1 1 48 48 PRO CB C 137 32.269 32.269 32.462 -0.193 17780 11141 1 18 . 1 1 49 49 ILE N N 138 122.521 122.521 120.134 2.387 17780 11142 1 18 . 1 1 49 49 ILE HA H 138 4.148 4.148 4.106 0.042 17780 11143 1 18 . 1 1 49 49 ILE CA C 138 60.916 60.916 60.428 0.488 17780 11144 1 18 . 1 1 49 49 ILE CB C 138 36.234 36.234 39.503 -3.269 17780 11145 1 18 . 1 1 49 49 ILE H H 138 8.603 8.603 8.264 0.339 17780 11146 1 18 . 1 1 50 50 ILE N N 139 126.683 126.683 127.503 -0.820 17780 11147 1 18 . 1 1 50 50 ILE HA H 139 3.927 3.927 3.824 0.103 17780 11148 1 18 . 1 1 50 50 ILE CA C 139 58.700 58.700 58.196 0.504 17780 11149 1 18 . 1 1 50 50 ILE CB C 139 39.345 39.345 40.684 -1.339 17780 11150 1 18 . 1 1 50 50 ILE H H 139 6.514 6.514 7.684 -1.170 17780 11151 1 18 . 1 1 51 51 HIS N N 140 121.997 121.997 120.446 1.551 17780 11152 1 18 . 1 1 51 51 HIS HA H 140 4.918 4.918 4.761 0.157 17780 11153 1 18 . 1 1 51 51 HIS CA C 140 54.065 54.065 54.385 -0.320 17780 11154 1 18 . 1 1 51 51 HIS CB C 140 29.466 29.466 28.197 1.269 17780 11155 1 18 . 1 1 51 51 HIS H H 140 8.203 8.203 7.468 0.736 17780 11156 1 18 . 1 1 52 52 PHE N N 141 124.334 124.334 123.815 0.519 17780 11157 1 18 . 1 1 52 52 PHE HA H 141 4.348 4.348 4.595 -0.247 17780 11158 1 18 . 1 1 52 52 PHE CA C 141 59.251 59.251 59.012 0.239 17780 11159 1 18 . 1 1 52 52 PHE CB C 141 41.448 41.448 39.838 1.610 17780 11160 1 18 . 1 1 52 52 PHE H H 141 10.160 10.160 9.379 0.781 17780 11161 1 18 . 1 1 53 53 GLY N N 142 108.368 108.368 105.143 3.225 17780 11162 1 18 . 1 1 53 53 GLY CA C 142 45.516 45.516 45.974 -0.458 17780 11163 1 18 . 1 1 53 53 GLY H H 142 8.984 8.984 7.849 1.135 17780 11164 1 18 . 1 1 54 54 SER N N 143 111.819 111.819 113.942 -2.123 17780 11165 1 18 . 1 1 54 54 SER HA H 143 4.810 4.810 4.594 0.216 17780 11166 1 18 . 1 1 54 54 SER CA C 143 56.498 56.498 57.086 -0.588 17780 11167 1 18 . 1 1 54 54 SER CB C 143 65.964 65.964 64.430 1.534 17780 11168 1 18 . 1 1 54 54 SER H H 143 7.334 7.334 7.466 -0.132 17780 11169 1 18 . 1 1 55 55 ASP N N 144 124.249 124.249 123.105 1.144 17780 11170 1 18 . 1 1 55 55 ASP HA H 144 4.500 4.500 4.395 0.105 17780 11171 1 18 . 1 1 55 55 ASP CA C 144 57.493 57.493 57.601 -0.108 17780 11172 1 18 . 1 1 55 55 ASP CB C 144 40.664 40.664 40.945 -0.281 17780 11173 1 18 . 1 1 55 55 ASP H H 144 9.014 9.014 8.643 0.371 17780 11174 1 18 . 1 1 56 56 TYR N N 145 118.991 118.991 115.431 3.560 17780 11175 1 18 . 1 1 56 56 TYR HA H 145 4.196 4.196 4.465 -0.269 17780 11176 1 18 . 1 1 56 56 TYR CA C 145 61.351 61.351 59.603 1.748 17780 11177 1 18 . 1 1 56 56 TYR CB C 145 38.075 38.075 37.396 0.679 17780 11178 1 18 . 1 1 56 56 TYR H H 145 8.551 8.551 7.680 0.871 17780 11179 1 18 . 1 1 57 57 GLU N N 146 119.217 119.217 120.302 -1.085 17780 11180 1 18 . 1 1 57 57 GLU HA H 146 3.563 3.563 4.497 -0.934 17780 11181 1 18 . 1 1 57 57 GLU CA C 146 59.921 59.921 59.277 0.644 17780 11182 1 18 . 1 1 57 57 GLU CB C 146 30.297 30.297 29.694 0.603 17780 11183 1 18 . 1 1 57 57 GLU H H 146 7.741 7.741 7.564 0.177 17780 11184 1 18 . 1 1 58 58 ASP N N 147 119.565 119.565 120.127 -0.562 17780 11185 1 18 . 1 1 58 58 ASP HA H 147 4.498 4.498 4.784 -0.285 17780 11186 1 18 . 1 1 58 58 ASP CA C 147 58.185 58.185 57.077 1.108 17780 11187 1 18 . 1 1 58 58 ASP CB C 147 40.598 40.598 40.685 -0.087 17780 11188 1 18 . 1 1 58 58 ASP H H 147 8.139 8.139 8.577 -0.438 17780 11189 1 18 . 1 1 59 59 ARG N N 148 120.296 120.296 118.939 1.357 17780 11190 1 18 . 1 1 59 59 ARG HA H 148 4.004 4.004 4.245 -0.241 17780 11191 1 18 . 1 1 59 59 ARG CA C 148 59.393 59.393 58.749 0.644 17780 11192 1 18 . 1 1 59 59 ARG CB C 148 29.910 29.910 29.957 -0.047 17780 11193 1 18 . 1 1 59 59 ARG H H 148 8.181 8.181 8.153 0.028 17780 11194 1 18 . 1 1 60 60 TYR N N 149 121.152 121.152 123.114 -1.962 17780 11195 1 18 . 1 1 60 60 TYR HA H 149 3.819 3.819 4.222 -0.403 17780 11196 1 18 . 1 1 60 60 TYR CA C 149 62.195 62.195 59.960 2.235 17780 11197 1 18 . 1 1 60 60 TYR CB C 149 37.808 37.808 37.885 -0.076 17780 11198 1 18 . 1 1 60 60 TYR H H 149 8.333 8.333 7.692 0.641 17780 11199 1 18 . 1 1 61 61 TYR N N 150 120.365 120.365 120.782 -0.417 17780 11200 1 18 . 1 1 61 61 TYR HA H 150 4.122 4.122 3.441 0.681 17780 11201 1 18 . 1 1 61 61 TYR CA C 150 62.969 62.969 60.656 2.313 17780 11202 1 18 . 1 1 61 61 TYR CB C 150 38.207 38.207 37.834 0.373 17780 11203 1 18 . 1 1 61 61 TYR H H 150 8.942 8.942 8.179 0.763 17780 11204 1 18 . 1 1 62 62 ARG N N 151 117.982 117.982 116.445 1.537 17780 11205 1 18 . 1 1 62 62 ARG HA H 151 3.938 3.938 3.425 0.513 17780 11206 1 18 . 1 1 62 62 ARG CA C 151 59.940 59.940 58.020 1.920 17780 11207 1 18 . 1 1 62 62 ARG CB C 151 29.731 29.731 29.680 0.051 17780 11208 1 18 . 1 1 62 62 ARG H H 151 7.938 7.938 7.414 0.524 17780 11209 1 18 . 1 1 63 63 GLU N N 152 116.389 116.389 118.311 -1.922 17780 11210 1 18 . 1 1 63 63 GLU HA H 152 4.059 4.059 4.100 -0.041 17780 11211 1 18 . 1 1 63 63 GLU CA C 152 57.990 57.990 58.983 -0.993 17780 11212 1 18 . 1 1 63 63 GLU CB C 152 29.915 29.915 29.865 0.050 17780 11213 1 18 . 1 1 63 63 GLU H H 152 8.068 8.068 7.770 0.298 17780 11214 1 18 . 1 1 64 64 ASN N N 153 114.690 114.690 116.326 -1.636 17780 11215 1 18 . 1 1 64 64 ASN HA H 153 4.406 4.406 4.431 -0.025 17780 11216 1 18 . 1 1 64 64 ASN CA C 153 54.814 54.814 53.993 0.821 17780 11217 1 18 . 1 1 64 64 ASN CB C 153 41.178 41.178 38.106 3.072 17780 11218 1 18 . 1 1 64 64 ASN H H 153 7.525 7.525 7.426 0.099 17780 11219 1 18 . 1 1 65 65 MET N N 154 119.058 119.058 121.204 -2.146 17780 11220 1 18 . 1 1 65 65 MET HA H 154 3.417 3.417 3.411 0.006 17780 11221 1 18 . 1 1 65 65 MET CA C 154 59.193 59.193 58.407 0.786 17780 11222 1 18 . 1 1 65 65 MET CB C 154 30.258 30.258 31.601 -1.343 17780 11223 1 18 . 1 1 65 65 MET H H 154 7.993 7.993 7.252 0.741 17780 11224 1 18 . 1 1 66 66 HIS N N 155 116.083 116.083 115.102 0.981 17780 11225 1 18 . 1 1 66 66 HIS HA H 155 4.208 4.208 4.362 -0.154 17780 11226 1 18 . 1 1 66 66 HIS CA C 155 57.382 57.382 58.387 -1.005 17780 11227 1 18 . 1 1 66 66 HIS CB C 155 28.955 28.955 29.466 -0.511 17780 11228 1 18 . 1 1 66 66 HIS H H 155 7.988 7.988 7.228 0.760 17780 11229 1 18 . 1 1 67 67 ARG N N 156 118.993 118.993 116.746 2.247 17780 11230 1 18 . 1 1 67 67 ARG HA H 156 4.133 4.133 4.456 -0.323 17780 11231 1 18 . 1 1 67 67 ARG CA C 156 56.135 56.135 56.516 -0.381 17780 11232 1 18 . 1 1 67 67 ARG CB C 156 30.521 30.521 30.782 -0.261 17780 11233 1 18 . 1 1 67 67 ARG H H 156 7.488 7.488 7.593 -0.105 17780 11234 1 18 . 1 1 68 68 TYR N N 157 121.321 121.321 119.857 1.464 17780 11235 1 18 . 1 1 68 68 TYR HA H 157 4.991 4.991 4.735 0.256 17780 11236 1 18 . 1 1 68 68 TYR CA C 157 52.644 52.644 53.763 -1.119 17780 11237 1 18 . 1 1 68 68 TYR CB C 157 34.873 34.873 37.919 -3.046 17780 11238 1 18 . 1 1 68 68 TYR H H 157 7.433 7.433 7.431 0.002 17780 11239 1 18 . 1 1 69 69 PRO HA H 158 4.338 4.338 4.381 -0.043 17780 11240 1 18 . 1 1 69 69 PRO CA C 158 63.651 63.651 62.480 1.171 17780 11241 1 18 . 1 1 69 69 PRO CB C 158 32.005 32.005 32.833 -0.828 17780 11242 1 18 . 1 1 70 70 ASN N N 159 116.696 116.696 116.624 0.072 17780 11243 1 18 . 1 1 70 70 ASN HA H 159 4.690 4.690 4.653 0.037 17780 11244 1 18 . 1 1 70 70 ASN CA C 159 51.997 51.997 53.315 -1.318 17780 11245 1 18 . 1 1 70 70 ASN CB C 159 38.375 38.375 39.062 -0.687 17780 11246 1 18 . 1 1 70 70 ASN H H 159 8.673 8.673 8.525 0.148 17780 11247 1 18 . 1 1 71 71 GLN N N 160 114.313 114.313 117.103 -2.790 17780 11248 1 18 . 1 1 71 71 GLN HA H 160 4.523 4.523 4.674 -0.151 17780 11249 1 18 . 1 1 71 71 GLN CA C 160 54.286 54.286 54.565 -0.279 17780 11250 1 18 . 1 1 71 71 GLN CB C 160 32.975 32.975 32.519 0.456 17780 11251 1 18 . 1 1 71 71 GLN H H 160 7.319 7.319 7.521 -0.202 17780 11252 1 18 . 1 1 72 72 VAL N N 161 112.569 112.569 114.139 -1.570 17780 11253 1 18 . 1 1 72 72 VAL HA H 161 4.927 4.927 4.566 0.361 17780 11254 1 18 . 1 1 72 72 VAL CA C 161 58.651 58.651 60.187 -1.536 17780 11255 1 18 . 1 1 72 72 VAL CB C 161 33.812 33.812 34.590 -0.778 17780 11256 1 18 . 1 1 72 72 VAL H H 161 8.477 8.477 8.256 0.221 17780 11257 1 18 . 1 1 73 73 TYR N N 162 121.525 121.525 124.410 -2.885 17780 11258 1 18 . 1 1 73 73 TYR HA H 162 5.507 5.507 5.630 -0.123 17780 11259 1 18 . 1 1 73 73 TYR CA C 162 57.133 57.133 56.455 0.678 17780 11260 1 18 . 1 1 73 73 TYR CB C 162 41.970 41.970 41.229 0.741 17780 11261 1 18 . 1 1 73 73 TYR H H 162 8.490 8.490 8.710 -0.221 17780 11262 1 18 . 1 1 74 74 TYR N N 163 111.081 111.081 119.724 -8.643 17780 11263 1 18 . 1 1 74 74 TYR HA H 163 4.758 4.758 5.293 -0.535 17780 11264 1 18 . 1 1 74 74 TYR CA C 163 55.367 55.367 56.222 -0.855 17780 11265 1 18 . 1 1 74 74 TYR CB C 163 40.401 40.401 40.313 0.088 17780 11266 1 18 . 1 1 74 74 TYR H H 163 8.593 8.593 8.765 -0.172 17780 11267 1 18 . 1 1 76 76 PRO HA H 165 4.490 4.490 4.462 0.028 17780 11268 1 18 . 1 1 76 76 PRO CA C 165 62.967 62.967 63.517 -0.550 17780 11269 1 18 . 1 1 76 76 PRO CB C 165 32.372 32.372 32.310 0.062 17780 11270 1 18 . 1 1 77 77 MET N N 166 121.408 121.408 119.139 2.269 17780 11271 1 18 . 1 1 77 77 MET HA H 166 4.438 4.438 3.995 0.443 17780 11272 1 18 . 1 1 77 77 MET CA C 166 57.081 57.081 55.278 1.803 17780 11273 1 18 . 1 1 77 77 MET CB C 166 32.165 32.165 31.011 1.154 17780 11274 1 18 . 1 1 77 77 MET H H 166 9.013 9.013 8.339 0.674 17780 11275 1 18 . 1 1 78 78 ASP N N 167 119.933 119.933 123.391 -3.458 17780 11276 1 18 . 1 1 78 78 ASP HA H 167 4.754 4.754 4.852 -0.098 17780 11277 1 18 . 1 1 78 78 ASP CA C 167 52.485 52.485 53.551 -1.066 17780 11278 1 18 . 1 1 78 78 ASP CB C 167 38.802 38.802 43.200 -4.397 17780 11279 1 18 . 1 1 78 78 ASP H H 167 8.176 8.176 8.169 0.007 17780 11280 1 18 . 1 1 79 79 GLU N N 168 116.934 116.934 119.620 -2.686 17780 11281 1 18 . 1 1 79 79 GLU HA H 168 4.308 4.308 4.307 0.001 17780 11282 1 18 . 1 1 79 79 GLU CA C 168 58.638 58.638 56.848 1.790 17780 11283 1 18 . 1 1 79 79 GLU CB C 168 29.185 29.185 28.235 0.950 17780 11284 1 18 . 1 1 79 79 GLU H H 168 8.332 8.332 8.607 -0.276 17780 11285 1 18 . 1 1 81 81 SER N N 170 116.603 116.603 117.254 -0.651 17780 11286 1 18 . 1 1 81 81 SER HA H 170 4.374 4.374 4.196 0.178 17780 11287 1 18 . 1 1 81 81 SER CA C 170 58.475 58.475 58.749 -0.274 17780 11288 1 18 . 1 1 81 81 SER CB C 170 63.677 63.677 63.007 0.670 17780 11289 1 18 . 1 1 81 81 SER H H 170 8.560 8.560 8.435 0.125 17780 11290 1 18 . 1 1 83 83 GLN N N 172 120.404 120.404 118.462 1.942 17780 11291 1 18 . 1 1 83 83 GLN HA H 172 4.750 4.750 4.453 0.297 17780 11292 1 18 . 1 1 83 83 GLN CA C 172 59.899 59.899 54.951 4.948 17780 11293 1 18 . 1 1 83 83 GLN CB C 172 29.023 29.023 32.239 -3.216 17780 11294 1 18 . 1 1 83 83 GLN H H 172 8.635 8.635 8.336 0.299 17780 11295 1 18 . 1 1 84 84 ASN N N 173 116.470 116.470 120.199 -3.729 17780 11296 1 18 . 1 1 84 84 ASN HA H 173 4.237 4.237 4.235 0.002 17780 11297 1 18 . 1 1 84 84 ASN CA C 173 56.470 56.470 55.294 1.176 17780 11298 1 18 . 1 1 84 84 ASN CB C 173 37.812 37.812 38.603 -0.791 17780 11299 1 18 . 1 1 84 84 ASN H H 173 8.352 8.352 8.833 -0.481 17780 11300 1 18 . 1 1 85 85 ASN N N 174 118.500 118.500 118.873 -0.373 17780 11301 1 18 . 1 1 85 85 ASN HA H 174 4.534 4.534 4.547 -0.013 17780 11302 1 18 . 1 1 85 85 ASN CA C 174 55.905 55.905 55.222 0.682 17780 11303 1 18 . 1 1 85 85 ASN CB C 174 37.760 37.760 37.972 -0.212 17780 11304 1 18 . 1 1 85 85 ASN H H 174 8.602 8.602 8.476 0.126 17780 11305 1 18 . 1 1 86 86 PHE CB C 175 39.641 39.641 38.319 1.322 17780 11306 1 18 . 1 1 87 87 VAL N N 176 120.134 120.134 120.699 -0.565 17780 11307 1 18 . 1 1 87 87 VAL HA H 176 3.564 3.564 2.642 0.922 17780 11308 1 18 . 1 1 87 87 VAL CA C 176 67.737 67.737 65.678 2.059 17780 11309 1 18 . 1 1 87 87 VAL CB C 176 31.951 31.951 30.193 1.758 17780 11310 1 18 . 1 1 87 87 VAL H H 176 9.002 9.002 7.308 1.694 17780 11311 1 18 . 1 1 88 88 HIS N N 177 117.217 117.217 119.073 -1.856 17780 11312 1 18 . 1 1 88 88 HIS HA H 177 4.304 4.304 4.120 0.184 17780 11313 1 18 . 1 1 88 88 HIS CA C 177 59.781 59.781 60.671 -0.890 17780 11314 1 18 . 1 1 88 88 HIS CB C 177 28.264 28.264 29.689 -1.425 17780 11315 1 18 . 1 1 88 88 HIS H H 177 8.330 8.330 7.931 0.399 17780 11316 1 18 . 1 1 89 89 ASP N N 178 118.497 118.497 119.661 -1.164 17780 11317 1 18 . 1 1 89 89 ASP HA H 178 4.500 4.500 4.599 -0.099 17780 11318 1 18 . 1 1 89 89 ASP CA C 178 57.423 57.423 56.901 0.522 17780 11319 1 18 . 1 1 89 89 ASP CB C 178 41.792 41.792 40.810 0.982 17780 11320 1 18 . 1 1 89 89 ASP H H 178 7.696 7.696 7.847 -0.151 17780 11321 1 18 . 1 1 90 90 CYS N N 179 119.012 119.012 121.571 -2.559 17780 11322 1 18 . 1 1 90 90 CYS HA H 179 4.753 4.753 4.387 0.366 17780 11323 1 18 . 1 1 90 90 CYS CA C 179 58.466 58.466 62.072 -3.606 17780 11324 1 18 . 1 1 90 90 CYS CB C 179 40.758 40.758 26.128 14.630 17780 11325 1 18 . 1 1 90 90 CYS H H 179 8.037 8.037 7.705 0.332 17780 11326 1 18 . 1 1 91 91 VAL N N 180 125.063 125.063 120.945 4.118 17780 11327 1 18 . 1 1 91 91 VAL HA H 180 3.667 3.667 3.660 0.007 17780 11328 1 18 . 1 1 91 91 VAL CA C 180 66.293 66.293 66.251 0.042 17780 11329 1 18 . 1 1 91 91 VAL CB C 180 32.028 32.028 31.273 0.755 17780 11330 1 18 . 1 1 91 91 VAL H H 180 9.212 9.212 8.487 0.725 17780 11331 1 18 . 1 1 92 92 ASN N N 181 116.153 116.153 119.142 -2.989 17780 11332 1 18 . 1 1 92 92 ASN HA H 181 4.311 4.311 4.416 -0.105 17780 11333 1 18 . 1 1 92 92 ASN CA C 181 56.622 56.622 56.229 0.393 17780 11334 1 18 . 1 1 92 92 ASN CB C 181 38.749 38.749 38.218 0.531 17780 11335 1 18 . 1 1 92 92 ASN H H 181 7.626 7.626 7.645 -0.019 17780 11336 1 18 . 1 1 93 93 ILE N N 182 118.637 118.637 120.041 -1.404 17780 11337 1 18 . 1 1 93 93 ILE HA H 182 3.787 3.787 3.761 0.026 17780 11338 1 18 . 1 1 93 93 ILE CA C 182 62.078 62.078 64.109 -2.031 17780 11339 1 18 . 1 1 93 93 ILE CB C 182 36.535 36.535 36.664 -0.129 17780 11340 1 18 . 1 1 93 93 ILE H H 182 8.610 8.610 8.612 -0.002 17780 11341 1 18 . 1 1 94 94 THR N N 183 118.229 118.229 117.819 0.410 17780 11342 1 18 . 1 1 94 94 THR HA H 183 4.097 4.097 4.074 0.023 17780 11343 1 18 . 1 1 94 94 THR CA C 183 68.834 68.834 67.638 1.196 17780 11344 1 18 . 1 1 94 94 THR CB C 183 68.258 68.258 68.534 -0.276 17780 11345 1 18 . 1 1 94 94 THR H H 183 8.140 8.140 8.289 -0.149 17780 11346 1 18 . 1 1 95 95 ILE N N 184 120.906 120.906 121.348 -0.442 17780 11347 1 18 . 1 1 95 95 ILE HA H 184 3.666 3.666 3.867 -0.201 17780 11348 1 18 . 1 1 95 95 ILE CA C 184 66.259 66.259 63.071 3.188 17780 11349 1 18 . 1 1 95 95 ILE CB C 184 36.824 36.824 37.828 -1.004 17780 11350 1 18 . 1 1 95 95 ILE H H 184 8.450 8.450 7.815 0.635 17780 11351 1 18 . 1 1 96 96 LYS N N 185 123.208 123.208 121.416 1.792 17780 11352 1 18 . 1 1 96 96 LYS HA H 185 4.067 4.067 3.872 0.195 17780 11353 1 18 . 1 1 96 96 LYS CA C 185 59.987 59.987 60.158 -0.171 17780 11354 1 18 . 1 1 96 96 LYS CB C 185 32.119 32.119 32.157 -0.038 17780 11355 1 18 . 1 1 96 96 LYS H H 185 8.067 8.067 8.215 -0.148 17780 11356 1 18 . 1 1 97 97 GLN N N 186 116.879 116.879 118.490 -1.611 17780 11357 1 18 . 1 1 97 97 GLN HA H 186 4.059 4.059 3.954 0.105 17780 11358 1 18 . 1 1 97 97 GLN CA C 186 58.010 58.010 58.824 -0.814 17780 11359 1 18 . 1 1 97 97 GLN CB C 186 27.982 27.982 28.137 -0.155 17780 11360 1 18 . 1 1 97 97 GLN H H 186 8.493 8.493 8.320 0.173 17780 11361 1 18 . 1 1 98 98 HIS N N 187 119.676 119.676 121.538 -1.862 17780 11362 1 18 . 1 1 98 98 HIS HA H 187 4.579 4.579 4.381 0.198 17780 11363 1 18 . 1 1 98 98 HIS CA C 187 59.465 59.465 59.495 -0.030 17780 11364 1 18 . 1 1 98 98 HIS CB C 187 31.628 31.628 29.822 1.806 17780 11365 1 18 . 1 1 98 98 HIS H H 187 8.435 8.435 7.829 0.606 17780 11366 1 18 . 1 1 99 99 THR N N 188 114.500 114.500 115.678 -1.178 17780 11367 1 18 . 1 1 99 99 THR HA H 188 4.090 4.090 3.765 0.325 17780 11368 1 18 . 1 1 99 99 THR CA C 188 66.210 66.210 65.498 0.712 17780 11369 1 18 . 1 1 99 99 THR CB C 188 68.800 68.800 68.578 0.222 17780 11370 1 18 . 1 1 99 99 THR H H 188 8.440 8.440 8.326 0.114 17780 11371 1 18 . 1 1 100 100 VAL N N 189 122.934 122.934 121.139 1.795 17780 11372 1 18 . 1 1 100 100 VAL HA H 189 3.838 3.838 3.826 0.012 17780 11373 1 18 . 1 1 100 100 VAL CA C 189 65.832 65.832 65.474 0.358 17780 11374 1 18 . 1 1 100 100 VAL CB C 189 31.897 31.897 31.618 0.279 17780 11375 1 18 . 1 1 100 100 VAL H H 189 8.057 8.057 8.163 -0.106 17780 11376 1 18 . 1 1 101 101 THR N N 190 115.101 115.101 112.962 2.139 17780 11377 1 18 . 1 1 101 101 THR HA H 190 4.140 4.140 4.129 0.011 17780 11378 1 18 . 1 1 101 101 THR CA C 190 64.907 64.907 66.382 -1.475 17780 11379 1 18 . 1 1 101 101 THR CB C 190 69.041 69.041 68.203 0.839 17780 11380 1 18 . 1 1 101 101 THR H H 190 8.131 8.131 7.757 0.374 17780 11381 1 18 . 1 1 102 102 THR N N 191 114.546 114.546 119.047 -4.501 17780 11382 1 18 . 1 1 102 102 THR HA H 191 4.092 4.092 3.916 0.176 17780 11383 1 18 . 1 1 102 102 THR CA C 191 64.801 64.801 67.609 -2.808 17780 11384 1 18 . 1 1 102 102 THR CB C 191 69.145 69.145 68.162 0.983 17780 11385 1 18 . 1 1 102 102 THR H H 191 8.011 8.011 7.978 0.033 17780 11386 1 18 . 1 1 103 103 THR N N 192 117.876 117.876 113.198 4.678 17780 11387 1 18 . 1 1 103 103 THR HA H 192 4.373 4.373 4.666 -0.293 17780 11388 1 18 . 1 1 103 103 THR CA C 192 64.935 64.935 65.439 -0.504 17780 11389 1 18 . 1 1 103 103 THR CB C 192 69.043 69.043 68.323 0.720 17780 11390 1 18 . 1 1 103 103 THR H H 192 8.224 8.224 7.606 0.618 17780 11391 1 18 . 1 1 104 104 THR N N 193 116.232 116.232 118.444 -2.212 17780 11392 1 18 . 1 1 104 104 THR HA H 193 4.204 4.204 4.123 0.081 17780 11393 1 18 . 1 1 104 104 THR CA C 193 64.311 64.311 65.436 -1.125 17780 11394 1 18 . 1 1 104 104 THR CB C 193 68.981 68.981 68.586 0.395 17780 11395 1 18 . 1 1 104 104 THR H H 193 7.805 7.805 7.507 0.298 17780 11396 1 18 . 1 1 105 105 LYS N N 194 119.843 119.843 118.504 1.339 17780 11397 1 18 . 1 1 105 105 LYS HA H 194 4.384 4.384 4.368 0.016 17780 11398 1 18 . 1 1 105 105 LYS CA C 194 56.220 56.220 55.629 0.591 17780 11399 1 18 . 1 1 105 105 LYS CB C 194 32.527 32.527 32.509 0.018 17780 11400 1 18 . 1 1 105 105 LYS H H 194 7.504 7.504 7.840 -0.336 17780 11401 1 18 . 1 1 106 106 GLY N N 195 107.946 107.946 107.582 0.364 17780 11402 1 18 . 1 1 106 106 GLY CA C 195 45.431 45.431 45.162 0.269 17780 11403 1 18 . 1 1 106 106 GLY H H 195 7.924 7.924 7.566 0.358 17780 11404 1 18 . 1 1 107 107 GLU N N 196 120.063 120.063 120.124 -0.061 17780 11405 1 18 . 1 1 107 107 GLU HA H 196 4.255 4.255 4.665 -0.410 17780 11406 1 18 . 1 1 107 107 GLU CA C 196 55.597 55.597 54.789 0.808 17780 11407 1 18 . 1 1 107 107 GLU CB C 196 31.073 31.073 32.653 -1.580 17780 11408 1 18 . 1 1 107 107 GLU H H 196 7.465 7.465 8.243 -0.778 17780 11409 1 18 . 1 1 108 108 ASN N N 197 119.350 119.350 119.207 0.143 17780 11410 1 18 . 1 1 108 108 ASN HA H 197 4.657 4.657 5.094 -0.437 17780 11411 1 18 . 1 1 108 108 ASN CA C 197 52.673 52.673 53.099 -0.426 17780 11412 1 18 . 1 1 108 108 ASN CB C 197 40.827 40.827 40.441 0.386 17780 11413 1 18 . 1 1 108 108 ASN H H 197 8.458 8.458 8.434 0.024 17780 11414 1 18 . 1 1 109 109 PHE N N 198 121.688 121.688 120.018 1.670 17780 11415 1 18 . 1 1 109 109 PHE HA H 198 5.317 5.317 4.994 0.323 17780 11416 1 18 . 1 1 109 109 PHE CA C 198 56.571 56.571 56.683 -0.112 17780 11417 1 18 . 1 1 109 109 PHE CB C 198 40.093 40.093 42.882 -2.788 17780 11418 1 18 . 1 1 109 109 PHE H H 198 8.709 8.709 8.750 -0.041 17780 11419 1 18 . 1 1 110 110 THR N N 199 115.904 115.904 115.309 0.595 17780 11420 1 18 . 1 1 110 110 THR HA H 199 4.624 4.624 4.574 0.050 17780 11421 1 18 . 1 1 110 110 THR CA C 199 60.343 60.343 61.034 -0.691 17780 11422 1 18 . 1 1 110 110 THR CB C 199 72.033 72.033 70.589 1.444 17780 11423 1 18 . 1 1 110 110 THR H H 199 9.547 9.547 8.987 0.560 17780 11424 1 18 . 1 1 111 111 GLU N N 200 119.988 119.988 120.874 -0.886 17780 11425 1 18 . 1 1 111 111 GLU HA H 200 4.067 4.067 3.992 0.075 17780 11426 1 18 . 1 1 111 111 GLU CA C 200 60.027 60.027 59.813 0.214 17780 11427 1 18 . 1 1 111 111 GLU CB C 200 28.976 28.976 28.689 0.287 17780 11428 1 18 . 1 1 111 111 GLU H H 200 9.132 9.132 8.924 0.208 17780 11429 1 18 . 1 1 112 112 THR N N 201 116.221 116.221 115.996 0.225 17780 11430 1 18 . 1 1 112 112 THR HA H 201 3.796 3.796 4.180 -0.384 17780 11431 1 18 . 1 1 112 112 THR CA C 201 66.781 66.781 66.121 0.660 17780 11432 1 18 . 1 1 112 112 THR CB C 201 68.581 68.581 68.227 0.354 17780 11433 1 18 . 1 1 112 112 THR H H 201 7.934 7.934 8.160 -0.226 17780 11434 1 18 . 1 1 113 113 ASP N N 202 120.001 120.001 123.263 -3.262 17780 11435 1 18 . 1 1 113 113 ASP HA H 202 4.598 4.598 4.592 0.006 17780 11436 1 18 . 1 1 113 113 ASP CA C 202 57.984 57.984 58.315 -0.331 17780 11437 1 18 . 1 1 113 113 ASP CB C 202 41.756 41.756 41.024 0.732 17780 11438 1 18 . 1 1 113 113 ASP H H 202 7.503 7.503 8.209 -0.706 17780 11439 1 18 . 1 1 114 114 VAL N N 203 119.529 119.529 119.286 0.243 17780 11440 1 18 . 1 1 114 114 VAL HA H 203 3.279 3.279 3.555 -0.276 17780 11441 1 18 . 1 1 114 114 VAL CA C 203 67.817 67.817 66.623 1.194 17780 11442 1 18 . 1 1 114 114 VAL CB C 203 31.528 31.528 31.575 -0.047 17780 11443 1 18 . 1 1 114 114 VAL H H 203 8.209 8.209 7.869 0.340 17780 11444 1 18 . 1 1 115 115 LYS N N 204 119.051 119.051 120.298 -1.247 17780 11445 1 18 . 1 1 115 115 LYS HA H 204 4.082 4.082 4.206 -0.124 17780 11446 1 18 . 1 1 115 115 LYS CA C 204 59.268 59.268 59.285 -0.017 17780 11447 1 18 . 1 1 115 115 LYS CB C 204 31.979 31.979 32.694 -0.715 17780 11448 1 18 . 1 1 115 115 LYS H H 204 7.714 7.714 7.905 -0.191 17780 11449 1 18 . 1 1 116 116 MET N N 205 118.581 118.581 116.686 1.895 17780 11450 1 18 . 1 1 116 116 MET HA H 205 4.167 4.167 4.448 -0.281 17780 11451 1 18 . 1 1 116 116 MET CA C 205 59.984 59.984 58.534 1.450 17780 11452 1 18 . 1 1 116 116 MET CB C 205 32.933 32.933 33.242 -0.309 17780 11453 1 18 . 1 1 116 116 MET H H 205 8.182 8.182 8.234 -0.052 17780 11454 1 18 . 1 1 117 117 MET N N 206 118.259 118.259 117.531 0.728 17780 11455 1 18 . 1 1 117 117 MET HA H 206 3.561 3.561 4.045 -0.484 17780 11456 1 18 . 1 1 117 117 MET CA C 206 59.967 59.967 58.413 1.554 17780 11457 1 18 . 1 1 117 117 MET CB C 206 33.824 33.824 31.719 2.105 17780 11458 1 18 . 1 1 117 117 MET H H 206 8.691 8.691 8.014 0.677 17780 11459 1 18 . 1 1 118 118 GLU N N 207 118.878 118.878 120.034 -1.156 17780 11460 1 18 . 1 1 118 118 GLU HA H 207 3.658 3.658 3.891 -0.233 17780 11461 1 18 . 1 1 118 118 GLU CA C 207 60.702 60.702 59.180 1.522 17780 11462 1 18 . 1 1 118 118 GLU CB C 207 29.000 29.000 29.475 -0.475 17780 11463 1 18 . 1 1 118 118 GLU H H 207 8.544 8.544 7.856 0.688 17780 11464 1 18 . 1 1 119 119 ARG N N 208 116.694 116.694 117.865 -1.171 17780 11465 1 18 . 1 1 119 119 ARG HA H 208 4.228 4.228 4.046 0.182 17780 11466 1 18 . 1 1 119 119 ARG CA C 208 58.554 58.554 58.893 -0.339 17780 11467 1 18 . 1 1 119 119 ARG CB C 208 30.136 30.136 29.864 0.272 17780 11468 1 18 . 1 1 119 119 ARG H H 208 7.289 7.289 7.616 -0.327 17780 11469 1 18 . 1 1 120 120 VAL N N 209 119.035 119.035 116.018 3.017 17780 11470 1 18 . 1 1 120 120 VAL HA H 209 3.837 3.837 4.064 -0.227 17780 11471 1 18 . 1 1 120 120 VAL CA C 209 65.766 65.766 65.324 0.442 17780 11472 1 18 . 1 1 120 120 VAL CB C 209 32.213 32.213 31.468 0.745 17780 11473 1 18 . 1 1 120 120 VAL H H 209 8.279 8.279 7.294 0.985 17780 11474 1 18 . 1 1 121 121 VAL N N 210 121.668 121.668 116.398 5.270 17780 11475 1 18 . 1 1 121 121 VAL HA H 210 3.597 3.597 3.791 -0.194 17780 11476 1 18 . 1 1 121 121 VAL CA C 210 66.639 66.639 65.488 1.151 17780 11477 1 18 . 1 1 121 121 VAL CB C 210 31.097 31.097 30.330 0.767 17780 11478 1 18 . 1 1 121 121 VAL H H 210 9.183 9.183 7.555 1.628 17780 11479 1 18 . 1 1 122 122 GLU N N 211 120.770 120.770 120.833 -0.063 17780 11480 1 18 . 1 1 122 122 GLU HA H 211 3.603 3.603 3.854 -0.251 17780 11481 1 18 . 1 1 122 122 GLU CA C 211 61.132 61.132 60.024 1.108 17780 11482 1 18 . 1 1 122 122 GLU CB C 211 29.153 29.153 29.025 0.128 17780 11483 1 18 . 1 1 122 122 GLU H H 211 8.041 8.041 7.602 0.439 17780 11484 1 18 . 1 1 123 123 GLN N N 212 114.580 114.580 117.063 -2.483 17780 11485 1 18 . 1 1 123 123 GLN HA H 212 3.662 3.662 4.142 -0.480 17780 11486 1 18 . 1 1 123 123 GLN CA C 212 58.509 58.509 57.495 1.014 17780 11487 1 18 . 1 1 123 123 GLN CB C 212 27.824 27.824 28.273 -0.449 17780 11488 1 18 . 1 1 123 123 GLN H H 212 7.096 7.096 7.711 -0.615 17780 11489 1 18 . 1 1 124 124 MET N N 213 119.748 119.748 121.382 -1.634 17780 11490 1 18 . 1 1 124 124 MET HA H 213 4.167 4.167 4.298 -0.131 17780 11491 1 18 . 1 1 124 124 MET CA C 213 59.928 59.928 58.796 1.132 17780 11492 1 18 . 1 1 124 124 MET CB C 213 34.529 34.529 32.715 1.813 17780 11493 1 18 . 1 1 124 124 MET H H 213 8.145 8.145 7.798 0.347 17780 11494 1 18 . 1 1 125 125 CYS N N 214 119.538 119.538 119.761 -0.223 17780 11495 1 18 . 1 1 125 125 CYS HA H 214 4.427 4.427 4.146 0.281 17780 11496 1 18 . 1 1 125 125 CYS CA C 214 59.838 59.838 62.329 -2.491 17780 11497 1 18 . 1 1 125 125 CYS CB C 214 41.798 41.798 25.580 16.218 17780 11498 1 18 . 1 1 125 125 CYS H H 214 9.275 9.275 8.175 1.100 17780 11499 1 18 . 1 1 126 126 ILE N N 215 123.982 123.982 120.820 3.162 17780 11500 1 18 . 1 1 126 126 ILE HA H 215 3.579 3.579 3.916 -0.337 17780 11501 1 18 . 1 1 126 126 ILE CA C 215 66.649 66.649 65.664 0.985 17780 11502 1 18 . 1 1 126 126 ILE CB C 215 38.152 38.152 37.924 0.228 17780 11503 1 18 . 1 1 126 126 ILE H H 215 8.434 8.434 7.827 0.607 17780 11504 1 18 . 1 1 127 127 THR N N 216 118.728 118.728 116.519 2.209 17780 11505 1 18 . 1 1 127 127 THR HA H 216 3.835 3.835 3.979 -0.144 17780 11506 1 18 . 1 1 127 127 THR CA C 216 67.425 67.425 67.044 0.381 17780 11507 1 18 . 1 1 127 127 THR CB C 216 68.035 68.035 68.338 -0.303 17780 11508 1 18 . 1 1 127 127 THR H H 216 8.097 8.097 7.960 0.137 17780 11509 1 18 . 1 1 128 128 GLN N N 217 122.368 122.368 120.721 1.647 17780 11510 1 18 . 1 1 128 128 GLN HA H 217 3.662 3.662 4.147 -0.485 17780 11511 1 18 . 1 1 128 128 GLN CA C 217 58.462 58.462 58.236 0.226 17780 11512 1 18 . 1 1 128 128 GLN CB C 217 28.075 28.075 28.430 -0.355 17780 11513 1 18 . 1 1 128 128 GLN H H 217 8.637 8.637 7.792 0.845 17780 11514 1 18 . 1 1 129 129 TYR N N 218 121.512 121.512 122.841 -1.329 17780 11515 1 18 . 1 1 129 129 TYR HA H 218 2.929 2.929 3.967 -1.038 17780 11516 1 18 . 1 1 129 129 TYR CA C 218 61.904 61.904 61.638 0.266 17780 11517 1 18 . 1 1 129 129 TYR CB C 218 37.075 37.075 38.316 -1.241 17780 11518 1 18 . 1 1 129 129 TYR H H 218 8.705 8.705 8.929 -0.224 17780 11519 1 18 . 1 1 130 130 LYS N N 219 120.801 120.801 117.548 3.253 17780 11520 1 18 . 1 1 130 130 LYS HA H 219 3.667 3.667 3.565 0.102 17780 11521 1 18 . 1 1 130 130 LYS CA C 219 60.001 60.001 58.077 1.924 17780 11522 1 18 . 1 1 130 130 LYS CB C 219 31.732 31.732 31.386 0.346 17780 11523 1 18 . 1 1 130 130 LYS H H 219 8.232 8.232 8.346 -0.114 17780 11524 1 18 . 1 1 131 131 ARG HA H 220 3.978 3.978 3.937 0.041 17780 11525 1 18 . 1 1 131 131 ARG CA C 220 59.013 59.013 59.400 -0.387 17780 11526 1 18 . 1 1 131 131 ARG CB C 220 30.028 30.028 30.218 -0.190 17780 11527 1 18 . 1 1 132 132 GLU N N 221 119.690 119.690 118.139 1.551 17780 11528 1 18 . 1 1 132 132 GLU HA H 221 4.035 4.035 4.159 -0.124 17780 11529 1 18 . 1 1 132 132 GLU CA C 221 58.006 58.006 58.305 -0.299 17780 11530 1 18 . 1 1 132 132 GLU CB C 221 29.270 29.270 29.076 0.194 17780 11531 1 18 . 1 1 132 132 GLU H H 221 8.521 8.521 8.141 0.380 17780 11532 1 18 . 1 1 133 133 SER N N 222 115.963 115.963 116.208 -0.245 17780 11533 1 18 . 1 1 133 133 SER HA H 222 3.884 3.884 3.904 -0.020 17780 11534 1 18 . 1 1 133 133 SER CA C 222 61.500 61.500 61.780 -0.280 17780 11535 1 18 . 1 1 133 133 SER CB C 222 62.207 62.207 62.066 0.140 17780 11536 1 18 . 1 1 133 133 SER H H 222 8.543 8.543 8.324 0.219 17780 11537 1 18 . 1 1 134 134 GLN N N 223 120.695 120.695 120.148 0.547 17780 11538 1 18 . 1 1 134 134 GLN HA H 223 4.152 4.152 3.690 0.462 17780 11539 1 18 . 1 1 134 134 GLN CA C 223 58.646 58.646 58.240 0.406 17780 11540 1 18 . 1 1 134 134 GLN CB C 223 28.299 28.299 28.436 -0.137 17780 11541 1 18 . 1 1 134 134 GLN H H 223 7.486 7.486 7.520 -0.034 17780 11542 1 18 . 1 1 135 135 ALA N N 224 120.905 120.905 121.671 -0.766 17780 11543 1 18 . 1 1 135 135 ALA HA H 224 4.169 4.169 4.081 0.088 17780 11544 1 18 . 1 1 135 135 ALA CA C 224 54.404 54.404 54.580 -0.175 17780 11545 1 18 . 1 1 135 135 ALA CB C 224 18.233 18.233 18.104 0.129 17780 11546 1 18 . 1 1 135 135 ALA H H 224 7.497 7.497 7.455 0.042 17780 11547 1 18 . 1 1 136 136 TYR N N 225 119.969 119.969 120.588 -0.619 17780 11548 1 18 . 1 1 136 136 TYR HA H 225 4.080 4.080 4.124 -0.044 17780 11549 1 18 . 1 1 136 136 TYR CA C 225 61.060 61.060 61.426 -0.366 17780 11550 1 18 . 1 1 136 136 TYR CB C 225 39.008 39.008 38.582 0.426 17780 11551 1 18 . 1 1 136 136 TYR H H 225 8.215 8.215 7.686 0.529 17780 11552 1 18 . 1 1 137 137 TYR N N 226 117.988 117.988 116.848 1.140 17780 11553 1 18 . 1 1 137 137 TYR HA H 226 4.319 4.319 3.998 0.321 17780 11554 1 18 . 1 1 137 137 TYR CA C 226 59.543 59.543 58.644 0.899 17780 11555 1 18 . 1 1 137 137 TYR CB C 226 37.769 37.769 36.750 1.019 17780 11556 1 18 . 1 1 137 137 TYR H H 226 8.022 8.022 8.531 -0.509 17780 11557 1 18 . 1 1 138 138 GLN N N 227 118.911 118.911 118.521 0.390 17780 11558 1 18 . 1 1 138 138 GLN HA H 227 4.189 4.189 4.078 0.111 17780 11559 1 18 . 1 1 138 138 GLN CA C 227 57.002 57.002 58.237 -1.235 17780 11560 1 18 . 1 1 138 138 GLN CB C 227 28.740 28.740 27.942 0.798 17780 11561 1 18 . 1 1 138 138 GLN H H 227 7.838 7.838 7.748 0.090 17780 11562 1 18 . 1 1 139 139 ARG N N 228 119.910 119.910 119.164 0.746 17780 11563 1 18 . 1 1 139 139 ARG HA H 228 4.207 4.207 4.081 0.126 17780 11564 1 18 . 1 1 139 139 ARG CA C 228 57.338 57.338 57.485 -0.147 17780 11565 1 18 . 1 1 139 139 ARG CB C 228 30.390 30.390 30.000 0.390 17780 11566 1 18 . 1 1 139 139 ARG H H 228 7.862 7.862 8.067 -0.205 17780 11567 1 18 . 1 1 140 140 GLY N N 229 108.627 108.627 105.113 3.514 17780 11568 1 18 . 1 1 140 140 GLY CA C 229 45.477 45.477 44.667 0.810 17780 11569 1 18 . 1 1 140 140 GLY H H 229 8.092 8.092 7.585 0.507 17780 11570 1 18 . 1 1 141 141 SER N N 230 115.141 115.141 114.036 1.105 17780 11571 1 18 . 1 1 141 141 SER HA H 230 4.330 4.330 3.900 0.430 17780 11572 1 18 . 1 1 141 141 SER CA C 230 58.650 58.650 58.758 -0.108 17780 11573 1 18 . 1 1 141 141 SER CB C 230 63.641 63.641 61.937 1.704 17780 11574 1 18 . 1 1 141 141 SER H H 230 8.050 8.050 7.877 0.173 17780 11575 1 19 . 1 1 2 2 GLN N N 91 119.729 119.729 120.211 -0.482 17780 11576 1 19 . 1 1 2 2 GLN HA H 91 4.407 4.407 4.458 -0.051 17780 11577 1 19 . 1 1 2 2 GLN CA C 91 55.969 55.969 56.017 -0.048 17780 11578 1 19 . 1 1 2 2 GLN CB C 91 29.576 29.576 29.416 0.160 17780 11579 1 19 . 1 1 2 2 GLN H H 91 8.267 8.267 8.558 -0.291 17780 11580 1 19 . 1 1 3 3 GLY N N 92 110.081 110.081 108.004 2.077 17780 11581 1 19 . 1 1 3 3 GLY CA C 92 45.115 45.115 44.104 1.011 17780 11582 1 19 . 1 1 3 3 GLY H H 92 8.515 8.515 8.424 0.091 17780 11583 1 19 . 1 1 4 4 GLY N N 93 108.748 108.748 105.698 3.050 17780 11584 1 19 . 1 1 4 4 GLY CA C 93 45.228 45.228 46.616 -1.388 17780 11585 1 19 . 1 1 4 4 GLY H H 93 8.331 8.331 10.765 -2.434 17780 11586 1 19 . 1 1 5 5 GLY N N 94 108.857 108.857 107.306 1.551 17780 11587 1 19 . 1 1 5 5 GLY CA C 94 45.172 45.172 45.096 0.076 17780 11588 1 19 . 1 1 5 5 GLY H H 94 8.362 8.362 8.323 0.039 17780 11589 1 19 . 1 1 6 6 THR N N 95 113.538 113.538 112.962 0.576 17780 11590 1 19 . 1 1 6 6 THR HA H 95 4.282 4.282 4.511 -0.229 17780 11591 1 19 . 1 1 6 6 THR CA C 95 61.906 61.906 61.549 0.357 17780 11592 1 19 . 1 1 6 6 THR CB C 95 69.711 69.711 69.757 -0.046 17780 11593 1 19 . 1 1 6 6 THR H H 95 8.129 8.129 7.744 0.385 17780 11594 1 19 . 1 1 7 7 HIS N N 96 121.027 121.027 124.469 -3.442 17780 11595 1 19 . 1 1 7 7 HIS HA H 96 4.713 4.713 4.674 0.039 17780 11596 1 19 . 1 1 7 7 HIS CA C 96 55.169 55.169 56.615 -1.446 17780 11597 1 19 . 1 1 7 7 HIS CB C 96 29.575 29.575 30.408 -0.833 17780 11598 1 19 . 1 1 7 7 HIS H H 96 8.497 8.497 8.604 -0.107 17780 11599 1 19 . 1 1 8 8 SER N N 97 117.031 117.031 119.955 -2.924 17780 11600 1 19 . 1 1 8 8 SER HA H 97 4.405 4.405 4.420 -0.015 17780 11601 1 19 . 1 1 8 8 SER CA C 97 58.379 58.379 58.240 0.139 17780 11602 1 19 . 1 1 8 8 SER CB C 97 63.535 63.535 63.925 -0.390 17780 11603 1 19 . 1 1 8 8 SER H H 97 8.275 8.275 8.278 -0.003 17780 11604 1 19 . 1 1 9 9 GLN N N 98 122.084 122.084 123.367 -1.283 17780 11605 1 19 . 1 1 9 9 GLN HA H 98 4.279 4.279 4.592 -0.313 17780 11606 1 19 . 1 1 9 9 GLN CA C 98 55.970 55.970 55.581 0.389 17780 11607 1 19 . 1 1 9 9 GLN CB C 98 29.157 29.157 30.461 -1.304 17780 11608 1 19 . 1 1 9 9 GLN H H 98 8.462 8.462 8.430 0.032 17780 11609 1 19 . 1 1 10 10 TRP N N 99 121.630 121.630 129.237 -7.607 17780 11610 1 19 . 1 1 10 10 TRP HA H 99 4.676 4.676 4.735 -0.059 17780 11611 1 19 . 1 1 10 10 TRP CA C 99 57.046 57.046 56.986 0.060 17780 11612 1 19 . 1 1 10 10 TRP CB C 99 29.440 29.440 30.485 -1.045 17780 11613 1 19 . 1 1 10 10 TRP H H 99 8.086 8.086 8.459 -0.373 17780 11614 1 19 . 1 1 11 11 ASN N N 100 120.591 120.591 122.776 -2.185 17780 11615 1 19 . 1 1 11 11 ASN HA H 100 4.602 4.602 4.485 0.117 17780 11616 1 19 . 1 1 11 11 ASN CA C 100 52.675 52.675 51.722 0.953 17780 11617 1 19 . 1 1 11 11 ASN CB C 100 38.781 38.781 40.676 -1.895 17780 11618 1 19 . 1 1 11 11 ASN H H 100 8.095 8.095 7.892 0.203 17780 11619 1 19 . 1 1 12 12 LYS N N 101 122.656 122.656 118.753 3.903 17780 11620 1 19 . 1 1 12 12 LYS HA H 101 4.435 4.435 4.315 0.120 17780 11621 1 19 . 1 1 12 12 LYS CA C 101 54.139 54.139 53.710 0.429 17780 11622 1 19 . 1 1 12 12 LYS CB C 101 32.474 32.474 32.221 0.253 17780 11623 1 19 . 1 1 12 12 LYS H H 101 7.985 7.985 7.952 0.033 17780 11624 1 19 . 1 1 13 13 PRO HA H 102 4.425 4.425 4.452 -0.027 17780 11625 1 19 . 1 1 13 13 PRO CA C 102 63.065 63.065 63.836 -0.771 17780 11626 1 19 . 1 1 13 13 PRO CB C 102 32.056 32.056 32.230 -0.174 17780 11627 1 19 . 1 1 14 14 SER N N 103 116.881 116.881 112.934 3.947 17780 11628 1 19 . 1 1 14 14 SER HA H 103 4.430 4.430 4.879 -0.449 17780 11629 1 19 . 1 1 14 14 SER CA C 103 57.973 57.973 57.489 0.484 17780 11630 1 19 . 1 1 14 14 SER CB C 103 63.669 63.669 64.749 -1.080 17780 11631 1 19 . 1 1 14 14 SER H H 103 8.420 8.420 7.744 0.676 17780 11632 1 19 . 1 1 15 15 LYS N N 104 124.163 124.163 122.502 1.661 17780 11633 1 19 . 1 1 15 15 LYS HA H 104 4.620 4.620 4.853 -0.233 17780 11634 1 19 . 1 1 15 15 LYS CA C 104 54.160 54.160 53.599 0.562 17780 11635 1 19 . 1 1 15 15 LYS CB C 104 32.606 32.606 32.607 -0.001 17780 11636 1 19 . 1 1 15 15 LYS H H 104 8.321 8.321 8.442 -0.121 17780 11637 1 19 . 1 1 16 16 PRO HA H 105 4.412 4.412 4.468 -0.056 17780 11638 1 19 . 1 1 16 16 PRO CA C 105 63.012 63.012 62.831 0.181 17780 11639 1 19 . 1 1 16 16 PRO CB C 105 32.152 32.152 32.272 -0.120 17780 11640 1 19 . 1 1 17 17 LYS N N 106 122.072 122.072 120.718 1.354 17780 11641 1 19 . 1 1 17 17 LYS HA H 106 4.338 4.338 4.639 -0.301 17780 11642 1 19 . 1 1 17 17 LYS CA C 106 56.299 56.299 55.455 0.844 17780 11643 1 19 . 1 1 17 17 LYS CB C 106 32.928 32.928 35.164 -2.236 17780 11644 1 19 . 1 1 17 17 LYS H H 106 8.516 8.516 8.069 0.447 17780 11645 1 19 . 1 1 18 18 THR N N 107 115.252 115.252 115.274 -0.022 17780 11646 1 19 . 1 1 18 18 THR HA H 107 4.323 4.323 4.571 -0.248 17780 11647 1 19 . 1 1 18 18 THR CA C 107 61.523 61.523 61.988 -0.465 17780 11648 1 19 . 1 1 18 18 THR CB C 107 69.778 69.778 69.219 0.559 17780 11649 1 19 . 1 1 18 18 THR H H 107 8.133 8.133 8.409 -0.276 17780 11650 1 19 . 1 1 19 19 ASN N N 108 121.344 121.344 121.424 -0.080 17780 11651 1 19 . 1 1 19 19 ASN HA H 108 4.712 4.712 4.825 -0.113 17780 11652 1 19 . 1 1 19 19 ASN CA C 108 53.019 53.019 53.164 -0.145 17780 11653 1 19 . 1 1 19 19 ASN CB C 108 38.728 38.728 38.640 0.088 17780 11654 1 19 . 1 1 19 19 ASN H H 108 8.537 8.537 8.646 -0.109 17780 11655 1 19 . 1 1 20 20 MET N N 109 121.309 121.309 119.678 1.631 17780 11656 1 19 . 1 1 20 20 MET HA H 109 4.437 4.437 4.633 -0.196 17780 11657 1 19 . 1 1 20 20 MET CA C 109 55.446 55.446 56.200 -0.754 17780 11658 1 19 . 1 1 20 20 MET CB C 109 32.809 32.809 33.650 -0.841 17780 11659 1 19 . 1 1 20 20 MET H H 109 8.346 8.346 8.027 0.319 17780 11660 1 19 . 1 1 21 21 LYS N N 110 122.292 122.292 120.604 1.688 17780 11661 1 19 . 1 1 21 21 LYS HA H 110 4.237 4.237 4.678 -0.441 17780 11662 1 19 . 1 1 21 21 LYS CA C 110 56.394 56.394 55.670 0.724 17780 11663 1 19 . 1 1 21 21 LYS CB C 110 32.923 32.923 34.632 -1.708 17780 11664 1 19 . 1 1 21 21 LYS H H 110 8.300 8.300 8.313 -0.013 17780 11665 1 19 . 1 1 22 22 HIS N N 111 120.193 120.193 120.766 -0.573 17780 11666 1 19 . 1 1 22 22 HIS HA H 111 4.642 4.642 4.885 -0.243 17780 11667 1 19 . 1 1 22 22 HIS CA C 111 55.391 55.391 55.679 -0.288 17780 11668 1 19 . 1 1 22 22 HIS CB C 111 29.501 29.501 30.358 -0.857 17780 11669 1 19 . 1 1 22 22 HIS H H 111 8.406 8.406 8.606 -0.200 17780 11670 1 19 . 1 1 23 23 MET N N 112 122.529 122.529 122.832 -0.303 17780 11671 1 19 . 1 1 23 23 MET HA H 112 4.464 4.464 4.657 -0.193 17780 11672 1 19 . 1 1 23 23 MET CA C 112 55.125 55.125 54.457 0.668 17780 11673 1 19 . 1 1 23 23 MET CB C 112 32.930 32.930 35.074 -2.144 17780 11674 1 19 . 1 1 23 23 MET H H 112 8.326 8.326 8.664 -0.338 17780 11675 1 19 . 1 1 24 24 ALA N N 113 125.642 125.642 122.732 2.910 17780 11676 1 19 . 1 1 24 24 ALA HA H 113 4.315 4.315 4.573 -0.258 17780 11677 1 19 . 1 1 24 24 ALA CA C 113 52.521 52.521 51.905 0.616 17780 11678 1 19 . 1 1 24 24 ALA CB C 113 19.181 19.181 21.315 -2.134 17780 11679 1 19 . 1 1 24 24 ALA H H 113 8.370 8.370 8.300 0.070 17780 11680 1 19 . 1 1 25 25 GLY N N 114 108.473 108.473 106.886 1.587 17780 11681 1 19 . 1 1 25 25 GLY CA C 114 45.175 45.175 45.296 -0.121 17780 11682 1 19 . 1 1 25 25 GLY H H 114 8.373 8.373 9.147 -0.774 17780 11683 1 19 . 1 1 26 26 ALA N N 115 123.872 123.872 122.269 1.603 17780 11684 1 19 . 1 1 26 26 ALA HA H 115 4.316 4.316 4.816 -0.500 17780 11685 1 19 . 1 1 26 26 ALA CA C 115 52.496 52.496 53.192 -0.696 17780 11686 1 19 . 1 1 26 26 ALA CB C 115 19.181 19.181 19.936 -0.755 17780 11687 1 19 . 1 1 26 26 ALA H H 115 8.134 8.134 9.072 -0.938 17780 11688 1 19 . 1 1 27 27 ALA N N 116 123.172 123.172 125.799 -2.627 17780 11689 1 19 . 1 1 27 27 ALA HA H 116 4.287 4.287 4.242 0.045 17780 11690 1 19 . 1 1 27 27 ALA CA C 116 52.464 52.464 52.687 -0.223 17780 11691 1 19 . 1 1 27 27 ALA CB C 116 19.180 19.180 19.317 -0.137 17780 11692 1 19 . 1 1 27 27 ALA H H 116 8.268 8.268 8.508 -0.240 17780 11693 1 19 . 1 1 28 28 ALA N N 117 123.253 123.253 122.535 0.718 17780 11694 1 19 . 1 1 28 28 ALA HA H 117 4.277 4.277 4.661 -0.384 17780 11695 1 19 . 1 1 28 28 ALA CA C 117 52.383 52.383 52.066 0.317 17780 11696 1 19 . 1 1 28 28 ALA CB C 117 19.156 19.156 18.532 0.624 17780 11697 1 19 . 1 1 28 28 ALA H H 117 8.169 8.169 7.877 0.292 17780 11698 1 19 . 1 1 29 29 ALA N N 118 123.225 123.225 125.088 -1.863 17780 11699 1 19 . 1 1 29 29 ALA HA H 118 4.282 4.282 4.487 -0.205 17780 11700 1 19 . 1 1 29 29 ALA CA C 118 52.469 52.469 51.785 0.684 17780 11701 1 19 . 1 1 29 29 ALA CB C 118 19.129 19.129 20.605 -1.476 17780 11702 1 19 . 1 1 29 29 ALA H H 118 8.204 8.204 7.955 0.249 17780 11703 1 19 . 1 1 30 30 GLY N N 119 107.906 107.906 106.665 1.241 17780 11704 1 19 . 1 1 30 30 GLY CA C 119 45.089 45.089 44.853 0.236 17780 11705 1 19 . 1 1 30 30 GLY H H 119 8.271 8.271 8.294 -0.023 17780 11706 1 19 . 1 1 31 31 ALA N N 120 123.540 123.540 124.759 -1.219 17780 11707 1 19 . 1 1 31 31 ALA HA H 120 4.339 4.339 4.351 -0.012 17780 11708 1 19 . 1 1 31 31 ALA CA C 120 52.282 52.282 52.646 -0.364 17780 11709 1 19 . 1 1 31 31 ALA CB C 120 19.432 19.432 18.831 0.601 17780 11710 1 19 . 1 1 31 31 ALA H H 120 8.039 8.039 7.807 0.232 17780 11711 1 19 . 1 1 32 32 VAL N N 121 119.579 119.579 115.559 4.020 17780 11712 1 19 . 1 1 32 32 VAL HA H 121 4.117 4.117 3.769 0.348 17780 11713 1 19 . 1 1 32 32 VAL CA C 121 62.142 62.142 63.625 -1.483 17780 11714 1 19 . 1 1 32 32 VAL CB C 121 32.673 32.673 30.642 2.031 17780 11715 1 19 . 1 1 32 32 VAL H H 121 8.109 8.109 8.783 -0.674 17780 11716 1 19 . 1 1 33 33 VAL N N 122 124.655 124.655 121.532 3.123 17780 11717 1 19 . 1 1 33 33 VAL HA H 122 4.081 4.081 3.994 0.087 17780 11718 1 19 . 1 1 33 33 VAL CA C 122 62.430 62.430 63.943 -1.513 17780 11719 1 19 . 1 1 33 33 VAL CB C 122 32.675 32.675 31.716 0.959 17780 11720 1 19 . 1 1 33 33 VAL H H 122 8.262 8.262 7.464 0.798 17780 11721 1 19 . 1 1 34 34 GLY N N 123 113.165 113.165 108.679 4.486 17780 11722 1 19 . 1 1 34 34 GLY CA C 123 45.264 45.264 44.581 0.683 17780 11723 1 19 . 1 1 34 34 GLY H H 123 8.528 8.528 8.376 0.152 17780 11724 1 19 . 1 1 35 35 GLY N N 124 108.440 108.440 108.393 0.047 17780 11725 1 19 . 1 1 35 35 GLY CA C 124 45.264 45.264 45.681 -0.416 17780 11726 1 19 . 1 1 35 35 GLY H H 124 8.245 8.245 8.045 0.200 17780 11727 1 19 . 1 1 36 36 LEU N N 125 121.679 121.679 120.380 1.299 17780 11728 1 19 . 1 1 36 36 LEU HA H 125 4.340 4.340 4.444 -0.104 17780 11729 1 19 . 1 1 36 36 LEU CA C 125 54.808 54.808 55.772 -0.964 17780 11730 1 19 . 1 1 36 36 LEU CB C 125 42.417 42.417 42.608 -0.191 17780 11731 1 19 . 1 1 36 36 LEU H H 125 8.233 8.233 7.696 0.537 17780 11732 1 19 . 1 1 37 37 GLY N N 126 109.818 109.818 107.694 2.124 17780 11733 1 19 . 1 1 37 37 GLY CA C 126 46.266 46.266 45.740 0.526 17780 11734 1 19 . 1 1 37 37 GLY H H 126 8.511 8.511 8.355 0.156 17780 11735 1 19 . 1 1 38 38 GLY N N 127 109.485 109.485 109.608 -0.123 17780 11736 1 19 . 1 1 38 38 GLY CA C 127 45.029 45.029 45.021 0.008 17780 11737 1 19 . 1 1 38 38 GLY H H 127 8.374 8.374 7.864 0.510 17780 11738 1 19 . 1 1 39 39 TYR N N 128 117.683 117.683 119.417 -1.734 17780 11739 1 19 . 1 1 39 39 TYR HA H 128 4.501 4.501 4.258 0.242 17780 11740 1 19 . 1 1 39 39 TYR CA C 128 58.050 58.050 58.157 -0.107 17780 11741 1 19 . 1 1 39 39 TYR CB C 128 40.362 40.362 38.705 1.657 17780 11742 1 19 . 1 1 39 39 TYR H H 128 7.746 7.746 7.958 -0.212 17780 11743 1 19 . 1 1 40 40 MET N N 129 120.902 120.902 117.510 3.392 17780 11744 1 19 . 1 1 40 40 MET HA H 129 4.534 4.534 4.855 -0.321 17780 11745 1 19 . 1 1 40 40 MET CA C 129 53.516 53.516 53.858 -0.342 17780 11746 1 19 . 1 1 40 40 MET CB C 129 34.851 34.851 36.902 -2.051 17780 11747 1 19 . 1 1 40 40 MET H H 129 9.005 9.005 8.523 0.482 17780 11748 1 19 . 1 1 41 41 LEU N N 130 121.514 121.514 117.348 4.166 17780 11749 1 19 . 1 1 41 41 LEU HA H 130 4.464 4.464 5.273 -0.809 17780 11750 1 19 . 1 1 41 41 LEU CA C 130 53.359 53.359 53.050 0.309 17780 11751 1 19 . 1 1 41 41 LEU CB C 130 43.482 43.482 45.910 -2.428 17780 11752 1 19 . 1 1 41 41 LEU H H 130 8.034 8.034 8.210 -0.176 17780 11753 1 19 . 1 1 42 42 GLY N N 131 114.895 114.895 108.383 6.512 17780 11754 1 19 . 1 1 42 42 GLY CA C 131 44.698 44.698 44.501 0.197 17780 11755 1 19 . 1 1 42 42 GLY H H 131 9.375 9.375 8.329 1.046 17780 11756 1 19 . 1 1 43 43 SER N N 132 113.692 113.692 117.543 -3.851 17780 11757 1 19 . 1 1 43 43 SER HA H 132 4.429 4.429 4.285 0.144 17780 11758 1 19 . 1 1 43 43 SER CA C 132 58.191 58.191 59.742 -1.551 17780 11759 1 19 . 1 1 43 43 SER CB C 132 63.938 63.938 63.776 0.162 17780 11760 1 19 . 1 1 43 43 SER H H 132 8.345 8.345 8.457 -0.112 17780 11761 1 19 . 1 1 44 44 ALA N N 133 125.505 125.505 122.962 2.543 17780 11762 1 19 . 1 1 44 44 ALA HA H 133 4.437 4.437 4.588 -0.151 17780 11763 1 19 . 1 1 44 44 ALA CA C 133 52.936 52.936 52.479 0.457 17780 11764 1 19 . 1 1 44 44 ALA CB C 133 18.412 18.412 18.816 -0.404 17780 11765 1 19 . 1 1 44 44 ALA H H 133 8.735 8.735 7.964 0.771 17780 11766 1 19 . 1 1 45 45 MET N N 134 120.707 120.707 119.303 1.404 17780 11767 1 19 . 1 1 45 45 MET HA H 134 4.756 4.756 4.788 -0.032 17780 11768 1 19 . 1 1 45 45 MET CA C 134 54.242 54.242 55.443 -1.201 17780 11769 1 19 . 1 1 45 45 MET CB C 134 36.727 36.727 33.024 3.703 17780 11770 1 19 . 1 1 45 45 MET H H 134 8.686 8.686 8.935 -0.249 17780 11771 1 19 . 1 1 46 46 SER N N 135 116.235 116.235 115.522 0.713 17780 11772 1 19 . 1 1 46 46 SER HA H 135 4.375 4.375 4.083 0.292 17780 11773 1 19 . 1 1 46 46 SER CA C 135 58.410 58.410 59.937 -1.526 17780 11774 1 19 . 1 1 46 46 SER CB C 135 63.016 63.016 63.448 -0.432 17780 11775 1 19 . 1 1 46 46 SER H H 135 8.397 8.397 7.884 0.513 17780 11776 1 19 . 1 1 47 47 ARG N N 136 126.632 126.632 121.496 5.136 17780 11777 1 19 . 1 1 47 47 ARG HA H 136 4.406 4.406 4.846 -0.440 17780 11778 1 19 . 1 1 47 47 ARG CA C 136 54.783 54.783 53.688 1.095 17780 11779 1 19 . 1 1 47 47 ARG CB C 136 29.040 29.040 31.984 -2.944 17780 11780 1 19 . 1 1 47 47 ARG H H 136 8.668 8.668 8.556 0.112 17780 11781 1 19 . 1 1 48 48 PRO HA H 137 4.422 4.422 4.634 -0.212 17780 11782 1 19 . 1 1 48 48 PRO CA C 137 62.327 62.327 62.361 -0.034 17780 11783 1 19 . 1 1 48 48 PRO CB C 137 32.269 32.269 32.649 -0.380 17780 11784 1 19 . 1 1 49 49 ILE N N 138 122.521 122.521 119.377 3.144 17780 11785 1 19 . 1 1 49 49 ILE HA H 138 4.148 4.148 4.191 -0.043 17780 11786 1 19 . 1 1 49 49 ILE CA C 138 60.916 60.916 60.551 0.365 17780 11787 1 19 . 1 1 49 49 ILE CB C 138 36.234 36.234 39.240 -3.006 17780 11788 1 19 . 1 1 49 49 ILE H H 138 8.603 8.603 8.100 0.503 17780 11789 1 19 . 1 1 50 50 ILE N N 139 126.683 126.683 125.890 0.793 17780 11790 1 19 . 1 1 50 50 ILE HA H 139 3.927 3.927 3.768 0.159 17780 11791 1 19 . 1 1 50 50 ILE CA C 139 58.700 58.700 58.572 0.128 17780 11792 1 19 . 1 1 50 50 ILE CB C 139 39.345 39.345 40.937 -1.592 17780 11793 1 19 . 1 1 50 50 ILE H H 139 6.514 6.514 8.011 -1.497 17780 11794 1 19 . 1 1 51 51 HIS N N 140 121.997 121.997 121.965 0.032 17780 11795 1 19 . 1 1 51 51 HIS HA H 140 4.918 4.918 4.777 0.141 17780 11796 1 19 . 1 1 51 51 HIS CA C 140 54.065 54.065 54.422 -0.357 17780 11797 1 19 . 1 1 51 51 HIS CB C 140 29.466 29.466 27.883 1.583 17780 11798 1 19 . 1 1 51 51 HIS H H 140 8.203 8.203 7.307 0.896 17780 11799 1 19 . 1 1 52 52 PHE N N 141 124.334 124.334 125.008 -0.674 17780 11800 1 19 . 1 1 52 52 PHE HA H 141 4.348 4.348 4.495 -0.147 17780 11801 1 19 . 1 1 52 52 PHE CA C 141 59.251 59.251 59.227 0.024 17780 11802 1 19 . 1 1 52 52 PHE CB C 141 41.448 41.448 40.327 1.121 17780 11803 1 19 . 1 1 52 52 PHE H H 141 10.160 10.160 9.372 0.788 17780 11804 1 19 . 1 1 53 53 GLY N N 142 108.368 108.368 104.583 3.785 17780 11805 1 19 . 1 1 53 53 GLY CA C 142 45.516 45.516 46.061 -0.545 17780 11806 1 19 . 1 1 53 53 GLY H H 142 8.984 8.984 7.869 1.115 17780 11807 1 19 . 1 1 54 54 SER N N 143 111.819 111.819 114.509 -2.690 17780 11808 1 19 . 1 1 54 54 SER HA H 143 4.810 4.810 4.609 0.201 17780 11809 1 19 . 1 1 54 54 SER CA C 143 56.498 56.498 57.149 -0.651 17780 11810 1 19 . 1 1 54 54 SER CB C 143 65.964 65.964 64.602 1.362 17780 11811 1 19 . 1 1 54 54 SER H H 143 7.334 7.334 7.379 -0.045 17780 11812 1 19 . 1 1 55 55 ASP N N 144 124.249 124.249 122.870 1.379 17780 11813 1 19 . 1 1 55 55 ASP HA H 144 4.500 4.500 4.413 0.087 17780 11814 1 19 . 1 1 55 55 ASP CA C 144 57.493 57.493 57.797 -0.305 17780 11815 1 19 . 1 1 55 55 ASP CB C 144 40.664 40.664 40.693 -0.029 17780 11816 1 19 . 1 1 55 55 ASP H H 144 9.014 9.014 8.671 0.343 17780 11817 1 19 . 1 1 56 56 TYR N N 145 118.991 118.991 115.128 3.863 17780 11818 1 19 . 1 1 56 56 TYR HA H 145 4.196 4.196 4.473 -0.277 17780 11819 1 19 . 1 1 56 56 TYR CA C 145 61.351 61.351 59.988 1.363 17780 11820 1 19 . 1 1 56 56 TYR CB C 145 38.075 38.075 37.384 0.691 17780 11821 1 19 . 1 1 56 56 TYR H H 145 8.551 8.551 7.575 0.976 17780 11822 1 19 . 1 1 57 57 GLU N N 146 119.217 119.217 120.508 -1.291 17780 11823 1 19 . 1 1 57 57 GLU HA H 146 3.563 3.563 4.455 -0.892 17780 11824 1 19 . 1 1 57 57 GLU CA C 146 59.921 59.921 59.451 0.470 17780 11825 1 19 . 1 1 57 57 GLU CB C 146 30.297 30.297 29.599 0.698 17780 11826 1 19 . 1 1 57 57 GLU H H 146 7.741 7.741 7.559 0.182 17780 11827 1 19 . 1 1 58 58 ASP N N 147 119.565 119.565 119.553 0.012 17780 11828 1 19 . 1 1 58 58 ASP HA H 147 4.498 4.498 4.779 -0.281 17780 11829 1 19 . 1 1 58 58 ASP CA C 147 58.185 58.185 56.995 1.190 17780 11830 1 19 . 1 1 58 58 ASP CB C 147 40.598 40.598 40.649 -0.051 17780 11831 1 19 . 1 1 58 58 ASP H H 147 8.139 8.139 8.552 -0.413 17780 11832 1 19 . 1 1 59 59 ARG N N 148 120.296 120.296 119.132 1.164 17780 11833 1 19 . 1 1 59 59 ARG HA H 148 4.004 4.004 4.260 -0.256 17780 11834 1 19 . 1 1 59 59 ARG CA C 148 59.393 59.393 58.720 0.673 17780 11835 1 19 . 1 1 59 59 ARG CB C 148 29.910 29.910 29.956 -0.046 17780 11836 1 19 . 1 1 59 59 ARG H H 148 8.181 8.181 7.965 0.216 17780 11837 1 19 . 1 1 60 60 TYR N N 149 121.152 121.152 123.926 -2.774 17780 11838 1 19 . 1 1 60 60 TYR HA H 149 3.819 3.819 4.472 -0.653 17780 11839 1 19 . 1 1 60 60 TYR CA C 149 62.195 62.195 59.569 2.626 17780 11840 1 19 . 1 1 60 60 TYR CB C 149 37.808 37.808 38.035 -0.227 17780 11841 1 19 . 1 1 60 60 TYR H H 149 8.333 8.333 7.769 0.564 17780 11842 1 19 . 1 1 61 61 TYR N N 150 120.365 120.365 120.978 -0.613 17780 11843 1 19 . 1 1 61 61 TYR HA H 150 4.122 4.122 3.400 0.722 17780 11844 1 19 . 1 1 61 61 TYR CA C 150 62.969 62.969 60.722 2.247 17780 11845 1 19 . 1 1 61 61 TYR CB C 150 38.207 38.207 37.951 0.256 17780 11846 1 19 . 1 1 61 61 TYR H H 150 8.942 8.942 8.470 0.472 17780 11847 1 19 . 1 1 62 62 ARG N N 151 117.982 117.982 116.610 1.372 17780 11848 1 19 . 1 1 62 62 ARG HA H 151 3.938 3.938 3.446 0.492 17780 11849 1 19 . 1 1 62 62 ARG CA C 151 59.940 59.940 58.266 1.674 17780 11850 1 19 . 1 1 62 62 ARG CB C 151 29.731 29.731 29.714 0.017 17780 11851 1 19 . 1 1 62 62 ARG H H 151 7.938 7.938 7.473 0.465 17780 11852 1 19 . 1 1 63 63 GLU N N 152 116.389 116.389 118.694 -2.305 17780 11853 1 19 . 1 1 63 63 GLU HA H 152 4.059 4.059 4.122 -0.063 17780 11854 1 19 . 1 1 63 63 GLU CA C 152 57.990 57.990 58.997 -1.007 17780 11855 1 19 . 1 1 63 63 GLU CB C 152 29.915 29.915 29.751 0.164 17780 11856 1 19 . 1 1 63 63 GLU H H 152 8.068 8.068 7.815 0.253 17780 11857 1 19 . 1 1 64 64 ASN N N 153 114.690 114.690 116.410 -1.720 17780 11858 1 19 . 1 1 64 64 ASN HA H 153 4.406 4.406 4.370 0.036 17780 11859 1 19 . 1 1 64 64 ASN CA C 153 54.814 54.814 54.346 0.468 17780 11860 1 19 . 1 1 64 64 ASN CB C 153 41.178 41.178 38.049 3.129 17780 11861 1 19 . 1 1 64 64 ASN H H 153 7.525 7.525 7.349 0.176 17780 11862 1 19 . 1 1 65 65 MET N N 154 119.058 119.058 121.443 -2.385 17780 11863 1 19 . 1 1 65 65 MET HA H 154 3.417 3.417 3.320 0.097 17780 11864 1 19 . 1 1 65 65 MET CA C 154 59.193 59.193 58.214 0.979 17780 11865 1 19 . 1 1 65 65 MET CB C 154 30.258 30.258 31.616 -1.358 17780 11866 1 19 . 1 1 65 65 MET H H 154 7.993 7.993 7.411 0.582 17780 11867 1 19 . 1 1 66 66 HIS N N 155 116.083 116.083 116.125 -0.042 17780 11868 1 19 . 1 1 66 66 HIS HA H 155 4.208 4.208 4.274 -0.066 17780 11869 1 19 . 1 1 66 66 HIS CA C 155 57.382 57.382 59.142 -1.760 17780 11870 1 19 . 1 1 66 66 HIS CB C 155 28.955 28.955 29.516 -0.561 17780 11871 1 19 . 1 1 66 66 HIS H H 155 7.988 7.988 7.372 0.616 17780 11872 1 19 . 1 1 67 67 ARG N N 156 118.993 118.993 116.931 2.062 17780 11873 1 19 . 1 1 67 67 ARG HA H 156 4.133 4.133 4.423 -0.290 17780 11874 1 19 . 1 1 67 67 ARG CA C 156 56.135 56.135 56.404 -0.269 17780 11875 1 19 . 1 1 67 67 ARG CB C 156 30.521 30.521 30.564 -0.044 17780 11876 1 19 . 1 1 67 67 ARG H H 156 7.488 7.488 7.628 -0.140 17780 11877 1 19 . 1 1 68 68 TYR N N 157 121.321 121.321 120.292 1.029 17780 11878 1 19 . 1 1 68 68 TYR HA H 157 4.991 4.991 4.828 0.163 17780 11879 1 19 . 1 1 68 68 TYR CA C 157 52.644 52.644 53.945 -1.301 17780 11880 1 19 . 1 1 68 68 TYR CB C 157 34.873 34.873 37.970 -3.097 17780 11881 1 19 . 1 1 68 68 TYR H H 157 7.433 7.433 7.546 -0.113 17780 11882 1 19 . 1 1 69 69 PRO HA H 158 4.338 4.338 4.399 -0.061 17780 11883 1 19 . 1 1 69 69 PRO CA C 158 63.651 63.651 62.626 1.025 17780 11884 1 19 . 1 1 69 69 PRO CB C 158 32.005 32.005 33.285 -1.280 17780 11885 1 19 . 1 1 70 70 ASN N N 159 116.696 116.696 116.161 0.535 17780 11886 1 19 . 1 1 70 70 ASN HA H 159 4.690 4.690 4.659 0.031 17780 11887 1 19 . 1 1 70 70 ASN CA C 159 51.997 51.997 53.681 -1.684 17780 11888 1 19 . 1 1 70 70 ASN CB C 159 38.375 38.375 38.566 -0.192 17780 11889 1 19 . 1 1 70 70 ASN H H 159 8.673 8.673 8.514 0.159 17780 11890 1 19 . 1 1 71 71 GLN N N 160 114.313 114.313 115.477 -1.164 17780 11891 1 19 . 1 1 71 71 GLN HA H 160 4.523 4.523 4.554 -0.031 17780 11892 1 19 . 1 1 71 71 GLN CA C 160 54.286 54.286 54.758 -0.472 17780 11893 1 19 . 1 1 71 71 GLN CB C 160 32.975 32.975 32.172 0.803 17780 11894 1 19 . 1 1 71 71 GLN H H 160 7.319 7.319 7.612 -0.293 17780 11895 1 19 . 1 1 72 72 VAL N N 161 112.569 112.569 115.583 -3.014 17780 11896 1 19 . 1 1 72 72 VAL HA H 161 4.927 4.927 4.533 0.394 17780 11897 1 19 . 1 1 72 72 VAL CA C 161 58.651 58.651 59.897 -1.246 17780 11898 1 19 . 1 1 72 72 VAL CB C 161 33.812 33.812 34.257 -0.445 17780 11899 1 19 . 1 1 72 72 VAL H H 161 8.477 8.477 8.245 0.232 17780 11900 1 19 . 1 1 73 73 TYR N N 162 121.525 121.525 124.781 -3.256 17780 11901 1 19 . 1 1 73 73 TYR HA H 162 5.507 5.507 5.383 0.124 17780 11902 1 19 . 1 1 73 73 TYR CA C 162 57.133 57.133 56.032 1.101 17780 11903 1 19 . 1 1 73 73 TYR CB C 162 41.970 41.970 41.385 0.585 17780 11904 1 19 . 1 1 73 73 TYR H H 162 8.490 8.490 8.599 -0.109 17780 11905 1 19 . 1 1 74 74 TYR N N 163 111.081 111.081 119.232 -8.151 17780 11906 1 19 . 1 1 74 74 TYR HA H 163 4.758 4.758 5.121 -0.363 17780 11907 1 19 . 1 1 74 74 TYR CA C 163 55.367 55.367 57.056 -1.688 17780 11908 1 19 . 1 1 74 74 TYR CB C 163 40.401 40.401 39.687 0.714 17780 11909 1 19 . 1 1 74 74 TYR H H 163 8.593 8.593 8.776 -0.183 17780 11910 1 19 . 1 1 76 76 PRO HA H 165 4.490 4.490 4.583 -0.093 17780 11911 1 19 . 1 1 76 76 PRO CA C 165 62.967 62.967 62.751 0.216 17780 11912 1 19 . 1 1 76 76 PRO CB C 165 32.372 32.372 32.546 -0.174 17780 11913 1 19 . 1 1 77 77 MET N N 166 121.408 121.408 116.624 4.784 17780 11914 1 19 . 1 1 77 77 MET HA H 166 4.438 4.438 4.007 0.431 17780 11915 1 19 . 1 1 77 77 MET CA C 166 57.081 57.081 55.287 1.794 17780 11916 1 19 . 1 1 77 77 MET CB C 166 32.165 32.165 30.521 1.643 17780 11917 1 19 . 1 1 77 77 MET H H 166 9.013 9.013 8.475 0.538 17780 11918 1 19 . 1 1 78 78 ASP N N 167 119.933 119.933 119.405 0.528 17780 11919 1 19 . 1 1 78 78 ASP HA H 167 4.754 4.754 4.498 0.256 17780 11920 1 19 . 1 1 78 78 ASP CA C 167 52.485 52.485 56.355 -3.870 17780 11921 1 19 . 1 1 78 78 ASP CB C 167 38.802 38.802 41.397 -2.595 17780 11922 1 19 . 1 1 78 78 ASP H H 167 8.176 8.176 8.585 -0.409 17780 11923 1 19 . 1 1 79 79 GLU N N 168 116.934 116.934 112.729 4.205 17780 11924 1 19 . 1 1 79 79 GLU HA H 168 4.308 4.308 4.222 0.086 17780 11925 1 19 . 1 1 79 79 GLU CA C 168 58.638 58.638 56.638 2.000 17780 11926 1 19 . 1 1 79 79 GLU CB C 168 29.185 29.185 30.070 -0.885 17780 11927 1 19 . 1 1 79 79 GLU H H 168 8.332 8.332 8.031 0.301 17780 11928 1 19 . 1 1 81 81 SER N N 170 116.603 116.603 116.717 -0.114 17780 11929 1 19 . 1 1 81 81 SER HA H 170 4.374 4.374 4.052 0.322 17780 11930 1 19 . 1 1 81 81 SER CA C 170 58.475 58.475 58.209 0.265 17780 11931 1 19 . 1 1 81 81 SER CB C 170 63.677 63.677 63.455 0.222 17780 11932 1 19 . 1 1 81 81 SER H H 170 8.560 8.560 6.996 1.564 17780 11933 1 19 . 1 1 83 83 GLN N N 172 120.404 120.404 118.232 2.172 17780 11934 1 19 . 1 1 83 83 GLN HA H 172 4.750 4.750 4.250 0.500 17780 11935 1 19 . 1 1 83 83 GLN CA C 172 59.899 59.899 56.173 3.725 17780 11936 1 19 . 1 1 83 83 GLN CB C 172 29.023 29.023 29.304 -0.281 17780 11937 1 19 . 1 1 83 83 GLN H H 172 8.635 8.635 8.485 0.150 17780 11938 1 19 . 1 1 84 84 ASN N N 173 116.470 116.470 119.173 -2.703 17780 11939 1 19 . 1 1 84 84 ASN HA H 173 4.237 4.237 4.156 0.081 17780 11940 1 19 . 1 1 84 84 ASN CA C 173 56.470 56.470 55.859 0.611 17780 11941 1 19 . 1 1 84 84 ASN CB C 173 37.812 37.812 38.302 -0.490 17780 11942 1 19 . 1 1 84 84 ASN H H 173 8.352 8.352 9.028 -0.676 17780 11943 1 19 . 1 1 85 85 ASN N N 174 118.500 118.500 117.737 0.763 17780 11944 1 19 . 1 1 85 85 ASN HA H 174 4.534 4.534 4.305 0.229 17780 11945 1 19 . 1 1 85 85 ASN CA C 174 55.905 55.905 55.638 0.267 17780 11946 1 19 . 1 1 85 85 ASN CB C 174 37.760 37.760 37.904 -0.144 17780 11947 1 19 . 1 1 85 85 ASN H H 174 8.602 8.602 8.295 0.307 17780 11948 1 19 . 1 1 86 86 PHE CB C 175 39.641 39.641 38.598 1.043 17780 11949 1 19 . 1 1 87 87 VAL N N 176 120.134 120.134 120.059 0.075 17780 11950 1 19 . 1 1 87 87 VAL HA H 176 3.564 3.564 2.663 0.901 17780 11951 1 19 . 1 1 87 87 VAL CA C 176 67.737 67.737 65.384 2.353 17780 11952 1 19 . 1 1 87 87 VAL CB C 176 31.951 31.951 30.095 1.856 17780 11953 1 19 . 1 1 87 87 VAL H H 176 9.002 9.002 7.271 1.731 17780 11954 1 19 . 1 1 88 88 HIS N N 177 117.217 117.217 118.957 -1.740 17780 11955 1 19 . 1 1 88 88 HIS HA H 177 4.304 4.304 4.095 0.209 17780 11956 1 19 . 1 1 88 88 HIS CA C 177 59.781 59.781 59.002 0.779 17780 11957 1 19 . 1 1 88 88 HIS CB C 177 28.264 28.264 29.780 -1.516 17780 11958 1 19 . 1 1 88 88 HIS H H 177 8.330 8.330 7.755 0.575 17780 11959 1 19 . 1 1 89 89 ASP N N 178 118.497 118.497 119.301 -0.804 17780 11960 1 19 . 1 1 89 89 ASP HA H 178 4.500 4.500 4.551 -0.051 17780 11961 1 19 . 1 1 89 89 ASP CA C 178 57.423 57.423 56.715 0.708 17780 11962 1 19 . 1 1 89 89 ASP CB C 178 41.792 41.792 41.052 0.740 17780 11963 1 19 . 1 1 89 89 ASP H H 178 7.696 7.696 7.867 -0.171 17780 11964 1 19 . 1 1 90 90 CYS N N 179 119.012 119.012 120.265 -1.253 17780 11965 1 19 . 1 1 90 90 CYS HA H 179 4.753 4.753 4.254 0.499 17780 11966 1 19 . 1 1 90 90 CYS CA C 179 58.466 58.466 62.107 -3.641 17780 11967 1 19 . 1 1 90 90 CYS CB C 179 40.758 40.758 25.871 14.887 17780 11968 1 19 . 1 1 90 90 CYS H H 179 8.037 8.037 7.463 0.574 17780 11969 1 19 . 1 1 91 91 VAL N N 180 125.063 125.063 120.364 4.699 17780 11970 1 19 . 1 1 91 91 VAL HA H 180 3.667 3.667 3.586 0.081 17780 11971 1 19 . 1 1 91 91 VAL CA C 180 66.293 66.293 66.430 -0.137 17780 11972 1 19 . 1 1 91 91 VAL CB C 180 32.028 32.028 31.774 0.254 17780 11973 1 19 . 1 1 91 91 VAL H H 180 9.212 9.212 8.567 0.645 17780 11974 1 19 . 1 1 92 92 ASN N N 181 116.153 116.153 119.091 -2.938 17780 11975 1 19 . 1 1 92 92 ASN HA H 181 4.311 4.311 4.391 -0.080 17780 11976 1 19 . 1 1 92 92 ASN CA C 181 56.622 56.622 56.369 0.253 17780 11977 1 19 . 1 1 92 92 ASN CB C 181 38.749 38.749 38.033 0.716 17780 11978 1 19 . 1 1 92 92 ASN H H 181 7.626 7.626 7.552 0.074 17780 11979 1 19 . 1 1 93 93 ILE N N 182 118.637 118.637 119.727 -1.090 17780 11980 1 19 . 1 1 93 93 ILE HA H 182 3.787 3.787 3.726 0.061 17780 11981 1 19 . 1 1 93 93 ILE CA C 182 62.078 62.078 63.964 -1.886 17780 11982 1 19 . 1 1 93 93 ILE CB C 182 36.535 36.535 36.409 0.126 17780 11983 1 19 . 1 1 93 93 ILE H H 182 8.610 8.610 8.634 -0.024 17780 11984 1 19 . 1 1 94 94 THR N N 183 118.229 118.229 117.751 0.478 17780 11985 1 19 . 1 1 94 94 THR HA H 183 4.097 4.097 4.060 0.037 17780 11986 1 19 . 1 1 94 94 THR CA C 183 68.834 68.834 67.315 1.519 17780 11987 1 19 . 1 1 94 94 THR CB C 183 68.258 68.258 68.781 -0.523 17780 11988 1 19 . 1 1 94 94 THR H H 183 8.140 8.140 7.876 0.264 17780 11989 1 19 . 1 1 95 95 ILE N N 184 120.906 120.906 121.468 -0.562 17780 11990 1 19 . 1 1 95 95 ILE HA H 184 3.666 3.666 3.915 -0.249 17780 11991 1 19 . 1 1 95 95 ILE CA C 184 66.259 66.259 62.983 3.276 17780 11992 1 19 . 1 1 95 95 ILE CB C 184 36.824 36.824 37.859 -1.035 17780 11993 1 19 . 1 1 95 95 ILE H H 184 8.450 8.450 7.901 0.549 17780 11994 1 19 . 1 1 96 96 LYS N N 185 123.208 123.208 121.446 1.762 17780 11995 1 19 . 1 1 96 96 LYS HA H 185 4.067 4.067 3.846 0.221 17780 11996 1 19 . 1 1 96 96 LYS CA C 185 59.987 59.987 60.263 -0.276 17780 11997 1 19 . 1 1 96 96 LYS CB C 185 32.119 32.119 32.163 -0.044 17780 11998 1 19 . 1 1 96 96 LYS H H 185 8.067 8.067 8.486 -0.419 17780 11999 1 19 . 1 1 97 97 GLN N N 186 116.879 116.879 118.441 -1.562 17780 12000 1 19 . 1 1 97 97 GLN HA H 186 4.059 4.059 4.023 0.036 17780 12001 1 19 . 1 1 97 97 GLN CA C 186 58.010 58.010 59.015 -1.005 17780 12002 1 19 . 1 1 97 97 GLN CB C 186 27.982 27.982 28.357 -0.375 17780 12003 1 19 . 1 1 97 97 GLN H H 186 8.493 8.493 8.504 -0.011 17780 12004 1 19 . 1 1 98 98 HIS N N 187 119.676 119.676 121.023 -1.347 17780 12005 1 19 . 1 1 98 98 HIS HA H 187 4.579 4.579 4.423 0.156 17780 12006 1 19 . 1 1 98 98 HIS CA C 187 59.465 59.465 59.485 -0.020 17780 12007 1 19 . 1 1 98 98 HIS CB C 187 31.628 31.628 29.709 1.919 17780 12008 1 19 . 1 1 98 98 HIS H H 187 8.435 8.435 7.845 0.590 17780 12009 1 19 . 1 1 99 99 THR N N 188 114.500 114.500 115.982 -1.482 17780 12010 1 19 . 1 1 99 99 THR HA H 188 4.090 4.090 3.822 0.268 17780 12011 1 19 . 1 1 99 99 THR CA C 188 66.210 66.210 65.772 0.438 17780 12012 1 19 . 1 1 99 99 THR CB C 188 68.800 68.800 68.457 0.343 17780 12013 1 19 . 1 1 99 99 THR H H 188 8.440 8.440 8.345 0.095 17780 12014 1 19 . 1 1 100 100 VAL N N 189 122.934 122.934 121.249 1.685 17780 12015 1 19 . 1 1 100 100 VAL HA H 189 3.838 3.838 3.761 0.077 17780 12016 1 19 . 1 1 100 100 VAL CA C 189 65.832 65.832 65.385 0.447 17780 12017 1 19 . 1 1 100 100 VAL CB C 189 31.897 31.897 31.710 0.187 17780 12018 1 19 . 1 1 100 100 VAL H H 189 8.057 8.057 7.854 0.203 17780 12019 1 19 . 1 1 101 101 THR N N 190 115.101 115.101 113.457 1.644 17780 12020 1 19 . 1 1 101 101 THR HA H 190 4.140 4.140 4.042 0.098 17780 12021 1 19 . 1 1 101 101 THR CA C 190 64.907 64.907 66.382 -1.475 17780 12022 1 19 . 1 1 101 101 THR CB C 190 69.041 69.041 68.112 0.929 17780 12023 1 19 . 1 1 101 101 THR H H 190 8.131 8.131 7.933 0.198 17780 12024 1 19 . 1 1 102 102 THR N N 191 114.546 114.546 119.346 -4.800 17780 12025 1 19 . 1 1 102 102 THR HA H 191 4.092 4.092 3.926 0.166 17780 12026 1 19 . 1 1 102 102 THR CA C 191 64.801 64.801 67.489 -2.688 17780 12027 1 19 . 1 1 102 102 THR CB C 191 69.145 69.145 68.213 0.932 17780 12028 1 19 . 1 1 102 102 THR H H 191 8.011 8.011 7.839 0.172 17780 12029 1 19 . 1 1 103 103 THR N N 192 117.876 117.876 114.061 3.815 17780 12030 1 19 . 1 1 103 103 THR HA H 192 4.373 4.373 4.641 -0.268 17780 12031 1 19 . 1 1 103 103 THR CA C 192 64.935 64.935 64.991 -0.056 17780 12032 1 19 . 1 1 103 103 THR CB C 192 69.043 69.043 68.515 0.528 17780 12033 1 19 . 1 1 103 103 THR H H 192 8.224 8.224 7.606 0.618 17780 12034 1 19 . 1 1 104 104 THR N N 193 116.232 116.232 118.166 -1.934 17780 12035 1 19 . 1 1 104 104 THR HA H 193 4.204 4.204 4.081 0.123 17780 12036 1 19 . 1 1 104 104 THR CA C 193 64.311 64.311 65.661 -1.350 17780 12037 1 19 . 1 1 104 104 THR CB C 193 68.981 68.981 68.667 0.314 17780 12038 1 19 . 1 1 104 104 THR H H 193 7.805 7.805 7.721 0.084 17780 12039 1 19 . 1 1 105 105 LYS N N 194 119.843 119.843 118.418 1.425 17780 12040 1 19 . 1 1 105 105 LYS HA H 194 4.384 4.384 4.390 -0.006 17780 12041 1 19 . 1 1 105 105 LYS CA C 194 56.220 56.220 55.425 0.795 17780 12042 1 19 . 1 1 105 105 LYS CB C 194 32.527 32.527 32.521 0.006 17780 12043 1 19 . 1 1 105 105 LYS H H 194 7.504 7.504 7.675 -0.171 17780 12044 1 19 . 1 1 106 106 GLY N N 195 107.946 107.946 107.884 0.062 17780 12045 1 19 . 1 1 106 106 GLY CA C 195 45.431 45.431 45.207 0.224 17780 12046 1 19 . 1 1 106 106 GLY H H 195 7.924 7.924 7.671 0.253 17780 12047 1 19 . 1 1 107 107 GLU N N 196 120.063 120.063 119.913 0.150 17780 12048 1 19 . 1 1 107 107 GLU HA H 196 4.255 4.255 4.679 -0.424 17780 12049 1 19 . 1 1 107 107 GLU CA C 196 55.597 55.597 54.670 0.926 17780 12050 1 19 . 1 1 107 107 GLU CB C 196 31.073 31.073 32.941 -1.868 17780 12051 1 19 . 1 1 107 107 GLU H H 196 7.465 7.465 8.311 -0.846 17780 12052 1 19 . 1 1 108 108 ASN N N 197 119.350 119.350 119.842 -0.492 17780 12053 1 19 . 1 1 108 108 ASN HA H 197 4.657 4.657 5.078 -0.421 17780 12054 1 19 . 1 1 108 108 ASN CA C 197 52.673 52.673 53.291 -0.618 17780 12055 1 19 . 1 1 108 108 ASN CB C 197 40.827 40.827 40.399 0.428 17780 12056 1 19 . 1 1 108 108 ASN H H 197 8.458 8.458 8.505 -0.047 17780 12057 1 19 . 1 1 109 109 PHE N N 198 121.688 121.688 121.878 -0.190 17780 12058 1 19 . 1 1 109 109 PHE HA H 198 5.317 5.317 4.924 0.393 17780 12059 1 19 . 1 1 109 109 PHE CA C 198 56.571 56.571 56.228 0.343 17780 12060 1 19 . 1 1 109 109 PHE CB C 198 40.093 40.093 42.552 -2.459 17780 12061 1 19 . 1 1 109 109 PHE H H 198 8.709 8.709 8.747 -0.038 17780 12062 1 19 . 1 1 110 110 THR N N 199 115.904 115.904 114.374 1.530 17780 12063 1 19 . 1 1 110 110 THR HA H 199 4.624 4.624 4.510 0.114 17780 12064 1 19 . 1 1 110 110 THR CA C 199 60.343 60.343 61.351 -1.008 17780 12065 1 19 . 1 1 110 110 THR CB C 199 72.033 72.033 70.166 1.867 17780 12066 1 19 . 1 1 110 110 THR H H 199 9.547 9.547 8.217 1.330 17780 12067 1 19 . 1 1 111 111 GLU N N 200 119.988 119.988 120.717 -0.729 17780 12068 1 19 . 1 1 111 111 GLU HA H 200 4.067 4.067 4.055 0.012 17780 12069 1 19 . 1 1 111 111 GLU CA C 200 60.027 60.027 59.762 0.265 17780 12070 1 19 . 1 1 111 111 GLU CB C 200 28.976 28.976 28.652 0.324 17780 12071 1 19 . 1 1 111 111 GLU H H 200 9.132 9.132 9.077 0.055 17780 12072 1 19 . 1 1 112 112 THR N N 201 116.221 116.221 116.320 -0.099 17780 12073 1 19 . 1 1 112 112 THR HA H 201 3.796 3.796 4.132 -0.336 17780 12074 1 19 . 1 1 112 112 THR CA C 201 66.781 66.781 66.866 -0.085 17780 12075 1 19 . 1 1 112 112 THR CB C 201 68.581 68.581 68.312 0.269 17780 12076 1 19 . 1 1 112 112 THR H H 201 7.934 7.934 8.150 -0.216 17780 12077 1 19 . 1 1 113 113 ASP N N 202 120.001 120.001 122.844 -2.843 17780 12078 1 19 . 1 1 113 113 ASP HA H 202 4.598 4.598 4.702 -0.104 17780 12079 1 19 . 1 1 113 113 ASP CA C 202 57.984 57.984 57.733 0.251 17780 12080 1 19 . 1 1 113 113 ASP CB C 202 41.756 41.756 40.835 0.921 17780 12081 1 19 . 1 1 113 113 ASP H H 202 7.503 7.503 8.129 -0.626 17780 12082 1 19 . 1 1 114 114 VAL N N 203 119.529 119.529 119.402 0.127 17780 12083 1 19 . 1 1 114 114 VAL HA H 203 3.279 3.279 3.591 -0.311 17780 12084 1 19 . 1 1 114 114 VAL CA C 203 67.817 67.817 66.216 1.601 17780 12085 1 19 . 1 1 114 114 VAL CB C 203 31.528 31.528 31.359 0.169 17780 12086 1 19 . 1 1 114 114 VAL H H 203 8.209 8.209 7.774 0.435 17780 12087 1 19 . 1 1 115 115 LYS N N 204 119.051 119.051 120.615 -1.564 17780 12088 1 19 . 1 1 115 115 LYS HA H 204 4.082 4.082 4.257 -0.175 17780 12089 1 19 . 1 1 115 115 LYS CA C 204 59.268 59.268 59.416 -0.148 17780 12090 1 19 . 1 1 115 115 LYS CB C 204 31.979 31.979 32.746 -0.767 17780 12091 1 19 . 1 1 115 115 LYS H H 204 7.714 7.714 8.229 -0.515 17780 12092 1 19 . 1 1 116 116 MET N N 205 118.581 118.581 116.693 1.888 17780 12093 1 19 . 1 1 116 116 MET HA H 205 4.167 4.167 4.457 -0.290 17780 12094 1 19 . 1 1 116 116 MET CA C 205 59.984 59.984 58.621 1.363 17780 12095 1 19 . 1 1 116 116 MET CB C 205 32.933 32.933 32.993 -0.060 17780 12096 1 19 . 1 1 116 116 MET H H 205 8.182 8.182 8.353 -0.171 17780 12097 1 19 . 1 1 117 117 MET N N 206 118.259 118.259 118.251 0.008 17780 12098 1 19 . 1 1 117 117 MET HA H 206 3.561 3.561 4.043 -0.482 17780 12099 1 19 . 1 1 117 117 MET CA C 206 59.967 59.967 58.464 1.503 17780 12100 1 19 . 1 1 117 117 MET CB C 206 33.824 33.824 31.517 2.307 17780 12101 1 19 . 1 1 117 117 MET H H 206 8.691 8.691 7.884 0.807 17780 12102 1 19 . 1 1 118 118 GLU N N 207 118.878 118.878 120.051 -1.173 17780 12103 1 19 . 1 1 118 118 GLU HA H 207 3.658 3.658 3.905 -0.247 17780 12104 1 19 . 1 1 118 118 GLU CA C 207 60.702 60.702 59.307 1.395 17780 12105 1 19 . 1 1 118 118 GLU CB C 207 29.000 29.000 29.420 -0.420 17780 12106 1 19 . 1 1 118 118 GLU H H 207 8.544 8.544 7.962 0.582 17780 12107 1 19 . 1 1 119 119 ARG N N 208 116.694 116.694 117.659 -0.965 17780 12108 1 19 . 1 1 119 119 ARG HA H 208 4.228 4.228 4.071 0.157 17780 12109 1 19 . 1 1 119 119 ARG CA C 208 58.554 58.554 58.929 -0.375 17780 12110 1 19 . 1 1 119 119 ARG CB C 208 30.136 30.136 29.952 0.184 17780 12111 1 19 . 1 1 119 119 ARG H H 208 7.289 7.289 7.731 -0.442 17780 12112 1 19 . 1 1 120 120 VAL N N 209 119.035 119.035 116.354 2.681 17780 12113 1 19 . 1 1 120 120 VAL HA H 209 3.837 3.837 4.089 -0.252 17780 12114 1 19 . 1 1 120 120 VAL CA C 209 65.766 65.766 65.403 0.363 17780 12115 1 19 . 1 1 120 120 VAL CB C 209 32.213 32.213 31.666 0.547 17780 12116 1 19 . 1 1 120 120 VAL H H 209 8.279 8.279 7.399 0.880 17780 12117 1 19 . 1 1 121 121 VAL N N 210 121.668 121.668 116.454 5.214 17780 12118 1 19 . 1 1 121 121 VAL HA H 210 3.597 3.597 4.010 -0.413 17780 12119 1 19 . 1 1 121 121 VAL CA C 210 66.639 66.639 64.870 1.769 17780 12120 1 19 . 1 1 121 121 VAL CB C 210 31.097 31.097 30.296 0.801 17780 12121 1 19 . 1 1 121 121 VAL H H 210 9.183 9.183 7.554 1.629 17780 12122 1 19 . 1 1 122 122 GLU N N 211 120.770 120.770 120.222 0.548 17780 12123 1 19 . 1 1 122 122 GLU HA H 211 3.603 3.603 3.867 -0.264 17780 12124 1 19 . 1 1 122 122 GLU CA C 211 61.132 61.132 60.122 1.010 17780 12125 1 19 . 1 1 122 122 GLU CB C 211 29.153 29.153 28.973 0.180 17780 12126 1 19 . 1 1 122 122 GLU H H 211 8.041 8.041 7.675 0.366 17780 12127 1 19 . 1 1 123 123 GLN N N 212 114.580 114.580 117.557 -2.977 17780 12128 1 19 . 1 1 123 123 GLN HA H 212 3.662 3.662 4.120 -0.458 17780 12129 1 19 . 1 1 123 123 GLN CA C 212 58.509 58.509 58.081 0.428 17780 12130 1 19 . 1 1 123 123 GLN CB C 212 27.824 27.824 27.969 -0.145 17780 12131 1 19 . 1 1 123 123 GLN H H 212 7.096 7.096 7.816 -0.720 17780 12132 1 19 . 1 1 124 124 MET N N 213 119.748 119.748 119.931 -0.183 17780 12133 1 19 . 1 1 124 124 MET HA H 213 4.167 4.167 4.238 -0.071 17780 12134 1 19 . 1 1 124 124 MET CA C 213 59.928 59.928 59.599 0.329 17780 12135 1 19 . 1 1 124 124 MET CB C 213 34.529 34.529 32.566 1.963 17780 12136 1 19 . 1 1 124 124 MET H H 213 8.145 8.145 7.769 0.376 17780 12137 1 19 . 1 1 125 125 CYS N N 214 119.538 119.538 119.817 -0.279 17780 12138 1 19 . 1 1 125 125 CYS HA H 214 4.427 4.427 4.192 0.235 17780 12139 1 19 . 1 1 125 125 CYS CA C 214 59.838 59.838 62.254 -2.416 17780 12140 1 19 . 1 1 125 125 CYS CB C 214 41.798 41.798 25.625 16.172 17780 12141 1 19 . 1 1 125 125 CYS H H 214 9.275 9.275 7.959 1.316 17780 12142 1 19 . 1 1 126 126 ILE N N 215 123.982 123.982 121.213 2.769 17780 12143 1 19 . 1 1 126 126 ILE HA H 215 3.579 3.579 3.839 -0.260 17780 12144 1 19 . 1 1 126 126 ILE CA C 215 66.649 66.649 65.723 0.926 17780 12145 1 19 . 1 1 126 126 ILE CB C 215 38.152 38.152 37.927 0.225 17780 12146 1 19 . 1 1 126 126 ILE H H 215 8.434 8.434 7.772 0.662 17780 12147 1 19 . 1 1 127 127 THR N N 216 118.728 118.728 116.621 2.107 17780 12148 1 19 . 1 1 127 127 THR HA H 216 3.835 3.835 3.978 -0.143 17780 12149 1 19 . 1 1 127 127 THR CA C 216 67.425 67.425 67.177 0.248 17780 12150 1 19 . 1 1 127 127 THR CB C 216 68.035 68.035 68.336 -0.301 17780 12151 1 19 . 1 1 127 127 THR H H 216 8.097 8.097 8.022 0.075 17780 12152 1 19 . 1 1 128 128 GLN N N 217 122.368 122.368 120.948 1.420 17780 12153 1 19 . 1 1 128 128 GLN HA H 217 3.662 3.662 4.155 -0.493 17780 12154 1 19 . 1 1 128 128 GLN CA C 217 58.462 58.462 58.587 -0.125 17780 12155 1 19 . 1 1 128 128 GLN CB C 217 28.075 28.075 28.430 -0.355 17780 12156 1 19 . 1 1 128 128 GLN H H 217 8.637 8.637 7.787 0.850 17780 12157 1 19 . 1 1 129 129 TYR N N 218 121.512 121.512 122.611 -1.099 17780 12158 1 19 . 1 1 129 129 TYR HA H 218 2.929 2.929 4.011 -1.082 17780 12159 1 19 . 1 1 129 129 TYR CA C 218 61.904 61.904 61.936 -0.032 17780 12160 1 19 . 1 1 129 129 TYR CB C 218 37.075 37.075 38.398 -1.323 17780 12161 1 19 . 1 1 129 129 TYR H H 218 8.705 8.705 9.038 -0.333 17780 12162 1 19 . 1 1 130 130 LYS N N 219 120.801 120.801 118.123 2.678 17780 12163 1 19 . 1 1 130 130 LYS HA H 219 3.667 3.667 3.747 -0.080 17780 12164 1 19 . 1 1 130 130 LYS CA C 219 60.001 60.001 58.042 1.959 17780 12165 1 19 . 1 1 130 130 LYS CB C 219 31.732 31.732 31.611 0.121 17780 12166 1 19 . 1 1 130 130 LYS H H 219 8.232 8.232 8.435 -0.203 17780 12167 1 19 . 1 1 131 131 ARG HA H 220 3.978 3.978 3.958 0.020 17780 12168 1 19 . 1 1 131 131 ARG CA C 220 59.013 59.013 59.086 -0.073 17780 12169 1 19 . 1 1 131 131 ARG CB C 220 30.028 30.028 30.096 -0.068 17780 12170 1 19 . 1 1 132 132 GLU N N 221 119.690 119.690 117.716 1.974 17780 12171 1 19 . 1 1 132 132 GLU HA H 221 4.035 4.035 4.150 -0.115 17780 12172 1 19 . 1 1 132 132 GLU CA C 221 58.006 58.006 58.182 -0.176 17780 12173 1 19 . 1 1 132 132 GLU CB C 221 29.270 29.270 29.039 0.231 17780 12174 1 19 . 1 1 132 132 GLU H H 221 8.521 8.521 8.311 0.210 17780 12175 1 19 . 1 1 133 133 SER N N 222 115.963 115.963 115.539 0.424 17780 12176 1 19 . 1 1 133 133 SER HA H 222 3.884 3.884 3.873 0.011 17780 12177 1 19 . 1 1 133 133 SER CA C 222 61.500 61.500 61.387 0.113 17780 12178 1 19 . 1 1 133 133 SER CB C 222 62.207 62.207 61.775 0.432 17780 12179 1 19 . 1 1 133 133 SER H H 222 8.543 8.543 8.089 0.454 17780 12180 1 19 . 1 1 134 134 GLN N N 223 120.695 120.695 120.268 0.427 17780 12181 1 19 . 1 1 134 134 GLN HA H 223 4.152 4.152 3.703 0.449 17780 12182 1 19 . 1 1 134 134 GLN CA C 223 58.646 58.646 58.226 0.420 17780 12183 1 19 . 1 1 134 134 GLN CB C 223 28.299 28.299 28.125 0.174 17780 12184 1 19 . 1 1 134 134 GLN H H 223 7.486 7.486 7.484 0.002 17780 12185 1 19 . 1 1 135 135 ALA N N 224 120.905 120.905 121.039 -0.134 17780 12186 1 19 . 1 1 135 135 ALA HA H 224 4.169 4.169 4.123 0.046 17780 12187 1 19 . 1 1 135 135 ALA CA C 224 54.404 54.404 54.272 0.132 17780 12188 1 19 . 1 1 135 135 ALA CB C 224 18.233 18.233 18.414 -0.181 17780 12189 1 19 . 1 1 135 135 ALA H H 224 7.497 7.497 7.394 0.103 17780 12190 1 19 . 1 1 136 136 TYR N N 225 119.969 119.969 121.367 -1.398 17780 12191 1 19 . 1 1 136 136 TYR HA H 225 4.080 4.080 4.054 0.026 17780 12192 1 19 . 1 1 136 136 TYR CA C 225 61.060 61.060 61.071 -0.011 17780 12193 1 19 . 1 1 136 136 TYR CB C 225 39.008 39.008 38.522 0.486 17780 12194 1 19 . 1 1 136 136 TYR H H 225 8.215 8.215 7.648 0.567 17780 12195 1 19 . 1 1 137 137 TYR N N 226 117.988 117.988 117.160 0.828 17780 12196 1 19 . 1 1 137 137 TYR HA H 226 4.319 4.319 3.964 0.355 17780 12197 1 19 . 1 1 137 137 TYR CA C 226 59.543 59.543 58.623 0.920 17780 12198 1 19 . 1 1 137 137 TYR CB C 226 37.769 37.769 36.618 1.151 17780 12199 1 19 . 1 1 137 137 TYR H H 226 8.022 8.022 8.431 -0.409 17780 12200 1 19 . 1 1 138 138 GLN N N 227 118.911 118.911 118.967 -0.056 17780 12201 1 19 . 1 1 138 138 GLN HA H 227 4.189 4.189 4.019 0.170 17780 12202 1 19 . 1 1 138 138 GLN CA C 227 57.002 57.002 58.314 -1.312 17780 12203 1 19 . 1 1 138 138 GLN CB C 227 28.740 28.740 27.781 0.959 17780 12204 1 19 . 1 1 138 138 GLN H H 227 7.838 7.838 7.726 0.112 17780 12205 1 19 . 1 1 139 139 ARG N N 228 119.910 119.910 119.140 0.770 17780 12206 1 19 . 1 1 139 139 ARG HA H 228 4.207 4.207 4.097 0.110 17780 12207 1 19 . 1 1 139 139 ARG CA C 228 57.338 57.338 57.860 -0.522 17780 12208 1 19 . 1 1 139 139 ARG CB C 228 30.390 30.390 29.943 0.447 17780 12209 1 19 . 1 1 139 139 ARG H H 228 7.862 7.862 7.726 0.136 17780 12210 1 19 . 1 1 140 140 GLY N N 229 108.627 108.627 104.574 4.053 17780 12211 1 19 . 1 1 140 140 GLY CA C 229 45.477 45.477 45.027 0.450 17780 12212 1 19 . 1 1 140 140 GLY H H 229 8.092 8.092 7.768 0.324 17780 12213 1 19 . 1 1 141 141 SER N N 230 115.141 115.141 115.521 -0.380 17780 12214 1 19 . 1 1 141 141 SER HA H 230 4.330 4.330 4.557 -0.227 17780 12215 1 19 . 1 1 141 141 SER CA C 230 58.650 58.650 58.044 0.606 17780 12216 1 19 . 1 1 141 141 SER CB C 230 63.641 63.641 63.952 -0.311 17780 12217 1 19 . 1 1 141 141 SER H H 230 8.050 8.050 7.934 0.116 17780 12218 1 20 . 1 1 2 2 GLN N N 91 119.729 119.729 118.080 1.649 17780 12219 1 20 . 1 1 2 2 GLN HA H 91 4.407 4.407 5.184 -0.777 17780 12220 1 20 . 1 1 2 2 GLN CA C 91 55.969 55.969 55.500 0.469 17780 12221 1 20 . 1 1 2 2 GLN CB C 91 29.576 29.576 30.435 -0.859 17780 12222 1 20 . 1 1 2 2 GLN H H 91 8.267 8.267 10.400 -2.133 17780 12223 1 20 . 1 1 3 3 GLY N N 92 110.081 110.081 107.349 2.732 17780 12224 1 20 . 1 1 3 3 GLY CA C 92 45.115 45.115 45.237 -0.122 17780 12225 1 20 . 1 1 3 3 GLY H H 92 8.515 8.515 8.649 -0.135 17780 12226 1 20 . 1 1 4 4 GLY N N 93 108.748 108.748 107.086 1.662 17780 12227 1 20 . 1 1 4 4 GLY CA C 93 45.228 45.228 44.802 0.426 17780 12228 1 20 . 1 1 4 4 GLY H H 93 8.331 8.331 8.261 0.070 17780 12229 1 20 . 1 1 5 5 GLY N N 94 108.857 108.857 106.940 1.917 17780 12230 1 20 . 1 1 5 5 GLY CA C 94 45.172 45.172 45.129 0.043 17780 12231 1 20 . 1 1 5 5 GLY H H 94 8.362 8.362 8.202 0.160 17780 12232 1 20 . 1 1 6 6 THR N N 95 113.538 113.538 116.227 -2.689 17780 12233 1 20 . 1 1 6 6 THR HA H 95 4.282 4.282 3.932 0.350 17780 12234 1 20 . 1 1 6 6 THR CA C 95 61.906 61.906 62.053 -0.147 17780 12235 1 20 . 1 1 6 6 THR CB C 95 69.711 69.711 68.458 1.253 17780 12236 1 20 . 1 1 6 6 THR H H 95 8.129 8.129 7.968 0.161 17780 12237 1 20 . 1 1 7 7 HIS N N 96 121.027 121.027 121.170 -0.143 17780 12238 1 20 . 1 1 7 7 HIS HA H 96 4.713 4.713 4.683 0.030 17780 12239 1 20 . 1 1 7 7 HIS CA C 96 55.169 55.169 55.664 -0.495 17780 12240 1 20 . 1 1 7 7 HIS CB C 96 29.575 29.575 28.733 0.843 17780 12241 1 20 . 1 1 7 7 HIS H H 96 8.497 8.497 8.172 0.325 17780 12242 1 20 . 1 1 8 8 SER N N 97 117.031 117.031 119.216 -2.185 17780 12243 1 20 . 1 1 8 8 SER HA H 97 4.405 4.405 4.815 -0.410 17780 12244 1 20 . 1 1 8 8 SER CA C 97 58.379 58.379 57.830 0.549 17780 12245 1 20 . 1 1 8 8 SER CB C 97 63.535 63.535 65.591 -2.057 17780 12246 1 20 . 1 1 8 8 SER H H 97 8.275 8.275 8.310 -0.035 17780 12247 1 20 . 1 1 9 9 GLN N N 98 122.084 122.084 120.415 1.669 17780 12248 1 20 . 1 1 9 9 GLN HA H 98 4.279 4.279 4.856 -0.577 17780 12249 1 20 . 1 1 9 9 GLN CA C 98 55.970 55.970 55.441 0.530 17780 12250 1 20 . 1 1 9 9 GLN CB C 98 29.157 29.157 30.267 -1.110 17780 12251 1 20 . 1 1 9 9 GLN H H 98 8.462 8.462 8.325 0.137 17780 12252 1 20 . 1 1 10 10 TRP N N 99 121.630 121.630 122.529 -0.899 17780 12253 1 20 . 1 1 10 10 TRP HA H 99 4.676 4.676 5.343 -0.667 17780 12254 1 20 . 1 1 10 10 TRP CA C 99 57.046 57.046 57.274 -0.228 17780 12255 1 20 . 1 1 10 10 TRP CB C 99 29.440 29.440 31.442 -2.002 17780 12256 1 20 . 1 1 10 10 TRP H H 99 8.086 8.086 9.034 -0.948 17780 12257 1 20 . 1 1 11 11 ASN N N 100 120.591 120.591 120.139 0.452 17780 12258 1 20 . 1 1 11 11 ASN HA H 100 4.602 4.602 4.181 0.421 17780 12259 1 20 . 1 1 11 11 ASN CA C 100 52.675 52.675 51.337 1.337 17780 12260 1 20 . 1 1 11 11 ASN CB C 100 38.781 38.781 40.361 -1.580 17780 12261 1 20 . 1 1 11 11 ASN H H 100 8.095 8.095 7.433 0.662 17780 12262 1 20 . 1 1 12 12 LYS N N 101 122.656 122.656 120.627 2.029 17780 12263 1 20 . 1 1 12 12 LYS HA H 101 4.435 4.435 4.056 0.379 17780 12264 1 20 . 1 1 12 12 LYS CA C 101 54.139 54.139 54.543 -0.404 17780 12265 1 20 . 1 1 12 12 LYS CB C 101 32.474 32.474 32.305 0.169 17780 12266 1 20 . 1 1 12 12 LYS H H 101 7.985 7.985 7.970 0.015 17780 12267 1 20 . 1 1 13 13 PRO HA H 102 4.425 4.425 4.278 0.147 17780 12268 1 20 . 1 1 13 13 PRO CA C 102 63.065 63.065 63.548 -0.483 17780 12269 1 20 . 1 1 13 13 PRO CB C 102 32.056 32.056 32.110 -0.054 17780 12270 1 20 . 1 1 14 14 SER N N 103 116.881 116.881 113.782 3.099 17780 12271 1 20 . 1 1 14 14 SER HA H 103 4.430 4.430 4.169 0.261 17780 12272 1 20 . 1 1 14 14 SER CA C 103 57.973 57.973 58.404 -0.431 17780 12273 1 20 . 1 1 14 14 SER CB C 103 63.669 63.669 62.303 1.366 17780 12274 1 20 . 1 1 14 14 SER H H 103 8.420 8.420 8.077 0.343 17780 12275 1 20 . 1 1 15 15 LYS N N 104 124.163 124.163 121.369 2.794 17780 12276 1 20 . 1 1 15 15 LYS HA H 104 4.620 4.620 4.207 0.413 17780 12277 1 20 . 1 1 15 15 LYS CA C 104 54.160 54.160 55.530 -1.370 17780 12278 1 20 . 1 1 15 15 LYS CB C 104 32.606 32.606 32.414 0.192 17780 12279 1 20 . 1 1 15 15 LYS H H 104 8.321 8.321 7.875 0.446 17780 12280 1 20 . 1 1 16 16 PRO HA H 105 4.412 4.412 4.466 -0.054 17780 12281 1 20 . 1 1 16 16 PRO CA C 105 63.012 63.012 62.806 0.206 17780 12282 1 20 . 1 1 16 16 PRO CB C 105 32.152 32.152 32.361 -0.209 17780 12283 1 20 . 1 1 17 17 LYS N N 106 122.072 122.072 119.053 3.019 17780 12284 1 20 . 1 1 17 17 LYS HA H 106 4.338 4.338 4.837 -0.499 17780 12285 1 20 . 1 1 17 17 LYS CA C 106 56.299 56.299 55.359 0.940 17780 12286 1 20 . 1 1 17 17 LYS CB C 106 32.928 32.928 34.660 -1.732 17780 12287 1 20 . 1 1 17 17 LYS H H 106 8.516 8.516 8.583 -0.067 17780 12288 1 20 . 1 1 18 18 THR N N 107 115.252 115.252 113.012 2.240 17780 12289 1 20 . 1 1 18 18 THR HA H 107 4.323 4.323 4.748 -0.425 17780 12290 1 20 . 1 1 18 18 THR CA C 107 61.523 61.523 61.075 0.447 17780 12291 1 20 . 1 1 18 18 THR CB C 107 69.778 69.778 70.465 -0.687 17780 12292 1 20 . 1 1 18 18 THR H H 107 8.133 8.133 8.402 -0.269 17780 12293 1 20 . 1 1 19 19 ASN N N 108 121.344 121.344 122.138 -0.794 17780 12294 1 20 . 1 1 19 19 ASN HA H 108 4.712 4.712 4.866 -0.154 17780 12295 1 20 . 1 1 19 19 ASN CA C 108 53.019 53.019 53.758 -0.739 17780 12296 1 20 . 1 1 19 19 ASN CB C 108 38.728 38.728 39.718 -0.990 17780 12297 1 20 . 1 1 19 19 ASN H H 108 8.537 8.537 8.579 -0.042 17780 12298 1 20 . 1 1 20 20 MET N N 109 121.309 121.309 121.029 0.280 17780 12299 1 20 . 1 1 20 20 MET HA H 109 4.437 4.437 4.612 -0.175 17780 12300 1 20 . 1 1 20 20 MET CA C 109 55.446 55.446 55.269 0.177 17780 12301 1 20 . 1 1 20 20 MET CB C 109 32.809 32.809 34.523 -1.714 17780 12302 1 20 . 1 1 20 20 MET H H 109 8.346 8.346 8.101 0.245 17780 12303 1 20 . 1 1 21 21 LYS N N 110 122.292 122.292 124.526 -2.234 17780 12304 1 20 . 1 1 21 21 LYS HA H 110 4.237 4.237 4.476 -0.239 17780 12305 1 20 . 1 1 21 21 LYS CA C 110 56.394 56.394 56.822 -0.428 17780 12306 1 20 . 1 1 21 21 LYS CB C 110 32.923 32.923 33.810 -0.887 17780 12307 1 20 . 1 1 21 21 LYS H H 110 8.300 8.300 8.379 -0.079 17780 12308 1 20 . 1 1 22 22 HIS N N 111 120.193 120.193 122.779 -2.586 17780 12309 1 20 . 1 1 22 22 HIS HA H 111 4.642 4.642 4.762 -0.120 17780 12310 1 20 . 1 1 22 22 HIS CA C 111 55.391 55.391 55.770 -0.379 17780 12311 1 20 . 1 1 22 22 HIS CB C 111 29.501 29.501 30.440 -0.939 17780 12312 1 20 . 1 1 22 22 HIS H H 111 8.406 8.406 8.524 -0.118 17780 12313 1 20 . 1 1 23 23 MET N N 112 122.529 122.529 123.294 -0.765 17780 12314 1 20 . 1 1 23 23 MET HA H 112 4.464 4.464 4.735 -0.271 17780 12315 1 20 . 1 1 23 23 MET CA C 112 55.125 55.125 55.593 -0.468 17780 12316 1 20 . 1 1 23 23 MET CB C 112 32.930 32.930 33.889 -0.959 17780 12317 1 20 . 1 1 23 23 MET H H 112 8.326 8.326 8.675 -0.349 17780 12318 1 20 . 1 1 24 24 ALA N N 113 125.642 125.642 126.073 -0.431 17780 12319 1 20 . 1 1 24 24 ALA HA H 113 4.315 4.315 4.831 -0.516 17780 12320 1 20 . 1 1 24 24 ALA CA C 113 52.521 52.521 51.860 0.661 17780 12321 1 20 . 1 1 24 24 ALA CB C 113 19.181 19.181 20.118 -0.937 17780 12322 1 20 . 1 1 24 24 ALA H H 113 8.370 8.370 8.529 -0.159 17780 12323 1 20 . 1 1 25 25 GLY N N 114 108.473 108.473 107.397 1.076 17780 12324 1 20 . 1 1 25 25 GLY CA C 114 45.175 45.175 45.187 -0.012 17780 12325 1 20 . 1 1 25 25 GLY H H 114 8.373 8.373 10.579 -2.205 17780 12326 1 20 . 1 1 26 26 ALA N N 115 123.872 123.872 123.492 0.380 17780 12327 1 20 . 1 1 26 26 ALA HA H 115 4.316 4.316 4.460 -0.144 17780 12328 1 20 . 1 1 26 26 ALA CA C 115 52.496 52.496 52.490 0.006 17780 12329 1 20 . 1 1 26 26 ALA CB C 115 19.181 19.181 19.992 -0.811 17780 12330 1 20 . 1 1 26 26 ALA H H 115 8.134 8.134 8.257 -0.123 17780 12331 1 20 . 1 1 27 27 ALA N N 116 123.172 123.172 123.594 -0.422 17780 12332 1 20 . 1 1 27 27 ALA HA H 116 4.287 4.287 4.532 -0.245 17780 12333 1 20 . 1 1 27 27 ALA CA C 116 52.464 52.464 52.567 -0.103 17780 12334 1 20 . 1 1 27 27 ALA CB C 116 19.180 19.180 18.046 1.134 17780 12335 1 20 . 1 1 27 27 ALA H H 116 8.268 8.268 8.719 -0.451 17780 12336 1 20 . 1 1 28 28 ALA N N 117 123.253 123.253 121.918 1.335 17780 12337 1 20 . 1 1 28 28 ALA HA H 117 4.277 4.277 4.817 -0.540 17780 12338 1 20 . 1 1 28 28 ALA CA C 117 52.383 52.383 51.657 0.726 17780 12339 1 20 . 1 1 28 28 ALA CB C 117 19.156 19.156 20.480 -1.324 17780 12340 1 20 . 1 1 28 28 ALA H H 117 8.169 8.169 7.607 0.562 17780 12341 1 20 . 1 1 29 29 ALA N N 118 123.225 123.225 123.592 -0.367 17780 12342 1 20 . 1 1 29 29 ALA HA H 118 4.282 4.282 4.590 -0.308 17780 12343 1 20 . 1 1 29 29 ALA CA C 118 52.469 52.469 51.781 0.688 17780 12344 1 20 . 1 1 29 29 ALA CB C 118 19.129 19.129 20.157 -1.028 17780 12345 1 20 . 1 1 29 29 ALA H H 118 8.204 8.204 8.359 -0.155 17780 12346 1 20 . 1 1 30 30 GLY N N 119 107.906 107.906 112.098 -4.192 17780 12347 1 20 . 1 1 30 30 GLY CA C 119 45.089 45.089 45.699 -0.610 17780 12348 1 20 . 1 1 30 30 GLY H H 119 8.271 8.271 8.645 -0.374 17780 12349 1 20 . 1 1 31 31 ALA N N 120 123.540 123.540 124.488 -0.948 17780 12350 1 20 . 1 1 31 31 ALA HA H 120 4.339 4.339 4.402 -0.063 17780 12351 1 20 . 1 1 31 31 ALA CA C 120 52.282 52.282 52.197 0.085 17780 12352 1 20 . 1 1 31 31 ALA CB C 120 19.432 19.432 19.677 -0.245 17780 12353 1 20 . 1 1 31 31 ALA H H 120 8.039 8.039 7.749 0.290 17780 12354 1 20 . 1 1 32 32 VAL N N 121 119.579 119.579 113.342 6.237 17780 12355 1 20 . 1 1 32 32 VAL HA H 121 4.117 4.117 3.783 0.334 17780 12356 1 20 . 1 1 32 32 VAL CA C 121 62.142 62.142 63.150 -1.008 17780 12357 1 20 . 1 1 32 32 VAL CB C 121 32.673 32.673 29.357 3.316 17780 12358 1 20 . 1 1 32 32 VAL H H 121 8.109 8.109 8.690 -0.581 17780 12359 1 20 . 1 1 33 33 VAL N N 122 124.655 124.655 121.322 3.333 17780 12360 1 20 . 1 1 33 33 VAL HA H 122 4.081 4.081 3.930 0.151 17780 12361 1 20 . 1 1 33 33 VAL CA C 122 62.430 62.430 63.869 -1.439 17780 12362 1 20 . 1 1 33 33 VAL CB C 122 32.675 32.675 32.263 0.412 17780 12363 1 20 . 1 1 33 33 VAL H H 122 8.262 8.262 7.334 0.928 17780 12364 1 20 . 1 1 34 34 GLY N N 123 113.165 113.165 113.445 -0.280 17780 12365 1 20 . 1 1 34 34 GLY CA C 123 45.264 45.264 44.943 0.321 17780 12366 1 20 . 1 1 34 34 GLY H H 123 8.528 8.528 8.922 -0.394 17780 12367 1 20 . 1 1 35 35 GLY N N 124 108.440 108.440 107.569 0.871 17780 12368 1 20 . 1 1 35 35 GLY CA C 124 45.264 45.264 44.983 0.281 17780 12369 1 20 . 1 1 35 35 GLY H H 124 8.245 8.245 8.197 0.048 17780 12370 1 20 . 1 1 36 36 LEU N N 125 121.679 121.679 121.766 -0.087 17780 12371 1 20 . 1 1 36 36 LEU HA H 125 4.340 4.340 4.166 0.174 17780 12372 1 20 . 1 1 36 36 LEU CA C 125 54.808 54.808 56.080 -1.272 17780 12373 1 20 . 1 1 36 36 LEU CB C 125 42.417 42.417 41.792 0.625 17780 12374 1 20 . 1 1 36 36 LEU H H 125 8.233 8.233 7.839 0.394 17780 12375 1 20 . 1 1 37 37 GLY N N 126 109.818 109.818 107.273 2.545 17780 12376 1 20 . 1 1 37 37 GLY CA C 126 46.266 46.266 46.131 0.135 17780 12377 1 20 . 1 1 37 37 GLY H H 126 8.511 8.511 8.573 -0.062 17780 12378 1 20 . 1 1 38 38 GLY N N 127 109.485 109.485 108.727 0.758 17780 12379 1 20 . 1 1 38 38 GLY CA C 127 45.029 45.029 44.985 0.044 17780 12380 1 20 . 1 1 38 38 GLY H H 127 8.374 8.374 7.905 0.469 17780 12381 1 20 . 1 1 39 39 TYR N N 128 117.683 117.683 120.308 -2.625 17780 12382 1 20 . 1 1 39 39 TYR HA H 128 4.501 4.501 4.635 -0.134 17780 12383 1 20 . 1 1 39 39 TYR CA C 128 58.050 58.050 56.659 1.391 17780 12384 1 20 . 1 1 39 39 TYR CB C 128 40.362 40.362 41.006 -0.644 17780 12385 1 20 . 1 1 39 39 TYR H H 128 7.746 7.746 8.026 -0.280 17780 12386 1 20 . 1 1 40 40 MET N N 129 120.902 120.902 116.576 4.326 17780 12387 1 20 . 1 1 40 40 MET HA H 129 4.534 4.534 4.686 -0.152 17780 12388 1 20 . 1 1 40 40 MET CA C 129 53.516 53.516 53.363 0.153 17780 12389 1 20 . 1 1 40 40 MET CB C 129 34.851 34.851 36.652 -1.801 17780 12390 1 20 . 1 1 40 40 MET H H 129 9.005 9.005 8.609 0.396 17780 12391 1 20 . 1 1 41 41 LEU N N 130 121.514 121.514 114.728 6.786 17780 12392 1 20 . 1 1 41 41 LEU HA H 130 4.464 4.464 5.202 -0.738 17780 12393 1 20 . 1 1 41 41 LEU CA C 130 53.359 53.359 52.661 0.698 17780 12394 1 20 . 1 1 41 41 LEU CB C 130 43.482 43.482 44.095 -0.613 17780 12395 1 20 . 1 1 41 41 LEU H H 130 8.034 8.034 8.194 -0.160 17780 12396 1 20 . 1 1 42 42 GLY N N 131 114.895 114.895 108.007 6.888 17780 12397 1 20 . 1 1 42 42 GLY CA C 131 44.698 44.698 44.863 -0.165 17780 12398 1 20 . 1 1 42 42 GLY H H 131 9.375 9.375 8.604 0.771 17780 12399 1 20 . 1 1 43 43 SER N N 132 113.692 113.692 117.332 -3.640 17780 12400 1 20 . 1 1 43 43 SER HA H 132 4.429 4.429 4.383 0.046 17780 12401 1 20 . 1 1 43 43 SER CA C 132 58.191 58.191 58.959 -0.768 17780 12402 1 20 . 1 1 43 43 SER CB C 132 63.938 63.938 63.445 0.493 17780 12403 1 20 . 1 1 43 43 SER H H 132 8.345 8.345 8.257 0.088 17780 12404 1 20 . 1 1 44 44 ALA N N 133 125.505 125.505 124.198 1.307 17780 12405 1 20 . 1 1 44 44 ALA HA H 133 4.437 4.437 4.569 -0.132 17780 12406 1 20 . 1 1 44 44 ALA CA C 133 52.936 52.936 51.959 0.977 17780 12407 1 20 . 1 1 44 44 ALA CB C 133 18.412 18.412 20.087 -1.675 17780 12408 1 20 . 1 1 44 44 ALA H H 133 8.735 8.735 8.164 0.571 17780 12409 1 20 . 1 1 45 45 MET N N 134 120.707 120.707 122.203 -1.496 17780 12410 1 20 . 1 1 45 45 MET HA H 134 4.756 4.756 4.966 -0.210 17780 12411 1 20 . 1 1 45 45 MET CA C 134 54.242 54.242 54.427 -0.185 17780 12412 1 20 . 1 1 45 45 MET CB C 134 36.727 36.727 35.711 1.016 17780 12413 1 20 . 1 1 45 45 MET H H 134 8.686 8.686 8.535 0.151 17780 12414 1 20 . 1 1 46 46 SER N N 135 116.235 116.235 115.998 0.237 17780 12415 1 20 . 1 1 46 46 SER HA H 135 4.375 4.375 4.399 -0.024 17780 12416 1 20 . 1 1 46 46 SER CA C 135 58.410 58.410 58.438 -0.028 17780 12417 1 20 . 1 1 46 46 SER CB C 135 63.016 63.016 63.747 -0.731 17780 12418 1 20 . 1 1 46 46 SER H H 135 8.397 8.397 8.316 0.081 17780 12419 1 20 . 1 1 47 47 ARG N N 136 126.632 126.632 123.740 2.892 17780 12420 1 20 . 1 1 47 47 ARG HA H 136 4.406 4.406 4.669 -0.263 17780 12421 1 20 . 1 1 47 47 ARG CA C 136 54.783 54.783 54.036 0.747 17780 12422 1 20 . 1 1 47 47 ARG CB C 136 29.040 29.040 29.829 -0.789 17780 12423 1 20 . 1 1 47 47 ARG H H 136 8.668 8.668 8.664 0.004 17780 12424 1 20 . 1 1 48 48 PRO HA H 137 4.422 4.422 4.530 -0.108 17780 12425 1 20 . 1 1 48 48 PRO CA C 137 62.327 62.327 62.686 -0.359 17780 12426 1 20 . 1 1 48 48 PRO CB C 137 32.269 32.269 32.602 -0.334 17780 12427 1 20 . 1 1 49 49 ILE N N 138 122.521 122.521 121.750 0.771 17780 12428 1 20 . 1 1 49 49 ILE HA H 138 4.148 4.148 4.028 0.120 17780 12429 1 20 . 1 1 49 49 ILE CA C 138 60.916 60.916 61.050 -0.134 17780 12430 1 20 . 1 1 49 49 ILE CB C 138 36.234 36.234 38.660 -2.426 17780 12431 1 20 . 1 1 49 49 ILE H H 138 8.603 8.603 8.340 0.263 17780 12432 1 20 . 1 1 50 50 ILE N N 139 126.683 126.683 127.240 -0.557 17780 12433 1 20 . 1 1 50 50 ILE HA H 139 3.927 3.927 3.828 0.099 17780 12434 1 20 . 1 1 50 50 ILE CA C 139 58.700 58.700 58.226 0.474 17780 12435 1 20 . 1 1 50 50 ILE CB C 139 39.345 39.345 41.054 -1.709 17780 12436 1 20 . 1 1 50 50 ILE H H 139 6.514 6.514 7.674 -1.160 17780 12437 1 20 . 1 1 51 51 HIS N N 140 121.997 121.997 119.882 2.115 17780 12438 1 20 . 1 1 51 51 HIS HA H 140 4.918 4.918 4.789 0.129 17780 12439 1 20 . 1 1 51 51 HIS CA C 140 54.065 54.065 54.382 -0.317 17780 12440 1 20 . 1 1 51 51 HIS CB C 140 29.466 29.466 27.943 1.523 17780 12441 1 20 . 1 1 51 51 HIS H H 140 8.203 8.203 7.390 0.813 17780 12442 1 20 . 1 1 52 52 PHE N N 141 124.334 124.334 123.838 0.496 17780 12443 1 20 . 1 1 52 52 PHE HA H 141 4.348 4.348 4.555 -0.207 17780 12444 1 20 . 1 1 52 52 PHE CA C 141 59.251 59.251 58.779 0.472 17780 12445 1 20 . 1 1 52 52 PHE CB C 141 41.448 41.448 40.164 1.284 17780 12446 1 20 . 1 1 52 52 PHE H H 141 10.160 10.160 9.182 0.978 17780 12447 1 20 . 1 1 53 53 GLY N N 142 108.368 108.368 106.294 2.074 17780 12448 1 20 . 1 1 53 53 GLY CA C 142 45.516 45.516 45.830 -0.314 17780 12449 1 20 . 1 1 53 53 GLY H H 142 8.984 8.984 7.738 1.246 17780 12450 1 20 . 1 1 54 54 SER N N 143 111.819 111.819 115.781 -3.962 17780 12451 1 20 . 1 1 54 54 SER HA H 143 4.810 4.810 4.669 0.141 17780 12452 1 20 . 1 1 54 54 SER CA C 143 56.498 56.498 56.113 0.385 17780 12453 1 20 . 1 1 54 54 SER CB C 143 65.964 65.964 65.015 0.949 17780 12454 1 20 . 1 1 54 54 SER H H 143 7.334 7.334 7.561 -0.227 17780 12455 1 20 . 1 1 55 55 ASP N N 144 124.249 124.249 122.625 1.624 17780 12456 1 20 . 1 1 55 55 ASP HA H 144 4.500 4.500 4.433 0.067 17780 12457 1 20 . 1 1 55 55 ASP CA C 144 57.493 57.493 56.947 0.546 17780 12458 1 20 . 1 1 55 55 ASP CB C 144 40.664 40.664 40.573 0.091 17780 12459 1 20 . 1 1 55 55 ASP H H 144 9.014 9.014 8.816 0.198 17780 12460 1 20 . 1 1 56 56 TYR N N 145 118.991 118.991 115.178 3.813 17780 12461 1 20 . 1 1 56 56 TYR HA H 145 4.196 4.196 4.549 -0.353 17780 12462 1 20 . 1 1 56 56 TYR CA C 145 61.351 61.351 59.544 1.807 17780 12463 1 20 . 1 1 56 56 TYR CB C 145 38.075 38.075 37.426 0.649 17780 12464 1 20 . 1 1 56 56 TYR H H 145 8.551 8.551 7.455 1.096 17780 12465 1 20 . 1 1 57 57 GLU N N 146 119.217 119.217 120.746 -1.529 17780 12466 1 20 . 1 1 57 57 GLU HA H 146 3.563 3.563 4.528 -0.965 17780 12467 1 20 . 1 1 57 57 GLU CA C 146 59.921 59.921 59.409 0.512 17780 12468 1 20 . 1 1 57 57 GLU CB C 146 30.297 30.297 29.710 0.587 17780 12469 1 20 . 1 1 57 57 GLU H H 146 7.741 7.741 7.787 -0.046 17780 12470 1 20 . 1 1 58 58 ASP N N 147 119.565 119.565 119.704 -0.139 17780 12471 1 20 . 1 1 58 58 ASP HA H 147 4.498 4.498 4.799 -0.301 17780 12472 1 20 . 1 1 58 58 ASP CA C 147 58.185 58.185 57.249 0.936 17780 12473 1 20 . 1 1 58 58 ASP CB C 147 40.598 40.598 40.707 -0.109 17780 12474 1 20 . 1 1 58 58 ASP H H 147 8.139 8.139 8.389 -0.250 17780 12475 1 20 . 1 1 59 59 ARG N N 148 120.296 120.296 118.911 1.385 17780 12476 1 20 . 1 1 59 59 ARG HA H 148 4.004 4.004 4.280 -0.276 17780 12477 1 20 . 1 1 59 59 ARG CA C 148 59.393 59.393 58.663 0.731 17780 12478 1 20 . 1 1 59 59 ARG CB C 148 29.910 29.910 29.979 -0.069 17780 12479 1 20 . 1 1 59 59 ARG H H 148 8.181 8.181 7.791 0.390 17780 12480 1 20 . 1 1 60 60 TYR N N 149 121.152 121.152 122.527 -1.375 17780 12481 1 20 . 1 1 60 60 TYR HA H 149 3.819 3.819 4.244 -0.425 17780 12482 1 20 . 1 1 60 60 TYR CA C 149 62.195 62.195 59.903 2.292 17780 12483 1 20 . 1 1 60 60 TYR CB C 149 37.808 37.808 38.071 -0.263 17780 12484 1 20 . 1 1 60 60 TYR H H 149 8.333 8.333 7.637 0.696 17780 12485 1 20 . 1 1 61 61 TYR N N 150 120.365 120.365 120.670 -0.305 17780 12486 1 20 . 1 1 61 61 TYR HA H 150 4.122 4.122 3.485 0.637 17780 12487 1 20 . 1 1 61 61 TYR CA C 150 62.969 62.969 60.689 2.280 17780 12488 1 20 . 1 1 61 61 TYR CB C 150 38.207 38.207 37.890 0.317 17780 12489 1 20 . 1 1 61 61 TYR H H 150 8.942 8.942 8.296 0.646 17780 12490 1 20 . 1 1 62 62 ARG N N 151 117.982 117.982 116.575 1.407 17780 12491 1 20 . 1 1 62 62 ARG HA H 151 3.938 3.938 3.438 0.500 17780 12492 1 20 . 1 1 62 62 ARG CA C 151 59.940 59.940 58.332 1.608 17780 12493 1 20 . 1 1 62 62 ARG CB C 151 29.731 29.731 29.761 -0.030 17780 12494 1 20 . 1 1 62 62 ARG H H 151 7.938 7.938 7.455 0.483 17780 12495 1 20 . 1 1 63 63 GLU N N 152 116.389 116.389 118.735 -2.346 17780 12496 1 20 . 1 1 63 63 GLU HA H 152 4.059 4.059 4.001 0.058 17780 12497 1 20 . 1 1 63 63 GLU CA C 152 57.990 57.990 58.974 -0.984 17780 12498 1 20 . 1 1 63 63 GLU CB C 152 29.915 29.915 29.417 0.498 17780 12499 1 20 . 1 1 63 63 GLU H H 152 8.068 8.068 7.792 0.276 17780 12500 1 20 . 1 1 64 64 ASN N N 153 114.690 114.690 115.460 -0.770 17780 12501 1 20 . 1 1 64 64 ASN HA H 153 4.406 4.406 4.463 -0.057 17780 12502 1 20 . 1 1 64 64 ASN CA C 153 54.814 54.814 53.486 1.328 17780 12503 1 20 . 1 1 64 64 ASN CB C 153 41.178 41.178 37.925 3.253 17780 12504 1 20 . 1 1 64 64 ASN H H 153 7.525 7.525 7.537 -0.012 17780 12505 1 20 . 1 1 65 65 MET N N 154 119.058 119.058 122.073 -3.015 17780 12506 1 20 . 1 1 65 65 MET HA H 154 3.417 3.417 3.542 -0.125 17780 12507 1 20 . 1 1 65 65 MET CA C 154 59.193 59.193 58.742 0.451 17780 12508 1 20 . 1 1 65 65 MET CB C 154 30.258 30.258 31.882 -1.624 17780 12509 1 20 . 1 1 65 65 MET H H 154 7.993 7.993 7.203 0.790 17780 12510 1 20 . 1 1 66 66 HIS N N 155 116.083 116.083 117.001 -0.918 17780 12511 1 20 . 1 1 66 66 HIS HA H 155 4.208 4.208 4.332 -0.124 17780 12512 1 20 . 1 1 66 66 HIS CA C 155 57.382 57.382 58.694 -1.312 17780 12513 1 20 . 1 1 66 66 HIS CB C 155 28.955 28.955 29.653 -0.698 17780 12514 1 20 . 1 1 66 66 HIS H H 155 7.988 7.988 8.015 -0.027 17780 12515 1 20 . 1 1 67 67 ARG N N 156 118.993 118.993 117.167 1.826 17780 12516 1 20 . 1 1 67 67 ARG HA H 156 4.133 4.133 4.269 -0.136 17780 12517 1 20 . 1 1 67 67 ARG CA C 156 56.135 56.135 56.644 -0.509 17780 12518 1 20 . 1 1 67 67 ARG CB C 156 30.521 30.521 30.869 -0.348 17780 12519 1 20 . 1 1 67 67 ARG H H 156 7.488 7.488 7.448 0.040 17780 12520 1 20 . 1 1 68 68 TYR N N 157 121.321 121.321 118.155 3.166 17780 12521 1 20 . 1 1 68 68 TYR HA H 157 4.991 4.991 4.686 0.305 17780 12522 1 20 . 1 1 68 68 TYR CA C 157 52.644 52.644 53.721 -1.077 17780 12523 1 20 . 1 1 68 68 TYR CB C 157 34.873 34.873 37.608 -2.735 17780 12524 1 20 . 1 1 68 68 TYR H H 157 7.433 7.433 7.239 0.194 17780 12525 1 20 . 1 1 69 69 PRO HA H 158 4.338 4.338 4.467 -0.129 17780 12526 1 20 . 1 1 69 69 PRO CA C 158 63.651 63.651 62.759 0.892 17780 12527 1 20 . 1 1 69 69 PRO CB C 158 32.005 32.005 33.248 -1.244 17780 12528 1 20 . 1 1 70 70 ASN N N 159 116.696 116.696 116.944 -0.248 17780 12529 1 20 . 1 1 70 70 ASN HA H 159 4.690 4.690 4.623 0.067 17780 12530 1 20 . 1 1 70 70 ASN CA C 159 51.997 51.997 53.574 -1.577 17780 12531 1 20 . 1 1 70 70 ASN CB C 159 38.375 38.375 39.372 -0.997 17780 12532 1 20 . 1 1 70 70 ASN H H 159 8.673 8.673 8.636 0.037 17780 12533 1 20 . 1 1 71 71 GLN N N 160 114.313 114.313 117.449 -3.136 17780 12534 1 20 . 1 1 71 71 GLN HA H 160 4.523 4.523 4.637 -0.114 17780 12535 1 20 . 1 1 71 71 GLN CA C 160 54.286 54.286 54.365 -0.079 17780 12536 1 20 . 1 1 71 71 GLN CB C 160 32.975 32.975 32.586 0.389 17780 12537 1 20 . 1 1 71 71 GLN H H 160 7.319 7.319 7.648 -0.329 17780 12538 1 20 . 1 1 72 72 VAL N N 161 112.569 112.569 115.623 -3.054 17780 12539 1 20 . 1 1 72 72 VAL HA H 161 4.927 4.927 4.519 0.408 17780 12540 1 20 . 1 1 72 72 VAL CA C 161 58.651 58.651 59.839 -1.188 17780 12541 1 20 . 1 1 72 72 VAL CB C 161 33.812 33.812 34.096 -0.284 17780 12542 1 20 . 1 1 72 72 VAL H H 161 8.477 8.477 8.217 0.260 17780 12543 1 20 . 1 1 73 73 TYR N N 162 121.525 121.525 123.847 -2.322 17780 12544 1 20 . 1 1 73 73 TYR HA H 162 5.507 5.507 5.337 0.170 17780 12545 1 20 . 1 1 73 73 TYR CA C 162 57.133 57.133 55.789 1.344 17780 12546 1 20 . 1 1 73 73 TYR CB C 162 41.970 41.970 41.267 0.703 17780 12547 1 20 . 1 1 73 73 TYR H H 162 8.490 8.490 8.761 -0.271 17780 12548 1 20 . 1 1 74 74 TYR N N 163 111.081 111.081 120.136 -9.055 17780 12549 1 20 . 1 1 74 74 TYR HA H 163 4.758 4.758 5.220 -0.462 17780 12550 1 20 . 1 1 74 74 TYR CA C 163 55.367 55.367 56.719 -1.353 17780 12551 1 20 . 1 1 74 74 TYR CB C 163 40.401 40.401 40.520 -0.119 17780 12552 1 20 . 1 1 74 74 TYR H H 163 8.593 8.593 8.689 -0.096 17780 12553 1 20 . 1 1 76 76 PRO HA H 165 4.490 4.490 4.240 0.250 17780 12554 1 20 . 1 1 76 76 PRO CA C 165 62.967 62.967 65.246 -2.279 17780 12555 1 20 . 1 1 76 76 PRO CB C 165 32.372 32.372 31.311 1.061 17780 12556 1 20 . 1 1 77 77 MET N N 166 121.408 121.408 115.309 6.099 17780 12557 1 20 . 1 1 77 77 MET HA H 166 4.438 4.438 3.994 0.444 17780 12558 1 20 . 1 1 77 77 MET CA C 166 57.081 57.081 55.492 1.589 17780 12559 1 20 . 1 1 77 77 MET CB C 166 32.165 32.165 31.149 1.016 17780 12560 1 20 . 1 1 77 77 MET H H 166 9.013 9.013 7.996 1.017 17780 12561 1 20 . 1 1 78 78 ASP N N 167 119.933 119.933 118.629 1.304 17780 12562 1 20 . 1 1 78 78 ASP HA H 167 4.754 4.754 4.604 0.150 17780 12563 1 20 . 1 1 78 78 ASP CA C 167 52.485 52.485 54.865 -2.380 17780 12564 1 20 . 1 1 78 78 ASP CB C 167 38.802 38.802 42.226 -3.424 17780 12565 1 20 . 1 1 78 78 ASP H H 167 8.176 8.176 7.733 0.443 17780 12566 1 20 . 1 1 79 79 GLU N N 168 116.934 116.934 116.505 0.429 17780 12567 1 20 . 1 1 79 79 GLU HA H 168 4.308 4.308 4.563 -0.255 17780 12568 1 20 . 1 1 79 79 GLU CA C 168 58.638 58.638 54.081 4.557 17780 12569 1 20 . 1 1 79 79 GLU CB C 168 29.185 29.185 32.950 -3.765 17780 12570 1 20 . 1 1 79 79 GLU H H 168 8.332 8.332 7.174 1.158 17780 12571 1 20 . 1 1 81 81 SER N N 170 116.603 116.603 119.164 -2.561 17780 12572 1 20 . 1 1 81 81 SER HA H 170 4.374 4.374 4.366 0.008 17780 12573 1 20 . 1 1 81 81 SER CA C 170 58.475 58.475 58.528 -0.053 17780 12574 1 20 . 1 1 81 81 SER CB C 170 63.677 63.677 64.796 -1.119 17780 12575 1 20 . 1 1 81 81 SER H H 170 8.560 8.560 8.158 0.402 17780 12576 1 20 . 1 1 83 83 GLN N N 172 120.404 120.404 117.951 2.453 17780 12577 1 20 . 1 1 83 83 GLN HA H 172 4.750 4.750 4.628 0.122 17780 12578 1 20 . 1 1 83 83 GLN CA C 172 59.899 59.899 54.765 5.134 17780 12579 1 20 . 1 1 83 83 GLN CB C 172 29.023 29.023 31.913 -2.890 17780 12580 1 20 . 1 1 83 83 GLN H H 172 8.635 8.635 7.432 1.203 17780 12581 1 20 . 1 1 84 84 ASN N N 173 116.470 116.470 122.509 -6.039 17780 12582 1 20 . 1 1 84 84 ASN HA H 173 4.237 4.237 4.434 -0.197 17780 12583 1 20 . 1 1 84 84 ASN CA C 173 56.470 56.470 55.461 1.009 17780 12584 1 20 . 1 1 84 84 ASN CB C 173 37.812 37.812 38.225 -0.413 17780 12585 1 20 . 1 1 84 84 ASN H H 173 8.352 8.352 8.977 -0.625 17780 12586 1 20 . 1 1 85 85 ASN N N 174 118.500 118.500 119.505 -1.005 17780 12587 1 20 . 1 1 85 85 ASN HA H 174 4.534 4.534 4.487 0.047 17780 12588 1 20 . 1 1 85 85 ASN CA C 174 55.905 55.905 55.572 0.333 17780 12589 1 20 . 1 1 85 85 ASN CB C 174 37.760 37.760 38.157 -0.397 17780 12590 1 20 . 1 1 85 85 ASN H H 174 8.602 8.602 8.423 0.179 17780 12591 1 20 . 1 1 86 86 PHE CB C 175 39.641 39.641 38.503 1.138 17780 12592 1 20 . 1 1 87 87 VAL N N 176 120.134 120.134 120.672 -0.538 17780 12593 1 20 . 1 1 87 87 VAL HA H 176 3.564 3.564 2.599 0.965 17780 12594 1 20 . 1 1 87 87 VAL CA C 176 67.737 67.737 65.514 2.223 17780 12595 1 20 . 1 1 87 87 VAL CB C 176 31.951 31.951 30.887 1.064 17780 12596 1 20 . 1 1 87 87 VAL H H 176 9.002 9.002 7.366 1.636 17780 12597 1 20 . 1 1 88 88 HIS N N 177 117.217 117.217 118.474 -1.257 17780 12598 1 20 . 1 1 88 88 HIS HA H 177 4.304 4.304 4.101 0.203 17780 12599 1 20 . 1 1 88 88 HIS CA C 177 59.781 59.781 60.144 -0.363 17780 12600 1 20 . 1 1 88 88 HIS CB C 177 28.264 28.264 29.809 -1.545 17780 12601 1 20 . 1 1 88 88 HIS H H 177 8.330 8.330 7.861 0.469 17780 12602 1 20 . 1 1 89 89 ASP N N 178 118.497 118.497 119.616 -1.119 17780 12603 1 20 . 1 1 89 89 ASP HA H 178 4.500 4.500 4.515 -0.015 17780 12604 1 20 . 1 1 89 89 ASP CA C 178 57.423 57.423 56.810 0.613 17780 12605 1 20 . 1 1 89 89 ASP CB C 178 41.792 41.792 40.981 0.811 17780 12606 1 20 . 1 1 89 89 ASP H H 178 7.696 7.696 7.783 -0.087 17780 12607 1 20 . 1 1 90 90 CYS N N 179 119.012 119.012 120.077 -1.065 17780 12608 1 20 . 1 1 90 90 CYS HA H 179 4.753 4.753 4.316 0.437 17780 12609 1 20 . 1 1 90 90 CYS CA C 179 58.466 58.466 61.980 -3.514 17780 12610 1 20 . 1 1 90 90 CYS CB C 179 40.758 40.758 25.834 14.924 17780 12611 1 20 . 1 1 90 90 CYS H H 179 8.037 8.037 7.575 0.462 17780 12612 1 20 . 1 1 91 91 VAL N N 180 125.063 125.063 119.248 5.815 17780 12613 1 20 . 1 1 91 91 VAL HA H 180 3.667 3.667 3.705 -0.038 17780 12614 1 20 . 1 1 91 91 VAL CA C 180 66.293 66.293 66.156 0.137 17780 12615 1 20 . 1 1 91 91 VAL CB C 180 32.028 32.028 30.368 1.660 17780 12616 1 20 . 1 1 91 91 VAL H H 180 9.212 9.212 8.594 0.618 17780 12617 1 20 . 1 1 92 92 ASN N N 181 116.153 116.153 120.058 -3.905 17780 12618 1 20 . 1 1 92 92 ASN HA H 181 4.311 4.311 4.395 -0.084 17780 12619 1 20 . 1 1 92 92 ASN CA C 181 56.622 56.622 56.325 0.297 17780 12620 1 20 . 1 1 92 92 ASN CB C 181 38.749 38.749 38.413 0.336 17780 12621 1 20 . 1 1 92 92 ASN H H 181 7.626 7.626 7.662 -0.036 17780 12622 1 20 . 1 1 93 93 ILE N N 182 118.637 118.637 119.707 -1.070 17780 12623 1 20 . 1 1 93 93 ILE HA H 182 3.787 3.787 3.703 0.084 17780 12624 1 20 . 1 1 93 93 ILE CA C 182 62.078 62.078 63.914 -1.836 17780 12625 1 20 . 1 1 93 93 ILE CB C 182 36.535 36.535 36.412 0.123 17780 12626 1 20 . 1 1 93 93 ILE H H 182 8.610 8.610 8.574 0.036 17780 12627 1 20 . 1 1 94 94 THR N N 183 118.229 118.229 117.788 0.441 17780 12628 1 20 . 1 1 94 94 THR HA H 183 4.097 4.097 4.007 0.090 17780 12629 1 20 . 1 1 94 94 THR CA C 183 68.834 68.834 67.284 1.550 17780 12630 1 20 . 1 1 94 94 THR CB C 183 68.258 68.258 68.787 -0.529 17780 12631 1 20 . 1 1 94 94 THR H H 183 8.140 8.140 8.109 0.031 17780 12632 1 20 . 1 1 95 95 ILE N N 184 120.906 120.906 121.492 -0.586 17780 12633 1 20 . 1 1 95 95 ILE HA H 184 3.666 3.666 3.881 -0.215 17780 12634 1 20 . 1 1 95 95 ILE CA C 184 66.259 66.259 63.612 2.647 17780 12635 1 20 . 1 1 95 95 ILE CB C 184 36.824 36.824 37.956 -1.132 17780 12636 1 20 . 1 1 95 95 ILE H H 184 8.450 8.450 8.204 0.246 17780 12637 1 20 . 1 1 96 96 LYS N N 185 123.208 123.208 121.294 1.914 17780 12638 1 20 . 1 1 96 96 LYS HA H 185 4.067 4.067 3.830 0.237 17780 12639 1 20 . 1 1 96 96 LYS CA C 185 59.987 59.987 60.209 -0.222 17780 12640 1 20 . 1 1 96 96 LYS CB C 185 32.119 32.119 32.160 -0.041 17780 12641 1 20 . 1 1 96 96 LYS H H 185 8.067 8.067 8.371 -0.304 17780 12642 1 20 . 1 1 97 97 GLN N N 186 116.879 116.879 117.981 -1.102 17780 12643 1 20 . 1 1 97 97 GLN HA H 186 4.059 4.059 3.978 0.081 17780 12644 1 20 . 1 1 97 97 GLN CA C 186 58.010 58.010 58.834 -0.824 17780 12645 1 20 . 1 1 97 97 GLN CB C 186 27.982 27.982 28.207 -0.225 17780 12646 1 20 . 1 1 97 97 GLN H H 186 8.493 8.493 8.340 0.153 17780 12647 1 20 . 1 1 98 98 HIS N N 187 119.676 119.676 121.350 -1.674 17780 12648 1 20 . 1 1 98 98 HIS HA H 187 4.579 4.579 4.399 0.180 17780 12649 1 20 . 1 1 98 98 HIS CA C 187 59.465 59.465 59.120 0.345 17780 12650 1 20 . 1 1 98 98 HIS CB C 187 31.628 31.628 29.846 1.782 17780 12651 1 20 . 1 1 98 98 HIS H H 187 8.435 8.435 7.592 0.843 17780 12652 1 20 . 1 1 99 99 THR N N 188 114.500 114.500 115.159 -0.659 17780 12653 1 20 . 1 1 99 99 THR HA H 188 4.090 4.090 3.666 0.424 17780 12654 1 20 . 1 1 99 99 THR CA C 188 66.210 66.210 65.319 0.891 17780 12655 1 20 . 1 1 99 99 THR CB C 188 68.800 68.800 68.463 0.337 17780 12656 1 20 . 1 1 99 99 THR H H 188 8.440 8.440 8.263 0.177 17780 12657 1 20 . 1 1 100 100 VAL N N 189 122.934 122.934 121.502 1.432 17780 12658 1 20 . 1 1 100 100 VAL HA H 189 3.838 3.838 3.761 0.077 17780 12659 1 20 . 1 1 100 100 VAL CA C 189 65.832 65.832 65.647 0.185 17780 12660 1 20 . 1 1 100 100 VAL CB C 189 31.897 31.897 31.997 -0.100 17780 12661 1 20 . 1 1 100 100 VAL H H 189 8.057 8.057 8.081 -0.024 17780 12662 1 20 . 1 1 101 101 THR N N 190 115.101 115.101 113.027 2.074 17780 12663 1 20 . 1 1 101 101 THR HA H 190 4.140 4.140 4.051 0.089 17780 12664 1 20 . 1 1 101 101 THR CA C 190 64.907 64.907 66.585 -1.678 17780 12665 1 20 . 1 1 101 101 THR CB C 190 69.041 69.041 67.907 1.133 17780 12666 1 20 . 1 1 101 101 THR H H 190 8.131 8.131 7.600 0.531 17780 12667 1 20 . 1 1 102 102 THR N N 191 114.546 114.546 119.171 -4.625 17780 12668 1 20 . 1 1 102 102 THR HA H 191 4.092 4.092 3.895 0.197 17780 12669 1 20 . 1 1 102 102 THR CA C 191 64.801 64.801 67.947 -3.146 17780 12670 1 20 . 1 1 102 102 THR CB C 191 69.145 69.145 68.181 0.964 17780 12671 1 20 . 1 1 102 102 THR H H 191 8.011 8.011 7.901 0.110 17780 12672 1 20 . 1 1 103 103 THR N N 192 117.876 117.876 114.205 3.671 17780 12673 1 20 . 1 1 103 103 THR HA H 192 4.373 4.373 4.791 -0.418 17780 12674 1 20 . 1 1 103 103 THR CA C 192 64.935 64.935 65.085 -0.150 17780 12675 1 20 . 1 1 103 103 THR CB C 192 69.043 69.043 68.326 0.717 17780 12676 1 20 . 1 1 103 103 THR H H 192 8.224 8.224 7.674 0.550 17780 12677 1 20 . 1 1 104 104 THR N N 193 116.232 116.232 118.927 -2.695 17780 12678 1 20 . 1 1 104 104 THR HA H 193 4.204 4.204 4.115 0.089 17780 12679 1 20 . 1 1 104 104 THR CA C 193 64.311 64.311 65.837 -1.526 17780 12680 1 20 . 1 1 104 104 THR CB C 193 68.981 68.981 68.620 0.361 17780 12681 1 20 . 1 1 104 104 THR H H 193 7.805 7.805 7.843 -0.038 17780 12682 1 20 . 1 1 105 105 LYS N N 194 119.843 119.843 118.676 1.167 17780 12683 1 20 . 1 1 105 105 LYS HA H 194 4.384 4.384 4.410 -0.026 17780 12684 1 20 . 1 1 105 105 LYS CA C 194 56.220 56.220 55.460 0.760 17780 12685 1 20 . 1 1 105 105 LYS CB C 194 32.527 32.527 32.576 -0.049 17780 12686 1 20 . 1 1 105 105 LYS H H 194 7.504 7.504 7.700 -0.196 17780 12687 1 20 . 1 1 106 106 GLY N N 195 107.946 107.946 107.706 0.240 17780 12688 1 20 . 1 1 106 106 GLY CA C 195 45.431 45.431 45.135 0.296 17780 12689 1 20 . 1 1 106 106 GLY H H 195 7.924 7.924 7.573 0.351 17780 12690 1 20 . 1 1 107 107 GLU N N 196 120.063 120.063 120.238 -0.175 17780 12691 1 20 . 1 1 107 107 GLU HA H 196 4.255 4.255 4.680 -0.425 17780 12692 1 20 . 1 1 107 107 GLU CA C 196 55.597 55.597 54.763 0.834 17780 12693 1 20 . 1 1 107 107 GLU CB C 196 31.073 31.073 32.614 -1.541 17780 12694 1 20 . 1 1 107 107 GLU H H 196 7.465 7.465 8.361 -0.896 17780 12695 1 20 . 1 1 108 108 ASN N N 197 119.350 119.350 118.523 0.827 17780 12696 1 20 . 1 1 108 108 ASN HA H 197 4.657 4.657 5.057 -0.400 17780 12697 1 20 . 1 1 108 108 ASN CA C 197 52.673 52.673 52.884 -0.211 17780 12698 1 20 . 1 1 108 108 ASN CB C 197 40.827 40.827 40.481 0.346 17780 12699 1 20 . 1 1 108 108 ASN H H 197 8.458 8.458 8.540 -0.082 17780 12700 1 20 . 1 1 109 109 PHE N N 198 121.688 121.688 120.049 1.639 17780 12701 1 20 . 1 1 109 109 PHE HA H 198 5.317 5.317 4.849 0.468 17780 12702 1 20 . 1 1 109 109 PHE CA C 198 56.571 56.571 56.215 0.356 17780 12703 1 20 . 1 1 109 109 PHE CB C 198 40.093 40.093 42.778 -2.685 17780 12704 1 20 . 1 1 109 109 PHE H H 198 8.709 8.709 8.755 -0.046 17780 12705 1 20 . 1 1 110 110 THR N N 199 115.904 115.904 115.792 0.112 17780 12706 1 20 . 1 1 110 110 THR HA H 199 4.624 4.624 4.578 0.046 17780 12707 1 20 . 1 1 110 110 THR CA C 199 60.343 60.343 61.289 -0.946 17780 12708 1 20 . 1 1 110 110 THR CB C 199 72.033 72.033 70.341 1.692 17780 12709 1 20 . 1 1 110 110 THR H H 199 9.547 9.547 8.749 0.798 17780 12710 1 20 . 1 1 111 111 GLU N N 200 119.988 119.988 121.177 -1.189 17780 12711 1 20 . 1 1 111 111 GLU HA H 200 4.067 4.067 4.066 0.001 17780 12712 1 20 . 1 1 111 111 GLU CA C 200 60.027 60.027 59.799 0.228 17780 12713 1 20 . 1 1 111 111 GLU CB C 200 28.976 28.976 28.802 0.174 17780 12714 1 20 . 1 1 111 111 GLU H H 200 9.132 9.132 9.009 0.123 17780 12715 1 20 . 1 1 112 112 THR N N 201 116.221 116.221 116.248 -0.027 17780 12716 1 20 . 1 1 112 112 THR HA H 201 3.796 3.796 4.082 -0.286 17780 12717 1 20 . 1 1 112 112 THR CA C 201 66.781 66.781 66.458 0.323 17780 12718 1 20 . 1 1 112 112 THR CB C 201 68.581 68.581 68.489 0.092 17780 12719 1 20 . 1 1 112 112 THR H H 201 7.934 7.934 8.133 -0.199 17780 12720 1 20 . 1 1 113 113 ASP N N 202 120.001 120.001 123.023 -3.022 17780 12721 1 20 . 1 1 113 113 ASP HA H 202 4.598 4.598 4.543 0.055 17780 12722 1 20 . 1 1 113 113 ASP CA C 202 57.984 57.984 58.132 -0.148 17780 12723 1 20 . 1 1 113 113 ASP CB C 202 41.756 41.756 41.102 0.654 17780 12724 1 20 . 1 1 113 113 ASP H H 202 7.503 7.503 8.136 -0.633 17780 12725 1 20 . 1 1 114 114 VAL N N 203 119.529 119.529 119.159 0.370 17780 12726 1 20 . 1 1 114 114 VAL HA H 203 3.279 3.279 3.631 -0.352 17780 12727 1 20 . 1 1 114 114 VAL CA C 203 67.817 67.817 66.069 1.748 17780 12728 1 20 . 1 1 114 114 VAL CB C 203 31.528 31.528 31.218 0.310 17780 12729 1 20 . 1 1 114 114 VAL H H 203 8.209 8.209 7.859 0.350 17780 12730 1 20 . 1 1 115 115 LYS N N 204 119.051 119.051 120.674 -1.623 17780 12731 1 20 . 1 1 115 115 LYS HA H 204 4.082 4.082 4.318 -0.236 17780 12732 1 20 . 1 1 115 115 LYS CA C 204 59.268 59.268 59.415 -0.147 17780 12733 1 20 . 1 1 115 115 LYS CB C 204 31.979 31.979 32.678 -0.699 17780 12734 1 20 . 1 1 115 115 LYS H H 204 7.714 7.714 8.204 -0.490 17780 12735 1 20 . 1 1 116 116 MET N N 205 118.581 118.581 116.833 1.748 17780 12736 1 20 . 1 1 116 116 MET HA H 205 4.167 4.167 4.423 -0.256 17780 12737 1 20 . 1 1 116 116 MET CA C 205 59.984 59.984 58.628 1.356 17780 12738 1 20 . 1 1 116 116 MET CB C 205 32.933 32.933 33.028 -0.095 17780 12739 1 20 . 1 1 116 116 MET H H 205 8.182 8.182 8.299 -0.117 17780 12740 1 20 . 1 1 117 117 MET N N 206 118.259 118.259 117.247 1.012 17780 12741 1 20 . 1 1 117 117 MET HA H 206 3.561 3.561 4.101 -0.540 17780 12742 1 20 . 1 1 117 117 MET CA C 206 59.967 59.967 58.340 1.627 17780 12743 1 20 . 1 1 117 117 MET CB C 206 33.824 33.824 31.845 1.979 17780 12744 1 20 . 1 1 117 117 MET H H 206 8.691 8.691 7.771 0.920 17780 12745 1 20 . 1 1 118 118 GLU N N 207 118.878 118.878 120.185 -1.307 17780 12746 1 20 . 1 1 118 118 GLU HA H 207 3.658 3.658 3.895 -0.237 17780 12747 1 20 . 1 1 118 118 GLU CA C 207 60.702 60.702 59.278 1.424 17780 12748 1 20 . 1 1 118 118 GLU CB C 207 29.000 29.000 29.373 -0.373 17780 12749 1 20 . 1 1 118 118 GLU H H 207 8.544 8.544 8.035 0.509 17780 12750 1 20 . 1 1 119 119 ARG N N 208 116.694 116.694 117.376 -0.682 17780 12751 1 20 . 1 1 119 119 ARG HA H 208 4.228 4.228 4.012 0.216 17780 12752 1 20 . 1 1 119 119 ARG CA C 208 58.554 58.554 59.016 -0.462 17780 12753 1 20 . 1 1 119 119 ARG CB C 208 30.136 30.136 29.850 0.286 17780 12754 1 20 . 1 1 119 119 ARG H H 208 7.289 7.289 7.706 -0.417 17780 12755 1 20 . 1 1 120 120 VAL N N 209 119.035 119.035 115.782 3.253 17780 12756 1 20 . 1 1 120 120 VAL HA H 209 3.837 3.837 3.961 -0.124 17780 12757 1 20 . 1 1 120 120 VAL CA C 209 65.766 65.766 65.353 0.413 17780 12758 1 20 . 1 1 120 120 VAL CB C 209 32.213 32.213 31.845 0.368 17780 12759 1 20 . 1 1 120 120 VAL H H 209 8.279 8.279 7.268 1.011 17780 12760 1 20 . 1 1 121 121 VAL N N 210 121.668 121.668 116.909 4.759 17780 12761 1 20 . 1 1 121 121 VAL HA H 210 3.597 3.597 3.783 -0.186 17780 12762 1 20 . 1 1 121 121 VAL CA C 210 66.639 66.639 66.022 0.618 17780 12763 1 20 . 1 1 121 121 VAL CB C 210 31.097 31.097 31.060 0.037 17780 12764 1 20 . 1 1 121 121 VAL H H 210 9.183 9.183 7.620 1.563 17780 12765 1 20 . 1 1 122 122 GLU N N 211 120.770 120.770 120.615 0.155 17780 12766 1 20 . 1 1 122 122 GLU HA H 211 3.603 3.603 3.817 -0.214 17780 12767 1 20 . 1 1 122 122 GLU CA C 211 61.132 61.132 60.297 0.834 17780 12768 1 20 . 1 1 122 122 GLU CB C 211 29.153 29.153 29.171 -0.018 17780 12769 1 20 . 1 1 122 122 GLU H H 211 8.041 8.041 7.733 0.308 17780 12770 1 20 . 1 1 123 123 GLN N N 212 114.580 114.580 117.476 -2.896 17780 12771 1 20 . 1 1 123 123 GLN HA H 212 3.662 3.662 4.120 -0.458 17780 12772 1 20 . 1 1 123 123 GLN CA C 212 58.509 58.509 57.968 0.541 17780 12773 1 20 . 1 1 123 123 GLN CB C 212 27.824 27.824 27.932 -0.108 17780 12774 1 20 . 1 1 123 123 GLN H H 212 7.096 7.096 7.950 -0.854 17780 12775 1 20 . 1 1 124 124 MET N N 213 119.748 119.748 120.953 -1.205 17780 12776 1 20 . 1 1 124 124 MET HA H 213 4.167 4.167 4.229 -0.062 17780 12777 1 20 . 1 1 124 124 MET CA C 213 59.928 59.928 59.111 0.817 17780 12778 1 20 . 1 1 124 124 MET CB C 213 34.529 34.529 32.698 1.831 17780 12779 1 20 . 1 1 124 124 MET H H 213 8.145 8.145 7.787 0.358 17780 12780 1 20 . 1 1 125 125 CYS N N 214 119.538 119.538 119.311 0.227 17780 12781 1 20 . 1 1 125 125 CYS HA H 214 4.427 4.427 4.206 0.221 17780 12782 1 20 . 1 1 125 125 CYS CA C 214 59.838 59.838 62.176 -2.338 17780 12783 1 20 . 1 1 125 125 CYS CB C 214 41.798 41.798 25.576 16.222 17780 12784 1 20 . 1 1 125 125 CYS H H 214 9.275 9.275 8.273 1.002 17780 12785 1 20 . 1 1 126 126 ILE N N 215 123.982 123.982 121.063 2.919 17780 12786 1 20 . 1 1 126 126 ILE HA H 215 3.579 3.579 3.824 -0.245 17780 12787 1 20 . 1 1 126 126 ILE CA C 215 66.649 66.649 65.492 1.157 17780 12788 1 20 . 1 1 126 126 ILE CB C 215 38.152 38.152 37.886 0.266 17780 12789 1 20 . 1 1 126 126 ILE H H 215 8.434 8.434 7.808 0.626 17780 12790 1 20 . 1 1 127 127 THR N N 216 118.728 118.728 116.182 2.546 17780 12791 1 20 . 1 1 127 127 THR HA H 216 3.835 3.835 3.936 -0.101 17780 12792 1 20 . 1 1 127 127 THR CA C 216 67.425 67.425 67.031 0.394 17780 12793 1 20 . 1 1 127 127 THR CB C 216 68.035 68.035 68.210 -0.175 17780 12794 1 20 . 1 1 127 127 THR H H 216 8.097 8.097 8.072 0.025 17780 12795 1 20 . 1 1 128 128 GLN N N 217 122.368 122.368 120.279 2.089 17780 12796 1 20 . 1 1 128 128 GLN HA H 217 3.662 3.662 4.131 -0.469 17780 12797 1 20 . 1 1 128 128 GLN CA C 217 58.462 58.462 58.305 0.157 17780 12798 1 20 . 1 1 128 128 GLN CB C 217 28.075 28.075 28.197 -0.122 17780 12799 1 20 . 1 1 128 128 GLN H H 217 8.637 8.637 7.733 0.904 17780 12800 1 20 . 1 1 129 129 TYR N N 218 121.512 121.512 122.791 -1.279 17780 12801 1 20 . 1 1 129 129 TYR HA H 218 2.929 2.929 3.920 -0.991 17780 12802 1 20 . 1 1 129 129 TYR CA C 218 61.904 61.904 61.431 0.473 17780 12803 1 20 . 1 1 129 129 TYR CB C 218 37.075 37.075 38.301 -1.226 17780 12804 1 20 . 1 1 129 129 TYR H H 218 8.705 8.705 9.013 -0.308 17780 12805 1 20 . 1 1 130 130 LYS N N 219 120.801 120.801 117.772 3.029 17780 12806 1 20 . 1 1 130 130 LYS HA H 219 3.667 3.667 3.886 -0.219 17780 12807 1 20 . 1 1 130 130 LYS CA C 219 60.001 60.001 57.409 2.592 17780 12808 1 20 . 1 1 130 130 LYS CB C 219 31.732 31.732 31.665 0.067 17780 12809 1 20 . 1 1 130 130 LYS H H 219 8.232 8.232 8.283 -0.051 17780 12810 1 20 . 1 1 131 131 ARG HA H 220 3.978 3.978 4.048 -0.070 17780 12811 1 20 . 1 1 131 131 ARG CA C 220 59.013 59.013 58.608 0.406 17780 12812 1 20 . 1 1 131 131 ARG CB C 220 30.028 30.028 29.983 0.045 17780 12813 1 20 . 1 1 132 132 GLU N N 221 119.690 119.690 119.187 0.503 17780 12814 1 20 . 1 1 132 132 GLU HA H 221 4.035 4.035 4.153 -0.118 17780 12815 1 20 . 1 1 132 132 GLU CA C 221 58.006 58.006 59.169 -1.163 17780 12816 1 20 . 1 1 132 132 GLU CB C 221 29.270 29.270 29.303 -0.033 17780 12817 1 20 . 1 1 132 132 GLU H H 221 8.521 8.521 8.671 -0.150 17780 12818 1 20 . 1 1 133 133 SER N N 222 115.963 115.963 114.767 1.196 17780 12819 1 20 . 1 1 133 133 SER HA H 222 3.884 3.884 3.994 -0.110 17780 12820 1 20 . 1 1 133 133 SER CA C 222 61.500 61.500 61.512 -0.012 17780 12821 1 20 . 1 1 133 133 SER CB C 222 62.207 62.207 62.153 0.054 17780 12822 1 20 . 1 1 133 133 SER H H 222 8.543 8.543 8.134 0.409 17780 12823 1 20 . 1 1 134 134 GLN N N 223 120.695 120.695 121.055 -0.360 17780 12824 1 20 . 1 1 134 134 GLN HA H 223 4.152 4.152 3.577 0.575 17780 12825 1 20 . 1 1 134 134 GLN CA C 223 58.646 58.646 58.121 0.525 17780 12826 1 20 . 1 1 134 134 GLN CB C 223 28.299 28.299 28.306 -0.007 17780 12827 1 20 . 1 1 134 134 GLN H H 223 7.486 7.486 7.275 0.211 17780 12828 1 20 . 1 1 135 135 ALA N N 224 120.905 120.905 121.353 -0.448 17780 12829 1 20 . 1 1 135 135 ALA HA H 224 4.169 4.169 4.118 0.051 17780 12830 1 20 . 1 1 135 135 ALA CA C 224 54.404 54.404 54.441 -0.037 17780 12831 1 20 . 1 1 135 135 ALA CB C 224 18.233 18.233 18.227 0.006 17780 12832 1 20 . 1 1 135 135 ALA H H 224 7.497 7.497 7.433 0.064 17780 12833 1 20 . 1 1 136 136 TYR N N 225 119.969 119.969 121.139 -1.170 17780 12834 1 20 . 1 1 136 136 TYR HA H 225 4.080 4.080 4.153 -0.073 17780 12835 1 20 . 1 1 136 136 TYR CA C 225 61.060 61.060 61.164 -0.104 17780 12836 1 20 . 1 1 136 136 TYR CB C 225 39.008 39.008 38.533 0.475 17780 12837 1 20 . 1 1 136 136 TYR H H 225 8.215 8.215 7.714 0.501 17780 12838 1 20 . 1 1 137 137 TYR N N 226 117.988 117.988 117.217 0.771 17780 12839 1 20 . 1 1 137 137 TYR HA H 226 4.319 4.319 4.018 0.301 17780 12840 1 20 . 1 1 137 137 TYR CA C 226 59.543 59.543 58.541 1.002 17780 12841 1 20 . 1 1 137 137 TYR CB C 226 37.769 37.769 36.634 1.135 17780 12842 1 20 . 1 1 137 137 TYR H H 226 8.022 8.022 8.358 -0.336 17780 12843 1 20 . 1 1 138 138 GLN N N 227 118.911 118.911 118.484 0.427 17780 12844 1 20 . 1 1 138 138 GLN HA H 227 4.189 4.189 4.116 0.073 17780 12845 1 20 . 1 1 138 138 GLN CA C 227 57.002 57.002 57.478 -0.476 17780 12846 1 20 . 1 1 138 138 GLN CB C 227 28.740 28.740 27.568 1.172 17780 12847 1 20 . 1 1 138 138 GLN H H 227 7.838 7.838 7.682 0.156 17780 12848 1 20 . 1 1 139 139 ARG N N 228 119.910 119.910 120.016 -0.106 17780 12849 1 20 . 1 1 139 139 ARG HA H 228 4.207 4.207 4.164 0.043 17780 12850 1 20 . 1 1 139 139 ARG CA C 228 57.338 57.338 57.197 0.141 17780 12851 1 20 . 1 1 139 139 ARG CB C 228 30.390 30.390 30.049 0.341 17780 12852 1 20 . 1 1 139 139 ARG H H 228 7.862 7.862 7.863 -0.001 17780 12853 1 20 . 1 1 140 140 GLY N N 229 108.627 108.627 105.472 3.155 17780 12854 1 20 . 1 1 140 140 GLY CA C 229 45.477 45.477 44.727 0.750 17780 12855 1 20 . 1 1 140 140 GLY H H 229 8.092 8.092 7.698 0.394 17780 12856 1 20 . 1 1 141 141 SER N N 230 115.141 115.141 115.268 -0.127 17780 12857 1 20 . 1 1 141 141 SER HA H 230 4.330 4.330 4.408 -0.078 17780 12858 1 20 . 1 1 141 141 SER CA C 230 58.650 58.650 58.685 -0.035 17780 12859 1 20 . 1 1 141 141 SER CB C 230 63.641 63.641 63.499 0.142 17780 12860 1 20 . 1 1 141 141 SER H H 230 8.050 8.050 7.614 0.436 17780 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 130 2.480 -0.498 2.438 17780 2 1 1 "Average Difference" HA 149 0.334 0.060 0.330 17780 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17780 4 1 1 "Average Difference" CA 136 1.163 -0.170 1.155 17780 5 1 1 "Average Difference" CB 124 2.333 -0.130 2.339 17780 6 1 1 "Average Difference" HN 130 0.590 -0.129 0.578 17780 7 1 2 "Average Difference" N 130 2.634 -0.279 2.629 17780 8 1 2 "Average Difference" HA 149 0.316 0.040 0.314 17780 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17780 10 1 2 "Average Difference" CA 136 1.020 -0.121 1.017 17780 11 1 2 "Average Difference" CB 124 2.326 -0.222 2.325 17780 12 1 2 "Average Difference" HN 130 0.528 -0.160 0.505 17780 13 1 3 "Average Difference" N 130 2.487 -0.447 2.456 17780 14 1 3 "Average Difference" HA 149 0.354 0.103 0.340 17780 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17780 16 1 3 "Average Difference" CA 136 1.140 -0.193 1.127 17780 17 1 3 "Average Difference" CB 124 2.362 0.004 2.372 17780 18 1 3 "Average Difference" HN 130 0.670 -0.041 0.671 17780 19 1 4 "Average Difference" N 130 2.525 -0.388 2.505 17780 20 1 4 "Average Difference" HA 149 0.313 0.045 0.310 17780 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17780 22 1 4 "Average Difference" CA 136 1.141 -0.219 1.124 17780 23 1 4 "Average Difference" CB 124 2.284 -0.157 2.288 17780 24 1 4 "Average Difference" HN 130 0.569 -0.170 0.546 17780 25 1 5 "Average Difference" N 130 2.493 -0.406 2.470 17780 26 1 5 "Average Difference" HA 149 0.317 0.025 0.318 17780 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17780 28 1 5 "Average Difference" CA 136 1.131 -0.187 1.120 17780 29 1 5 "Average Difference" CB 124 2.339 -0.043 2.348 17780 30 1 5 "Average Difference" HN 130 0.548 -0.177 0.520 17780 31 1 6 "Average Difference" N 130 2.390 -0.411 2.364 17780 32 1 6 "Average Difference" HA 149 0.361 0.071 0.355 17780 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17780 34 1 6 "Average Difference" CA 136 1.179 -0.175 1.170 17780 35 1 6 "Average Difference" CB 124 2.332 -0.075 2.340 17780 36 1 6 "Average Difference" HN 130 0.639 -0.079 0.636 17780 37 1 7 "Average Difference" N 130 2.531 -0.446 2.501 17780 38 1 7 "Average Difference" HA 149 0.332 0.083 0.322 17780 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17780 40 1 7 "Average Difference" CA 136 1.166 -0.205 1.152 17780 41 1 7 "Average Difference" CB 124 2.344 -0.004 2.354 17780 42 1 7 "Average Difference" HN 130 0.583 -0.166 0.561 17780 43 1 8 "Average Difference" N 130 2.624 -0.226 2.625 17780 44 1 8 "Average Difference" HA 149 0.311 0.063 0.306 17780 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17780 46 1 8 "Average Difference" CA 136 1.100 -0.199 1.086 17780 47 1 8 "Average Difference" CB 124 2.329 -0.114 2.336 17780 48 1 8 "Average Difference" HN 130 0.516 -0.146 0.497 17780 49 1 9 "Average Difference" N 130 2.658 -0.358 2.644 17780 50 1 9 "Average Difference" HA 149 0.362 0.068 0.356 17780 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17780 52 1 9 "Average Difference" CA 136 1.248 -0.221 1.233 17780 53 1 9 "Average Difference" CB 124 2.344 -0.064 2.353 17780 54 1 9 "Average Difference" HN 130 0.610 -0.120 0.601 17780 55 1 10 "Average Difference" N 130 2.458 -0.459 2.424 17780 56 1 10 "Average Difference" HA 149 0.302 0.016 0.303 17780 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17780 58 1 10 "Average Difference" CA 136 1.211 -0.190 1.201 17780 59 1 10 "Average Difference" CB 124 2.339 -0.161 2.343 17780 60 1 10 "Average Difference" HN 130 0.542 -0.192 0.508 17780 61 1 11 "Average Difference" N 130 2.591 -0.264 2.588 17780 62 1 11 "Average Difference" HA 149 0.287 0.040 0.285 17780 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17780 64 1 11 "Average Difference" CA 136 1.239 -0.217 1.224 17780 65 1 11 "Average Difference" CB 124 2.294 -0.133 2.300 17780 66 1 11 "Average Difference" HN 130 0.560 -0.233 0.511 17780 67 1 12 "Average Difference" N 130 2.368 -0.476 2.329 17780 68 1 12 "Average Difference" HA 149 0.309 0.041 0.307 17780 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17780 70 1 12 "Average Difference" CA 136 1.168 -0.178 1.159 17780 71 1 12 "Average Difference" CB 124 2.315 -0.064 2.323 17780 72 1 12 "Average Difference" HN 130 0.563 -0.151 0.544 17780 73 1 13 "Average Difference" N 130 2.470 -0.279 2.464 17780 74 1 13 "Average Difference" HA 149 0.334 0.062 0.329 17780 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17780 76 1 13 "Average Difference" CA 136 1.103 -0.169 1.094 17780 77 1 13 "Average Difference" CB 124 2.353 -0.077 2.361 17780 78 1 13 "Average Difference" HN 130 0.563 -0.135 0.548 17780 79 1 14 "Average Difference" N 130 2.557 -0.426 2.531 17780 80 1 14 "Average Difference" HA 149 0.295 0.032 0.294 17780 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17780 82 1 14 "Average Difference" CA 136 1.192 -0.220 1.176 17780 83 1 14 "Average Difference" CB 124 2.314 -0.158 2.318 17780 84 1 14 "Average Difference" HN 130 0.582 -0.210 0.545 17780 85 1 15 "Average Difference" N 130 2.683 -0.246 2.682 17780 86 1 15 "Average Difference" HA 149 0.312 0.045 0.309 17780 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17780 88 1 15 "Average Difference" CA 136 1.110 -0.128 1.107 17780 89 1 15 "Average Difference" CB 124 2.295 -0.163 2.298 17780 90 1 15 "Average Difference" HN 130 0.552 -0.190 0.520 17780 91 1 16 "Average Difference" N 130 2.439 -0.516 2.393 17780 92 1 16 "Average Difference" HA 149 0.356 0.084 0.347 17780 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17780 94 1 16 "Average Difference" CA 136 1.127 -0.241 1.105 17780 95 1 16 "Average Difference" CB 124 2.328 -0.017 2.337 17780 96 1 16 "Average Difference" HN 130 0.607 -0.154 0.589 17780 97 1 17 "Average Difference" N 130 2.320 -0.384 2.297 17780 98 1 17 "Average Difference" HA 149 0.315 0.052 0.312 17780 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17780 100 1 17 "Average Difference" CA 136 1.115 -0.189 1.103 17780 101 1 17 "Average Difference" CB 124 2.315 -0.077 2.323 17780 102 1 17 "Average Difference" HN 130 0.573 -0.131 0.560 17780 103 1 18 "Average Difference" N 130 2.371 -0.412 2.344 17780 104 1 18 "Average Difference" HA 149 0.354 0.088 0.344 17780 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17780 106 1 18 "Average Difference" CA 136 1.083 -0.193 1.070 17780 107 1 18 "Average Difference" CB 124 2.355 -0.048 2.364 17780 108 1 18 "Average Difference" HN 130 0.596 -0.084 0.592 17780 109 1 19 "Average Difference" N 130 2.443 -0.370 2.424 17780 110 1 19 "Average Difference" HA 149 0.311 0.048 0.308 17780 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17780 112 1 19 "Average Difference" CA 136 1.148 -0.095 1.149 17780 113 1 19 "Average Difference" CB 124 2.297 -0.183 2.299 17780 114 1 19 "Average Difference" HN 130 0.578 -0.160 0.557 17780 115 1 20 "Average Difference" N 130 2.489 -0.261 2.485 17780 116 1 20 "Average Difference" HA 149 0.322 0.043 0.320 17780 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17780 118 1 20 "Average Difference" CA 136 1.194 -0.183 1.185 17780 119 1 20 "Average Difference" CB 124 2.305 -0.114 2.312 17780 120 1 20 "Average Difference" HN 130 0.586 -0.151 0.568 17780 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 17780 _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 2 2 GLN N N 91 119.729 119.729 119.139 0.590 17780 2 1 . 1 1 2 2 GLN HA H 91 4.407 4.407 4.727 -0.320 17780 3 1 . 1 1 2 2 GLN CA C 91 55.969 55.969 55.758 0.211 17780 4 1 . 1 1 2 2 GLN CB C 91 29.576 29.576 30.303 -0.727 17780 5 1 . 1 1 2 2 GLN H H 91 8.267 8.267 9.128 -0.861 17780 6 1 . 1 1 3 3 GLY N N 92 110.081 110.081 107.918 2.163 17780 7 1 . 1 1 3 3 GLY CA C 92 45.115 45.115 44.893 0.222 17780 8 1 . 1 1 3 3 GLY H H 92 8.515 8.515 8.597 -0.082 17780 9 1 . 1 1 4 4 GLY N N 93 108.748 108.748 107.147 1.601 17780 10 1 . 1 1 4 4 GLY CA C 93 45.228 45.228 45.180 0.048 17780 11 1 . 1 1 4 4 GLY H H 93 8.331 8.331 8.910 -0.579 17780 12 1 . 1 1 5 5 GLY N N 94 108.857 108.857 107.577 1.280 17780 13 1 . 1 1 5 5 GLY CA C 94 45.172 45.172 45.304 -0.132 17780 14 1 . 1 1 5 5 GLY H H 94 8.362 8.362 8.722 -0.360 17780 15 1 . 1 1 6 6 THR N N 95 113.538 113.538 113.128 0.410 17780 16 1 . 1 1 6 6 THR HA H 95 4.282 4.282 4.548 -0.266 17780 17 1 . 1 1 6 6 THR CA C 95 61.906 61.906 61.689 0.217 17780 18 1 . 1 1 6 6 THR CB C 95 69.711 69.711 69.911 -0.199 17780 19 1 . 1 1 6 6 THR H H 95 8.129 8.129 8.279 -0.150 17780 20 1 . 1 1 7 7 HIS N N 96 121.027 121.027 120.043 0.984 17780 21 1 . 1 1 7 7 HIS HA H 96 4.713 4.713 4.912 -0.199 17780 22 1 . 1 1 7 7 HIS CA C 96 55.169 55.169 55.607 -0.438 17780 23 1 . 1 1 7 7 HIS CB C 96 29.575 29.575 30.877 -1.302 17780 24 1 . 1 1 7 7 HIS H H 96 8.497 8.497 8.519 -0.022 17780 25 1 . 1 1 8 8 SER N N 97 117.031 117.031 117.669 -0.638 17780 26 1 . 1 1 8 8 SER HA H 97 4.405 4.405 4.594 -0.189 17780 27 1 . 1 1 8 8 SER CA C 97 58.379 58.379 57.872 0.507 17780 28 1 . 1 1 8 8 SER CB C 97 63.535 63.535 64.524 -0.990 17780 29 1 . 1 1 8 8 SER H H 97 8.275 8.275 8.451 -0.176 17780 30 1 . 1 1 9 9 GLN N N 98 122.084 122.084 121.669 0.415 17780 31 1 . 1 1 9 9 GLN HA H 98 4.279 4.279 4.705 -0.426 17780 32 1 . 1 1 9 9 GLN CA C 98 55.970 55.970 55.596 0.374 17780 33 1 . 1 1 9 9 GLN CB C 98 29.157 29.157 30.563 -1.406 17780 34 1 . 1 1 9 9 GLN H H 98 8.462 8.462 8.497 -0.035 17780 35 1 . 1 1 10 10 TRP N N 99 121.630 121.630 125.776 -4.146 17780 36 1 . 1 1 10 10 TRP HA H 99 4.676 4.676 4.959 -0.283 17780 37 1 . 1 1 10 10 TRP CA C 99 57.046 57.046 57.220 -0.174 17780 38 1 . 1 1 10 10 TRP CB C 99 29.440 29.440 30.986 -1.546 17780 39 1 . 1 1 10 10 TRP H H 99 8.086 8.086 8.613 -0.527 17780 40 1 . 1 1 11 11 ASN N N 100 120.591 120.591 121.331 -0.740 17780 41 1 . 1 1 11 11 ASN HA H 100 4.602 4.602 4.292 0.310 17780 42 1 . 1 1 11 11 ASN CA C 100 52.675 52.675 51.584 1.091 17780 43 1 . 1 1 11 11 ASN CB C 100 38.781 38.781 40.348 -1.567 17780 44 1 . 1 1 11 11 ASN H H 100 8.095 8.095 7.645 0.450 17780 45 1 . 1 1 12 12 LYS N N 101 122.656 122.656 120.418 2.238 17780 46 1 . 1 1 12 12 LYS HA H 101 4.435 4.435 4.109 0.326 17780 47 1 . 1 1 12 12 LYS CA C 101 54.139 54.139 54.410 -0.271 17780 48 1 . 1 1 12 12 LYS CB C 101 32.474 32.474 32.410 0.064 17780 49 1 . 1 1 12 12 LYS H H 101 7.985 7.985 7.923 0.062 17780 50 1 . 1 1 13 13 PRO HA H 102 4.425 4.425 4.381 0.044 17780 51 1 . 1 1 13 13 PRO CA C 102 63.065 63.065 63.618 -0.553 17780 52 1 . 1 1 13 13 PRO CB C 102 32.056 32.056 32.254 -0.198 17780 53 1 . 1 1 14 14 SER N N 103 116.881 116.881 113.796 3.085 17780 54 1 . 1 1 14 14 SER HA H 103 4.430 4.430 4.552 -0.122 17780 55 1 . 1 1 14 14 SER CA C 103 57.973 57.973 57.868 0.105 17780 56 1 . 1 1 14 14 SER CB C 103 63.669 63.669 64.331 -0.662 17780 57 1 . 1 1 14 14 SER H H 103 8.420 8.420 7.849 0.571 17780 58 1 . 1 1 15 15 LYS N N 104 124.163 124.163 121.298 2.865 17780 59 1 . 1 1 15 15 LYS HA H 104 4.620 4.620 4.666 -0.046 17780 60 1 . 1 1 15 15 LYS CA C 104 54.160 54.160 54.509 -0.349 17780 61 1 . 1 1 15 15 LYS CB C 104 32.606 32.606 32.977 -0.371 17780 62 1 . 1 1 15 15 LYS H H 104 8.321 8.321 8.359 -0.038 17780 63 1 . 1 1 16 16 PRO HA H 105 4.412 4.412 4.561 -0.149 17780 64 1 . 1 1 16 16 PRO CA C 105 63.012 63.012 62.778 0.234 17780 65 1 . 1 1 16 16 PRO CB C 105 32.152 32.152 32.508 -0.356 17780 66 1 . 1 1 17 17 LYS N N 106 122.072 122.072 119.986 2.086 17780 67 1 . 1 1 17 17 LYS HA H 106 4.338 4.338 4.604 -0.266 17780 68 1 . 1 1 17 17 LYS CA C 106 56.299 56.299 55.754 0.545 17780 69 1 . 1 1 17 17 LYS CB C 106 32.928 32.928 34.146 -1.218 17780 70 1 . 1 1 17 17 LYS H H 106 8.516 8.516 8.412 0.104 17780 71 1 . 1 1 18 18 THR N N 107 115.252 115.252 114.261 0.991 17780 72 1 . 1 1 18 18 THR HA H 107 4.323 4.323 4.557 -0.234 17780 73 1 . 1 1 18 18 THR CA C 107 61.523 61.523 61.699 -0.176 17780 74 1 . 1 1 18 18 THR CB C 107 69.778 69.778 69.734 0.044 17780 75 1 . 1 1 18 18 THR H H 107 8.133 8.133 8.416 -0.283 17780 76 1 . 1 1 19 19 ASN N N 108 121.344 121.344 121.692 -0.348 17780 77 1 . 1 1 19 19 ASN HA H 108 4.712 4.712 4.916 -0.204 17780 78 1 . 1 1 19 19 ASN CA C 108 53.019 53.019 52.915 0.104 17780 79 1 . 1 1 19 19 ASN CB C 108 38.728 38.728 39.417 -0.689 17780 80 1 . 1 1 19 19 ASN H H 108 8.537 8.537 8.623 -0.086 17780 81 1 . 1 1 20 20 MET N N 109 121.309 121.309 119.104 2.205 17780 82 1 . 1 1 20 20 MET HA H 109 4.437 4.437 4.633 -0.196 17780 83 1 . 1 1 20 20 MET CA C 109 55.446 55.446 55.285 0.161 17780 84 1 . 1 1 20 20 MET CB C 109 32.809 32.809 33.412 -0.603 17780 85 1 . 1 1 20 20 MET H H 109 8.346 8.346 8.137 0.209 17780 86 1 . 1 1 21 21 LYS N N 110 122.292 122.292 121.588 0.704 17780 87 1 . 1 1 21 21 LYS HA H 110 4.237 4.237 4.465 -0.229 17780 88 1 . 1 1 21 21 LYS CA C 110 56.394 56.394 56.082 0.312 17780 89 1 . 1 1 21 21 LYS CB C 110 32.923 32.923 33.732 -0.809 17780 90 1 . 1 1 21 21 LYS H H 110 8.300 8.300 8.457 -0.157 17780 91 1 . 1 1 22 22 HIS N N 111 120.193 120.193 120.823 -0.630 17780 92 1 . 1 1 22 22 HIS HA H 111 4.642 4.642 4.824 -0.182 17780 93 1 . 1 1 22 22 HIS CA C 111 55.391 55.391 55.459 -0.068 17780 94 1 . 1 1 22 22 HIS CB C 111 29.501 29.501 31.282 -1.781 17780 95 1 . 1 1 22 22 HIS H H 111 8.406 8.406 8.368 0.038 17780 96 1 . 1 1 23 23 MET N N 112 122.529 122.529 121.595 0.934 17780 97 1 . 1 1 23 23 MET HA H 112 4.464 4.464 4.852 -0.388 17780 98 1 . 1 1 23 23 MET CA C 112 55.125 55.125 54.884 0.241 17780 99 1 . 1 1 23 23 MET CB C 112 32.930 32.930 34.557 -1.627 17780 100 1 . 1 1 23 23 MET H H 112 8.326 8.326 8.563 -0.237 17780 101 1 . 1 1 24 24 ALA N N 113 125.642 125.642 123.529 2.113 17780 102 1 . 1 1 24 24 ALA HA H 113 4.315 4.315 4.874 -0.559 17780 103 1 . 1 1 24 24 ALA CA C 113 52.521 52.521 51.961 0.560 17780 104 1 . 1 1 24 24 ALA CB C 113 19.181 19.181 20.510 -1.329 17780 105 1 . 1 1 24 24 ALA H H 113 8.370 8.370 8.701 -0.331 17780 106 1 . 1 1 25 25 GLY N N 114 108.473 108.473 107.606 0.867 17780 107 1 . 1 1 25 25 GLY CA C 114 45.175 45.175 45.321 -0.146 17780 108 1 . 1 1 25 25 GLY H H 114 8.373 8.373 9.004 -0.631 17780 109 1 . 1 1 26 26 ALA N N 115 123.872 123.872 122.742 1.130 17780 110 1 . 1 1 26 26 ALA HA H 115 4.316 4.316 4.696 -0.380 17780 111 1 . 1 1 26 26 ALA CA C 115 52.496 52.496 52.220 0.276 17780 112 1 . 1 1 26 26 ALA CB C 115 19.181 19.181 20.037 -0.856 17780 113 1 . 1 1 26 26 ALA H H 115 8.134 8.134 8.422 -0.288 17780 114 1 . 1 1 27 27 ALA N N 116 123.172 123.172 123.147 0.025 17780 115 1 . 1 1 27 27 ALA HA H 116 4.287 4.287 4.582 -0.295 17780 116 1 . 1 1 27 27 ALA CA C 116 52.464 52.464 52.095 0.369 17780 117 1 . 1 1 27 27 ALA CB C 116 19.180 19.180 19.454 -0.274 17780 118 1 . 1 1 27 27 ALA H H 116 8.268 8.268 8.467 -0.199 17780 119 1 . 1 1 28 28 ALA N N 117 123.253 123.253 122.843 0.410 17780 120 1 . 1 1 28 28 ALA HA H 117 4.277 4.277 4.791 -0.514 17780 121 1 . 1 1 28 28 ALA CA C 117 52.383 52.383 52.063 0.320 17780 122 1 . 1 1 28 28 ALA CB C 117 19.156 19.156 19.995 -0.838 17780 123 1 . 1 1 28 28 ALA H H 117 8.169 8.169 8.636 -0.467 17780 124 1 . 1 1 29 29 ALA N N 118 123.225 123.225 123.543 -0.318 17780 125 1 . 1 1 29 29 ALA HA H 118 4.282 4.282 4.585 -0.303 17780 126 1 . 1 1 29 29 ALA CA C 118 52.469 52.469 51.844 0.626 17780 127 1 . 1 1 29 29 ALA CB C 118 19.129 19.129 19.898 -0.769 17780 128 1 . 1 1 29 29 ALA H H 118 8.204 8.204 8.379 -0.175 17780 129 1 . 1 1 30 30 GLY N N 119 107.906 107.906 109.447 -1.541 17780 130 1 . 1 1 30 30 GLY CA C 119 45.089 45.089 45.309 -0.220 17780 131 1 . 1 1 30 30 GLY H H 119 8.271 8.271 8.529 -0.258 17780 132 1 . 1 1 31 31 ALA N N 120 123.540 123.540 124.756 -1.216 17780 133 1 . 1 1 31 31 ALA HA H 120 4.339 4.339 4.455 -0.116 17780 134 1 . 1 1 31 31 ALA CA C 120 52.282 52.282 52.339 -0.056 17780 135 1 . 1 1 31 31 ALA CB C 120 19.432 19.432 19.413 0.018 17780 136 1 . 1 1 31 31 ALA H H 120 8.039 8.039 7.772 0.267 17780 137 1 . 1 1 32 32 VAL N N 121 119.579 119.579 113.841 5.738 17780 138 1 . 1 1 32 32 VAL HA H 121 4.117 4.117 3.768 0.349 17780 139 1 . 1 1 32 32 VAL CA C 121 62.142 62.142 63.301 -1.159 17780 140 1 . 1 1 32 32 VAL CB C 121 32.673 32.673 29.875 2.798 17780 141 1 . 1 1 32 32 VAL H H 121 8.109 8.109 8.675 -0.566 17780 142 1 . 1 1 33 33 VAL N N 122 124.655 124.655 121.472 3.183 17780 143 1 . 1 1 33 33 VAL HA H 122 4.081 4.081 3.941 0.140 17780 144 1 . 1 1 33 33 VAL CA C 122 62.430 62.430 64.095 -1.665 17780 145 1 . 1 1 33 33 VAL CB C 122 32.675 32.675 31.682 0.993 17780 146 1 . 1 1 33 33 VAL H H 122 8.262 8.262 7.390 0.872 17780 147 1 . 1 1 34 34 GLY N N 123 113.165 113.165 111.739 1.426 17780 148 1 . 1 1 34 34 GLY CA C 123 45.264 45.264 45.171 0.093 17780 149 1 . 1 1 34 34 GLY H H 123 8.528 8.528 8.682 -0.154 17780 150 1 . 1 1 35 35 GLY N N 124 108.440 108.440 108.718 -0.278 17780 151 1 . 1 1 35 35 GLY CA C 124 45.264 45.264 45.343 -0.079 17780 152 1 . 1 1 35 35 GLY H H 124 8.245 8.245 8.136 0.109 17780 153 1 . 1 1 36 36 LEU N N 125 121.679 121.679 120.947 0.732 17780 154 1 . 1 1 36 36 LEU HA H 125 4.340 4.340 4.422 -0.082 17780 155 1 . 1 1 36 36 LEU CA C 125 54.808 54.808 55.673 -0.865 17780 156 1 . 1 1 36 36 LEU CB C 125 42.417 42.417 42.601 -0.184 17780 157 1 . 1 1 36 36 LEU H H 125 8.233 8.233 7.682 0.551 17780 158 1 . 1 1 37 37 GLY N N 126 109.818 109.818 106.978 2.840 17780 159 1 . 1 1 37 37 GLY CA C 126 46.266 46.266 45.845 0.421 17780 160 1 . 1 1 37 37 GLY H H 126 8.511 8.511 8.548 -0.037 17780 161 1 . 1 1 38 38 GLY N N 127 109.485 109.485 108.685 0.800 17780 162 1 . 1 1 38 38 GLY CA C 127 45.029 45.029 45.053 -0.024 17780 163 1 . 1 1 38 38 GLY H H 127 8.374 8.374 7.834 0.540 17780 164 1 . 1 1 39 39 TYR N N 128 117.683 117.683 120.666 -2.983 17780 165 1 . 1 1 39 39 TYR HA H 128 4.501 4.501 4.651 -0.150 17780 166 1 . 1 1 39 39 TYR CA C 128 58.050 58.050 57.187 0.863 17780 167 1 . 1 1 39 39 TYR CB C 128 40.362 40.362 40.639 -0.277 17780 168 1 . 1 1 39 39 TYR H H 128 7.746 7.746 8.025 -0.279 17780 169 1 . 1 1 40 40 MET N N 129 120.902 120.902 116.969 3.933 17780 170 1 . 1 1 40 40 MET HA H 129 4.534 4.534 4.659 -0.125 17780 171 1 . 1 1 40 40 MET CA C 129 53.516 53.516 53.563 -0.047 17780 172 1 . 1 1 40 40 MET CB C 129 34.851 34.851 36.865 -2.014 17780 173 1 . 1 1 40 40 MET H H 129 9.005 9.005 8.687 0.318 17780 174 1 . 1 1 41 41 LEU N N 130 121.514 121.514 115.490 6.024 17780 175 1 . 1 1 41 41 LEU HA H 130 4.464 4.464 5.184 -0.720 17780 176 1 . 1 1 41 41 LEU CA C 130 53.359 53.359 52.783 0.576 17780 177 1 . 1 1 41 41 LEU CB C 130 43.482 43.482 44.769 -1.287 17780 178 1 . 1 1 41 41 LEU H H 130 8.034 8.034 8.145 -0.111 17780 179 1 . 1 1 42 42 GLY N N 131 114.895 114.895 107.998 6.897 17780 180 1 . 1 1 42 42 GLY CA C 131 44.698 44.698 44.859 -0.161 17780 181 1 . 1 1 42 42 GLY H H 131 9.375 9.375 8.628 0.748 17780 182 1 . 1 1 43 43 SER N N 132 113.692 113.692 117.610 -3.918 17780 183 1 . 1 1 43 43 SER HA H 132 4.429 4.429 4.410 0.018 17780 184 1 . 1 1 43 43 SER CA C 132 58.191 58.191 58.956 -0.765 17780 185 1 . 1 1 43 43 SER CB C 132 63.938 63.938 63.636 0.302 17780 186 1 . 1 1 43 43 SER H H 132 8.345 8.345 8.323 0.022 17780 187 1 . 1 1 44 44 ALA N N 133 125.505 125.505 123.260 2.245 17780 188 1 . 1 1 44 44 ALA HA H 133 4.437 4.437 4.606 -0.169 17780 189 1 . 1 1 44 44 ALA CA C 133 52.936 52.936 51.927 1.009 17780 190 1 . 1 1 44 44 ALA CB C 133 18.412 18.412 20.855 -2.443 17780 191 1 . 1 1 44 44 ALA H H 133 8.735 8.735 8.107 0.628 17780 192 1 . 1 1 45 45 MET N N 134 120.707 120.707 121.378 -0.671 17780 193 1 . 1 1 45 45 MET HA H 134 4.756 4.756 4.938 -0.182 17780 194 1 . 1 1 45 45 MET CA C 134 54.242 54.242 54.576 -0.334 17780 195 1 . 1 1 45 45 MET CB C 134 36.727 36.727 35.375 1.352 17780 196 1 . 1 1 45 45 MET H H 134 8.686 8.686 8.571 0.115 17780 197 1 . 1 1 46 46 SER N N 135 116.235 116.235 116.372 -0.137 17780 198 1 . 1 1 46 46 SER HA H 135 4.375 4.375 4.481 -0.106 17780 199 1 . 1 1 46 46 SER CA C 135 58.410 58.410 58.420 -0.010 17780 200 1 . 1 1 46 46 SER CB C 135 63.016 63.016 63.830 -0.814 17780 201 1 . 1 1 46 46 SER H H 135 8.397 8.397 8.350 0.047 17780 202 1 . 1 1 47 47 ARG N N 136 126.632 126.632 123.639 2.993 17780 203 1 . 1 1 47 47 ARG HA H 136 4.406 4.406 4.684 -0.278 17780 204 1 . 1 1 47 47 ARG CA C 136 54.783 54.783 53.737 1.046 17780 205 1 . 1 1 47 47 ARG CB C 136 29.040 29.040 29.835 -0.795 17780 206 1 . 1 1 47 47 ARG H H 136 8.668 8.668 8.653 0.015 17780 207 1 . 1 1 48 48 PRO HA H 137 4.422 4.422 4.591 -0.169 17780 208 1 . 1 1 48 48 PRO CA C 137 62.327 62.327 62.516 -0.189 17780 209 1 . 1 1 48 48 PRO CB C 137 32.269 32.269 32.626 -0.357 17780 210 1 . 1 1 49 49 ILE N N 138 122.521 122.521 120.490 2.031 17780 211 1 . 1 1 49 49 ILE HA H 138 4.148 4.148 4.111 0.037 17780 212 1 . 1 1 49 49 ILE CA C 138 60.916 60.916 60.648 0.268 17780 213 1 . 1 1 49 49 ILE CB C 138 36.234 36.234 38.989 -2.755 17780 214 1 . 1 1 49 49 ILE H H 138 8.603 8.603 8.117 0.486 17780 215 1 . 1 1 50 50 ILE N N 139 126.683 126.683 126.002 0.681 17780 216 1 . 1 1 50 50 ILE HA H 139 3.927 3.927 3.792 0.135 17780 217 1 . 1 1 50 50 ILE CA C 139 58.700 58.700 58.566 0.134 17780 218 1 . 1 1 50 50 ILE CB C 139 39.345 39.345 40.923 -1.578 17780 219 1 . 1 1 50 50 ILE H H 139 6.514 6.514 7.955 -1.441 17780 220 1 . 1 1 51 51 HIS N N 140 121.997 121.997 121.605 0.392 17780 221 1 . 1 1 51 51 HIS HA H 140 4.918 4.918 4.582 0.336 17780 222 1 . 1 1 51 51 HIS CA C 140 54.065 54.065 54.912 -0.847 17780 223 1 . 1 1 51 51 HIS CB C 140 29.466 29.466 27.949 1.517 17780 224 1 . 1 1 51 51 HIS H H 140 8.203 8.203 7.433 0.770 17780 225 1 . 1 1 52 52 PHE N N 141 124.334 124.334 123.779 0.555 17780 226 1 . 1 1 52 52 PHE HA H 141 4.348 4.348 4.493 -0.145 17780 227 1 . 1 1 52 52 PHE CA C 141 59.251 59.251 58.958 0.293 17780 228 1 . 1 1 52 52 PHE CB C 141 41.448 41.448 39.942 1.506 17780 229 1 . 1 1 52 52 PHE H H 141 10.160 10.160 8.570 1.590 17780 230 1 . 1 1 53 53 GLY N N 142 108.368 108.368 105.375 2.993 17780 231 1 . 1 1 53 53 GLY CA C 142 45.516 45.516 45.539 -0.023 17780 232 1 . 1 1 53 53 GLY H H 142 8.984 8.984 8.007 0.977 17780 233 1 . 1 1 54 54 SER N N 143 111.819 111.819 114.767 -2.948 17780 234 1 . 1 1 54 54 SER HA H 143 4.810 4.810 4.596 0.214 17780 235 1 . 1 1 54 54 SER CA C 143 56.498 56.498 56.943 -0.445 17780 236 1 . 1 1 54 54 SER CB C 143 65.964 65.964 64.719 1.245 17780 237 1 . 1 1 54 54 SER H H 143 7.334 7.334 7.580 -0.246 17780 238 1 . 1 1 55 55 ASP N N 144 124.249 124.249 122.722 1.527 17780 239 1 . 1 1 55 55 ASP HA H 144 4.500 4.500 4.516 -0.016 17780 240 1 . 1 1 55 55 ASP CA C 144 57.493 57.493 57.301 0.192 17780 241 1 . 1 1 55 55 ASP CB C 144 40.664 40.664 40.778 -0.114 17780 242 1 . 1 1 55 55 ASP H H 144 9.014 9.014 8.687 0.327 17780 243 1 . 1 1 56 56 TYR N N 145 118.991 118.991 115.449 3.542 17780 244 1 . 1 1 56 56 TYR HA H 145 4.196 4.196 4.490 -0.294 17780 245 1 . 1 1 56 56 TYR CA C 145 61.351 61.351 59.572 1.779 17780 246 1 . 1 1 56 56 TYR CB C 145 38.075 38.075 37.305 0.770 17780 247 1 . 1 1 56 56 TYR H H 145 8.551 8.551 7.623 0.928 17780 248 1 . 1 1 57 57 GLU N N 146 119.217 119.217 120.421 -1.204 17780 249 1 . 1 1 57 57 GLU HA H 146 3.563 3.563 4.472 -0.909 17780 250 1 . 1 1 57 57 GLU CA C 146 59.921 59.921 59.278 0.643 17780 251 1 . 1 1 57 57 GLU CB C 146 30.297 30.297 29.691 0.606 17780 252 1 . 1 1 57 57 GLU H H 146 7.741 7.741 7.646 0.095 17780 253 1 . 1 1 58 58 ASP N N 147 119.565 119.565 119.811 -0.246 17780 254 1 . 1 1 58 58 ASP HA H 147 4.498 4.498 4.714 -0.216 17780 255 1 . 1 1 58 58 ASP CA C 147 58.185 58.185 57.238 0.947 17780 256 1 . 1 1 58 58 ASP CB C 147 40.598 40.598 40.794 -0.197 17780 257 1 . 1 1 58 58 ASP H H 147 8.139 8.139 8.335 -0.196 17780 258 1 . 1 1 59 59 ARG N N 148 120.296 120.296 118.731 1.565 17780 259 1 . 1 1 59 59 ARG HA H 148 4.004 4.004 4.165 -0.161 17780 260 1 . 1 1 59 59 ARG CA C 148 59.393 59.393 58.739 0.654 17780 261 1 . 1 1 59 59 ARG CB C 148 29.910 29.910 29.907 0.003 17780 262 1 . 1 1 59 59 ARG H H 148 8.181 8.181 7.898 0.283 17780 263 1 . 1 1 60 60 TYR N N 149 121.152 121.152 122.155 -1.003 17780 264 1 . 1 1 60 60 TYR HA H 149 3.819 3.819 4.349 -0.530 17780 265 1 . 1 1 60 60 TYR CA C 149 62.195 62.195 59.587 2.608 17780 266 1 . 1 1 60 60 TYR CB C 149 37.808 37.808 38.200 -0.392 17780 267 1 . 1 1 60 60 TYR H H 149 8.333 8.333 7.634 0.699 17780 268 1 . 1 1 61 61 TYR N N 150 120.365 120.365 121.028 -0.663 17780 269 1 . 1 1 61 61 TYR HA H 150 4.122 4.122 3.448 0.674 17780 270 1 . 1 1 61 61 TYR CA C 150 62.969 62.969 60.646 2.323 17780 271 1 . 1 1 61 61 TYR CB C 150 38.207 38.207 37.905 0.302 17780 272 1 . 1 1 61 61 TYR H H 150 8.942 8.942 8.163 0.779 17780 273 1 . 1 1 62 62 ARG N N 151 117.982 117.982 116.460 1.522 17780 274 1 . 1 1 62 62 ARG HA H 151 3.938 3.938 3.431 0.507 17780 275 1 . 1 1 62 62 ARG CA C 151 59.940 59.940 58.347 1.593 17780 276 1 . 1 1 62 62 ARG CB C 151 29.731 29.731 29.658 0.073 17780 277 1 . 1 1 62 62 ARG H H 151 7.938 7.938 7.467 0.471 17780 278 1 . 1 1 63 63 GLU N N 152 116.389 116.389 118.608 -2.219 17780 279 1 . 1 1 63 63 GLU HA H 152 4.059 4.059 4.051 0.008 17780 280 1 . 1 1 63 63 GLU CA C 152 57.990 57.990 59.010 -1.020 17780 281 1 . 1 1 63 63 GLU CB C 152 29.915 29.915 29.512 0.403 17780 282 1 . 1 1 63 63 GLU H H 152 8.068 8.068 7.795 0.273 17780 283 1 . 1 1 64 64 ASN N N 153 114.690 114.690 115.843 -1.153 17780 284 1 . 1 1 64 64 ASN HA H 153 4.406 4.406 4.405 0.001 17780 285 1 . 1 1 64 64 ASN CA C 153 54.814 54.814 53.766 1.048 17780 286 1 . 1 1 64 64 ASN CB C 153 41.178 41.178 37.970 3.208 17780 287 1 . 1 1 64 64 ASN H H 153 7.525 7.525 7.485 0.040 17780 288 1 . 1 1 65 65 MET N N 154 119.058 119.058 121.504 -2.446 17780 289 1 . 1 1 65 65 MET HA H 154 3.417 3.417 3.537 -0.120 17780 290 1 . 1 1 65 65 MET CA C 154 59.193 59.193 58.561 0.632 17780 291 1 . 1 1 65 65 MET CB C 154 30.258 30.258 31.773 -1.515 17780 292 1 . 1 1 65 65 MET H H 154 7.993 7.993 7.245 0.748 17780 293 1 . 1 1 66 66 HIS N N 155 116.083 116.083 116.461 -0.378 17780 294 1 . 1 1 66 66 HIS HA H 155 4.208 4.208 4.297 -0.089 17780 295 1 . 1 1 66 66 HIS CA C 155 57.382 57.382 58.665 -1.283 17780 296 1 . 1 1 66 66 HIS CB C 155 28.955 28.955 29.542 -0.587 17780 297 1 . 1 1 66 66 HIS H H 155 7.988 7.988 7.666 0.322 17780 298 1 . 1 1 67 67 ARG N N 156 118.993 118.993 117.063 1.930 17780 299 1 . 1 1 67 67 ARG HA H 156 4.133 4.133 4.345 -0.212 17780 300 1 . 1 1 67 67 ARG CA C 156 56.135 56.135 56.673 -0.538 17780 301 1 . 1 1 67 67 ARG CB C 156 30.521 30.521 30.655 -0.134 17780 302 1 . 1 1 67 67 ARG H H 156 7.488 7.488 7.469 0.020 17780 303 1 . 1 1 68 68 TYR N N 157 121.321 121.321 119.254 2.067 17780 304 1 . 1 1 68 68 TYR HA H 157 4.991 4.991 4.775 0.216 17780 305 1 . 1 1 68 68 TYR CA C 157 52.644 52.644 53.850 -1.206 17780 306 1 . 1 1 68 68 TYR CB C 157 34.873 34.873 37.858 -2.985 17780 307 1 . 1 1 68 68 TYR H H 157 7.433 7.433 7.379 0.054 17780 308 1 . 1 1 69 69 PRO HA H 158 4.338 4.338 4.435 -0.097 17780 309 1 . 1 1 69 69 PRO CA C 158 63.651 63.651 62.608 1.043 17780 310 1 . 1 1 69 69 PRO CB C 158 32.005 32.005 33.123 -1.118 17780 311 1 . 1 1 70 70 ASN N N 159 116.696 116.696 116.884 -0.188 17780 312 1 . 1 1 70 70 ASN HA H 159 4.690 4.690 4.644 0.046 17780 313 1 . 1 1 70 70 ASN CA C 159 51.997 51.997 53.449 -1.452 17780 314 1 . 1 1 70 70 ASN CB C 159 38.375 38.375 39.236 -0.861 17780 315 1 . 1 1 70 70 ASN H H 159 8.673 8.673 8.598 0.075 17780 316 1 . 1 1 71 71 GLN N N 160 114.313 114.313 117.306 -2.993 17780 317 1 . 1 1 71 71 GLN HA H 160 4.523 4.523 4.668 -0.144 17780 318 1 . 1 1 71 71 GLN CA C 160 54.286 54.286 54.482 -0.196 17780 319 1 . 1 1 71 71 GLN CB C 160 32.975 32.975 32.617 0.358 17780 320 1 . 1 1 71 71 GLN H H 160 7.319 7.319 7.652 -0.333 17780 321 1 . 1 1 72 72 VAL N N 161 112.569 112.569 115.159 -2.590 17780 322 1 . 1 1 72 72 VAL HA H 161 4.927 4.927 4.512 0.415 17780 323 1 . 1 1 72 72 VAL CA C 161 58.651 58.651 60.299 -1.648 17780 324 1 . 1 1 72 72 VAL CB C 161 33.812 33.812 34.137 -0.325 17780 325 1 . 1 1 72 72 VAL H H 161 8.477 8.477 8.222 0.255 17780 326 1 . 1 1 73 73 TYR N N 162 121.525 121.525 124.223 -2.698 17780 327 1 . 1 1 73 73 TYR HA H 162 5.507 5.507 5.395 0.112 17780 328 1 . 1 1 73 73 TYR CA C 162 57.133 57.133 56.027 1.106 17780 329 1 . 1 1 73 73 TYR CB C 162 41.970 41.970 41.504 0.466 17780 330 1 . 1 1 73 73 TYR H H 162 8.490 8.490 8.627 -0.137 17780 331 1 . 1 1 74 74 TYR N N 163 111.081 111.081 119.637 -8.556 17780 332 1 . 1 1 74 74 TYR HA H 163 4.758 4.758 5.187 -0.429 17780 333 1 . 1 1 74 74 TYR CA C 163 55.367 55.367 56.682 -1.315 17780 334 1 . 1 1 74 74 TYR CB C 163 40.401 40.401 40.165 0.236 17780 335 1 . 1 1 74 74 TYR H H 163 8.593 8.593 8.666 -0.073 17780 336 1 . 1 1 76 76 PRO HA H 165 4.490 4.490 4.447 0.043 17780 337 1 . 1 1 76 76 PRO CA C 165 62.967 62.967 63.339 -0.372 17780 338 1 . 1 1 76 76 PRO CB C 165 32.372 32.372 32.349 0.023 17780 339 1 . 1 1 77 77 MET N N 166 121.408 121.408 116.929 4.479 17780 340 1 . 1 1 77 77 MET HA H 166 4.438 4.438 3.989 0.449 17780 341 1 . 1 1 77 77 MET CA C 166 57.081 57.081 55.349 1.732 17780 342 1 . 1 1 77 77 MET CB C 166 32.165 32.165 31.043 1.122 17780 343 1 . 1 1 77 77 MET H H 166 9.013 9.013 8.386 0.627 17780 344 1 . 1 1 78 78 ASP N N 167 119.933 119.933 119.905 0.028 17780 345 1 . 1 1 78 78 ASP HA H 167 4.754 4.754 4.670 0.084 17780 346 1 . 1 1 78 78 ASP CA C 167 52.485 52.485 54.331 -1.846 17780 347 1 . 1 1 78 78 ASP CB C 167 38.802 38.802 41.740 -2.938 17780 348 1 . 1 1 78 78 ASP H H 167 8.176 8.176 8.077 0.099 17780 349 1 . 1 1 79 79 GLU N N 168 116.934 116.934 118.145 -1.211 17780 350 1 . 1 1 79 79 GLU HA H 168 4.308 4.308 4.140 0.168 17780 351 1 . 1 1 79 79 GLU CA C 168 58.638 58.638 56.908 1.730 17780 352 1 . 1 1 79 79 GLU CB C 168 29.185 29.185 29.888 -0.703 17780 353 1 . 1 1 79 79 GLU H H 168 8.332 8.332 8.250 0.082 17780 354 1 . 1 1 81 81 SER N N 170 116.603 116.603 115.842 0.761 17780 355 1 . 1 1 81 81 SER HA H 170 4.374 4.374 4.291 0.083 17780 356 1 . 1 1 81 81 SER CA C 170 58.475 58.475 58.210 0.265 17780 357 1 . 1 1 81 81 SER CB C 170 63.677 63.677 63.077 0.600 17780 358 1 . 1 1 81 81 SER H H 170 8.560 8.560 8.043 0.516 17780 359 1 . 1 1 83 83 GLN N N 172 120.404 120.404 118.892 1.512 17780 360 1 . 1 1 83 83 GLN HA H 172 4.750 4.750 4.553 0.197 17780 361 1 . 1 1 83 83 GLN CA C 172 59.899 59.899 55.045 4.854 17780 362 1 . 1 1 83 83 GLN CB C 172 29.023 29.023 31.310 -2.287 17780 363 1 . 1 1 83 83 GLN H H 172 8.635 8.635 7.989 0.646 17780 364 1 . 1 1 84 84 ASN N N 173 116.470 116.470 120.848 -4.378 17780 365 1 . 1 1 84 84 ASN HA H 173 4.237 4.237 4.276 -0.039 17780 366 1 . 1 1 84 84 ASN CA C 173 56.470 56.470 55.775 0.695 17780 367 1 . 1 1 84 84 ASN CB C 173 37.812 37.812 38.429 -0.617 17780 368 1 . 1 1 84 84 ASN H H 173 8.352 8.352 8.959 -0.607 17780 369 1 . 1 1 85 85 ASN N N 174 118.500 118.500 118.686 -0.186 17780 370 1 . 1 1 85 85 ASN HA H 174 4.534 4.534 4.452 0.082 17780 371 1 . 1 1 85 85 ASN CA C 174 55.905 55.905 55.205 0.700 17780 372 1 . 1 1 85 85 ASN CB C 174 37.760 37.760 38.010 -0.250 17780 373 1 . 1 1 85 85 ASN H H 174 8.602 8.602 8.406 0.196 17780 374 1 . 1 1 86 86 PHE CB C 175 39.641 39.641 38.251 1.390 17780 375 1 . 1 1 87 87 VAL N N 176 120.134 120.134 120.680 -0.546 17780 376 1 . 1 1 87 87 VAL HA H 176 3.564 3.564 2.637 0.927 17780 377 1 . 1 1 87 87 VAL CA C 176 67.737 67.737 65.584 2.153 17780 378 1 . 1 1 87 87 VAL CB C 176 31.951 31.951 30.453 1.498 17780 379 1 . 1 1 87 87 VAL H H 176 9.002 9.002 7.269 1.733 17780 380 1 . 1 1 88 88 HIS N N 177 117.217 117.217 118.459 -1.242 17780 381 1 . 1 1 88 88 HIS HA H 177 4.304 4.304 4.133 0.171 17780 382 1 . 1 1 88 88 HIS CA C 177 59.781 59.781 59.634 0.147 17780 383 1 . 1 1 88 88 HIS CB C 177 28.264 28.264 29.714 -1.450 17780 384 1 . 1 1 88 88 HIS H H 177 8.330 8.330 7.873 0.457 17780 385 1 . 1 1 89 89 ASP N N 178 118.497 118.497 119.282 -0.785 17780 386 1 . 1 1 89 89 ASP HA H 178 4.500 4.500 4.576 -0.076 17780 387 1 . 1 1 89 89 ASP CA C 178 57.423 57.423 56.530 0.893 17780 388 1 . 1 1 89 89 ASP CB C 178 41.792 41.792 41.095 0.697 17780 389 1 . 1 1 89 89 ASP H H 178 7.696 7.696 7.866 -0.170 17780 390 1 . 1 1 90 90 CYS N N 179 119.012 119.012 120.424 -1.412 17780 391 1 . 1 1 90 90 CYS HA H 179 4.753 4.753 4.315 0.438 17780 392 1 . 1 1 90 90 CYS CA C 179 58.466 58.466 62.211 -3.745 17780 393 1 . 1 1 90 90 CYS CB C 179 40.758 40.758 25.775 14.983 17780 394 1 . 1 1 90 90 CYS H H 179 8.037 8.037 7.611 0.426 17780 395 1 . 1 1 91 91 VAL N N 180 125.063 125.063 120.464 4.599 17780 396 1 . 1 1 91 91 VAL HA H 180 3.667 3.667 3.613 0.054 17780 397 1 . 1 1 91 91 VAL CA C 180 66.293 66.293 66.605 -0.312 17780 398 1 . 1 1 91 91 VAL CB C 180 32.028 32.028 31.634 0.394 17780 399 1 . 1 1 91 91 VAL H H 180 9.212 9.212 8.552 0.660 17780 400 1 . 1 1 92 92 ASN N N 181 116.153 116.153 119.091 -2.938 17780 401 1 . 1 1 92 92 ASN HA H 181 4.311 4.311 4.425 -0.114 17780 402 1 . 1 1 92 92 ASN CA C 181 56.622 56.622 56.312 0.311 17780 403 1 . 1 1 92 92 ASN CB C 181 38.749 38.749 38.190 0.559 17780 404 1 . 1 1 92 92 ASN H H 181 7.626 7.626 7.523 0.103 17780 405 1 . 1 1 93 93 ILE N N 182 118.637 118.637 119.897 -1.260 17780 406 1 . 1 1 93 93 ILE HA H 182 3.787 3.787 3.728 0.059 17780 407 1 . 1 1 93 93 ILE CA C 182 62.078 62.078 64.015 -1.938 17780 408 1 . 1 1 93 93 ILE CB C 182 36.535 36.535 36.458 0.077 17780 409 1 . 1 1 93 93 ILE H H 182 8.610 8.610 8.610 -0.000 17780 410 1 . 1 1 94 94 THR N N 183 118.229 118.229 117.716 0.513 17780 411 1 . 1 1 94 94 THR HA H 183 4.097 4.097 4.041 0.056 17780 412 1 . 1 1 94 94 THR CA C 183 68.834 68.834 67.395 1.439 17780 413 1 . 1 1 94 94 THR CB C 183 68.258 68.258 68.668 -0.410 17780 414 1 . 1 1 94 94 THR H H 183 8.140 8.140 8.157 -0.017 17780 415 1 . 1 1 95 95 ILE N N 184 120.906 120.906 121.459 -0.553 17780 416 1 . 1 1 95 95 ILE HA H 184 3.666 3.666 3.893 -0.227 17780 417 1 . 1 1 95 95 ILE CA C 184 66.259 66.259 63.287 2.972 17780 418 1 . 1 1 95 95 ILE CB C 184 36.824 36.824 37.901 -1.077 17780 419 1 . 1 1 95 95 ILE H H 184 8.450 8.450 7.880 0.570 17780 420 1 . 1 1 96 96 LYS N N 185 123.208 123.208 121.417 1.791 17780 421 1 . 1 1 96 96 LYS HA H 185 4.067 4.067 3.842 0.225 17780 422 1 . 1 1 96 96 LYS CA C 185 59.987 59.987 60.226 -0.239 17780 423 1 . 1 1 96 96 LYS CB C 185 32.119 32.119 32.160 -0.041 17780 424 1 . 1 1 96 96 LYS H H 185 8.067 8.067 8.397 -0.330 17780 425 1 . 1 1 97 97 GLN N N 186 116.879 116.879 118.165 -1.286 17780 426 1 . 1 1 97 97 GLN HA H 186 4.059 4.059 3.983 0.076 17780 427 1 . 1 1 97 97 GLN CA C 186 58.010 58.010 58.890 -0.880 17780 428 1 . 1 1 97 97 GLN CB C 186 27.982 27.982 28.206 -0.224 17780 429 1 . 1 1 97 97 GLN H H 186 8.493 8.493 8.375 0.118 17780 430 1 . 1 1 98 98 HIS N N 187 119.676 119.676 121.439 -1.763 17780 431 1 . 1 1 98 98 HIS HA H 187 4.579 4.579 4.418 0.161 17780 432 1 . 1 1 98 98 HIS CA C 187 59.465 59.465 59.408 0.057 17780 433 1 . 1 1 98 98 HIS CB C 187 31.628 31.628 29.759 1.869 17780 434 1 . 1 1 98 98 HIS H H 187 8.435 8.435 7.686 0.749 17780 435 1 . 1 1 99 99 THR N N 188 114.500 114.500 115.586 -1.086 17780 436 1 . 1 1 99 99 THR HA H 188 4.090 4.090 3.756 0.334 17780 437 1 . 1 1 99 99 THR CA C 188 66.210 66.210 65.668 0.542 17780 438 1 . 1 1 99 99 THR CB C 188 68.800 68.800 68.439 0.361 17780 439 1 . 1 1 99 99 THR H H 188 8.440 8.440 8.345 0.095 17780 440 1 . 1 1 100 100 VAL N N 189 122.934 122.934 120.799 2.135 17780 441 1 . 1 1 100 100 VAL HA H 189 3.838 3.838 3.789 0.049 17780 442 1 . 1 1 100 100 VAL CA C 189 65.832 65.832 65.587 0.245 17780 443 1 . 1 1 100 100 VAL CB C 189 31.897 31.897 31.745 0.152 17780 444 1 . 1 1 100 100 VAL H H 189 8.057 8.057 7.952 0.105 17780 445 1 . 1 1 101 101 THR N N 190 115.101 115.101 112.717 2.384 17780 446 1 . 1 1 101 101 THR HA H 190 4.140 4.140 4.083 0.057 17780 447 1 . 1 1 101 101 THR CA C 190 64.907 64.907 66.245 -1.338 17780 448 1 . 1 1 101 101 THR CB C 190 69.041 69.041 68.257 0.784 17780 449 1 . 1 1 101 101 THR H H 190 8.131 8.131 7.678 0.453 17780 450 1 . 1 1 102 102 THR N N 191 114.546 114.546 119.261 -4.716 17780 451 1 . 1 1 102 102 THR HA H 191 4.092 4.092 3.852 0.240 17780 452 1 . 1 1 102 102 THR CA C 191 64.801 64.801 67.626 -2.826 17780 453 1 . 1 1 102 102 THR CB C 191 69.145 69.145 68.244 0.901 17780 454 1 . 1 1 102 102 THR H H 191 8.011 8.011 7.944 0.067 17780 455 1 . 1 1 103 103 THR N N 192 117.876 117.876 113.636 4.240 17780 456 1 . 1 1 103 103 THR HA H 192 4.373 4.373 4.662 -0.289 17780 457 1 . 1 1 103 103 THR CA C 192 64.935 64.935 65.079 -0.144 17780 458 1 . 1 1 103 103 THR CB C 192 69.043 69.043 68.471 0.572 17780 459 1 . 1 1 103 103 THR H H 192 8.224 8.224 7.593 0.631 17780 460 1 . 1 1 104 104 THR N N 193 116.232 116.232 118.168 -1.936 17780 461 1 . 1 1 104 104 THR HA H 193 4.204 4.204 4.108 0.096 17780 462 1 . 1 1 104 104 THR CA C 193 64.311 64.311 65.565 -1.254 17780 463 1 . 1 1 104 104 THR CB C 193 68.981 68.981 68.677 0.304 17780 464 1 . 1 1 104 104 THR H H 193 7.805 7.805 7.651 0.154 17780 465 1 . 1 1 105 105 LYS N N 194 119.843 119.843 118.687 1.156 17780 466 1 . 1 1 105 105 LYS HA H 194 4.384 4.384 4.395 -0.011 17780 467 1 . 1 1 105 105 LYS CA C 194 56.220 56.220 55.364 0.856 17780 468 1 . 1 1 105 105 LYS CB C 194 32.527 32.527 32.431 0.096 17780 469 1 . 1 1 105 105 LYS H H 194 7.504 7.504 7.694 -0.190 17780 470 1 . 1 1 106 106 GLY N N 195 107.946 107.946 107.814 0.132 17780 471 1 . 1 1 106 106 GLY CA C 195 45.431 45.431 45.224 0.207 17780 472 1 . 1 1 106 106 GLY H H 195 7.924 7.924 7.636 0.288 17780 473 1 . 1 1 107 107 GLU N N 196 120.063 120.063 120.052 0.011 17780 474 1 . 1 1 107 107 GLU HA H 196 4.255 4.255 4.670 -0.415 17780 475 1 . 1 1 107 107 GLU CA C 196 55.597 55.597 54.731 0.866 17780 476 1 . 1 1 107 107 GLU CB C 196 31.073 31.073 32.690 -1.617 17780 477 1 . 1 1 107 107 GLU H H 196 7.465 7.465 8.250 -0.785 17780 478 1 . 1 1 108 108 ASN N N 197 119.350 119.350 119.020 0.330 17780 479 1 . 1 1 108 108 ASN HA H 197 4.657 4.657 5.063 -0.406 17780 480 1 . 1 1 108 108 ASN CA C 197 52.673 52.673 53.154 -0.481 17780 481 1 . 1 1 108 108 ASN CB C 197 40.827 40.827 40.116 0.711 17780 482 1 . 1 1 108 108 ASN H H 197 8.458 8.458 8.567 -0.109 17780 483 1 . 1 1 109 109 PHE N N 198 121.688 121.688 120.873 0.815 17780 484 1 . 1 1 109 109 PHE HA H 198 5.317 5.317 4.861 0.456 17780 485 1 . 1 1 109 109 PHE CA C 198 56.571 56.571 56.450 0.122 17780 486 1 . 1 1 109 109 PHE CB C 198 40.093 40.093 42.603 -2.510 17780 487 1 . 1 1 109 109 PHE H H 198 8.709 8.709 8.637 0.072 17780 488 1 . 1 1 110 110 THR N N 199 115.904 115.904 115.386 0.518 17780 489 1 . 1 1 110 110 THR HA H 199 4.624 4.624 4.589 0.035 17780 490 1 . 1 1 110 110 THR CA C 199 60.343 60.343 61.179 -0.836 17780 491 1 . 1 1 110 110 THR CB C 199 72.033 72.033 70.481 1.552 17780 492 1 . 1 1 110 110 THR H H 199 9.547 9.547 8.878 0.669 17780 493 1 . 1 1 111 111 GLU N N 200 119.988 119.988 120.870 -0.882 17780 494 1 . 1 1 111 111 GLU HA H 200 4.067 4.067 4.022 0.045 17780 495 1 . 1 1 111 111 GLU CA C 200 60.027 60.027 59.810 0.217 17780 496 1 . 1 1 111 111 GLU CB C 200 28.976 28.976 28.705 0.271 17780 497 1 . 1 1 111 111 GLU H H 200 9.132 9.132 8.980 0.152 17780 498 1 . 1 1 112 112 THR N N 201 116.221 116.221 116.178 0.043 17780 499 1 . 1 1 112 112 THR HA H 201 3.796 3.796 4.110 -0.314 17780 500 1 . 1 1 112 112 THR CA C 201 66.781 66.781 66.550 0.231 17780 501 1 . 1 1 112 112 THR CB C 201 68.581 68.581 68.315 0.266 17780 502 1 . 1 1 112 112 THR H H 201 7.934 7.934 8.157 -0.223 17780 503 1 . 1 1 113 113 ASP N N 202 120.001 120.001 122.934 -2.933 17780 504 1 . 1 1 113 113 ASP HA H 202 4.598 4.598 4.593 0.005 17780 505 1 . 1 1 113 113 ASP CA C 202 57.984 57.984 58.095 -0.111 17780 506 1 . 1 1 113 113 ASP CB C 202 41.756 41.756 41.015 0.741 17780 507 1 . 1 1 113 113 ASP H H 202 7.503 7.503 8.113 -0.610 17780 508 1 . 1 1 114 114 VAL N N 203 119.529 119.529 119.558 -0.029 17780 509 1 . 1 1 114 114 VAL HA H 203 3.279 3.279 3.592 -0.313 17780 510 1 . 1 1 114 114 VAL CA C 203 67.817 67.817 66.300 1.517 17780 511 1 . 1 1 114 114 VAL CB C 203 31.528 31.528 31.443 0.085 17780 512 1 . 1 1 114 114 VAL H H 203 8.209 8.209 7.777 0.432 17780 513 1 . 1 1 115 115 LYS N N 204 119.051 119.051 120.453 -1.402 17780 514 1 . 1 1 115 115 LYS HA H 204 4.082 4.082 4.245 -0.163 17780 515 1 . 1 1 115 115 LYS CA C 204 59.268 59.268 59.405 -0.137 17780 516 1 . 1 1 115 115 LYS CB C 204 31.979 31.979 32.689 -0.710 17780 517 1 . 1 1 115 115 LYS H H 204 7.714 7.714 8.136 -0.422 17780 518 1 . 1 1 116 116 MET N N 205 118.581 118.581 116.662 1.919 17780 519 1 . 1 1 116 116 MET HA H 205 4.167 4.167 4.450 -0.283 17780 520 1 . 1 1 116 116 MET CA C 205 59.984 59.984 58.678 1.305 17780 521 1 . 1 1 116 116 MET CB C 205 32.933 32.933 33.057 -0.124 17780 522 1 . 1 1 116 116 MET H H 205 8.182 8.182 8.278 -0.096 17780 523 1 . 1 1 117 117 MET N N 206 118.259 118.259 117.857 0.402 17780 524 1 . 1 1 117 117 MET HA H 206 3.561 3.561 4.092 -0.531 17780 525 1 . 1 1 117 117 MET CA C 206 59.967 59.967 58.409 1.558 17780 526 1 . 1 1 117 117 MET CB C 206 33.824 33.824 31.739 2.085 17780 527 1 . 1 1 117 117 MET H H 206 8.691 8.691 7.872 0.819 17780 528 1 . 1 1 118 118 GLU N N 207 118.878 118.878 120.218 -1.340 17780 529 1 . 1 1 118 118 GLU HA H 207 3.658 3.658 3.895 -0.237 17780 530 1 . 1 1 118 118 GLU CA C 207 60.702 60.702 59.440 1.262 17780 531 1 . 1 1 118 118 GLU CB C 207 29.000 29.000 29.336 -0.336 17780 532 1 . 1 1 118 118 GLU H H 207 8.544 8.544 8.045 0.499 17780 533 1 . 1 1 119 119 ARG N N 208 116.694 116.694 117.731 -1.037 17780 534 1 . 1 1 119 119 ARG HA H 208 4.228 4.228 4.037 0.191 17780 535 1 . 1 1 119 119 ARG CA C 208 58.554 58.554 58.935 -0.381 17780 536 1 . 1 1 119 119 ARG CB C 208 30.136 30.136 29.842 0.294 17780 537 1 . 1 1 119 119 ARG H H 208 7.289 7.289 7.705 -0.416 17780 538 1 . 1 1 120 120 VAL N N 209 119.035 119.035 116.431 2.604 17780 539 1 . 1 1 120 120 VAL HA H 209 3.837 3.837 3.988 -0.151 17780 540 1 . 1 1 120 120 VAL CA C 209 65.766 65.766 65.441 0.325 17780 541 1 . 1 1 120 120 VAL CB C 209 32.213 32.213 31.720 0.493 17780 542 1 . 1 1 120 120 VAL H H 209 8.279 8.279 7.360 0.919 17780 543 1 . 1 1 121 121 VAL N N 210 121.668 121.668 116.829 4.840 17780 544 1 . 1 1 121 121 VAL HA H 210 3.597 3.597 3.804 -0.207 17780 545 1 . 1 1 121 121 VAL CA C 210 66.639 66.639 65.658 0.981 17780 546 1 . 1 1 121 121 VAL CB C 210 31.097 31.097 30.779 0.318 17780 547 1 . 1 1 121 121 VAL H H 210 9.183 9.183 7.657 1.526 17780 548 1 . 1 1 122 122 GLU N N 211 120.770 120.770 120.569 0.201 17780 549 1 . 1 1 122 122 GLU HA H 211 3.603 3.603 3.838 -0.235 17780 550 1 . 1 1 122 122 GLU CA C 211 61.132 61.132 60.171 0.961 17780 551 1 . 1 1 122 122 GLU CB C 211 29.153 29.153 29.071 0.082 17780 552 1 . 1 1 122 122 GLU H H 211 8.041 8.041 7.725 0.316 17780 553 1 . 1 1 123 123 GLN N N 212 114.580 114.580 117.359 -2.779 17780 554 1 . 1 1 123 123 GLN HA H 212 3.662 3.662 4.121 -0.459 17780 555 1 . 1 1 123 123 GLN CA C 212 58.509 58.509 57.809 0.700 17780 556 1 . 1 1 123 123 GLN CB C 212 27.824 27.824 28.059 -0.236 17780 557 1 . 1 1 123 123 GLN H H 212 7.096 7.096 7.842 -0.746 17780 558 1 . 1 1 124 124 MET N N 213 119.748 119.748 120.907 -1.159 17780 559 1 . 1 1 124 124 MET HA H 213 4.167 4.167 4.230 -0.063 17780 560 1 . 1 1 124 124 MET CA C 213 59.928 59.928 59.133 0.795 17780 561 1 . 1 1 124 124 MET CB C 213 34.529 34.529 32.674 1.855 17780 562 1 . 1 1 124 124 MET H H 213 8.145 8.145 7.789 0.356 17780 563 1 . 1 1 125 125 CYS N N 214 119.538 119.538 119.335 0.203 17780 564 1 . 1 1 125 125 CYS HA H 214 4.427 4.427 4.206 0.221 17780 565 1 . 1 1 125 125 CYS CA C 214 59.838 59.838 62.243 -2.405 17780 566 1 . 1 1 125 125 CYS CB C 214 41.798 41.798 25.621 16.177 17780 567 1 . 1 1 125 125 CYS H H 214 9.275 9.275 8.107 1.168 17780 568 1 . 1 1 126 126 ILE N N 215 123.982 123.982 120.921 3.061 17780 569 1 . 1 1 126 126 ILE HA H 215 3.579 3.579 3.837 -0.258 17780 570 1 . 1 1 126 126 ILE CA C 215 66.649 66.649 65.521 1.128 17780 571 1 . 1 1 126 126 ILE CB C 215 38.152 38.152 37.894 0.258 17780 572 1 . 1 1 126 126 ILE H H 215 8.434 8.434 7.813 0.621 17780 573 1 . 1 1 127 127 THR N N 216 118.728 118.728 116.459 2.269 17780 574 1 . 1 1 127 127 THR HA H 216 3.835 3.835 3.956 -0.121 17780 575 1 . 1 1 127 127 THR CA C 216 67.425 67.425 67.062 0.363 17780 576 1 . 1 1 127 127 THR CB C 216 68.035 68.035 68.288 -0.253 17780 577 1 . 1 1 127 127 THR H H 216 8.097 8.097 7.998 0.099 17780 578 1 . 1 1 128 128 GLN N N 217 122.368 122.368 120.545 1.823 17780 579 1 . 1 1 128 128 GLN HA H 217 3.662 3.662 4.148 -0.486 17780 580 1 . 1 1 128 128 GLN CA C 217 58.462 58.462 58.432 0.030 17780 581 1 . 1 1 128 128 GLN CB C 217 28.075 28.075 28.363 -0.288 17780 582 1 . 1 1 128 128 GLN H H 217 8.637 8.637 7.741 0.896 17780 583 1 . 1 1 129 129 TYR N N 218 121.512 121.512 122.766 -1.254 17780 584 1 . 1 1 129 129 TYR HA H 218 2.929 2.929 4.008 -1.079 17780 585 1 . 1 1 129 129 TYR CA C 218 61.904 61.904 61.312 0.592 17780 586 1 . 1 1 129 129 TYR CB C 218 37.075 37.075 38.368 -1.293 17780 587 1 . 1 1 129 129 TYR H H 218 8.705 8.705 8.968 -0.263 17780 588 1 . 1 1 130 130 LYS N N 219 120.801 120.801 117.562 3.239 17780 589 1 . 1 1 130 130 LYS HA H 219 3.667 3.667 3.730 -0.063 17780 590 1 . 1 1 130 130 LYS CA C 219 60.001 60.001 57.674 2.327 17780 591 1 . 1 1 130 130 LYS CB C 219 31.732 31.732 31.605 0.127 17780 592 1 . 1 1 130 130 LYS H H 219 8.232 8.232 8.370 -0.138 17780 593 1 . 1 1 131 131 ARG HA H 220 3.978 3.978 3.981 -0.003 17780 594 1 . 1 1 131 131 ARG CA C 220 59.013 59.013 59.014 -0.001 17780 595 1 . 1 1 131 131 ARG CB C 220 30.028 30.028 30.086 -0.058 17780 596 1 . 1 1 132 132 GLU N N 221 119.690 119.690 118.181 1.508 17780 597 1 . 1 1 132 132 GLU HA H 221 4.035 4.035 4.149 -0.114 17780 598 1 . 1 1 132 132 GLU CA C 221 58.006 58.006 58.383 -0.377 17780 599 1 . 1 1 132 132 GLU CB C 221 29.270 29.270 29.205 0.065 17780 600 1 . 1 1 132 132 GLU H H 221 8.521 8.521 8.286 0.235 17780 601 1 . 1 1 133 133 SER N N 222 115.963 115.963 115.491 0.472 17780 602 1 . 1 1 133 133 SER HA H 222 3.884 3.884 3.900 -0.016 17780 603 1 . 1 1 133 133 SER CA C 222 61.500 61.500 61.502 -0.002 17780 604 1 . 1 1 133 133 SER CB C 222 62.207 62.207 62.027 0.180 17780 605 1 . 1 1 133 133 SER H H 222 8.543 8.543 8.205 0.338 17780 606 1 . 1 1 134 134 GLN N N 223 120.695 120.695 120.707 -0.012 17780 607 1 . 1 1 134 134 GLN HA H 223 4.152 4.152 3.697 0.455 17780 608 1 . 1 1 134 134 GLN CA C 223 58.646 58.646 58.267 0.379 17780 609 1 . 1 1 134 134 GLN CB C 223 28.299 28.299 28.331 -0.032 17780 610 1 . 1 1 134 134 GLN H H 223 7.486 7.486 7.385 0.101 17780 611 1 . 1 1 135 135 ALA N N 224 120.905 120.905 121.086 -0.181 17780 612 1 . 1 1 135 135 ALA HA H 224 4.169 4.169 4.109 0.060 17780 613 1 . 1 1 135 135 ALA CA C 224 54.404 54.404 54.390 0.014 17780 614 1 . 1 1 135 135 ALA CB C 224 18.233 18.233 18.261 -0.028 17780 615 1 . 1 1 135 135 ALA H H 224 7.497 7.497 7.359 0.138 17780 616 1 . 1 1 136 136 TYR N N 225 119.969 119.969 120.936 -0.967 17780 617 1 . 1 1 136 136 TYR HA H 225 4.080 4.080 4.113 -0.033 17780 618 1 . 1 1 136 136 TYR CA C 225 61.060 61.060 61.084 -0.024 17780 619 1 . 1 1 136 136 TYR CB C 225 39.008 39.008 38.545 0.463 17780 620 1 . 1 1 136 136 TYR H H 225 8.215 8.215 7.667 0.548 17780 621 1 . 1 1 137 137 TYR N N 226 117.988 117.988 117.152 0.836 17780 622 1 . 1 1 137 137 TYR HA H 226 4.319 4.319 3.989 0.330 17780 623 1 . 1 1 137 137 TYR CA C 226 59.543 59.543 58.575 0.968 17780 624 1 . 1 1 137 137 TYR CB C 226 37.769 37.769 36.650 1.119 17780 625 1 . 1 1 137 137 TYR H H 226 8.022 8.022 8.448 -0.426 17780 626 1 . 1 1 138 138 GLN N N 227 118.911 118.911 118.585 0.326 17780 627 1 . 1 1 138 138 GLN HA H 227 4.189 4.189 4.110 0.079 17780 628 1 . 1 1 138 138 GLN CA C 227 57.002 57.002 57.598 -0.596 17780 629 1 . 1 1 138 138 GLN CB C 227 28.740 28.740 27.661 1.079 17780 630 1 . 1 1 138 138 GLN H H 227 7.838 7.838 7.641 0.197 17780 631 1 . 1 1 139 139 ARG N N 228 119.910 119.910 119.118 0.792 17780 632 1 . 1 1 139 139 ARG HA H 228 4.207 4.207 4.147 0.060 17780 633 1 . 1 1 139 139 ARG CA C 228 57.338 57.338 57.322 0.016 17780 634 1 . 1 1 139 139 ARG CB C 228 30.390 30.390 29.959 0.431 17780 635 1 . 1 1 139 139 ARG H H 228 7.862 7.862 7.923 -0.061 17780 636 1 . 1 1 140 140 GLY N N 229 108.627 108.627 105.543 3.084 17780 637 1 . 1 1 140 140 GLY CA C 229 45.477 45.477 45.043 0.434 17780 638 1 . 1 1 140 140 GLY H H 229 8.092 8.092 7.732 0.360 17780 639 1 . 1 1 141 141 SER N N 230 115.141 115.141 115.674 -0.533 17780 640 1 . 1 1 141 141 SER HA H 230 4.330 4.330 4.634 -0.304 17780 641 1 . 1 1 141 141 SER CA C 230 58.650 58.650 58.120 0.530 17780 642 1 . 1 1 141 141 SER CB C 230 63.641 63.641 64.208 -0.567 17780 643 1 . 1 1 141 141 SER H H 230 8.050 8.050 7.638 0.412 17780 stop_ save_