data_19771 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19771 _Entry.PDB_ID 2MKE 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 19771 _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 1 427 427 ASP N N 427 125.779 125.779 126.327 -0.548 19771 2 1 1 . 1 1 427 427 ASP HA H 427 4.829 4.829 4.805 0.024 19771 3 1 1 . 1 1 427 427 ASP CA C 427 52.150 52.150 52.962 -0.812 19771 4 1 1 . 1 1 427 427 ASP CB C 427 41.537 41.537 41.087 0.450 19771 5 1 1 . 1 1 427 427 ASP H H 427 8.293 8.293 8.523 -0.230 19771 6 1 1 . 1 1 428 428 PRO HA H 428 4.229 4.229 4.358 -0.129 19771 7 1 1 . 1 1 428 428 PRO CA C 428 63.337 63.337 62.538 0.799 19771 8 1 1 . 1 1 428 428 PRO CB C 428 32.019 32.019 32.180 -0.161 19771 9 1 1 . 1 1 429 429 TYR N N 429 119.152 119.152 116.041 3.111 19771 10 1 1 . 1 1 429 429 TYR HA H 429 4.421 4.421 4.573 -0.152 19771 11 1 1 . 1 1 429 429 TYR CA C 429 57.961 57.961 56.984 0.977 19771 12 1 1 . 1 1 429 429 TYR CB C 429 37.968 37.968 40.523 -2.555 19771 13 1 1 . 1 1 429 429 TYR H H 429 8.136 8.136 7.856 0.280 19771 14 1 1 . 1 1 430 430 LEU N N 430 122.733 122.733 122.922 -0.189 19771 15 1 1 . 1 1 430 430 LEU HA H 430 4.205 4.205 4.333 -0.128 19771 16 1 1 . 1 1 430 430 LEU CA C 430 54.950 54.950 56.500 -1.550 19771 17 1 1 . 1 1 430 430 LEU CB C 430 42.474 42.474 42.129 0.345 19771 18 1 1 . 1 1 430 430 LEU H H 430 7.596 7.596 8.790 -1.194 19771 19 1 1 . 1 1 431 431 GLU N N 431 120.614 120.614 117.457 3.157 19771 20 1 1 . 1 1 431 431 GLU H H 431 8.157 8.157 8.446 -0.289 19771 21 1 1 . 1 1 432 432 ASP HA H 432 4.387 4.387 4.851 -0.464 19771 22 1 1 . 1 1 432 432 ASP CA C 432 54.365 54.365 54.968 -0.603 19771 23 1 1 . 1 1 432 432 ASP CB C 432 41.027 41.027 42.503 -1.476 19771 24 1 1 . 1 1 433 433 SER N N 433 116.511 116.511 115.286 1.225 19771 25 1 1 . 1 1 433 433 SER HA H 433 4.222 4.222 4.572 -0.350 19771 26 1 1 . 1 1 433 433 SER CA C 433 57.811 57.811 58.350 -0.539 19771 27 1 1 . 1 1 433 433 SER CB C 433 64.342 64.342 63.660 0.682 19771 28 1 1 . 1 1 433 433 SER H H 433 7.926 7.926 8.078 -0.152 19771 29 1 1 . 1 1 434 434 LEU N N 434 124.239 124.239 123.786 0.453 19771 30 1 1 . 1 1 434 434 LEU HA H 434 4.301 4.301 4.058 0.243 19771 31 1 1 . 1 1 434 434 LEU CA C 434 54.780 54.780 55.771 -0.991 19771 32 1 1 . 1 1 434 434 LEU CB C 434 43.682 43.682 43.059 0.623 19771 33 1 1 . 1 1 434 434 LEU H H 434 8.161 8.161 7.341 0.820 19771 34 1 1 . 1 1 435 435 CYS N N 435 121.658 121.658 119.203 2.455 19771 35 1 1 . 1 1 435 435 CYS HA H 435 3.767 3.767 4.208 -0.441 19771 36 1 1 . 1 1 435 435 CYS CA C 435 60.505 60.505 60.048 0.457 19771 37 1 1 . 1 1 435 435 CYS CB C 435 31.833 31.833 26.687 5.146 19771 38 1 1 . 1 1 435 435 CYS H H 435 8.341 8.341 7.891 0.450 19771 39 1 1 . 1 1 436 436 HIS N N 436 129.654 129.654 123.898 5.756 19771 40 1 1 . 1 1 436 436 HIS HA H 436 4.436 4.436 4.576 -0.140 19771 41 1 1 . 1 1 436 436 HIS CA C 436 58.775 58.775 56.941 1.834 19771 42 1 1 . 1 1 436 436 HIS CB C 436 32.431 32.431 29.977 2.454 19771 43 1 1 . 1 1 436 436 HIS H H 436 9.087 9.087 8.253 0.834 19771 44 1 1 . 1 1 437 437 ILE N N 437 121.647 121.647 117.033 4.614 19771 45 1 1 . 1 1 437 437 ILE HA H 437 4.122 4.122 4.377 -0.255 19771 46 1 1 . 1 1 437 437 ILE CA C 437 61.632 61.632 61.978 -0.346 19771 47 1 1 . 1 1 437 437 ILE CB C 437 35.149 35.149 39.309 -4.160 19771 48 1 1 . 1 1 437 437 ILE H H 437 9.294 9.294 8.274 1.020 19771 49 1 1 . 1 1 438 438 CYS N N 438 118.756 118.756 117.203 1.553 19771 50 1 1 . 1 1 438 438 CYS HA H 438 4.719 4.719 4.810 -0.091 19771 51 1 1 . 1 1 438 438 CYS CB C 438 31.931 31.931 29.321 2.610 19771 52 1 1 . 1 1 438 438 CYS H H 438 8.503 8.503 8.432 0.071 19771 53 1 1 . 1 1 439 439 SER N N 439 116.341 116.341 116.270 0.071 19771 54 1 1 . 1 1 439 439 SER HA H 439 4.348 4.348 4.119 0.229 19771 55 1 1 . 1 1 439 439 SER CA C 439 60.131 60.131 60.239 -0.108 19771 56 1 1 . 1 1 439 439 SER CB C 439 62.642 62.642 60.968 1.674 19771 57 1 1 . 1 1 439 439 SER H H 439 7.561 7.561 8.818 -1.257 19771 58 1 1 . 1 1 440 440 SER N N 440 113.455 113.455 114.458 -1.003 19771 59 1 1 . 1 1 440 440 SER HA H 440 4.777 4.777 4.559 0.218 19771 60 1 1 . 1 1 440 440 SER CA C 440 58.703 58.703 59.110 -0.407 19771 61 1 1 . 1 1 440 440 SER CB C 440 65.681 65.681 64.564 1.117 19771 62 1 1 . 1 1 440 440 SER H H 440 8.272 8.272 8.049 0.223 19771 63 1 1 . 1 1 441 441 GLN N N 441 118.674 118.674 119.514 -0.840 19771 64 1 1 . 1 1 441 441 GLN HA H 441 4.865 4.865 4.795 0.070 19771 65 1 1 . 1 1 441 441 GLN CA C 441 52.802 52.802 52.969 -0.167 19771 66 1 1 . 1 1 441 441 GLN CB C 441 30.560 30.560 29.248 1.312 19771 67 1 1 . 1 1 441 441 GLN H H 441 7.355 7.355 7.690 -0.335 19771 68 1 1 . 1 1 442 442 PRO HA H 442 4.349 4.349 4.187 0.162 19771 69 1 1 . 1 1 442 442 PRO CA C 442 63.693 63.693 63.561 0.132 19771 70 1 1 . 1 1 442 442 PRO CB C 442 32.549 32.549 31.656 0.893 19771 71 1 1 . 1 1 443 443 GLY N N 443 110.126 110.126 106.140 3.986 19771 72 1 1 . 1 1 443 443 GLY CA C 443 46.097 46.097 44.575 1.522 19771 73 1 1 . 1 1 443 443 GLY H H 443 8.819 8.819 7.964 0.855 19771 74 1 1 . 1 1 444 444 PRO HA H 444 4.387 4.387 4.169 0.218 19771 75 1 1 . 1 1 444 444 PRO CA C 444 63.025 63.025 63.794 -0.769 19771 76 1 1 . 1 1 444 444 PRO CB C 444 32.737 32.737 31.456 1.281 19771 77 1 1 . 1 1 445 445 PHE N N 445 116.262 116.262 116.172 0.090 19771 78 1 1 . 1 1 445 445 PHE HA H 445 4.962 4.962 5.395 -0.433 19771 79 1 1 . 1 1 445 445 PHE CA C 445 56.014 56.014 56.210 -0.196 19771 80 1 1 . 1 1 445 445 PHE CB C 445 40.028 40.028 43.007 -2.979 19771 81 1 1 . 1 1 445 445 PHE H H 445 8.066 8.066 7.981 0.085 19771 82 1 1 . 1 1 446 446 PHE N N 446 126.081 126.081 120.900 5.181 19771 83 1 1 . 1 1 446 446 PHE HA H 446 5.050 5.050 5.412 -0.362 19771 84 1 1 . 1 1 446 446 PHE CA C 446 56.775 56.775 56.633 0.143 19771 85 1 1 . 1 1 446 446 PHE CB C 446 41.731 41.731 43.208 -1.477 19771 86 1 1 . 1 1 446 446 PHE H H 446 9.446 9.446 8.529 0.917 19771 87 1 1 . 1 1 447 447 CYS N N 447 128.746 128.746 126.612 2.134 19771 88 1 1 . 1 1 447 447 CYS HA H 447 4.874 4.874 5.174 -0.300 19771 89 1 1 . 1 1 447 447 CYS CA C 447 58.263 58.263 57.337 0.926 19771 90 1 1 . 1 1 447 447 CYS CB C 447 30.994 30.994 29.668 1.326 19771 91 1 1 . 1 1 447 447 CYS H H 447 7.729 7.729 8.038 -0.309 19771 92 1 1 . 1 1 448 448 ARG N N 448 125.530 125.530 125.852 -0.322 19771 93 1 1 . 1 1 448 448 ARG HA H 448 4.080 4.080 4.639 -0.559 19771 94 1 1 . 1 1 448 448 ARG CA C 448 55.854 55.854 55.564 0.290 19771 95 1 1 . 1 1 448 448 ARG CB C 448 31.200 31.200 30.664 0.536 19771 96 1 1 . 1 1 448 448 ARG H H 448 8.783 8.783 8.941 -0.158 19771 97 1 1 . 1 1 449 449 ASP N N 449 123.969 123.969 120.390 3.579 19771 98 1 1 . 1 1 449 449 ASP HA H 449 4.155 4.155 4.586 -0.431 19771 99 1 1 . 1 1 449 449 ASP CA C 449 56.118 56.118 54.826 1.292 19771 100 1 1 . 1 1 449 449 ASP CB C 449 43.634 43.634 41.381 2.253 19771 101 1 1 . 1 1 449 449 ASP H H 449 8.117 8.117 7.460 0.657 19771 102 1 1 . 1 1 450 450 GLN N N 450 125.410 125.410 120.354 5.056 19771 103 1 1 . 1 1 450 450 GLN HA H 450 3.832 3.832 4.098 -0.266 19771 104 1 1 . 1 1 450 450 GLN CA C 450 59.127 59.127 58.336 0.791 19771 105 1 1 . 1 1 450 450 GLN CB C 450 28.699 28.699 27.988 0.711 19771 106 1 1 . 1 1 450 450 GLN H H 450 8.670 8.670 8.864 -0.194 19771 107 1 1 . 1 1 451 451 VAL N N 451 113.164 113.164 110.887 2.277 19771 108 1 1 . 1 1 451 451 VAL HA H 451 4.240 4.240 4.321 -0.081 19771 109 1 1 . 1 1 451 451 VAL CA C 451 63.199 63.199 61.867 1.332 19771 110 1 1 . 1 1 451 451 VAL CB C 451 31.439 31.439 31.596 -0.157 19771 111 1 1 . 1 1 451 451 VAL H H 451 8.591 8.591 7.755 0.836 19771 112 1 1 . 1 1 452 452 CYS N N 452 120.986 120.986 118.770 2.216 19771 113 1 1 . 1 1 452 452 CYS HA H 452 4.502 4.502 4.864 -0.362 19771 114 1 1 . 1 1 452 452 CYS CA C 452 60.474 60.474 60.782 -0.308 19771 115 1 1 . 1 1 452 452 CYS CB C 452 31.715 31.715 29.183 2.532 19771 116 1 1 . 1 1 452 452 CYS H H 452 7.963 7.963 7.601 0.362 19771 117 1 1 . 1 1 453 453 PHE N N 453 129.406 129.406 121.076 8.330 19771 118 1 1 . 1 1 453 453 PHE HA H 453 4.121 4.121 4.022 0.099 19771 119 1 1 . 1 1 453 453 PHE CA C 453 59.700 59.700 59.182 0.518 19771 120 1 1 . 1 1 453 453 PHE CB C 453 38.328 38.328 37.422 0.906 19771 121 1 1 . 1 1 453 453 PHE H H 453 7.880 7.880 8.093 -0.213 19771 122 1 1 . 1 1 454 454 LYS N N 454 113.628 113.628 115.711 -2.083 19771 123 1 1 . 1 1 454 454 LYS HA H 454 4.423 4.423 4.403 0.020 19771 124 1 1 . 1 1 454 454 LYS CA C 454 54.050 54.050 53.718 0.332 19771 125 1 1 . 1 1 454 454 LYS CB C 454 37.833 37.833 36.927 0.906 19771 126 1 1 . 1 1 454 454 LYS H H 454 6.384 6.384 7.118 -0.734 19771 127 1 1 . 1 1 455 455 TYR N N 455 117.756 117.756 117.260 0.496 19771 128 1 1 . 1 1 455 455 TYR HA H 455 5.111 5.111 5.067 0.044 19771 129 1 1 . 1 1 455 455 TYR CA C 455 58.616 58.616 58.730 -0.114 19771 130 1 1 . 1 1 455 455 TYR CB C 455 39.956 39.956 39.618 0.338 19771 131 1 1 . 1 1 455 455 TYR H H 455 7.100 7.100 8.599 -1.499 19771 132 1 1 . 1 1 456 456 PHE N N 456 117.529 117.529 117.366 0.163 19771 133 1 1 . 1 1 456 456 PHE HA H 456 6.342 6.342 5.103 1.239 19771 134 1 1 . 1 1 456 456 PHE CA C 456 57.017 57.017 56.699 0.318 19771 135 1 1 . 1 1 456 456 PHE CB C 456 45.138 45.138 43.968 1.171 19771 136 1 1 . 1 1 456 456 PHE H H 456 9.527 9.527 9.071 0.456 19771 137 1 1 . 1 1 457 457 CYS N N 457 119.575 119.575 117.290 2.285 19771 138 1 1 . 1 1 457 457 CYS HA H 457 5.435 5.435 5.259 0.176 19771 139 1 1 . 1 1 457 457 CYS CA C 457 58.044 58.044 56.846 1.198 19771 140 1 1 . 1 1 457 457 CYS CB C 457 32.277 32.277 31.167 1.110 19771 141 1 1 . 1 1 457 457 CYS H H 457 9.710 9.710 8.989 0.721 19771 142 1 1 . 1 1 458 458 ARG N N 458 120.479 120.479 120.903 -0.424 19771 143 1 1 . 1 1 458 458 ARG HA H 458 3.750 3.750 3.845 -0.095 19771 144 1 1 . 1 1 458 458 ARG CA C 458 60.863 60.863 58.901 1.962 19771 145 1 1 . 1 1 458 458 ARG CB C 458 30.407 30.407 29.616 0.791 19771 146 1 1 . 1 1 458 458 ARG H H 458 9.300 9.300 8.917 0.383 19771 147 1 1 . 1 1 459 459 SER N N 459 114.502 114.502 114.979 -0.477 19771 148 1 1 . 1 1 459 459 SER HA H 459 4.424 4.424 3.985 0.439 19771 149 1 1 . 1 1 459 459 SER CA C 459 62.116 62.116 61.255 0.861 19771 150 1 1 . 1 1 459 459 SER CB C 459 62.828 62.828 63.241 -0.413 19771 151 1 1 . 1 1 459 459 SER H H 459 8.482 8.482 7.742 0.740 19771 152 1 1 . 1 1 460 460 CYS N N 460 126.957 126.957 117.224 9.733 19771 153 1 1 . 1 1 460 460 CYS HA H 460 4.402 4.402 4.211 0.191 19771 154 1 1 . 1 1 460 460 CYS CA C 460 65.041 65.041 58.796 6.245 19771 155 1 1 . 1 1 460 460 CYS CB C 460 30.694 30.694 26.336 4.358 19771 156 1 1 . 1 1 460 460 CYS H H 460 9.474 9.474 7.421 2.053 19771 157 1 1 . 1 1 461 461 TRP N N 461 121.032 121.032 123.591 -2.559 19771 158 1 1 . 1 1 461 461 TRP HA H 461 3.259 3.259 3.987 -0.728 19771 159 1 1 . 1 1 461 461 TRP CA C 461 62.794 62.794 60.574 2.220 19771 160 1 1 . 1 1 461 461 TRP CB C 461 27.672 27.672 29.062 -1.390 19771 161 1 1 . 1 1 461 461 TRP H H 461 9.553 9.553 8.568 0.985 19771 162 1 1 . 1 1 462 462 HIS N N 462 119.358 119.358 115.428 3.930 19771 163 1 1 . 1 1 462 462 HIS HA H 462 4.280 4.280 4.478 -0.198 19771 164 1 1 . 1 1 462 462 HIS CA C 462 59.828 59.828 58.984 0.844 19771 165 1 1 . 1 1 462 462 HIS CB C 462 30.330 30.330 29.041 1.289 19771 166 1 1 . 1 1 462 462 HIS H H 462 8.007 8.007 7.423 0.584 19771 167 1 1 . 1 1 463 463 TRP N N 463 121.005 121.005 116.691 4.314 19771 168 1 1 . 1 1 463 463 TRP HA H 463 4.179 4.179 4.650 -0.471 19771 169 1 1 . 1 1 463 463 TRP CA C 463 60.915 60.915 57.488 3.427 19771 170 1 1 . 1 1 463 463 TRP CB C 463 28.556 28.556 29.023 -0.467 19771 171 1 1 . 1 1 463 463 TRP H H 463 8.146 8.146 7.245 0.901 19771 172 1 1 . 1 1 464 464 ARG N N 464 117.937 117.937 116.137 1.800 19771 173 1 1 . 1 1 464 464 ARG HA H 464 3.160 3.160 4.188 -1.028 19771 174 1 1 . 1 1 464 464 ARG CA C 464 57.153 57.153 55.723 1.430 19771 175 1 1 . 1 1 464 464 ARG CB C 464 29.998 29.998 29.661 0.337 19771 176 1 1 . 1 1 464 464 ARG H H 464 8.136 8.136 7.131 1.005 19771 177 1 1 . 1 1 465 465 HIS N N 465 109.139 109.139 115.801 -6.662 19771 178 1 1 . 1 1 465 465 HIS HA H 465 3.729 3.729 4.576 -0.847 19771 179 1 1 . 1 1 465 465 HIS CA C 465 58.797 58.797 54.284 4.513 19771 180 1 1 . 1 1 465 465 HIS CB C 465 25.377 25.377 29.629 -4.252 19771 181 1 1 . 1 1 465 465 HIS H H 465 7.359 7.359 7.365 -0.006 19771 182 1 1 . 1 1 466 466 SER N N 466 112.123 112.123 116.092 -3.969 19771 183 1 1 . 1 1 466 466 SER HA H 466 4.273 4.273 4.209 0.064 19771 184 1 1 . 1 1 466 466 SER CA C 466 58.999 58.999 61.020 -2.021 19771 185 1 1 . 1 1 466 466 SER CB C 466 63.431 63.431 63.418 0.013 19771 186 1 1 . 1 1 466 466 SER H H 466 6.897 6.897 8.353 -1.456 19771 187 1 1 . 1 1 467 467 MET N N 467 121.282 121.282 117.086 4.196 19771 188 1 1 . 1 1 467 467 MET HA H 467 4.133 4.133 4.729 -0.596 19771 189 1 1 . 1 1 467 467 MET CA C 467 55.435 55.435 54.985 0.450 19771 190 1 1 . 1 1 467 467 MET CB C 467 33.206 33.206 34.495 -1.289 19771 191 1 1 . 1 1 467 467 MET H H 467 6.766 6.766 7.377 -0.611 19771 192 1 1 . 1 1 468 468 GLU N N 468 122.864 122.864 120.674 2.190 19771 193 1 1 . 1 1 468 468 GLU HA H 468 3.754 3.754 4.129 -0.375 19771 194 1 1 . 1 1 468 468 GLU CA C 468 58.708 58.708 58.463 0.245 19771 195 1 1 . 1 1 468 468 GLU CB C 468 29.457 29.457 29.423 0.034 19771 196 1 1 . 1 1 468 468 GLU H H 468 8.455 8.455 8.928 -0.473 19771 197 1 1 . 1 1 469 469 GLY N N 469 112.643 112.643 106.847 5.796 19771 198 1 1 . 1 1 469 469 GLY CA C 469 45.398 45.398 45.983 -0.584 19771 199 1 1 . 1 1 469 469 GLY H H 469 8.893 8.893 8.165 0.728 19771 200 1 1 . 1 1 470 470 LEU N N 470 118.167 118.167 118.264 -0.097 19771 201 1 1 . 1 1 470 470 LEU HA H 470 3.862 3.862 4.477 -0.615 19771 202 1 1 . 1 1 470 470 LEU CA C 470 54.284 54.284 53.283 1.001 19771 203 1 1 . 1 1 470 470 LEU CB C 470 42.923 42.923 41.533 1.390 19771 204 1 1 . 1 1 470 470 LEU H H 470 7.642 7.642 7.238 0.404 19771 205 1 1 . 1 1 471 471 ARG N N 471 115.958 115.958 119.244 -3.286 19771 206 1 1 . 1 1 471 471 ARG HA H 471 4.328 4.328 4.078 0.250 19771 207 1 1 . 1 1 471 471 ARG CA C 471 58.357 58.357 57.038 1.319 19771 208 1 1 . 1 1 471 471 ARG CB C 471 30.183 30.183 29.421 0.762 19771 209 1 1 . 1 1 471 471 ARG H H 471 7.256 7.256 7.431 -0.175 19771 210 1 1 . 1 1 472 472 HIS N N 472 113.710 113.710 112.849 0.861 19771 211 1 1 . 1 1 472 472 HIS HA H 472 4.635 4.635 4.612 0.023 19771 212 1 1 . 1 1 472 472 HIS CA C 472 56.199 56.199 55.801 0.398 19771 213 1 1 . 1 1 472 472 HIS CB C 472 30.157 30.157 29.596 0.561 19771 214 1 1 . 1 1 472 472 HIS H H 472 8.410 8.410 8.200 0.210 19771 215 1 1 . 1 1 473 473 HIS N N 473 122.456 122.456 119.979 2.477 19771 216 1 1 . 1 1 473 473 HIS HA H 473 4.418 4.418 4.410 0.008 19771 217 1 1 . 1 1 473 473 HIS CA C 473 55.485 55.485 56.316 -0.831 19771 218 1 1 . 1 1 473 473 HIS CB C 473 31.291 31.291 30.801 0.490 19771 219 1 1 . 1 1 473 473 HIS H H 473 6.899 6.899 7.155 -0.256 19771 220 1 1 . 1 1 474 474 SER N N 474 117.590 117.590 116.946 0.644 19771 221 1 1 . 1 1 474 474 SER HA H 474 5.065 5.065 4.940 0.125 19771 222 1 1 . 1 1 474 474 SER CA C 474 55.164 55.164 55.711 -0.547 19771 223 1 1 . 1 1 474 474 SER CB C 474 64.749 64.749 65.219 -0.470 19771 224 1 1 . 1 1 474 474 SER H H 474 8.600 8.600 8.728 -0.128 19771 225 1 1 . 1 1 475 475 PRO HA H 475 4.258 4.258 4.697 -0.439 19771 226 1 1 . 1 1 475 475 PRO CA C 475 62.975 62.975 62.198 0.777 19771 227 1 1 . 1 1 475 475 PRO CB C 475 31.696 31.696 31.644 0.052 19771 228 1 1 . 1 1 476 476 LEU N N 476 123.672 123.672 124.563 -0.891 19771 229 1 1 . 1 1 476 476 LEU CB C 476 44.146 44.146 43.820 0.326 19771 230 1 1 . 1 1 476 476 LEU H H 476 8.843 8.843 9.024 -0.181 19771 231 1 1 . 1 1 477 477 MET N N 477 122.428 122.428 120.257 2.171 19771 232 1 1 . 1 1 477 477 MET HA H 477 4.918 4.918 4.687 0.231 19771 233 1 1 . 1 1 477 477 MET CA C 477 54.604 54.604 56.705 -2.101 19771 234 1 1 . 1 1 477 477 MET CB C 477 34.225 34.225 33.681 0.544 19771 235 1 1 . 1 1 477 477 MET H H 477 8.564 8.564 8.498 0.066 19771 236 1 1 . 1 1 478 478 ARG N N 478 123.419 123.419 121.315 2.104 19771 237 1 1 . 1 1 478 478 ARG CB C 478 32.024 32.024 31.373 0.651 19771 238 1 1 . 1 1 478 478 ARG H H 478 8.825 8.825 8.843 -0.018 19771 239 1 1 . 1 1 481 481 LYS N N 481 122.000 122.000 122.288 -0.288 19771 240 1 1 . 1 1 481 481 LYS H H 481 8.284 8.284 8.478 -0.194 19771 241 1 1 . 1 1 482 482 ASN N N 482 119.466 119.466 120.621 -1.155 19771 242 1 1 . 1 1 482 482 ASN H H 482 8.379 8.379 8.652 -0.273 19771 243 1 1 . 1 1 483 483 ARG N N 483 121.400 121.400 118.951 2.449 19771 244 1 1 . 1 1 483 483 ARG H H 483 8.302 8.302 8.496 -0.194 19771 245 1 1 . 1 1 485 485 SER N N 485 115.800 115.800 117.655 -1.855 19771 246 1 1 . 1 1 485 485 SER H H 485 8.112 8.112 8.519 -0.407 19771 247 1 2 . 1 1 427 427 ASP N N 427 125.779 125.779 122.300 3.479 19771 248 1 2 . 1 1 427 427 ASP HA H 427 4.829 4.829 5.023 -0.194 19771 249 1 2 . 1 1 427 427 ASP CA C 427 52.150 52.150 52.724 -0.574 19771 250 1 2 . 1 1 427 427 ASP CB C 427 41.537 41.537 43.746 -2.209 19771 251 1 2 . 1 1 427 427 ASP H H 427 8.293 8.293 8.439 -0.146 19771 252 1 2 . 1 1 428 428 PRO HA H 428 4.229 4.229 4.155 0.074 19771 253 1 2 . 1 1 428 428 PRO CA C 428 63.337 63.337 64.328 -0.991 19771 254 1 2 . 1 1 428 428 PRO CB C 428 32.019 32.019 32.116 -0.097 19771 255 1 2 . 1 1 429 429 TYR N N 429 119.152 119.152 117.342 1.810 19771 256 1 2 . 1 1 429 429 TYR HA H 429 4.421 4.421 4.398 0.023 19771 257 1 2 . 1 1 429 429 TYR CA C 429 57.961 57.961 57.735 0.226 19771 258 1 2 . 1 1 429 429 TYR CB C 429 37.968 37.968 38.421 -0.453 19771 259 1 2 . 1 1 429 429 TYR H H 429 8.136 8.136 7.704 0.432 19771 260 1 2 . 1 1 430 430 LEU N N 430 122.733 122.733 120.457 2.276 19771 261 1 2 . 1 1 430 430 LEU HA H 430 4.205 4.205 4.383 -0.178 19771 262 1 2 . 1 1 430 430 LEU CA C 430 54.950 54.950 53.681 1.269 19771 263 1 2 . 1 1 430 430 LEU CB C 430 42.474 42.474 43.782 -1.308 19771 264 1 2 . 1 1 430 430 LEU H H 430 7.596 7.596 7.543 0.053 19771 265 1 2 . 1 1 431 431 GLU N N 431 120.614 120.614 123.256 -2.642 19771 266 1 2 . 1 1 431 431 GLU H H 431 8.157 8.157 8.658 -0.501 19771 267 1 2 . 1 1 432 432 ASP HA H 432 4.387 4.387 4.528 -0.141 19771 268 1 2 . 1 1 432 432 ASP CA C 432 54.365 54.365 55.325 -0.960 19771 269 1 2 . 1 1 432 432 ASP CB C 432 41.027 41.027 41.082 -0.055 19771 270 1 2 . 1 1 433 433 SER N N 433 116.511 116.511 115.321 1.190 19771 271 1 2 . 1 1 433 433 SER HA H 433 4.222 4.222 4.183 0.039 19771 272 1 2 . 1 1 433 433 SER CA C 433 57.811 57.811 57.840 -0.029 19771 273 1 2 . 1 1 433 433 SER CB C 433 64.342 64.342 64.028 0.314 19771 274 1 2 . 1 1 433 433 SER H H 433 7.926 7.926 7.519 0.407 19771 275 1 2 . 1 1 434 434 LEU N N 434 124.239 124.239 122.636 1.603 19771 276 1 2 . 1 1 434 434 LEU HA H 434 4.301 4.301 4.156 0.145 19771 277 1 2 . 1 1 434 434 LEU CA C 434 54.780 54.780 55.536 -0.756 19771 278 1 2 . 1 1 434 434 LEU CB C 434 43.682 43.682 43.056 0.626 19771 279 1 2 . 1 1 434 434 LEU H H 434 8.161 8.161 7.100 1.061 19771 280 1 2 . 1 1 435 435 CYS N N 435 121.658 121.658 122.205 -0.547 19771 281 1 2 . 1 1 435 435 CYS HA H 435 3.767 3.767 4.447 -0.680 19771 282 1 2 . 1 1 435 435 CYS CA C 435 60.505 60.505 59.248 1.257 19771 283 1 2 . 1 1 435 435 CYS CB C 435 31.833 31.833 27.489 4.344 19771 284 1 2 . 1 1 435 435 CYS H H 435 8.341 8.341 8.055 0.286 19771 285 1 2 . 1 1 436 436 HIS N N 436 129.654 129.654 129.383 0.271 19771 286 1 2 . 1 1 436 436 HIS HA H 436 4.436 4.436 4.582 -0.146 19771 287 1 2 . 1 1 436 436 HIS CA C 436 58.775 58.775 57.836 0.939 19771 288 1 2 . 1 1 436 436 HIS CB C 436 32.431 32.431 30.052 2.379 19771 289 1 2 . 1 1 436 436 HIS H H 436 9.087 9.087 8.945 0.142 19771 290 1 2 . 1 1 437 437 ILE N N 437 121.647 121.647 117.306 4.341 19771 291 1 2 . 1 1 437 437 ILE HA H 437 4.122 4.122 4.387 -0.265 19771 292 1 2 . 1 1 437 437 ILE CA C 437 61.632 61.632 62.097 -0.465 19771 293 1 2 . 1 1 437 437 ILE CB C 437 35.149 35.149 39.411 -4.262 19771 294 1 2 . 1 1 437 437 ILE H H 437 9.294 9.294 7.867 1.427 19771 295 1 2 . 1 1 438 438 CYS N N 438 118.756 118.756 117.978 0.778 19771 296 1 2 . 1 1 438 438 CYS HA H 438 4.719 4.719 4.839 -0.120 19771 297 1 2 . 1 1 438 438 CYS CB C 438 31.931 31.931 29.668 2.263 19771 298 1 2 . 1 1 438 438 CYS H H 438 8.503 8.503 7.946 0.557 19771 299 1 2 . 1 1 439 439 SER N N 439 116.341 116.341 117.030 -0.689 19771 300 1 2 . 1 1 439 439 SER HA H 439 4.348 4.348 4.140 0.208 19771 301 1 2 . 1 1 439 439 SER CA C 439 60.131 60.131 59.821 0.310 19771 302 1 2 . 1 1 439 439 SER CB C 439 62.642 62.642 61.298 1.344 19771 303 1 2 . 1 1 439 439 SER H H 439 7.561 7.561 8.349 -0.788 19771 304 1 2 . 1 1 440 440 SER N N 440 113.455 113.455 112.897 0.558 19771 305 1 2 . 1 1 440 440 SER HA H 440 4.777 4.777 4.549 0.228 19771 306 1 2 . 1 1 440 440 SER CA C 440 58.703 58.703 58.988 -0.285 19771 307 1 2 . 1 1 440 440 SER CB C 440 65.681 65.681 64.258 1.423 19771 308 1 2 . 1 1 440 440 SER H H 440 8.272 8.272 8.462 -0.190 19771 309 1 2 . 1 1 441 441 GLN N N 441 118.674 118.674 119.619 -0.945 19771 310 1 2 . 1 1 441 441 GLN HA H 441 4.865 4.865 4.789 0.076 19771 311 1 2 . 1 1 441 441 GLN CA C 441 52.802 52.802 53.349 -0.547 19771 312 1 2 . 1 1 441 441 GLN CB C 441 30.560 30.560 29.512 1.048 19771 313 1 2 . 1 1 441 441 GLN H H 441 7.355 7.355 7.515 -0.160 19771 314 1 2 . 1 1 442 442 PRO HA H 442 4.349 4.349 4.399 -0.050 19771 315 1 2 . 1 1 442 442 PRO CA C 442 63.693 63.693 63.500 0.193 19771 316 1 2 . 1 1 442 442 PRO CB C 442 32.549 32.549 31.899 0.650 19771 317 1 2 . 1 1 443 443 GLY N N 443 110.126 110.126 105.752 4.374 19771 318 1 2 . 1 1 443 443 GLY CA C 443 46.097 46.097 44.583 1.514 19771 319 1 2 . 1 1 443 443 GLY H H 443 8.819 8.819 7.882 0.937 19771 320 1 2 . 1 1 444 444 PRO HA H 444 4.387 4.387 4.179 0.208 19771 321 1 2 . 1 1 444 444 PRO CA C 444 63.025 63.025 63.898 -0.873 19771 322 1 2 . 1 1 444 444 PRO CB C 444 32.737 32.737 31.594 1.143 19771 323 1 2 . 1 1 445 445 PHE N N 445 116.262 116.262 117.167 -0.905 19771 324 1 2 . 1 1 445 445 PHE HA H 445 4.962 4.962 5.112 -0.150 19771 325 1 2 . 1 1 445 445 PHE CA C 445 56.014 56.014 56.599 -0.585 19771 326 1 2 . 1 1 445 445 PHE CB C 445 40.028 40.028 43.476 -3.448 19771 327 1 2 . 1 1 445 445 PHE H H 445 8.066 8.066 7.971 0.095 19771 328 1 2 . 1 1 446 446 PHE N N 446 126.081 126.081 121.307 4.774 19771 329 1 2 . 1 1 446 446 PHE HA H 446 5.050 5.050 5.387 -0.337 19771 330 1 2 . 1 1 446 446 PHE CA C 446 56.775 56.775 56.352 0.423 19771 331 1 2 . 1 1 446 446 PHE CB C 446 41.731 41.731 43.348 -1.617 19771 332 1 2 . 1 1 446 446 PHE H H 446 9.446 9.446 8.609 0.837 19771 333 1 2 . 1 1 447 447 CYS N N 447 128.746 128.746 124.714 4.032 19771 334 1 2 . 1 1 447 447 CYS HA H 447 4.874 4.874 4.884 -0.010 19771 335 1 2 . 1 1 447 447 CYS CA C 447 58.263 58.263 57.024 1.239 19771 336 1 2 . 1 1 447 447 CYS CB C 447 30.994 30.994 30.376 0.618 19771 337 1 2 . 1 1 447 447 CYS H H 447 7.729 7.729 7.486 0.243 19771 338 1 2 . 1 1 448 448 ARG N N 448 125.530 125.530 128.187 -2.657 19771 339 1 2 . 1 1 448 448 ARG HA H 448 4.080 4.080 4.855 -0.775 19771 340 1 2 . 1 1 448 448 ARG CA C 448 55.854 55.854 55.332 0.522 19771 341 1 2 . 1 1 448 448 ARG CB C 448 31.200 31.200 30.798 0.402 19771 342 1 2 . 1 1 448 448 ARG H H 448 8.783 8.783 8.682 0.101 19771 343 1 2 . 1 1 449 449 ASP N N 449 123.969 123.969 122.880 1.089 19771 344 1 2 . 1 1 449 449 ASP HA H 449 4.155 4.155 4.731 -0.576 19771 345 1 2 . 1 1 449 449 ASP CA C 449 56.118 56.118 52.700 3.418 19771 346 1 2 . 1 1 449 449 ASP CB C 449 43.634 43.634 44.185 -0.551 19771 347 1 2 . 1 1 449 449 ASP H H 449 8.117 8.117 8.281 -0.164 19771 348 1 2 . 1 1 450 450 GLN N N 450 125.410 125.410 118.578 6.832 19771 349 1 2 . 1 1 450 450 GLN HA H 450 3.832 3.832 4.120 -0.288 19771 350 1 2 . 1 1 450 450 GLN CA C 450 59.127 59.127 57.745 1.382 19771 351 1 2 . 1 1 450 450 GLN CB C 450 28.699 28.699 28.904 -0.205 19771 352 1 2 . 1 1 450 450 GLN H H 450 8.670 8.670 8.688 -0.018 19771 353 1 2 . 1 1 451 451 VAL N N 451 113.164 113.164 109.910 3.254 19771 354 1 2 . 1 1 451 451 VAL HA H 451 4.240 4.240 4.354 -0.114 19771 355 1 2 . 1 1 451 451 VAL CA C 451 63.199 63.199 61.851 1.348 19771 356 1 2 . 1 1 451 451 VAL CB C 451 31.439 31.439 33.376 -1.937 19771 357 1 2 . 1 1 451 451 VAL H H 451 8.591 8.591 7.492 1.099 19771 358 1 2 . 1 1 452 452 CYS N N 452 120.986 120.986 119.623 1.363 19771 359 1 2 . 1 1 452 452 CYS HA H 452 4.502 4.502 5.029 -0.527 19771 360 1 2 . 1 1 452 452 CYS CA C 452 60.474 60.474 58.937 1.537 19771 361 1 2 . 1 1 452 452 CYS CB C 452 31.715 31.715 29.844 1.871 19771 362 1 2 . 1 1 452 452 CYS H H 452 7.963 7.963 7.477 0.486 19771 363 1 2 . 1 1 453 453 PHE N N 453 129.406 129.406 124.264 5.142 19771 364 1 2 . 1 1 453 453 PHE HA H 453 4.121 4.121 4.779 -0.658 19771 365 1 2 . 1 1 453 453 PHE CA C 453 59.700 59.700 57.855 1.845 19771 366 1 2 . 1 1 453 453 PHE CB C 453 38.328 38.328 39.579 -1.251 19771 367 1 2 . 1 1 453 453 PHE H H 453 7.880 7.880 8.810 -0.930 19771 368 1 2 . 1 1 454 454 LYS N N 454 113.628 113.628 118.859 -5.231 19771 369 1 2 . 1 1 454 454 LYS HA H 454 4.423 4.423 4.120 0.303 19771 370 1 2 . 1 1 454 454 LYS CA C 454 54.050 54.050 53.698 0.352 19771 371 1 2 . 1 1 454 454 LYS CB C 454 37.833 37.833 36.340 1.494 19771 372 1 2 . 1 1 454 454 LYS H H 454 6.384 6.384 7.241 -0.857 19771 373 1 2 . 1 1 455 455 TYR N N 455 117.756 117.756 117.144 0.612 19771 374 1 2 . 1 1 455 455 TYR HA H 455 5.111 5.111 5.046 0.065 19771 375 1 2 . 1 1 455 455 TYR CA C 455 58.616 58.616 58.667 -0.051 19771 376 1 2 . 1 1 455 455 TYR CB C 455 39.956 39.956 40.072 -0.116 19771 377 1 2 . 1 1 455 455 TYR H H 455 7.100 7.100 7.706 -0.606 19771 378 1 2 . 1 1 456 456 PHE N N 456 117.529 117.529 117.189 0.340 19771 379 1 2 . 1 1 456 456 PHE HA H 456 6.342 6.342 5.091 1.251 19771 380 1 2 . 1 1 456 456 PHE CA C 456 57.017 57.017 56.879 0.138 19771 381 1 2 . 1 1 456 456 PHE CB C 456 45.138 45.138 44.189 0.949 19771 382 1 2 . 1 1 456 456 PHE H H 456 9.527 9.527 9.159 0.368 19771 383 1 2 . 1 1 457 457 CYS N N 457 119.575 119.575 117.388 2.187 19771 384 1 2 . 1 1 457 457 CYS HA H 457 5.435 5.435 5.335 0.100 19771 385 1 2 . 1 1 457 457 CYS CA C 457 58.044 58.044 56.559 1.485 19771 386 1 2 . 1 1 457 457 CYS CB C 457 32.277 32.277 31.224 1.053 19771 387 1 2 . 1 1 457 457 CYS H H 457 9.710 9.710 9.028 0.682 19771 388 1 2 . 1 1 458 458 ARG N N 458 120.479 120.479 121.164 -0.685 19771 389 1 2 . 1 1 458 458 ARG HA H 458 3.750 3.750 3.832 -0.082 19771 390 1 2 . 1 1 458 458 ARG CA C 458 60.863 60.863 60.107 0.756 19771 391 1 2 . 1 1 458 458 ARG CB C 458 30.407 30.407 30.266 0.141 19771 392 1 2 . 1 1 458 458 ARG H H 458 9.300 9.300 8.987 0.313 19771 393 1 2 . 1 1 459 459 SER N N 459 114.502 114.502 113.969 0.533 19771 394 1 2 . 1 1 459 459 SER HA H 459 4.424 4.424 3.950 0.474 19771 395 1 2 . 1 1 459 459 SER CA C 459 62.116 62.116 60.882 1.234 19771 396 1 2 . 1 1 459 459 SER CB C 459 62.828 62.828 62.978 -0.150 19771 397 1 2 . 1 1 459 459 SER H H 459 8.482 8.482 8.260 0.222 19771 398 1 2 . 1 1 460 460 CYS N N 460 126.957 126.957 116.574 10.383 19771 399 1 2 . 1 1 460 460 CYS HA H 460 4.402 4.402 4.222 0.180 19771 400 1 2 . 1 1 460 460 CYS CA C 460 65.041 65.041 58.052 6.989 19771 401 1 2 . 1 1 460 460 CYS CB C 460 30.694 30.694 26.634 4.060 19771 402 1 2 . 1 1 460 460 CYS H H 460 9.474 9.474 7.424 2.050 19771 403 1 2 . 1 1 461 461 TRP N N 461 121.032 121.032 123.897 -2.865 19771 404 1 2 . 1 1 461 461 TRP HA H 461 3.259 3.259 3.917 -0.658 19771 405 1 2 . 1 1 461 461 TRP CA C 461 62.794 62.794 60.798 1.996 19771 406 1 2 . 1 1 461 461 TRP CB C 461 27.672 27.672 28.849 -1.177 19771 407 1 2 . 1 1 461 461 TRP H H 461 9.553 9.553 8.360 1.193 19771 408 1 2 . 1 1 462 462 HIS N N 462 119.358 119.358 114.828 4.530 19771 409 1 2 . 1 1 462 462 HIS HA H 462 4.280 4.280 4.425 -0.145 19771 410 1 2 . 1 1 462 462 HIS CA C 462 59.828 59.828 59.358 0.470 19771 411 1 2 . 1 1 462 462 HIS CB C 462 30.330 30.330 29.529 0.801 19771 412 1 2 . 1 1 462 462 HIS H H 462 8.007 8.007 7.330 0.677 19771 413 1 2 . 1 1 463 463 TRP N N 463 121.005 121.005 119.111 1.894 19771 414 1 2 . 1 1 463 463 TRP HA H 463 4.179 4.179 4.555 -0.376 19771 415 1 2 . 1 1 463 463 TRP CA C 463 60.915 60.915 59.215 1.700 19771 416 1 2 . 1 1 463 463 TRP CB C 463 28.556 28.556 28.479 0.077 19771 417 1 2 . 1 1 463 463 TRP H H 463 8.146 8.146 7.476 0.670 19771 418 1 2 . 1 1 464 464 ARG N N 464 117.937 117.937 116.917 1.020 19771 419 1 2 . 1 1 464 464 ARG HA H 464 3.160 3.160 4.125 -0.965 19771 420 1 2 . 1 1 464 464 ARG CA C 464 57.153 57.153 55.876 1.277 19771 421 1 2 . 1 1 464 464 ARG CB C 464 29.998 29.998 30.105 -0.107 19771 422 1 2 . 1 1 464 464 ARG H H 464 8.136 8.136 7.033 1.103 19771 423 1 2 . 1 1 465 465 HIS N N 465 109.139 109.139 114.716 -5.577 19771 424 1 2 . 1 1 465 465 HIS HA H 465 3.729 3.729 4.447 -0.718 19771 425 1 2 . 1 1 465 465 HIS CA C 465 58.797 58.797 55.716 3.081 19771 426 1 2 . 1 1 465 465 HIS CB C 465 25.377 25.377 31.153 -5.776 19771 427 1 2 . 1 1 465 465 HIS H H 465 7.359 7.359 7.615 -0.256 19771 428 1 2 . 1 1 466 466 SER N N 466 112.123 112.123 116.618 -4.495 19771 429 1 2 . 1 1 466 466 SER HA H 466 4.273 4.273 4.347 -0.074 19771 430 1 2 . 1 1 466 466 SER CA C 466 58.999 58.999 59.723 -0.724 19771 431 1 2 . 1 1 466 466 SER CB C 466 63.431 63.431 63.217 0.214 19771 432 1 2 . 1 1 466 466 SER H H 466 6.897 6.897 8.019 -1.122 19771 433 1 2 . 1 1 467 467 MET N N 467 121.282 121.282 118.717 2.565 19771 434 1 2 . 1 1 467 467 MET HA H 467 4.133 4.133 4.534 -0.401 19771 435 1 2 . 1 1 467 467 MET CA C 467 55.435 55.435 56.226 -0.791 19771 436 1 2 . 1 1 467 467 MET CB C 467 33.206 33.206 33.607 -0.401 19771 437 1 2 . 1 1 467 467 MET H H 467 6.766 6.766 7.857 -1.091 19771 438 1 2 . 1 1 468 468 GLU N N 468 122.864 122.864 119.077 3.787 19771 439 1 2 . 1 1 468 468 GLU HA H 468 3.754 3.754 4.184 -0.430 19771 440 1 2 . 1 1 468 468 GLU CA C 468 58.708 58.708 57.594 1.114 19771 441 1 2 . 1 1 468 468 GLU CB C 468 29.457 29.457 28.953 0.504 19771 442 1 2 . 1 1 468 468 GLU H H 468 8.455 8.455 8.840 -0.385 19771 443 1 2 . 1 1 469 469 GLY N N 469 112.643 112.643 107.395 5.248 19771 444 1 2 . 1 1 469 469 GLY CA C 469 45.398 45.398 45.418 -0.020 19771 445 1 2 . 1 1 469 469 GLY H H 469 8.893 8.893 7.839 1.054 19771 446 1 2 . 1 1 470 470 LEU N N 470 118.167 118.167 118.977 -0.810 19771 447 1 2 . 1 1 470 470 LEU HA H 470 3.862 3.862 4.412 -0.550 19771 448 1 2 . 1 1 470 470 LEU CA C 470 54.284 54.284 53.592 0.692 19771 449 1 2 . 1 1 470 470 LEU CB C 470 42.923 42.923 42.544 0.379 19771 450 1 2 . 1 1 470 470 LEU H H 470 7.642 7.642 7.301 0.341 19771 451 1 2 . 1 1 471 471 ARG N N 471 115.958 115.958 118.755 -2.797 19771 452 1 2 . 1 1 471 471 ARG HA H 471 4.328 4.328 4.173 0.155 19771 453 1 2 . 1 1 471 471 ARG CA C 471 58.357 58.357 57.488 0.869 19771 454 1 2 . 1 1 471 471 ARG CB C 471 30.183 30.183 29.503 0.680 19771 455 1 2 . 1 1 471 471 ARG H H 471 7.256 7.256 7.708 -0.452 19771 456 1 2 . 1 1 472 472 HIS N N 472 113.710 113.710 112.968 0.742 19771 457 1 2 . 1 1 472 472 HIS HA H 472 4.635 4.635 4.655 -0.020 19771 458 1 2 . 1 1 472 472 HIS CA C 472 56.199 56.199 55.267 0.932 19771 459 1 2 . 1 1 472 472 HIS CB C 472 30.157 30.157 29.540 0.617 19771 460 1 2 . 1 1 472 472 HIS H H 472 8.410 8.410 8.001 0.409 19771 461 1 2 . 1 1 473 473 HIS N N 473 122.456 122.456 120.758 1.698 19771 462 1 2 . 1 1 473 473 HIS HA H 473 4.418 4.418 4.369 0.049 19771 463 1 2 . 1 1 473 473 HIS CA C 473 55.485 55.485 56.085 -0.600 19771 464 1 2 . 1 1 473 473 HIS CB C 473 31.291 31.291 30.304 0.987 19771 465 1 2 . 1 1 473 473 HIS H H 473 6.899 6.899 7.029 -0.130 19771 466 1 2 . 1 1 474 474 SER N N 474 117.590 117.590 116.519 1.071 19771 467 1 2 . 1 1 474 474 SER HA H 474 5.065 5.065 4.930 0.135 19771 468 1 2 . 1 1 474 474 SER CA C 474 55.164 55.164 55.724 -0.560 19771 469 1 2 . 1 1 474 474 SER CB C 474 64.749 64.749 65.410 -0.661 19771 470 1 2 . 1 1 474 474 SER H H 474 8.600 8.600 8.489 0.111 19771 471 1 2 . 1 1 475 475 PRO HA H 475 4.258 4.258 4.363 -0.105 19771 472 1 2 . 1 1 475 475 PRO CA C 475 62.975 62.975 62.670 0.305 19771 473 1 2 . 1 1 475 475 PRO CB C 475 31.696 31.696 32.174 -0.478 19771 474 1 2 . 1 1 476 476 LEU N N 476 123.672 123.672 121.667 2.005 19771 475 1 2 . 1 1 476 476 LEU CB C 476 44.146 44.146 45.758 -1.612 19771 476 1 2 . 1 1 476 476 LEU H H 476 8.843 8.843 7.953 0.890 19771 477 1 2 . 1 1 477 477 MET N N 477 122.428 122.428 118.696 3.732 19771 478 1 2 . 1 1 477 477 MET HA H 477 4.918 4.918 4.805 0.113 19771 479 1 2 . 1 1 477 477 MET CA C 477 54.604 54.604 55.772 -1.168 19771 480 1 2 . 1 1 477 477 MET CB C 477 34.225 34.225 33.994 0.231 19771 481 1 2 . 1 1 477 477 MET H H 477 8.564 8.564 8.736 -0.172 19771 482 1 2 . 1 1 478 478 ARG N N 478 123.419 123.419 119.415 4.004 19771 483 1 2 . 1 1 478 478 ARG CB C 478 32.024 32.024 28.901 3.123 19771 484 1 2 . 1 1 478 478 ARG H H 478 8.825 8.825 8.387 0.438 19771 485 1 2 . 1 1 481 481 LYS N N 481 122.000 122.000 120.520 1.480 19771 486 1 2 . 1 1 481 481 LYS H H 481 8.284 8.284 8.406 -0.122 19771 487 1 2 . 1 1 482 482 ASN N N 482 119.466 119.466 119.169 0.297 19771 488 1 2 . 1 1 482 482 ASN H H 482 8.379 8.379 8.564 -0.185 19771 489 1 2 . 1 1 483 483 ARG N N 483 121.400 121.400 119.134 2.266 19771 490 1 2 . 1 1 483 483 ARG H H 483 8.302 8.302 8.635 -0.333 19771 491 1 2 . 1 1 485 485 SER N N 485 115.800 115.800 114.647 1.153 19771 492 1 2 . 1 1 485 485 SER H H 485 8.112 8.112 7.677 0.435 19771 493 1 3 . 1 1 427 427 ASP N N 427 125.779 125.779 122.831 2.948 19771 494 1 3 . 1 1 427 427 ASP HA H 427 4.829 4.829 4.880 -0.051 19771 495 1 3 . 1 1 427 427 ASP CA C 427 52.150 52.150 53.506 -1.356 19771 496 1 3 . 1 1 427 427 ASP CB C 427 41.537 41.537 41.557 -0.020 19771 497 1 3 . 1 1 427 427 ASP H H 427 8.293 8.293 8.478 -0.185 19771 498 1 3 . 1 1 428 428 PRO HA H 428 4.229 4.229 4.294 -0.065 19771 499 1 3 . 1 1 428 428 PRO CA C 428 63.337 63.337 63.967 -0.630 19771 500 1 3 . 1 1 428 428 PRO CB C 428 32.019 32.019 32.074 -0.055 19771 501 1 3 . 1 1 429 429 TYR N N 429 119.152 119.152 119.578 -0.426 19771 502 1 3 . 1 1 429 429 TYR HA H 429 4.421 4.421 4.654 -0.233 19771 503 1 3 . 1 1 429 429 TYR CA C 429 57.961 57.961 57.863 0.098 19771 504 1 3 . 1 1 429 429 TYR CB C 429 37.968 37.968 39.614 -1.646 19771 505 1 3 . 1 1 429 429 TYR H H 429 8.136 8.136 7.548 0.588 19771 506 1 3 . 1 1 430 430 LEU N N 430 122.733 122.733 126.871 -4.138 19771 507 1 3 . 1 1 430 430 LEU HA H 430 4.205 4.205 4.254 -0.049 19771 508 1 3 . 1 1 430 430 LEU CA C 430 54.950 54.950 54.867 0.083 19771 509 1 3 . 1 1 430 430 LEU CB C 430 42.474 42.474 44.332 -1.858 19771 510 1 3 . 1 1 430 430 LEU H H 430 7.596 7.596 8.055 -0.459 19771 511 1 3 . 1 1 431 431 GLU N N 431 120.614 120.614 122.302 -1.688 19771 512 1 3 . 1 1 431 431 GLU H H 431 8.157 8.157 8.134 0.023 19771 513 1 3 . 1 1 432 432 ASP HA H 432 4.387 4.387 4.613 -0.226 19771 514 1 3 . 1 1 432 432 ASP CA C 432 54.365 54.365 53.873 0.492 19771 515 1 3 . 1 1 432 432 ASP CB C 432 41.027 41.027 41.859 -0.832 19771 516 1 3 . 1 1 433 433 SER N N 433 116.511 116.511 117.246 -0.735 19771 517 1 3 . 1 1 433 433 SER HA H 433 4.222 4.222 4.414 -0.192 19771 518 1 3 . 1 1 433 433 SER CA C 433 57.811 57.811 58.934 -1.123 19771 519 1 3 . 1 1 433 433 SER CB C 433 64.342 64.342 63.602 0.740 19771 520 1 3 . 1 1 433 433 SER H H 433 7.926 7.926 8.318 -0.392 19771 521 1 3 . 1 1 434 434 LEU N N 434 124.239 124.239 120.148 4.091 19771 522 1 3 . 1 1 434 434 LEU HA H 434 4.301 4.301 4.615 -0.314 19771 523 1 3 . 1 1 434 434 LEU CA C 434 54.780 54.780 52.948 1.832 19771 524 1 3 . 1 1 434 434 LEU CB C 434 43.682 43.682 42.605 1.077 19771 525 1 3 . 1 1 434 434 LEU H H 434 8.161 8.161 7.702 0.459 19771 526 1 3 . 1 1 435 435 CYS N N 435 121.658 121.658 120.758 0.900 19771 527 1 3 . 1 1 435 435 CYS HA H 435 3.767 3.767 4.430 -0.663 19771 528 1 3 . 1 1 435 435 CYS CA C 435 60.505 60.505 59.201 1.304 19771 529 1 3 . 1 1 435 435 CYS CB C 435 31.833 31.833 28.010 3.823 19771 530 1 3 . 1 1 435 435 CYS H H 435 8.341 8.341 8.419 -0.078 19771 531 1 3 . 1 1 436 436 HIS N N 436 129.654 129.654 128.766 0.888 19771 532 1 3 . 1 1 436 436 HIS HA H 436 4.436 4.436 4.593 -0.157 19771 533 1 3 . 1 1 436 436 HIS CA C 436 58.775 58.775 57.580 1.195 19771 534 1 3 . 1 1 436 436 HIS CB C 436 32.431 32.431 29.816 2.615 19771 535 1 3 . 1 1 436 436 HIS H H 436 9.087 9.087 8.801 0.286 19771 536 1 3 . 1 1 437 437 ILE N N 437 121.647 121.647 117.294 4.353 19771 537 1 3 . 1 1 437 437 ILE HA H 437 4.122 4.122 4.393 -0.271 19771 538 1 3 . 1 1 437 437 ILE CA C 437 61.632 61.632 62.144 -0.512 19771 539 1 3 . 1 1 437 437 ILE CB C 437 35.149 35.149 39.420 -4.271 19771 540 1 3 . 1 1 437 437 ILE H H 437 9.294 9.294 7.895 1.399 19771 541 1 3 . 1 1 438 438 CYS N N 438 118.756 118.756 118.599 0.157 19771 542 1 3 . 1 1 438 438 CYS HA H 438 4.719 4.719 4.821 -0.102 19771 543 1 3 . 1 1 438 438 CYS CB C 438 31.931 31.931 29.477 2.454 19771 544 1 3 . 1 1 438 438 CYS H H 438 8.503 8.503 7.907 0.596 19771 545 1 3 . 1 1 439 439 SER N N 439 116.341 116.341 116.690 -0.349 19771 546 1 3 . 1 1 439 439 SER HA H 439 4.348 4.348 4.139 0.209 19771 547 1 3 . 1 1 439 439 SER CA C 439 60.131 60.131 59.800 0.331 19771 548 1 3 . 1 1 439 439 SER CB C 439 62.642 62.642 61.617 1.024 19771 549 1 3 . 1 1 439 439 SER H H 439 7.561 7.561 8.411 -0.850 19771 550 1 3 . 1 1 440 440 SER N N 440 113.455 113.455 114.210 -0.755 19771 551 1 3 . 1 1 440 440 SER HA H 440 4.777 4.777 4.519 0.258 19771 552 1 3 . 1 1 440 440 SER CA C 440 58.703 58.703 58.649 0.054 19771 553 1 3 . 1 1 440 440 SER CB C 440 65.681 65.681 64.116 1.565 19771 554 1 3 . 1 1 440 440 SER H H 440 8.272 8.272 8.363 -0.091 19771 555 1 3 . 1 1 441 441 GLN N N 441 118.674 118.674 119.009 -0.335 19771 556 1 3 . 1 1 441 441 GLN HA H 441 4.865 4.865 4.779 0.086 19771 557 1 3 . 1 1 441 441 GLN CA C 441 52.802 52.802 52.839 -0.037 19771 558 1 3 . 1 1 441 441 GLN CB C 441 30.560 30.560 29.490 1.070 19771 559 1 3 . 1 1 441 441 GLN H H 441 7.355 7.355 7.843 -0.488 19771 560 1 3 . 1 1 442 442 PRO HA H 442 4.349 4.349 4.679 -0.330 19771 561 1 3 . 1 1 442 442 PRO CA C 442 63.693 63.693 62.610 1.083 19771 562 1 3 . 1 1 442 442 PRO CB C 442 32.549 32.549 31.279 1.270 19771 563 1 3 . 1 1 443 443 GLY N N 443 110.126 110.126 112.837 -2.711 19771 564 1 3 . 1 1 443 443 GLY CA C 443 46.097 46.097 43.868 2.229 19771 565 1 3 . 1 1 443 443 GLY H H 443 8.819 8.819 7.927 0.892 19771 566 1 3 . 1 1 444 444 PRO HA H 444 4.387 4.387 4.265 0.122 19771 567 1 3 . 1 1 444 444 PRO CA C 444 63.025 63.025 63.352 -0.327 19771 568 1 3 . 1 1 444 444 PRO CB C 444 32.737 32.737 31.675 1.062 19771 569 1 3 . 1 1 445 445 PHE N N 445 116.262 116.262 117.741 -1.479 19771 570 1 3 . 1 1 445 445 PHE HA H 445 4.962 4.962 4.901 0.061 19771 571 1 3 . 1 1 445 445 PHE CA C 445 56.014 56.014 56.153 -0.139 19771 572 1 3 . 1 1 445 445 PHE CB C 445 40.028 40.028 42.267 -2.239 19771 573 1 3 . 1 1 445 445 PHE H H 445 8.066 8.066 7.611 0.455 19771 574 1 3 . 1 1 446 446 PHE N N 446 126.081 126.081 121.197 4.884 19771 575 1 3 . 1 1 446 446 PHE HA H 446 5.050 5.050 5.293 -0.243 19771 576 1 3 . 1 1 446 446 PHE CA C 446 56.775 56.775 56.538 0.237 19771 577 1 3 . 1 1 446 446 PHE CB C 446 41.731 41.731 43.115 -1.384 19771 578 1 3 . 1 1 446 446 PHE H H 446 9.446 9.446 8.473 0.973 19771 579 1 3 . 1 1 447 447 CYS N N 447 128.746 128.746 125.888 2.858 19771 580 1 3 . 1 1 447 447 CYS HA H 447 4.874 4.874 4.876 -0.002 19771 581 1 3 . 1 1 447 447 CYS CA C 447 58.263 58.263 56.981 1.282 19771 582 1 3 . 1 1 447 447 CYS CB C 447 30.994 30.994 29.529 1.465 19771 583 1 3 . 1 1 447 447 CYS H H 447 7.729 7.729 7.839 -0.110 19771 584 1 3 . 1 1 448 448 ARG N N 448 125.530 125.530 127.591 -2.061 19771 585 1 3 . 1 1 448 448 ARG HA H 448 4.080 4.080 4.803 -0.723 19771 586 1 3 . 1 1 448 448 ARG CA C 448 55.854 55.854 55.242 0.612 19771 587 1 3 . 1 1 448 448 ARG CB C 448 31.200 31.200 31.004 0.196 19771 588 1 3 . 1 1 448 448 ARG H H 448 8.783 8.783 8.734 0.049 19771 589 1 3 . 1 1 449 449 ASP N N 449 123.969 123.969 124.309 -0.340 19771 590 1 3 . 1 1 449 449 ASP HA H 449 4.155 4.155 4.635 -0.480 19771 591 1 3 . 1 1 449 449 ASP CA C 449 56.118 56.118 52.424 3.694 19771 592 1 3 . 1 1 449 449 ASP CB C 449 43.634 43.634 43.785 -0.151 19771 593 1 3 . 1 1 449 449 ASP H H 449 8.117 8.117 7.848 0.269 19771 594 1 3 . 1 1 450 450 GLN N N 450 125.410 125.410 119.311 6.099 19771 595 1 3 . 1 1 450 450 GLN HA H 450 3.832 3.832 4.306 -0.474 19771 596 1 3 . 1 1 450 450 GLN CA C 450 59.127 59.127 57.989 1.138 19771 597 1 3 . 1 1 450 450 GLN CB C 450 28.699 28.699 28.796 -0.097 19771 598 1 3 . 1 1 450 450 GLN H H 450 8.670 8.670 8.644 0.026 19771 599 1 3 . 1 1 451 451 VAL N N 451 113.164 113.164 108.630 4.534 19771 600 1 3 . 1 1 451 451 VAL HA H 451 4.240 4.240 4.441 -0.201 19771 601 1 3 . 1 1 451 451 VAL CA C 451 63.199 63.199 61.969 1.230 19771 602 1 3 . 1 1 451 451 VAL CB C 451 31.439 31.439 33.739 -2.300 19771 603 1 3 . 1 1 451 451 VAL H H 451 8.591 8.591 7.346 1.245 19771 604 1 3 . 1 1 452 452 CYS N N 452 120.986 120.986 118.622 2.364 19771 605 1 3 . 1 1 452 452 CYS HA H 452 4.502 4.502 4.749 -0.247 19771 606 1 3 . 1 1 452 452 CYS CA C 452 60.474 60.474 58.601 1.873 19771 607 1 3 . 1 1 452 452 CYS CB C 452 31.715 31.715 28.694 3.021 19771 608 1 3 . 1 1 452 452 CYS H H 452 7.963 7.963 7.158 0.805 19771 609 1 3 . 1 1 453 453 PHE N N 453 129.406 129.406 120.846 8.560 19771 610 1 3 . 1 1 453 453 PHE HA H 453 4.121 4.121 4.670 -0.549 19771 611 1 3 . 1 1 453 453 PHE CA C 453 59.700 59.700 57.206 2.494 19771 612 1 3 . 1 1 453 453 PHE CB C 453 38.328 38.328 41.083 -2.755 19771 613 1 3 . 1 1 453 453 PHE H H 453 7.880 7.880 8.811 -0.931 19771 614 1 3 . 1 1 454 454 LYS N N 454 113.628 113.628 116.305 -2.677 19771 615 1 3 . 1 1 454 454 LYS HA H 454 4.423 4.423 4.441 -0.018 19771 616 1 3 . 1 1 454 454 LYS CA C 454 54.050 54.050 53.017 1.032 19771 617 1 3 . 1 1 454 454 LYS CB C 454 37.833 37.833 35.943 1.890 19771 618 1 3 . 1 1 454 454 LYS H H 454 6.384 6.384 7.157 -0.773 19771 619 1 3 . 1 1 455 455 TYR N N 455 117.756 117.756 116.912 0.844 19771 620 1 3 . 1 1 455 455 TYR HA H 455 5.111 5.111 4.865 0.246 19771 621 1 3 . 1 1 455 455 TYR CA C 455 58.616 58.616 58.986 -0.370 19771 622 1 3 . 1 1 455 455 TYR CB C 455 39.956 39.956 39.742 0.214 19771 623 1 3 . 1 1 455 455 TYR H H 455 7.100 7.100 8.014 -0.914 19771 624 1 3 . 1 1 456 456 PHE N N 456 117.529 117.529 117.779 -0.250 19771 625 1 3 . 1 1 456 456 PHE HA H 456 6.342 6.342 5.159 1.183 19771 626 1 3 . 1 1 456 456 PHE CA C 456 57.017 57.017 56.752 0.265 19771 627 1 3 . 1 1 456 456 PHE CB C 456 45.138 45.138 44.246 0.892 19771 628 1 3 . 1 1 456 456 PHE H H 456 9.527 9.527 8.993 0.534 19771 629 1 3 . 1 1 457 457 CYS N N 457 119.575 119.575 116.824 2.751 19771 630 1 3 . 1 1 457 457 CYS HA H 457 5.435 5.435 5.154 0.281 19771 631 1 3 . 1 1 457 457 CYS CA C 457 58.044 58.044 56.128 1.916 19771 632 1 3 . 1 1 457 457 CYS CB C 457 32.277 32.277 31.498 0.779 19771 633 1 3 . 1 1 457 457 CYS H H 457 9.710 9.710 8.960 0.750 19771 634 1 3 . 1 1 458 458 ARG N N 458 120.479 120.479 121.946 -1.467 19771 635 1 3 . 1 1 458 458 ARG HA H 458 3.750 3.750 3.806 -0.056 19771 636 1 3 . 1 1 458 458 ARG CA C 458 60.863 60.863 60.154 0.709 19771 637 1 3 . 1 1 458 458 ARG CB C 458 30.407 30.407 30.260 0.147 19771 638 1 3 . 1 1 458 458 ARG H H 458 9.300 9.300 9.029 0.271 19771 639 1 3 . 1 1 459 459 SER N N 459 114.502 114.502 113.895 0.607 19771 640 1 3 . 1 1 459 459 SER HA H 459 4.424 4.424 3.940 0.484 19771 641 1 3 . 1 1 459 459 SER CA C 459 62.116 62.116 60.869 1.247 19771 642 1 3 . 1 1 459 459 SER CB C 459 62.828 62.828 62.959 -0.131 19771 643 1 3 . 1 1 459 459 SER H H 459 8.482 8.482 8.226 0.256 19771 644 1 3 . 1 1 460 460 CYS N N 460 126.957 126.957 116.655 10.302 19771 645 1 3 . 1 1 460 460 CYS HA H 460 4.402 4.402 4.155 0.247 19771 646 1 3 . 1 1 460 460 CYS CA C 460 65.041 65.041 58.238 6.803 19771 647 1 3 . 1 1 460 460 CYS CB C 460 30.694 30.694 26.558 4.136 19771 648 1 3 . 1 1 460 460 CYS H H 460 9.474 9.474 7.401 2.073 19771 649 1 3 . 1 1 461 461 TRP N N 461 121.032 121.032 123.848 -2.816 19771 650 1 3 . 1 1 461 461 TRP HA H 461 3.259 3.259 4.024 -0.765 19771 651 1 3 . 1 1 461 461 TRP CA C 461 62.794 62.794 60.948 1.846 19771 652 1 3 . 1 1 461 461 TRP CB C 461 27.672 27.672 28.982 -1.310 19771 653 1 3 . 1 1 461 461 TRP H H 461 9.553 9.553 8.480 1.073 19771 654 1 3 . 1 1 462 462 HIS N N 462 119.358 119.358 115.295 4.063 19771 655 1 3 . 1 1 462 462 HIS HA H 462 4.280 4.280 4.570 -0.290 19771 656 1 3 . 1 1 462 462 HIS CA C 462 59.828 59.828 58.935 0.893 19771 657 1 3 . 1 1 462 462 HIS CB C 462 30.330 30.330 29.410 0.920 19771 658 1 3 . 1 1 462 462 HIS H H 462 8.007 8.007 7.455 0.552 19771 659 1 3 . 1 1 463 463 TRP N N 463 121.005 121.005 119.083 1.922 19771 660 1 3 . 1 1 463 463 TRP HA H 463 4.179 4.179 4.575 -0.396 19771 661 1 3 . 1 1 463 463 TRP CA C 463 60.915 60.915 59.356 1.558 19771 662 1 3 . 1 1 463 463 TRP CB C 463 28.556 28.556 28.572 -0.016 19771 663 1 3 . 1 1 463 463 TRP H H 463 8.146 8.146 7.478 0.668 19771 664 1 3 . 1 1 464 464 ARG N N 464 117.937 117.937 117.161 0.776 19771 665 1 3 . 1 1 464 464 ARG HA H 464 3.160 3.160 4.141 -0.981 19771 666 1 3 . 1 1 464 464 ARG CA C 464 57.153 57.153 56.603 0.550 19771 667 1 3 . 1 1 464 464 ARG CB C 464 29.998 29.998 30.838 -0.840 19771 668 1 3 . 1 1 464 464 ARG H H 464 8.136 8.136 7.143 0.993 19771 669 1 3 . 1 1 465 465 HIS N N 465 109.139 109.139 116.493 -7.354 19771 670 1 3 . 1 1 465 465 HIS HA H 465 3.729 3.729 4.570 -0.841 19771 671 1 3 . 1 1 465 465 HIS CA C 465 58.797 58.797 55.991 2.806 19771 672 1 3 . 1 1 465 465 HIS CB C 465 25.377 25.377 30.455 -5.078 19771 673 1 3 . 1 1 465 465 HIS H H 465 7.359 7.359 7.918 -0.559 19771 674 1 3 . 1 1 466 466 SER N N 466 112.123 112.123 115.002 -2.879 19771 675 1 3 . 1 1 466 466 SER HA H 466 4.273 4.273 4.341 -0.068 19771 676 1 3 . 1 1 466 466 SER CA C 466 58.999 58.999 58.677 0.322 19771 677 1 3 . 1 1 466 466 SER CB C 466 63.431 63.431 63.444 -0.013 19771 678 1 3 . 1 1 466 466 SER H H 466 6.897 6.897 7.794 -0.897 19771 679 1 3 . 1 1 467 467 MET N N 467 121.282 121.282 119.122 2.160 19771 680 1 3 . 1 1 467 467 MET HA H 467 4.133 4.133 4.619 -0.486 19771 681 1 3 . 1 1 467 467 MET CA C 467 55.435 55.435 56.128 -0.693 19771 682 1 3 . 1 1 467 467 MET CB C 467 33.206 33.206 33.685 -0.479 19771 683 1 3 . 1 1 467 467 MET H H 467 6.766 6.766 7.323 -0.557 19771 684 1 3 . 1 1 468 468 GLU N N 468 122.864 122.864 121.877 0.987 19771 685 1 3 . 1 1 468 468 GLU HA H 468 3.754 3.754 4.193 -0.439 19771 686 1 3 . 1 1 468 468 GLU CA C 468 58.708 58.708 58.074 0.634 19771 687 1 3 . 1 1 468 468 GLU CB C 468 29.457 29.457 29.166 0.291 19771 688 1 3 . 1 1 468 468 GLU H H 468 8.455 8.455 8.855 -0.400 19771 689 1 3 . 1 1 469 469 GLY N N 469 112.643 112.643 106.284 6.359 19771 690 1 3 . 1 1 469 469 GLY CA C 469 45.398 45.398 45.592 -0.194 19771 691 1 3 . 1 1 469 469 GLY H H 469 8.893 8.893 8.093 0.800 19771 692 1 3 . 1 1 470 470 LEU N N 470 118.167 118.167 118.518 -0.351 19771 693 1 3 . 1 1 470 470 LEU HA H 470 3.862 3.862 4.469 -0.607 19771 694 1 3 . 1 1 470 470 LEU CA C 470 54.284 54.284 53.175 1.109 19771 695 1 3 . 1 1 470 470 LEU CB C 470 42.923 42.923 41.672 1.251 19771 696 1 3 . 1 1 470 470 LEU H H 470 7.642 7.642 7.219 0.423 19771 697 1 3 . 1 1 471 471 ARG N N 471 115.958 115.958 119.213 -3.255 19771 698 1 3 . 1 1 471 471 ARG HA H 471 4.328 4.328 4.030 0.298 19771 699 1 3 . 1 1 471 471 ARG CA C 471 58.357 58.357 58.161 0.196 19771 700 1 3 . 1 1 471 471 ARG CB C 471 30.183 30.183 29.753 0.430 19771 701 1 3 . 1 1 471 471 ARG H H 471 7.256 7.256 8.003 -0.747 19771 702 1 3 . 1 1 472 472 HIS N N 472 113.710 113.710 113.767 -0.057 19771 703 1 3 . 1 1 472 472 HIS HA H 472 4.635 4.635 4.774 -0.139 19771 704 1 3 . 1 1 472 472 HIS CA C 472 56.199 56.199 54.966 1.233 19771 705 1 3 . 1 1 472 472 HIS CB C 472 30.157 30.157 29.235 0.922 19771 706 1 3 . 1 1 472 472 HIS H H 472 8.410 8.410 7.920 0.490 19771 707 1 3 . 1 1 473 473 HIS N N 473 122.456 122.456 120.743 1.713 19771 708 1 3 . 1 1 473 473 HIS HA H 473 4.418 4.418 4.318 0.100 19771 709 1 3 . 1 1 473 473 HIS CA C 473 55.485 55.485 56.304 -0.819 19771 710 1 3 . 1 1 473 473 HIS CB C 473 31.291 31.291 30.279 1.012 19771 711 1 3 . 1 1 473 473 HIS H H 473 6.899 6.899 7.141 -0.242 19771 712 1 3 . 1 1 474 474 SER N N 474 117.590 117.590 116.415 1.175 19771 713 1 3 . 1 1 474 474 SER HA H 474 5.065 5.065 4.921 0.144 19771 714 1 3 . 1 1 474 474 SER CA C 474 55.164 55.164 56.285 -1.121 19771 715 1 3 . 1 1 474 474 SER CB C 474 64.749 64.749 66.113 -1.364 19771 716 1 3 . 1 1 474 474 SER H H 474 8.600 8.600 8.389 0.211 19771 717 1 3 . 1 1 475 475 PRO HA H 475 4.258 4.258 4.353 -0.095 19771 718 1 3 . 1 1 475 475 PRO CA C 475 62.975 62.975 63.034 -0.059 19771 719 1 3 . 1 1 475 475 PRO CB C 475 31.696 31.696 31.939 -0.243 19771 720 1 3 . 1 1 476 476 LEU N N 476 123.672 123.672 121.086 2.586 19771 721 1 3 . 1 1 476 476 LEU CB C 476 44.146 44.146 46.392 -2.245 19771 722 1 3 . 1 1 476 476 LEU H H 476 8.843 8.843 8.219 0.624 19771 723 1 3 . 1 1 477 477 MET N N 477 122.428 122.428 120.641 1.787 19771 724 1 3 . 1 1 477 477 MET HA H 477 4.918 4.918 4.939 -0.021 19771 725 1 3 . 1 1 477 477 MET CA C 477 54.604 54.604 54.632 -0.028 19771 726 1 3 . 1 1 477 477 MET CB C 477 34.225 34.225 36.569 -2.344 19771 727 1 3 . 1 1 477 477 MET H H 477 8.564 8.564 8.446 0.118 19771 728 1 3 . 1 1 478 478 ARG N N 478 123.419 123.419 122.849 0.570 19771 729 1 3 . 1 1 478 478 ARG CB C 478 32.024 32.024 29.627 2.397 19771 730 1 3 . 1 1 478 478 ARG H H 478 8.825 8.825 8.870 -0.045 19771 731 1 3 . 1 1 481 481 LYS N N 481 122.000 122.000 118.379 3.621 19771 732 1 3 . 1 1 481 481 LYS H H 481 8.284 8.284 8.641 -0.357 19771 733 1 3 . 1 1 482 482 ASN N N 482 119.466 119.466 118.275 1.191 19771 734 1 3 . 1 1 482 482 ASN H H 482 8.379 8.379 8.103 0.276 19771 735 1 3 . 1 1 483 483 ARG N N 483 121.400 121.400 121.476 -0.076 19771 736 1 3 . 1 1 483 483 ARG H H 483 8.302 8.302 8.408 -0.106 19771 737 1 3 . 1 1 485 485 SER N N 485 115.800 115.800 114.930 0.870 19771 738 1 3 . 1 1 485 485 SER H H 485 8.112 8.112 8.347 -0.235 19771 739 1 4 . 1 1 427 427 ASP N N 427 125.779 125.779 120.979 4.800 19771 740 1 4 . 1 1 427 427 ASP HA H 427 4.829 4.829 4.983 -0.154 19771 741 1 4 . 1 1 427 427 ASP CA C 427 52.150 52.150 52.730 -0.580 19771 742 1 4 . 1 1 427 427 ASP CB C 427 41.537 41.537 43.655 -2.118 19771 743 1 4 . 1 1 427 427 ASP H H 427 8.293 8.293 8.286 0.007 19771 744 1 4 . 1 1 428 428 PRO HA H 428 4.229 4.229 4.208 0.021 19771 745 1 4 . 1 1 428 428 PRO CA C 428 63.337 63.337 63.773 -0.436 19771 746 1 4 . 1 1 428 428 PRO CB C 428 32.019 32.019 31.952 0.067 19771 747 1 4 . 1 1 429 429 TYR N N 429 119.152 119.152 113.727 5.425 19771 748 1 4 . 1 1 429 429 TYR HA H 429 4.421 4.421 4.233 0.188 19771 749 1 4 . 1 1 429 429 TYR CA C 429 57.961 57.961 58.586 -0.625 19771 750 1 4 . 1 1 429 429 TYR CB C 429 37.968 37.968 36.551 1.417 19771 751 1 4 . 1 1 429 429 TYR H H 429 8.136 8.136 8.312 -0.176 19771 752 1 4 . 1 1 430 430 LEU N N 430 122.733 122.733 119.971 2.762 19771 753 1 4 . 1 1 430 430 LEU HA H 430 4.205 4.205 4.642 -0.437 19771 754 1 4 . 1 1 430 430 LEU CA C 430 54.950 54.950 53.868 1.082 19771 755 1 4 . 1 1 430 430 LEU CB C 430 42.474 42.474 45.401 -2.927 19771 756 1 4 . 1 1 430 430 LEU H H 430 7.596 7.596 7.530 0.066 19771 757 1 4 . 1 1 431 431 GLU N N 431 120.614 120.614 119.794 0.820 19771 758 1 4 . 1 1 431 431 GLU H H 431 8.157 8.157 8.352 -0.195 19771 759 1 4 . 1 1 432 432 ASP HA H 432 4.387 4.387 4.816 -0.429 19771 760 1 4 . 1 1 432 432 ASP CA C 432 54.365 54.365 53.897 0.468 19771 761 1 4 . 1 1 432 432 ASP CB C 432 41.027 41.027 43.265 -2.238 19771 762 1 4 . 1 1 433 433 SER N N 433 116.511 116.511 116.652 -0.141 19771 763 1 4 . 1 1 433 433 SER HA H 433 4.222 4.222 3.696 0.526 19771 764 1 4 . 1 1 433 433 SER CA C 433 57.811 57.811 58.854 -1.043 19771 765 1 4 . 1 1 433 433 SER CB C 433 64.342 64.342 63.132 1.210 19771 766 1 4 . 1 1 433 433 SER H H 433 7.926 7.926 8.424 -0.498 19771 767 1 4 . 1 1 434 434 LEU N N 434 124.239 124.239 122.292 1.947 19771 768 1 4 . 1 1 434 434 LEU HA H 434 4.301 4.301 4.227 0.074 19771 769 1 4 . 1 1 434 434 LEU CA C 434 54.780 54.780 56.419 -1.639 19771 770 1 4 . 1 1 434 434 LEU CB C 434 43.682 43.682 42.832 0.850 19771 771 1 4 . 1 1 434 434 LEU H H 434 8.161 8.161 7.707 0.454 19771 772 1 4 . 1 1 435 435 CYS N N 435 121.658 121.658 123.388 -1.730 19771 773 1 4 . 1 1 435 435 CYS HA H 435 3.767 3.767 4.160 -0.393 19771 774 1 4 . 1 1 435 435 CYS CA C 435 60.505 60.505 59.340 1.165 19771 775 1 4 . 1 1 435 435 CYS CB C 435 31.833 31.833 27.382 4.451 19771 776 1 4 . 1 1 435 435 CYS H H 435 8.341 8.341 8.107 0.234 19771 777 1 4 . 1 1 436 436 HIS N N 436 129.654 129.654 129.184 0.470 19771 778 1 4 . 1 1 436 436 HIS HA H 436 4.436 4.436 4.529 -0.093 19771 779 1 4 . 1 1 436 436 HIS CA C 436 58.775 58.775 57.083 1.692 19771 780 1 4 . 1 1 436 436 HIS CB C 436 32.431 32.431 29.898 2.533 19771 781 1 4 . 1 1 436 436 HIS H H 436 9.087 9.087 8.653 0.434 19771 782 1 4 . 1 1 437 437 ILE N N 437 121.647 121.647 117.374 4.273 19771 783 1 4 . 1 1 437 437 ILE HA H 437 4.122 4.122 4.383 -0.261 19771 784 1 4 . 1 1 437 437 ILE CA C 437 61.632 61.632 62.095 -0.463 19771 785 1 4 . 1 1 437 437 ILE CB C 437 35.149 35.149 39.783 -4.634 19771 786 1 4 . 1 1 437 437 ILE H H 437 9.294 9.294 7.840 1.454 19771 787 1 4 . 1 1 438 438 CYS N N 438 118.756 118.756 118.265 0.491 19771 788 1 4 . 1 1 438 438 CYS HA H 438 4.719 4.719 4.848 -0.129 19771 789 1 4 . 1 1 438 438 CYS CB C 438 31.931 31.931 29.667 2.264 19771 790 1 4 . 1 1 438 438 CYS H H 438 8.503 8.503 7.942 0.561 19771 791 1 4 . 1 1 439 439 SER N N 439 116.341 116.341 116.615 -0.274 19771 792 1 4 . 1 1 439 439 SER HA H 439 4.348 4.348 4.159 0.189 19771 793 1 4 . 1 1 439 439 SER CA C 439 60.131 60.131 59.872 0.259 19771 794 1 4 . 1 1 439 439 SER CB C 439 62.642 62.642 62.071 0.571 19771 795 1 4 . 1 1 439 439 SER H H 439 7.561 7.561 8.340 -0.779 19771 796 1 4 . 1 1 440 440 SER N N 440 113.455 113.455 113.208 0.247 19771 797 1 4 . 1 1 440 440 SER HA H 440 4.777 4.777 4.601 0.176 19771 798 1 4 . 1 1 440 440 SER CA C 440 58.703 58.703 58.882 -0.179 19771 799 1 4 . 1 1 440 440 SER CB C 440 65.681 65.681 64.047 1.634 19771 800 1 4 . 1 1 440 440 SER H H 440 8.272 8.272 8.020 0.252 19771 801 1 4 . 1 1 441 441 GLN N N 441 118.674 118.674 119.457 -0.783 19771 802 1 4 . 1 1 441 441 GLN HA H 441 4.865 4.865 4.789 0.076 19771 803 1 4 . 1 1 441 441 GLN CA C 441 52.802 52.802 53.163 -0.361 19771 804 1 4 . 1 1 441 441 GLN CB C 441 30.560 30.560 29.088 1.472 19771 805 1 4 . 1 1 441 441 GLN H H 441 7.355 7.355 7.956 -0.601 19771 806 1 4 . 1 1 442 442 PRO HA H 442 4.349 4.349 4.285 0.064 19771 807 1 4 . 1 1 442 442 PRO CA C 442 63.693 63.693 63.285 0.408 19771 808 1 4 . 1 1 442 442 PRO CB C 442 32.549 32.549 31.413 1.136 19771 809 1 4 . 1 1 443 443 GLY N N 443 110.126 110.126 108.692 1.434 19771 810 1 4 . 1 1 443 443 GLY CA C 443 46.097 46.097 44.429 1.668 19771 811 1 4 . 1 1 443 443 GLY H H 443 8.819 8.819 7.718 1.101 19771 812 1 4 . 1 1 444 444 PRO HA H 444 4.387 4.387 4.159 0.228 19771 813 1 4 . 1 1 444 444 PRO CA C 444 63.025 63.025 63.814 -0.789 19771 814 1 4 . 1 1 444 444 PRO CB C 444 32.737 32.737 31.622 1.115 19771 815 1 4 . 1 1 445 445 PHE N N 445 116.262 116.262 116.781 -0.519 19771 816 1 4 . 1 1 445 445 PHE HA H 445 4.962 4.962 5.065 -0.103 19771 817 1 4 . 1 1 445 445 PHE CA C 445 56.014 56.014 56.636 -0.623 19771 818 1 4 . 1 1 445 445 PHE CB C 445 40.028 40.028 43.492 -3.463 19771 819 1 4 . 1 1 445 445 PHE H H 445 8.066 8.066 7.783 0.283 19771 820 1 4 . 1 1 446 446 PHE N N 446 126.081 126.081 121.084 4.997 19771 821 1 4 . 1 1 446 446 PHE HA H 446 5.050 5.050 5.307 -0.257 19771 822 1 4 . 1 1 446 446 PHE CA C 446 56.775 56.775 56.563 0.212 19771 823 1 4 . 1 1 446 446 PHE CB C 446 41.731 41.731 43.326 -1.595 19771 824 1 4 . 1 1 446 446 PHE H H 446 9.446 9.446 8.736 0.710 19771 825 1 4 . 1 1 447 447 CYS N N 447 128.746 128.746 124.481 4.265 19771 826 1 4 . 1 1 447 447 CYS HA H 447 4.874 4.874 4.969 -0.095 19771 827 1 4 . 1 1 447 447 CYS CA C 447 58.263 58.263 57.527 0.736 19771 828 1 4 . 1 1 447 447 CYS CB C 447 30.994 30.994 30.538 0.456 19771 829 1 4 . 1 1 447 447 CYS H H 447 7.729 7.729 7.496 0.233 19771 830 1 4 . 1 1 448 448 ARG N N 448 125.530 125.530 124.088 1.442 19771 831 1 4 . 1 1 448 448 ARG HA H 448 4.080 4.080 4.642 -0.562 19771 832 1 4 . 1 1 448 448 ARG CA C 448 55.854 55.854 55.150 0.704 19771 833 1 4 . 1 1 448 448 ARG CB C 448 31.200 31.200 31.644 -0.444 19771 834 1 4 . 1 1 448 448 ARG H H 448 8.783 8.783 8.659 0.124 19771 835 1 4 . 1 1 449 449 ASP N N 449 123.969 123.969 120.116 3.853 19771 836 1 4 . 1 1 449 449 ASP HA H 449 4.155 4.155 4.371 -0.216 19771 837 1 4 . 1 1 449 449 ASP CA C 449 56.118 56.118 54.514 1.603 19771 838 1 4 . 1 1 449 449 ASP CB C 449 43.634 43.634 40.877 2.757 19771 839 1 4 . 1 1 449 449 ASP H H 449 8.117 8.117 7.296 0.821 19771 840 1 4 . 1 1 450 450 GLN N N 450 125.410 125.410 119.747 5.663 19771 841 1 4 . 1 1 450 450 GLN HA H 450 3.832 3.832 4.072 -0.240 19771 842 1 4 . 1 1 450 450 GLN CA C 450 59.127 59.127 58.600 0.527 19771 843 1 4 . 1 1 450 450 GLN CB C 450 28.699 28.699 28.753 -0.055 19771 844 1 4 . 1 1 450 450 GLN H H 450 8.670 8.670 8.813 -0.143 19771 845 1 4 . 1 1 451 451 VAL N N 451 113.164 113.164 108.592 4.572 19771 846 1 4 . 1 1 451 451 VAL HA H 451 4.240 4.240 4.479 -0.239 19771 847 1 4 . 1 1 451 451 VAL CA C 451 63.199 63.199 60.694 2.505 19771 848 1 4 . 1 1 451 451 VAL CB C 451 31.439 31.439 32.688 -1.249 19771 849 1 4 . 1 1 451 451 VAL H H 451 8.591 8.591 7.492 1.099 19771 850 1 4 . 1 1 452 452 CYS N N 452 120.986 120.986 120.820 0.166 19771 851 1 4 . 1 1 452 452 CYS HA H 452 4.502 4.502 4.849 -0.347 19771 852 1 4 . 1 1 452 452 CYS CA C 452 60.474 60.474 59.357 1.117 19771 853 1 4 . 1 1 452 452 CYS CB C 452 31.715 31.715 29.426 2.289 19771 854 1 4 . 1 1 452 452 CYS H H 452 7.963 7.963 7.280 0.683 19771 855 1 4 . 1 1 453 453 PHE N N 453 129.406 129.406 120.314 9.092 19771 856 1 4 . 1 1 453 453 PHE HA H 453 4.121 4.121 4.689 -0.568 19771 857 1 4 . 1 1 453 453 PHE CA C 453 59.700 59.700 57.619 2.081 19771 858 1 4 . 1 1 453 453 PHE CB C 453 38.328 38.328 40.349 -2.021 19771 859 1 4 . 1 1 453 453 PHE H H 453 7.880 7.880 8.638 -0.758 19771 860 1 4 . 1 1 454 454 LYS N N 454 113.628 113.628 117.971 -4.343 19771 861 1 4 . 1 1 454 454 LYS HA H 454 4.423 4.423 4.896 -0.473 19771 862 1 4 . 1 1 454 454 LYS CA C 454 54.050 54.050 54.030 0.020 19771 863 1 4 . 1 1 454 454 LYS CB C 454 37.833 37.833 36.248 1.585 19771 864 1 4 . 1 1 454 454 LYS H H 454 6.384 6.384 7.490 -1.106 19771 865 1 4 . 1 1 455 455 TYR N N 455 117.756 117.756 117.646 0.110 19771 866 1 4 . 1 1 455 455 TYR HA H 455 5.111 5.111 4.618 0.493 19771 867 1 4 . 1 1 455 455 TYR CA C 455 58.616 58.616 59.210 -0.594 19771 868 1 4 . 1 1 455 455 TYR CB C 455 39.956 39.956 39.303 0.653 19771 869 1 4 . 1 1 455 455 TYR H H 455 7.100 7.100 7.532 -0.432 19771 870 1 4 . 1 1 456 456 PHE N N 456 117.529 117.529 118.207 -0.678 19771 871 1 4 . 1 1 456 456 PHE HA H 456 6.342 6.342 5.080 1.262 19771 872 1 4 . 1 1 456 456 PHE CA C 456 57.017 57.017 56.679 0.338 19771 873 1 4 . 1 1 456 456 PHE CB C 456 45.138 45.138 44.230 0.908 19771 874 1 4 . 1 1 456 456 PHE H H 456 9.527 9.527 8.928 0.599 19771 875 1 4 . 1 1 457 457 CYS N N 457 119.575 119.575 116.741 2.834 19771 876 1 4 . 1 1 457 457 CYS HA H 457 5.435 5.435 5.280 0.155 19771 877 1 4 . 1 1 457 457 CYS CA C 457 58.044 58.044 56.725 1.319 19771 878 1 4 . 1 1 457 457 CYS CB C 457 32.277 32.277 31.261 1.016 19771 879 1 4 . 1 1 457 457 CYS H H 457 9.710 9.710 8.992 0.718 19771 880 1 4 . 1 1 458 458 ARG N N 458 120.479 120.479 120.951 -0.472 19771 881 1 4 . 1 1 458 458 ARG HA H 458 3.750 3.750 3.834 -0.084 19771 882 1 4 . 1 1 458 458 ARG CA C 458 60.863 60.863 59.999 0.864 19771 883 1 4 . 1 1 458 458 ARG CB C 458 30.407 30.407 30.248 0.159 19771 884 1 4 . 1 1 458 458 ARG H H 458 9.300 9.300 8.956 0.344 19771 885 1 4 . 1 1 459 459 SER N N 459 114.502 114.502 114.686 -0.184 19771 886 1 4 . 1 1 459 459 SER HA H 459 4.424 4.424 3.921 0.503 19771 887 1 4 . 1 1 459 459 SER CA C 459 62.116 62.116 60.969 1.147 19771 888 1 4 . 1 1 459 459 SER CB C 459 62.828 62.828 62.989 -0.161 19771 889 1 4 . 1 1 459 459 SER H H 459 8.482 8.482 8.059 0.423 19771 890 1 4 . 1 1 460 460 CYS N N 460 126.957 126.957 116.984 9.973 19771 891 1 4 . 1 1 460 460 CYS HA H 460 4.402 4.402 4.104 0.298 19771 892 1 4 . 1 1 460 460 CYS CA C 460 65.041 65.041 58.856 6.185 19771 893 1 4 . 1 1 460 460 CYS CB C 460 30.694 30.694 26.260 4.434 19771 894 1 4 . 1 1 460 460 CYS H H 460 9.474 9.474 7.278 2.196 19771 895 1 4 . 1 1 461 461 TRP N N 461 121.032 121.032 124.019 -2.987 19771 896 1 4 . 1 1 461 461 TRP HA H 461 3.259 3.259 4.096 -0.837 19771 897 1 4 . 1 1 461 461 TRP CA C 461 62.794 62.794 60.847 1.946 19771 898 1 4 . 1 1 461 461 TRP CB C 461 27.672 27.672 28.755 -1.083 19771 899 1 4 . 1 1 461 461 TRP H H 461 9.553 9.553 8.326 1.227 19771 900 1 4 . 1 1 462 462 HIS N N 462 119.358 119.358 114.789 4.569 19771 901 1 4 . 1 1 462 462 HIS HA H 462 4.280 4.280 4.579 -0.299 19771 902 1 4 . 1 1 462 462 HIS CA C 462 59.828 59.828 58.772 1.056 19771 903 1 4 . 1 1 462 462 HIS CB C 462 30.330 30.330 29.110 1.220 19771 904 1 4 . 1 1 462 462 HIS H H 462 8.007 8.007 7.500 0.507 19771 905 1 4 . 1 1 463 463 TRP N N 463 121.005 121.005 117.388 3.617 19771 906 1 4 . 1 1 463 463 TRP HA H 463 4.179 4.179 4.619 -0.440 19771 907 1 4 . 1 1 463 463 TRP CA C 463 60.915 60.915 58.394 2.521 19771 908 1 4 . 1 1 463 463 TRP CB C 463 28.556 28.556 28.848 -0.292 19771 909 1 4 . 1 1 463 463 TRP H H 463 8.146 8.146 7.349 0.797 19771 910 1 4 . 1 1 464 464 ARG N N 464 117.937 117.937 116.624 1.313 19771 911 1 4 . 1 1 464 464 ARG HA H 464 3.160 3.160 4.286 -1.126 19771 912 1 4 . 1 1 464 464 ARG CA C 464 57.153 57.153 56.130 1.023 19771 913 1 4 . 1 1 464 464 ARG CB C 464 29.998 29.998 31.684 -1.686 19771 914 1 4 . 1 1 464 464 ARG H H 464 8.136 8.136 7.381 0.755 19771 915 1 4 . 1 1 465 465 HIS N N 465 109.139 109.139 118.506 -9.367 19771 916 1 4 . 1 1 465 465 HIS HA H 465 3.729 3.729 4.235 -0.506 19771 917 1 4 . 1 1 465 465 HIS CA C 465 58.797 58.797 56.586 2.211 19771 918 1 4 . 1 1 465 465 HIS CB C 465 25.377 25.377 29.118 -3.741 19771 919 1 4 . 1 1 465 465 HIS H H 465 7.359 7.359 8.208 -0.849 19771 920 1 4 . 1 1 466 466 SER N N 466 112.123 112.123 113.701 -1.578 19771 921 1 4 . 1 1 466 466 SER HA H 466 4.273 4.273 4.378 -0.105 19771 922 1 4 . 1 1 466 466 SER CA C 466 58.999 58.999 59.022 -0.023 19771 923 1 4 . 1 1 466 466 SER CB C 466 63.431 63.431 63.298 0.133 19771 924 1 4 . 1 1 466 466 SER H H 466 6.897 6.897 8.313 -1.416 19771 925 1 4 . 1 1 467 467 MET N N 467 121.282 121.282 120.455 0.827 19771 926 1 4 . 1 1 467 467 MET HA H 467 4.133 4.133 4.816 -0.683 19771 927 1 4 . 1 1 467 467 MET CA C 467 55.435 55.435 54.870 0.565 19771 928 1 4 . 1 1 467 467 MET CB C 467 33.206 33.206 34.660 -1.454 19771 929 1 4 . 1 1 467 467 MET H H 467 6.766 6.766 7.445 -0.679 19771 930 1 4 . 1 1 468 468 GLU N N 468 122.864 122.864 120.307 2.557 19771 931 1 4 . 1 1 468 468 GLU HA H 468 3.754 3.754 4.181 -0.427 19771 932 1 4 . 1 1 468 468 GLU CA C 468 58.708 58.708 58.160 0.548 19771 933 1 4 . 1 1 468 468 GLU CB C 468 29.457 29.457 29.443 0.014 19771 934 1 4 . 1 1 468 468 GLU H H 468 8.455 8.455 8.890 -0.435 19771 935 1 4 . 1 1 469 469 GLY N N 469 112.643 112.643 105.947 6.696 19771 936 1 4 . 1 1 469 469 GLY CA C 469 45.398 45.398 45.333 0.065 19771 937 1 4 . 1 1 469 469 GLY H H 469 8.893 8.893 8.343 0.550 19771 938 1 4 . 1 1 470 470 LEU N N 470 118.167 118.167 117.641 0.526 19771 939 1 4 . 1 1 470 470 LEU HA H 470 3.862 3.862 4.041 -0.179 19771 940 1 4 . 1 1 470 470 LEU CA C 470 54.284 54.284 54.013 0.271 19771 941 1 4 . 1 1 470 470 LEU CB C 470 42.923 42.923 42.015 0.908 19771 942 1 4 . 1 1 470 470 LEU H H 470 7.642 7.642 7.453 0.189 19771 943 1 4 . 1 1 471 471 ARG N N 471 115.958 115.958 119.311 -3.353 19771 944 1 4 . 1 1 471 471 ARG HA H 471 4.328 4.328 4.150 0.178 19771 945 1 4 . 1 1 471 471 ARG CA C 471 58.357 58.357 57.858 0.499 19771 946 1 4 . 1 1 471 471 ARG CB C 471 30.183 30.183 29.660 0.523 19771 947 1 4 . 1 1 471 471 ARG H H 471 7.256 7.256 7.668 -0.412 19771 948 1 4 . 1 1 472 472 HIS N N 472 113.710 113.710 113.926 -0.216 19771 949 1 4 . 1 1 472 472 HIS HA H 472 4.635 4.635 4.760 -0.125 19771 950 1 4 . 1 1 472 472 HIS CA C 472 56.199 56.199 54.861 1.338 19771 951 1 4 . 1 1 472 472 HIS CB C 472 30.157 30.157 29.293 0.864 19771 952 1 4 . 1 1 472 472 HIS H H 472 8.410 8.410 7.826 0.584 19771 953 1 4 . 1 1 473 473 HIS N N 473 122.456 122.456 120.593 1.863 19771 954 1 4 . 1 1 473 473 HIS HA H 473 4.418 4.418 4.686 -0.268 19771 955 1 4 . 1 1 473 473 HIS CA C 473 55.485 55.485 56.257 -0.772 19771 956 1 4 . 1 1 473 473 HIS CB C 473 31.291 31.291 30.673 0.618 19771 957 1 4 . 1 1 473 473 HIS H H 473 6.899 6.899 7.303 -0.404 19771 958 1 4 . 1 1 474 474 SER N N 474 117.590 117.590 117.111 0.479 19771 959 1 4 . 1 1 474 474 SER HA H 474 5.065 5.065 4.944 0.121 19771 960 1 4 . 1 1 474 474 SER CA C 474 55.164 55.164 55.695 -0.531 19771 961 1 4 . 1 1 474 474 SER CB C 474 64.749 64.749 65.106 -0.357 19771 962 1 4 . 1 1 474 474 SER H H 474 8.600 8.600 8.475 0.125 19771 963 1 4 . 1 1 475 475 PRO HA H 475 4.258 4.258 4.757 -0.499 19771 964 1 4 . 1 1 475 475 PRO CA C 475 62.975 62.975 62.599 0.376 19771 965 1 4 . 1 1 475 475 PRO CB C 475 31.696 31.696 32.170 -0.474 19771 966 1 4 . 1 1 476 476 LEU N N 476 123.672 123.672 122.783 0.889 19771 967 1 4 . 1 1 476 476 LEU CB C 476 44.146 44.146 45.477 -1.331 19771 968 1 4 . 1 1 476 476 LEU H H 476 8.843 8.843 8.902 -0.059 19771 969 1 4 . 1 1 477 477 MET N N 477 122.428 122.428 118.606 3.822 19771 970 1 4 . 1 1 477 477 MET HA H 477 4.918 4.918 4.998 -0.080 19771 971 1 4 . 1 1 477 477 MET CA C 477 54.604 54.604 53.752 0.852 19771 972 1 4 . 1 1 477 477 MET CB C 477 34.225 34.225 34.903 -0.678 19771 973 1 4 . 1 1 477 477 MET H H 477 8.564 8.564 8.317 0.247 19771 974 1 4 . 1 1 478 478 ARG N N 478 123.419 123.419 121.677 1.742 19771 975 1 4 . 1 1 478 478 ARG CB C 478 32.024 32.024 31.997 0.027 19771 976 1 4 . 1 1 478 478 ARG H H 478 8.825 8.825 8.419 0.406 19771 977 1 4 . 1 1 481 481 LYS N N 481 122.000 122.000 118.654 3.346 19771 978 1 4 . 1 1 481 481 LYS H H 481 8.284 8.284 8.006 0.278 19771 979 1 4 . 1 1 482 482 ASN N N 482 119.466 119.466 117.374 2.092 19771 980 1 4 . 1 1 482 482 ASN H H 482 8.379 8.379 7.771 0.608 19771 981 1 4 . 1 1 483 483 ARG N N 483 121.400 121.400 119.335 2.065 19771 982 1 4 . 1 1 483 483 ARG H H 483 8.302 8.302 8.630 -0.328 19771 983 1 4 . 1 1 485 485 SER N N 485 115.800 115.800 116.474 -0.674 19771 984 1 4 . 1 1 485 485 SER H H 485 8.112 8.112 8.228 -0.116 19771 985 1 5 . 1 1 427 427 ASP N N 427 125.779 125.779 125.077 0.702 19771 986 1 5 . 1 1 427 427 ASP HA H 427 4.829 4.829 4.929 -0.100 19771 987 1 5 . 1 1 427 427 ASP CA C 427 52.150 52.150 53.226 -1.076 19771 988 1 5 . 1 1 427 427 ASP CB C 427 41.537 41.537 41.174 0.363 19771 989 1 5 . 1 1 427 427 ASP H H 427 8.293 8.293 8.578 -0.285 19771 990 1 5 . 1 1 428 428 PRO HA H 428 4.229 4.229 4.632 -0.403 19771 991 1 5 . 1 1 428 428 PRO CA C 428 63.337 63.337 62.762 0.575 19771 992 1 5 . 1 1 428 428 PRO CB C 428 32.019 32.019 32.599 -0.580 19771 993 1 5 . 1 1 429 429 TYR N N 429 119.152 119.152 119.185 -0.033 19771 994 1 5 . 1 1 429 429 TYR HA H 429 4.421 4.421 4.678 -0.257 19771 995 1 5 . 1 1 429 429 TYR CA C 429 57.961 57.961 57.807 0.154 19771 996 1 5 . 1 1 429 429 TYR CB C 429 37.968 37.968 40.090 -2.122 19771 997 1 5 . 1 1 429 429 TYR H H 429 8.136 8.136 8.354 -0.218 19771 998 1 5 . 1 1 430 430 LEU N N 430 122.733 122.733 125.442 -2.709 19771 999 1 5 . 1 1 430 430 LEU HA H 430 4.205 4.205 4.758 -0.553 19771 1000 1 5 . 1 1 430 430 LEU CA C 430 54.950 54.950 53.553 1.397 19771 1001 1 5 . 1 1 430 430 LEU CB C 430 42.474 42.474 45.820 -3.346 19771 1002 1 5 . 1 1 430 430 LEU H H 430 7.596 7.596 7.837 -0.241 19771 1003 1 5 . 1 1 431 431 GLU N N 431 120.614 120.614 120.015 0.599 19771 1004 1 5 . 1 1 431 431 GLU H H 431 8.157 8.157 8.167 -0.010 19771 1005 1 5 . 1 1 432 432 ASP HA H 432 4.387 4.387 4.612 -0.225 19771 1006 1 5 . 1 1 432 432 ASP CA C 432 54.365 54.365 52.936 1.429 19771 1007 1 5 . 1 1 432 432 ASP CB C 432 41.027 41.027 42.379 -1.352 19771 1008 1 5 . 1 1 433 433 SER N N 433 116.511 116.511 114.832 1.679 19771 1009 1 5 . 1 1 433 433 SER HA H 433 4.222 4.222 3.921 0.301 19771 1010 1 5 . 1 1 433 433 SER CA C 433 57.811 57.811 57.255 0.556 19771 1011 1 5 . 1 1 433 433 SER CB C 433 64.342 64.342 63.544 0.798 19771 1012 1 5 . 1 1 433 433 SER H H 433 7.926 7.926 8.172 -0.246 19771 1013 1 5 . 1 1 434 434 LEU N N 434 124.239 124.239 124.297 -0.058 19771 1014 1 5 . 1 1 434 434 LEU HA H 434 4.301 4.301 4.284 0.017 19771 1015 1 5 . 1 1 434 434 LEU CA C 434 54.780 54.780 56.214 -1.434 19771 1016 1 5 . 1 1 434 434 LEU CB C 434 43.682 43.682 43.020 0.662 19771 1017 1 5 . 1 1 434 434 LEU H H 434 8.161 8.161 7.914 0.247 19771 1018 1 5 . 1 1 435 435 CYS N N 435 121.658 121.658 123.154 -1.496 19771 1019 1 5 . 1 1 435 435 CYS HA H 435 3.767 3.767 4.436 -0.669 19771 1020 1 5 . 1 1 435 435 CYS CA C 435 60.505 60.505 59.887 0.618 19771 1021 1 5 . 1 1 435 435 CYS CB C 435 31.833 31.833 26.812 5.021 19771 1022 1 5 . 1 1 435 435 CYS H H 435 8.341 8.341 8.115 0.226 19771 1023 1 5 . 1 1 436 436 HIS N N 436 129.654 129.654 122.960 6.694 19771 1024 1 5 . 1 1 436 436 HIS HA H 436 4.436 4.436 4.415 0.021 19771 1025 1 5 . 1 1 436 436 HIS CA C 436 58.775 58.775 58.190 0.585 19771 1026 1 5 . 1 1 436 436 HIS CB C 436 32.431 32.431 30.304 2.127 19771 1027 1 5 . 1 1 436 436 HIS H H 436 9.087 9.087 8.264 0.823 19771 1028 1 5 . 1 1 437 437 ILE N N 437 121.647 121.647 117.377 4.270 19771 1029 1 5 . 1 1 437 437 ILE HA H 437 4.122 4.122 4.193 -0.071 19771 1030 1 5 . 1 1 437 437 ILE CA C 437 61.632 61.632 61.615 0.017 19771 1031 1 5 . 1 1 437 437 ILE CB C 437 35.149 35.149 38.856 -3.707 19771 1032 1 5 . 1 1 437 437 ILE H H 437 9.294 9.294 7.920 1.374 19771 1033 1 5 . 1 1 438 438 CYS N N 438 118.756 118.756 116.023 2.733 19771 1034 1 5 . 1 1 438 438 CYS HA H 438 4.719 4.719 4.734 -0.015 19771 1035 1 5 . 1 1 438 438 CYS CB C 438 31.931 31.931 27.997 3.934 19771 1036 1 5 . 1 1 438 438 CYS H H 438 8.503 8.503 8.446 0.057 19771 1037 1 5 . 1 1 439 439 SER N N 439 116.341 116.341 115.663 0.678 19771 1038 1 5 . 1 1 439 439 SER HA H 439 4.348 4.348 4.203 0.145 19771 1039 1 5 . 1 1 439 439 SER CA C 439 60.131 60.131 60.256 -0.125 19771 1040 1 5 . 1 1 439 439 SER CB C 439 62.642 62.642 61.065 1.577 19771 1041 1 5 . 1 1 439 439 SER H H 439 7.561 7.561 8.904 -1.343 19771 1042 1 5 . 1 1 440 440 SER N N 440 113.455 113.455 115.559 -2.104 19771 1043 1 5 . 1 1 440 440 SER HA H 440 4.777 4.777 4.437 0.340 19771 1044 1 5 . 1 1 440 440 SER CA C 440 58.703 58.703 59.919 -1.216 19771 1045 1 5 . 1 1 440 440 SER CB C 440 65.681 65.681 64.120 1.561 19771 1046 1 5 . 1 1 440 440 SER H H 440 8.272 8.272 8.081 0.191 19771 1047 1 5 . 1 1 441 441 GLN N N 441 118.674 118.674 117.004 1.670 19771 1048 1 5 . 1 1 441 441 GLN HA H 441 4.865 4.865 4.775 0.090 19771 1049 1 5 . 1 1 441 441 GLN CA C 441 52.802 52.802 52.758 0.044 19771 1050 1 5 . 1 1 441 441 GLN CB C 441 30.560 30.560 29.455 1.105 19771 1051 1 5 . 1 1 441 441 GLN H H 441 7.355 7.355 7.536 -0.181 19771 1052 1 5 . 1 1 442 442 PRO HA H 442 4.349 4.349 4.387 -0.038 19771 1053 1 5 . 1 1 442 442 PRO CA C 442 63.693 63.693 62.855 0.838 19771 1054 1 5 . 1 1 442 442 PRO CB C 442 32.549 32.549 31.133 1.416 19771 1055 1 5 . 1 1 443 443 GLY N N 443 110.126 110.126 112.526 -2.400 19771 1056 1 5 . 1 1 443 443 GLY CA C 443 46.097 46.097 43.792 2.305 19771 1057 1 5 . 1 1 443 443 GLY H H 443 8.819 8.819 8.068 0.751 19771 1058 1 5 . 1 1 444 444 PRO HA H 444 4.387 4.387 4.263 0.124 19771 1059 1 5 . 1 1 444 444 PRO CA C 444 63.025 63.025 63.598 -0.573 19771 1060 1 5 . 1 1 444 444 PRO CB C 444 32.737 32.737 31.859 0.878 19771 1061 1 5 . 1 1 445 445 PHE N N 445 116.262 116.262 117.317 -1.055 19771 1062 1 5 . 1 1 445 445 PHE HA H 445 4.962 4.962 5.549 -0.587 19771 1063 1 5 . 1 1 445 445 PHE CA C 445 56.014 56.014 56.029 -0.015 19771 1064 1 5 . 1 1 445 445 PHE CB C 445 40.028 40.028 42.670 -2.642 19771 1065 1 5 . 1 1 445 445 PHE H H 445 8.066 8.066 7.883 0.183 19771 1066 1 5 . 1 1 446 446 PHE N N 446 126.081 126.081 120.699 5.382 19771 1067 1 5 . 1 1 446 446 PHE HA H 446 5.050 5.050 5.392 -0.342 19771 1068 1 5 . 1 1 446 446 PHE CA C 446 56.775 56.775 56.493 0.282 19771 1069 1 5 . 1 1 446 446 PHE CB C 446 41.731 41.731 43.297 -1.566 19771 1070 1 5 . 1 1 446 446 PHE H H 446 9.446 9.446 8.461 0.985 19771 1071 1 5 . 1 1 447 447 CYS N N 447 128.746 128.746 121.508 7.238 19771 1072 1 5 . 1 1 447 447 CYS HA H 447 4.874 4.874 5.006 -0.132 19771 1073 1 5 . 1 1 447 447 CYS CA C 447 58.263 58.263 56.724 1.539 19771 1074 1 5 . 1 1 447 447 CYS CB C 447 30.994 30.994 30.594 0.400 19771 1075 1 5 . 1 1 447 447 CYS H H 447 7.729 7.729 7.406 0.323 19771 1076 1 5 . 1 1 448 448 ARG N N 448 125.530 125.530 123.887 1.643 19771 1077 1 5 . 1 1 448 448 ARG HA H 448 4.080 4.080 4.747 -0.667 19771 1078 1 5 . 1 1 448 448 ARG CA C 448 55.854 55.854 56.406 -0.552 19771 1079 1 5 . 1 1 448 448 ARG CB C 448 31.200 31.200 30.918 0.282 19771 1080 1 5 . 1 1 448 448 ARG H H 448 8.783 8.783 8.886 -0.103 19771 1081 1 5 . 1 1 449 449 ASP N N 449 123.969 123.969 120.370 3.599 19771 1082 1 5 . 1 1 449 449 ASP HA H 449 4.155 4.155 4.634 -0.479 19771 1083 1 5 . 1 1 449 449 ASP CA C 449 56.118 56.118 53.807 2.311 19771 1084 1 5 . 1 1 449 449 ASP CB C 449 43.634 43.634 41.591 2.043 19771 1085 1 5 . 1 1 449 449 ASP H H 449 8.117 8.117 7.325 0.792 19771 1086 1 5 . 1 1 450 450 GLN N N 450 125.410 125.410 120.480 4.930 19771 1087 1 5 . 1 1 450 450 GLN HA H 450 3.832 3.832 4.127 -0.295 19771 1088 1 5 . 1 1 450 450 GLN CA C 450 59.127 59.127 58.176 0.951 19771 1089 1 5 . 1 1 450 450 GLN CB C 450 28.699 28.699 28.380 0.319 19771 1090 1 5 . 1 1 450 450 GLN H H 450 8.670 8.670 8.875 -0.205 19771 1091 1 5 . 1 1 451 451 VAL N N 451 113.164 113.164 111.556 1.608 19771 1092 1 5 . 1 1 451 451 VAL HA H 451 4.240 4.240 4.280 -0.040 19771 1093 1 5 . 1 1 451 451 VAL CA C 451 63.199 63.199 61.229 1.970 19771 1094 1 5 . 1 1 451 451 VAL CB C 451 31.439 31.439 32.285 -0.846 19771 1095 1 5 . 1 1 451 451 VAL H H 451 8.591 8.591 7.762 0.829 19771 1096 1 5 . 1 1 452 452 CYS N N 452 120.986 120.986 116.638 4.348 19771 1097 1 5 . 1 1 452 452 CYS HA H 452 4.502 4.502 4.894 -0.392 19771 1098 1 5 . 1 1 452 452 CYS CA C 452 60.474 60.474 56.106 4.368 19771 1099 1 5 . 1 1 452 452 CYS CB C 452 31.715 31.715 27.188 4.527 19771 1100 1 5 . 1 1 452 452 CYS H H 452 7.963 7.963 7.468 0.495 19771 1101 1 5 . 1 1 453 453 PHE N N 453 129.406 129.406 123.823 5.583 19771 1102 1 5 . 1 1 453 453 PHE HA H 453 4.121 4.121 4.729 -0.608 19771 1103 1 5 . 1 1 453 453 PHE CA C 453 59.700 59.700 57.411 2.289 19771 1104 1 5 . 1 1 453 453 PHE CB C 453 38.328 38.328 37.295 1.032 19771 1105 1 5 . 1 1 453 453 PHE H H 453 7.880 7.880 8.555 -0.675 19771 1106 1 5 . 1 1 454 454 LYS N N 454 113.628 113.628 118.814 -5.186 19771 1107 1 5 . 1 1 454 454 LYS HA H 454 4.423 4.423 4.485 -0.062 19771 1108 1 5 . 1 1 454 454 LYS CA C 454 54.050 54.050 53.450 0.600 19771 1109 1 5 . 1 1 454 454 LYS CB C 454 37.833 37.833 35.737 2.095 19771 1110 1 5 . 1 1 454 454 LYS H H 454 6.384 6.384 7.806 -1.422 19771 1111 1 5 . 1 1 455 455 TYR N N 455 117.756 117.756 117.348 0.408 19771 1112 1 5 . 1 1 455 455 TYR HA H 455 5.111 5.111 5.117 -0.006 19771 1113 1 5 . 1 1 455 455 TYR CA C 455 58.616 58.616 58.993 -0.377 19771 1114 1 5 . 1 1 455 455 TYR CB C 455 39.956 39.956 40.004 -0.048 19771 1115 1 5 . 1 1 455 455 TYR H H 455 7.100 7.100 8.726 -1.626 19771 1116 1 5 . 1 1 456 456 PHE N N 456 117.529 117.529 116.240 1.289 19771 1117 1 5 . 1 1 456 456 PHE HA H 456 6.342 6.342 5.139 1.203 19771 1118 1 5 . 1 1 456 456 PHE CA C 456 57.017 57.017 56.913 0.104 19771 1119 1 5 . 1 1 456 456 PHE CB C 456 45.138 45.138 44.204 0.934 19771 1120 1 5 . 1 1 456 456 PHE H H 456 9.527 9.527 9.127 0.400 19771 1121 1 5 . 1 1 457 457 CYS N N 457 119.575 119.575 117.970 1.605 19771 1122 1 5 . 1 1 457 457 CYS HA H 457 5.435 5.435 5.241 0.194 19771 1123 1 5 . 1 1 457 457 CYS CA C 457 58.044 58.044 55.779 2.264 19771 1124 1 5 . 1 1 457 457 CYS CB C 457 32.277 32.277 31.367 0.910 19771 1125 1 5 . 1 1 457 457 CYS H H 457 9.710 9.710 9.072 0.638 19771 1126 1 5 . 1 1 458 458 ARG N N 458 120.479 120.479 120.538 -0.059 19771 1127 1 5 . 1 1 458 458 ARG HA H 458 3.750 3.750 3.845 -0.095 19771 1128 1 5 . 1 1 458 458 ARG CA C 458 60.863 60.863 59.559 1.304 19771 1129 1 5 . 1 1 458 458 ARG CB C 458 30.407 30.407 29.735 0.672 19771 1130 1 5 . 1 1 458 458 ARG H H 458 9.300 9.300 8.956 0.344 19771 1131 1 5 . 1 1 459 459 SER N N 459 114.502 114.502 116.187 -1.685 19771 1132 1 5 . 1 1 459 459 SER HA H 459 4.424 4.424 3.953 0.471 19771 1133 1 5 . 1 1 459 459 SER CA C 459 62.116 62.116 60.921 1.195 19771 1134 1 5 . 1 1 459 459 SER CB C 459 62.828 62.828 63.295 -0.468 19771 1135 1 5 . 1 1 459 459 SER H H 459 8.482 8.482 7.705 0.777 19771 1136 1 5 . 1 1 460 460 CYS N N 460 126.957 126.957 117.488 9.469 19771 1137 1 5 . 1 1 460 460 CYS HA H 460 4.402 4.402 4.334 0.068 19771 1138 1 5 . 1 1 460 460 CYS CA C 460 65.041 65.041 59.407 5.633 19771 1139 1 5 . 1 1 460 460 CYS CB C 460 30.694 30.694 26.407 4.287 19771 1140 1 5 . 1 1 460 460 CYS H H 460 9.474 9.474 7.406 2.068 19771 1141 1 5 . 1 1 461 461 TRP N N 461 121.032 121.032 123.849 -2.817 19771 1142 1 5 . 1 1 461 461 TRP HA H 461 3.259 3.259 4.109 -0.850 19771 1143 1 5 . 1 1 461 461 TRP CA C 461 62.794 62.794 60.859 1.935 19771 1144 1 5 . 1 1 461 461 TRP CB C 461 27.672 27.672 29.006 -1.334 19771 1145 1 5 . 1 1 461 461 TRP H H 461 9.553 9.553 8.722 0.831 19771 1146 1 5 . 1 1 462 462 HIS N N 462 119.358 119.358 115.127 4.231 19771 1147 1 5 . 1 1 462 462 HIS HA H 462 4.280 4.280 4.622 -0.342 19771 1148 1 5 . 1 1 462 462 HIS CA C 462 59.828 59.828 58.770 1.058 19771 1149 1 5 . 1 1 462 462 HIS CB C 462 30.330 30.330 29.184 1.146 19771 1150 1 5 . 1 1 462 462 HIS H H 462 8.007 8.007 7.577 0.430 19771 1151 1 5 . 1 1 463 463 TRP N N 463 121.005 121.005 117.500 3.505 19771 1152 1 5 . 1 1 463 463 TRP HA H 463 4.179 4.179 4.721 -0.542 19771 1153 1 5 . 1 1 463 463 TRP CA C 463 60.915 60.915 57.402 3.513 19771 1154 1 5 . 1 1 463 463 TRP CB C 463 28.556 28.556 28.873 -0.317 19771 1155 1 5 . 1 1 463 463 TRP H H 463 8.146 8.146 7.559 0.587 19771 1156 1 5 . 1 1 464 464 ARG N N 464 117.937 117.937 116.427 1.510 19771 1157 1 5 . 1 1 464 464 ARG HA H 464 3.160 3.160 4.380 -1.220 19771 1158 1 5 . 1 1 464 464 ARG CA C 464 57.153 57.153 56.075 1.078 19771 1159 1 5 . 1 1 464 464 ARG CB C 464 29.998 29.998 31.099 -1.101 19771 1160 1 5 . 1 1 464 464 ARG H H 464 8.136 8.136 7.483 0.653 19771 1161 1 5 . 1 1 465 465 HIS N N 465 109.139 109.139 118.984 -9.845 19771 1162 1 5 . 1 1 465 465 HIS HA H 465 3.729 3.729 4.273 -0.544 19771 1163 1 5 . 1 1 465 465 HIS CA C 465 58.797 58.797 56.659 2.138 19771 1164 1 5 . 1 1 465 465 HIS CB C 465 25.377 25.377 29.020 -3.643 19771 1165 1 5 . 1 1 465 465 HIS H H 465 7.359 7.359 8.222 -0.863 19771 1166 1 5 . 1 1 466 466 SER N N 466 112.123 112.123 113.297 -1.174 19771 1167 1 5 . 1 1 466 466 SER HA H 466 4.273 4.273 4.423 -0.150 19771 1168 1 5 . 1 1 466 466 SER CA C 466 58.999 58.999 58.147 0.852 19771 1169 1 5 . 1 1 466 466 SER CB C 466 63.431 63.431 63.495 -0.064 19771 1170 1 5 . 1 1 466 466 SER H H 466 6.897 6.897 8.053 -1.156 19771 1171 1 5 . 1 1 467 467 MET N N 467 121.282 121.282 119.639 1.643 19771 1172 1 5 . 1 1 467 467 MET HA H 467 4.133 4.133 4.749 -0.616 19771 1173 1 5 . 1 1 467 467 MET CA C 467 55.435 55.435 55.616 -0.181 19771 1174 1 5 . 1 1 467 467 MET CB C 467 33.206 33.206 35.179 -1.973 19771 1175 1 5 . 1 1 467 467 MET H H 467 6.766 6.766 7.186 -0.420 19771 1176 1 5 . 1 1 468 468 GLU N N 468 122.864 122.864 122.370 0.494 19771 1177 1 5 . 1 1 468 468 GLU HA H 468 3.754 3.754 4.125 -0.371 19771 1178 1 5 . 1 1 468 468 GLU CA C 468 58.708 58.708 58.392 0.317 19771 1179 1 5 . 1 1 468 468 GLU CB C 468 29.457 29.457 28.826 0.631 19771 1180 1 5 . 1 1 468 468 GLU H H 468 8.455 8.455 8.835 -0.380 19771 1181 1 5 . 1 1 469 469 GLY N N 469 112.643 112.643 104.740 7.903 19771 1182 1 5 . 1 1 469 469 GLY CA C 469 45.398 45.398 45.511 -0.113 19771 1183 1 5 . 1 1 469 469 GLY H H 469 8.893 8.893 8.085 0.808 19771 1184 1 5 . 1 1 470 470 LEU N N 470 118.167 118.167 117.227 0.940 19771 1185 1 5 . 1 1 470 470 LEU HA H 470 3.862 3.862 3.700 0.162 19771 1186 1 5 . 1 1 470 470 LEU CA C 470 54.284 54.284 54.161 0.123 19771 1187 1 5 . 1 1 470 470 LEU CB C 470 42.923 42.923 42.477 0.446 19771 1188 1 5 . 1 1 470 470 LEU H H 470 7.642 7.642 7.800 -0.158 19771 1189 1 5 . 1 1 471 471 ARG N N 471 115.958 115.958 119.194 -3.236 19771 1190 1 5 . 1 1 471 471 ARG HA H 471 4.328 4.328 4.161 0.167 19771 1191 1 5 . 1 1 471 471 ARG CA C 471 58.357 58.357 57.803 0.554 19771 1192 1 5 . 1 1 471 471 ARG CB C 471 30.183 30.183 30.035 0.148 19771 1193 1 5 . 1 1 471 471 ARG H H 471 7.256 7.256 7.516 -0.260 19771 1194 1 5 . 1 1 472 472 HIS N N 472 113.710 113.710 112.943 0.767 19771 1195 1 5 . 1 1 472 472 HIS HA H 472 4.635 4.635 4.763 -0.128 19771 1196 1 5 . 1 1 472 472 HIS CA C 472 56.199 56.199 55.227 0.972 19771 1197 1 5 . 1 1 472 472 HIS CB C 472 30.157 30.157 29.024 1.133 19771 1198 1 5 . 1 1 472 472 HIS H H 472 8.410 8.410 7.901 0.509 19771 1199 1 5 . 1 1 473 473 HIS N N 473 122.456 122.456 120.373 2.083 19771 1200 1 5 . 1 1 473 473 HIS HA H 473 4.418 4.418 4.607 -0.189 19771 1201 1 5 . 1 1 473 473 HIS CA C 473 55.485 55.485 56.159 -0.674 19771 1202 1 5 . 1 1 473 473 HIS CB C 473 31.291 31.291 30.998 0.293 19771 1203 1 5 . 1 1 473 473 HIS H H 473 6.899 6.899 7.212 -0.313 19771 1204 1 5 . 1 1 474 474 SER N N 474 117.590 117.590 116.643 0.947 19771 1205 1 5 . 1 1 474 474 SER HA H 474 5.065 5.065 4.933 0.132 19771 1206 1 5 . 1 1 474 474 SER CA C 474 55.164 55.164 55.770 -0.606 19771 1207 1 5 . 1 1 474 474 SER CB C 474 64.749 64.749 65.100 -0.351 19771 1208 1 5 . 1 1 474 474 SER H H 474 8.600 8.600 8.677 -0.077 19771 1209 1 5 . 1 1 475 475 PRO HA H 475 4.258 4.258 4.524 -0.266 19771 1210 1 5 . 1 1 475 475 PRO CA C 475 62.975 62.975 62.464 0.511 19771 1211 1 5 . 1 1 475 475 PRO CB C 475 31.696 31.696 31.951 -0.256 19771 1212 1 5 . 1 1 476 476 LEU N N 476 123.672 123.672 121.175 2.497 19771 1213 1 5 . 1 1 476 476 LEU CB C 476 44.146 44.146 46.319 -2.172 19771 1214 1 5 . 1 1 476 476 LEU H H 476 8.843 8.843 8.260 0.583 19771 1215 1 5 . 1 1 477 477 MET N N 477 122.428 122.428 119.374 3.054 19771 1216 1 5 . 1 1 477 477 MET HA H 477 4.918 4.918 5.014 -0.096 19771 1217 1 5 . 1 1 477 477 MET CA C 477 54.604 54.604 54.888 -0.284 19771 1218 1 5 . 1 1 477 477 MET CB C 477 34.225 34.225 35.903 -1.678 19771 1219 1 5 . 1 1 477 477 MET H H 477 8.564 8.564 8.356 0.208 19771 1220 1 5 . 1 1 478 478 ARG N N 478 123.419 123.419 119.716 3.703 19771 1221 1 5 . 1 1 478 478 ARG CB C 478 32.024 32.024 30.025 1.999 19771 1222 1 5 . 1 1 478 478 ARG H H 478 8.825 8.825 8.651 0.174 19771 1223 1 5 . 1 1 481 481 LYS N N 481 122.000 122.000 121.059 0.941 19771 1224 1 5 . 1 1 481 481 LYS H H 481 8.284 8.284 8.379 -0.095 19771 1225 1 5 . 1 1 482 482 ASN N N 482 119.466 119.466 119.441 0.025 19771 1226 1 5 . 1 1 482 482 ASN H H 482 8.379 8.379 8.361 0.018 19771 1227 1 5 . 1 1 483 483 ARG N N 483 121.400 121.400 121.124 0.276 19771 1228 1 5 . 1 1 483 483 ARG H H 483 8.302 8.302 8.735 -0.433 19771 1229 1 5 . 1 1 485 485 SER N N 485 115.800 115.800 115.087 0.713 19771 1230 1 5 . 1 1 485 485 SER H H 485 8.112 8.112 8.416 -0.304 19771 1231 1 6 . 1 1 427 427 ASP N N 427 125.779 125.779 126.330 -0.551 19771 1232 1 6 . 1 1 427 427 ASP HA H 427 4.829 4.829 5.002 -0.173 19771 1233 1 6 . 1 1 427 427 ASP CA C 427 52.150 52.150 52.347 -0.197 19771 1234 1 6 . 1 1 427 427 ASP CB C 427 41.537 41.537 42.891 -1.354 19771 1235 1 6 . 1 1 427 427 ASP H H 427 8.293 8.293 8.309 -0.016 19771 1236 1 6 . 1 1 428 428 PRO HA H 428 4.229 4.229 4.150 0.079 19771 1237 1 6 . 1 1 428 428 PRO CA C 428 63.337 63.337 63.358 -0.021 19771 1238 1 6 . 1 1 428 428 PRO CB C 428 32.019 32.019 32.007 0.012 19771 1239 1 6 . 1 1 429 429 TYR N N 429 119.152 119.152 117.587 1.565 19771 1240 1 6 . 1 1 429 429 TYR HA H 429 4.421 4.421 4.734 -0.313 19771 1241 1 6 . 1 1 429 429 TYR CA C 429 57.961 57.961 57.062 0.899 19771 1242 1 6 . 1 1 429 429 TYR CB C 429 37.968 37.968 39.411 -1.443 19771 1243 1 6 . 1 1 429 429 TYR H H 429 8.136 8.136 8.460 -0.324 19771 1244 1 6 . 1 1 430 430 LEU N N 430 122.733 122.733 114.920 7.813 19771 1245 1 6 . 1 1 430 430 LEU HA H 430 4.205 4.205 4.774 -0.569 19771 1246 1 6 . 1 1 430 430 LEU CA C 430 54.950 54.950 53.371 1.579 19771 1247 1 6 . 1 1 430 430 LEU CB C 430 42.474 42.474 42.844 -0.370 19771 1248 1 6 . 1 1 430 430 LEU H H 430 7.596 7.596 7.471 0.125 19771 1249 1 6 . 1 1 431 431 GLU N N 431 120.614 120.614 116.483 4.131 19771 1250 1 6 . 1 1 431 431 GLU H H 431 8.157 8.157 8.186 -0.029 19771 1251 1 6 . 1 1 432 432 ASP HA H 432 4.387 4.387 4.723 -0.336 19771 1252 1 6 . 1 1 432 432 ASP CA C 432 54.365 54.365 52.761 1.604 19771 1253 1 6 . 1 1 432 432 ASP CB C 432 41.027 41.027 42.174 -1.147 19771 1254 1 6 . 1 1 433 433 SER N N 433 116.511 116.511 113.218 3.293 19771 1255 1 6 . 1 1 433 433 SER HA H 433 4.222 4.222 3.605 0.617 19771 1256 1 6 . 1 1 433 433 SER CA C 433 57.811 57.811 58.212 -0.401 19771 1257 1 6 . 1 1 433 433 SER CB C 433 64.342 64.342 61.682 2.660 19771 1258 1 6 . 1 1 433 433 SER H H 433 7.926 7.926 8.375 -0.449 19771 1259 1 6 . 1 1 434 434 LEU N N 434 124.239 124.239 119.816 4.423 19771 1260 1 6 . 1 1 434 434 LEU HA H 434 4.301 4.301 4.142 0.159 19771 1261 1 6 . 1 1 434 434 LEU CA C 434 54.780 54.780 55.677 -0.897 19771 1262 1 6 . 1 1 434 434 LEU CB C 434 43.682 43.682 43.127 0.555 19771 1263 1 6 . 1 1 434 434 LEU H H 434 8.161 8.161 7.347 0.814 19771 1264 1 6 . 1 1 435 435 CYS N N 435 121.658 121.658 123.556 -1.898 19771 1265 1 6 . 1 1 435 435 CYS HA H 435 3.767 3.767 4.400 -0.633 19771 1266 1 6 . 1 1 435 435 CYS CA C 435 60.505 60.505 60.124 0.381 19771 1267 1 6 . 1 1 435 435 CYS CB C 435 31.833 31.833 28.126 3.707 19771 1268 1 6 . 1 1 435 435 CYS H H 435 8.341 8.341 8.191 0.150 19771 1269 1 6 . 1 1 436 436 HIS N N 436 129.654 129.654 126.588 3.066 19771 1270 1 6 . 1 1 436 436 HIS HA H 436 4.436 4.436 4.600 -0.164 19771 1271 1 6 . 1 1 436 436 HIS CA C 436 58.775 58.775 57.737 1.038 19771 1272 1 6 . 1 1 436 436 HIS CB C 436 32.431 32.431 30.387 2.044 19771 1273 1 6 . 1 1 436 436 HIS H H 436 9.087 9.087 8.582 0.505 19771 1274 1 6 . 1 1 437 437 ILE N N 437 121.647 121.647 119.386 2.261 19771 1275 1 6 . 1 1 437 437 ILE HA H 437 4.122 4.122 4.181 -0.059 19771 1276 1 6 . 1 1 437 437 ILE CA C 437 61.632 61.632 61.550 0.082 19771 1277 1 6 . 1 1 437 437 ILE CB C 437 35.149 35.149 39.399 -4.250 19771 1278 1 6 . 1 1 437 437 ILE H H 437 9.294 9.294 8.125 1.169 19771 1279 1 6 . 1 1 438 438 CYS N N 438 118.756 118.756 116.005 2.751 19771 1280 1 6 . 1 1 438 438 CYS HA H 438 4.719 4.719 4.650 0.069 19771 1281 1 6 . 1 1 438 438 CYS CB C 438 31.931 31.931 30.034 1.897 19771 1282 1 6 . 1 1 438 438 CYS H H 438 8.503 8.503 7.791 0.712 19771 1283 1 6 . 1 1 439 439 SER N N 439 116.341 116.341 114.757 1.584 19771 1284 1 6 . 1 1 439 439 SER HA H 439 4.348 4.348 4.181 0.167 19771 1285 1 6 . 1 1 439 439 SER CA C 439 60.131 60.131 59.608 0.523 19771 1286 1 6 . 1 1 439 439 SER CB C 439 62.642 62.642 61.359 1.283 19771 1287 1 6 . 1 1 439 439 SER H H 439 7.561 7.561 8.142 -0.581 19771 1288 1 6 . 1 1 440 440 SER N N 440 113.455 113.455 114.734 -1.279 19771 1289 1 6 . 1 1 440 440 SER HA H 440 4.777 4.777 4.409 0.368 19771 1290 1 6 . 1 1 440 440 SER CA C 440 58.703 58.703 59.533 -0.830 19771 1291 1 6 . 1 1 440 440 SER CB C 440 65.681 65.681 64.212 1.469 19771 1292 1 6 . 1 1 440 440 SER H H 440 8.272 8.272 7.721 0.551 19771 1293 1 6 . 1 1 441 441 GLN N N 441 118.674 118.674 117.778 0.896 19771 1294 1 6 . 1 1 441 441 GLN HA H 441 4.865 4.865 4.770 0.095 19771 1295 1 6 . 1 1 441 441 GLN CA C 441 52.802 52.802 52.910 -0.108 19771 1296 1 6 . 1 1 441 441 GLN CB C 441 30.560 30.560 30.672 -0.112 19771 1297 1 6 . 1 1 441 441 GLN H H 441 7.355 7.355 7.673 -0.318 19771 1298 1 6 . 1 1 442 442 PRO HA H 442 4.349 4.349 4.460 -0.111 19771 1299 1 6 . 1 1 442 442 PRO CA C 442 63.693 63.693 62.954 0.739 19771 1300 1 6 . 1 1 442 442 PRO CB C 442 32.549 32.549 31.625 0.924 19771 1301 1 6 . 1 1 443 443 GLY N N 443 110.126 110.126 108.216 1.910 19771 1302 1 6 . 1 1 443 443 GLY CA C 443 46.097 46.097 44.941 1.157 19771 1303 1 6 . 1 1 443 443 GLY H H 443 8.819 8.819 8.166 0.653 19771 1304 1 6 . 1 1 444 444 PRO HA H 444 4.387 4.387 4.161 0.226 19771 1305 1 6 . 1 1 444 444 PRO CA C 444 63.025 63.025 63.973 -0.948 19771 1306 1 6 . 1 1 444 444 PRO CB C 444 32.737 32.737 31.619 1.118 19771 1307 1 6 . 1 1 445 445 PHE N N 445 116.262 116.262 116.932 -0.670 19771 1308 1 6 . 1 1 445 445 PHE HA H 445 4.962 4.962 4.842 0.120 19771 1309 1 6 . 1 1 445 445 PHE CA C 445 56.014 56.014 56.797 -0.783 19771 1310 1 6 . 1 1 445 445 PHE CB C 445 40.028 40.028 43.495 -3.467 19771 1311 1 6 . 1 1 445 445 PHE H H 445 8.066 8.066 7.968 0.098 19771 1312 1 6 . 1 1 446 446 PHE N N 446 126.081 126.081 120.409 5.672 19771 1313 1 6 . 1 1 446 446 PHE HA H 446 5.050 5.050 5.382 -0.332 19771 1314 1 6 . 1 1 446 446 PHE CA C 446 56.775 56.775 56.650 0.125 19771 1315 1 6 . 1 1 446 446 PHE CB C 446 41.731 41.731 43.062 -1.331 19771 1316 1 6 . 1 1 446 446 PHE H H 446 9.446 9.446 8.466 0.980 19771 1317 1 6 . 1 1 447 447 CYS N N 447 128.746 128.746 124.951 3.795 19771 1318 1 6 . 1 1 447 447 CYS HA H 447 4.874 4.874 5.028 -0.154 19771 1319 1 6 . 1 1 447 447 CYS CA C 447 58.263 58.263 56.910 1.353 19771 1320 1 6 . 1 1 447 447 CYS CB C 447 30.994 30.994 30.400 0.594 19771 1321 1 6 . 1 1 447 447 CYS H H 447 7.729 7.729 7.777 -0.048 19771 1322 1 6 . 1 1 448 448 ARG N N 448 125.530 125.530 128.239 -2.709 19771 1323 1 6 . 1 1 448 448 ARG HA H 448 4.080 4.080 4.637 -0.557 19771 1324 1 6 . 1 1 448 448 ARG CA C 448 55.854 55.854 55.842 0.012 19771 1325 1 6 . 1 1 448 448 ARG CB C 448 31.200 31.200 30.239 0.961 19771 1326 1 6 . 1 1 448 448 ARG H H 448 8.783 8.783 8.893 -0.110 19771 1327 1 6 . 1 1 449 449 ASP N N 449 123.969 123.969 122.033 1.936 19771 1328 1 6 . 1 1 449 449 ASP HA H 449 4.155 4.155 4.779 -0.624 19771 1329 1 6 . 1 1 449 449 ASP CA C 449 56.118 56.118 52.859 3.259 19771 1330 1 6 . 1 1 449 449 ASP CB C 449 43.634 43.634 44.309 -0.675 19771 1331 1 6 . 1 1 449 449 ASP H H 449 8.117 8.117 8.465 -0.348 19771 1332 1 6 . 1 1 450 450 GLN N N 450 125.410 125.410 119.524 5.886 19771 1333 1 6 . 1 1 450 450 GLN HA H 450 3.832 3.832 4.341 -0.509 19771 1334 1 6 . 1 1 450 450 GLN CA C 450 59.127 59.127 57.636 1.491 19771 1335 1 6 . 1 1 450 450 GLN CB C 450 28.699 28.699 28.997 -0.298 19771 1336 1 6 . 1 1 450 450 GLN H H 450 8.670 8.670 8.762 -0.092 19771 1337 1 6 . 1 1 451 451 VAL N N 451 113.164 113.164 114.431 -1.267 19771 1338 1 6 . 1 1 451 451 VAL HA H 451 4.240 4.240 4.390 -0.150 19771 1339 1 6 . 1 1 451 451 VAL CA C 451 63.199 63.199 62.409 0.790 19771 1340 1 6 . 1 1 451 451 VAL CB C 451 31.439 31.439 33.992 -2.553 19771 1341 1 6 . 1 1 451 451 VAL H H 451 8.591 8.591 7.830 0.761 19771 1342 1 6 . 1 1 452 452 CYS N N 452 120.986 120.986 116.334 4.652 19771 1343 1 6 . 1 1 452 452 CYS HA H 452 4.502 4.502 4.947 -0.445 19771 1344 1 6 . 1 1 452 452 CYS CA C 452 60.474 60.474 56.684 3.790 19771 1345 1 6 . 1 1 452 452 CYS CB C 452 31.715 31.715 29.602 2.113 19771 1346 1 6 . 1 1 452 452 CYS H H 452 7.963 7.963 7.474 0.489 19771 1347 1 6 . 1 1 453 453 PHE N N 453 129.406 129.406 116.577 12.829 19771 1348 1 6 . 1 1 453 453 PHE HA H 453 4.121 4.121 5.257 -1.136 19771 1349 1 6 . 1 1 453 453 PHE CA C 453 59.700 59.700 56.414 3.286 19771 1350 1 6 . 1 1 453 453 PHE CB C 453 38.328 38.328 39.923 -1.595 19771 1351 1 6 . 1 1 453 453 PHE H H 453 7.880 7.880 8.076 -0.196 19771 1352 1 6 . 1 1 454 454 LYS N N 454 113.628 113.628 117.761 -4.133 19771 1353 1 6 . 1 1 454 454 LYS HA H 454 4.423 4.423 4.327 0.096 19771 1354 1 6 . 1 1 454 454 LYS CA C 454 54.050 54.050 54.090 -0.040 19771 1355 1 6 . 1 1 454 454 LYS CB C 454 37.833 37.833 35.565 2.268 19771 1356 1 6 . 1 1 454 454 LYS H H 454 6.384 6.384 7.047 -0.663 19771 1357 1 6 . 1 1 455 455 TYR N N 455 117.756 117.756 117.088 0.668 19771 1358 1 6 . 1 1 455 455 TYR HA H 455 5.111 5.111 5.030 0.081 19771 1359 1 6 . 1 1 455 455 TYR CA C 455 58.616 58.616 58.899 -0.283 19771 1360 1 6 . 1 1 455 455 TYR CB C 455 39.956 39.956 39.776 0.180 19771 1361 1 6 . 1 1 455 455 TYR H H 455 7.100 7.100 8.498 -1.398 19771 1362 1 6 . 1 1 456 456 PHE N N 456 117.529 117.529 116.496 1.033 19771 1363 1 6 . 1 1 456 456 PHE HA H 456 6.342 6.342 5.019 1.323 19771 1364 1 6 . 1 1 456 456 PHE CA C 456 57.017 57.017 56.865 0.152 19771 1365 1 6 . 1 1 456 456 PHE CB C 456 45.138 45.138 44.017 1.121 19771 1366 1 6 . 1 1 456 456 PHE H H 456 9.527 9.527 9.100 0.427 19771 1367 1 6 . 1 1 457 457 CYS N N 457 119.575 119.575 117.756 1.819 19771 1368 1 6 . 1 1 457 457 CYS HA H 457 5.435 5.435 5.209 0.226 19771 1369 1 6 . 1 1 457 457 CYS CA C 457 58.044 58.044 55.435 2.609 19771 1370 1 6 . 1 1 457 457 CYS CB C 457 32.277 32.277 31.164 1.113 19771 1371 1 6 . 1 1 457 457 CYS H H 457 9.710 9.710 8.664 1.046 19771 1372 1 6 . 1 1 458 458 ARG N N 458 120.479 120.479 121.544 -1.065 19771 1373 1 6 . 1 1 458 458 ARG HA H 458 3.750 3.750 3.765 -0.015 19771 1374 1 6 . 1 1 458 458 ARG CA C 458 60.863 60.863 58.984 1.879 19771 1375 1 6 . 1 1 458 458 ARG CB C 458 30.407 30.407 28.992 1.415 19771 1376 1 6 . 1 1 458 458 ARG H H 458 9.300 9.300 8.960 0.340 19771 1377 1 6 . 1 1 459 459 SER N N 459 114.502 114.502 114.226 0.276 19771 1378 1 6 . 1 1 459 459 SER HA H 459 4.424 4.424 3.990 0.434 19771 1379 1 6 . 1 1 459 459 SER CA C 459 62.116 62.116 60.724 1.392 19771 1380 1 6 . 1 1 459 459 SER CB C 459 62.828 62.828 62.573 0.255 19771 1381 1 6 . 1 1 459 459 SER H H 459 8.482 8.482 8.247 0.235 19771 1382 1 6 . 1 1 460 460 CYS N N 460 126.957 126.957 119.781 7.176 19771 1383 1 6 . 1 1 460 460 CYS HA H 460 4.402 4.402 4.324 0.078 19771 1384 1 6 . 1 1 460 460 CYS CA C 460 65.041 65.041 60.469 4.572 19771 1385 1 6 . 1 1 460 460 CYS CB C 460 30.694 30.694 26.678 4.016 19771 1386 1 6 . 1 1 460 460 CYS H H 460 9.474 9.474 7.547 1.927 19771 1387 1 6 . 1 1 461 461 TRP N N 461 121.032 121.032 122.014 -0.982 19771 1388 1 6 . 1 1 461 461 TRP HA H 461 3.259 3.259 4.109 -0.850 19771 1389 1 6 . 1 1 461 461 TRP CA C 461 62.794 62.794 60.824 1.970 19771 1390 1 6 . 1 1 461 461 TRP CB C 461 27.672 27.672 28.986 -1.314 19771 1391 1 6 . 1 1 461 461 TRP H H 461 9.553 9.553 8.723 0.830 19771 1392 1 6 . 1 1 462 462 HIS N N 462 119.358 119.358 115.739 3.619 19771 1393 1 6 . 1 1 462 462 HIS HA H 462 4.280 4.280 4.501 -0.221 19771 1394 1 6 . 1 1 462 462 HIS CA C 462 59.828 59.828 59.010 0.818 19771 1395 1 6 . 1 1 462 462 HIS CB C 462 30.330 30.330 29.335 0.994 19771 1396 1 6 . 1 1 462 462 HIS H H 462 8.007 8.007 7.429 0.578 19771 1397 1 6 . 1 1 463 463 TRP N N 463 121.005 121.005 119.240 1.765 19771 1398 1 6 . 1 1 463 463 TRP HA H 463 4.179 4.179 4.603 -0.424 19771 1399 1 6 . 1 1 463 463 TRP CA C 463 60.915 60.915 59.029 1.886 19771 1400 1 6 . 1 1 463 463 TRP CB C 463 28.556 28.556 28.520 0.036 19771 1401 1 6 . 1 1 463 463 TRP H H 463 8.146 8.146 7.605 0.541 19771 1402 1 6 . 1 1 464 464 ARG N N 464 117.937 117.937 114.868 3.069 19771 1403 1 6 . 1 1 464 464 ARG HA H 464 3.160 3.160 4.217 -1.057 19771 1404 1 6 . 1 1 464 464 ARG CA C 464 57.153 57.153 55.368 1.785 19771 1405 1 6 . 1 1 464 464 ARG CB C 464 29.998 29.998 30.257 -0.259 19771 1406 1 6 . 1 1 464 464 ARG H H 464 8.136 8.136 7.252 0.884 19771 1407 1 6 . 1 1 465 465 HIS N N 465 109.139 109.139 115.345 -6.206 19771 1408 1 6 . 1 1 465 465 HIS HA H 465 3.729 3.729 4.578 -0.849 19771 1409 1 6 . 1 1 465 465 HIS CA C 465 58.797 58.797 55.590 3.207 19771 1410 1 6 . 1 1 465 465 HIS CB C 465 25.377 25.377 30.804 -5.427 19771 1411 1 6 . 1 1 465 465 HIS H H 465 7.359 7.359 7.679 -0.320 19771 1412 1 6 . 1 1 466 466 SER N N 466 112.123 112.123 116.347 -4.224 19771 1413 1 6 . 1 1 466 466 SER HA H 466 4.273 4.273 4.265 0.008 19771 1414 1 6 . 1 1 466 466 SER CA C 466 58.999 58.999 60.816 -1.817 19771 1415 1 6 . 1 1 466 466 SER CB C 466 63.431 63.431 63.497 -0.066 19771 1416 1 6 . 1 1 466 466 SER H H 466 6.897 6.897 7.884 -0.987 19771 1417 1 6 . 1 1 467 467 MET N N 467 121.282 121.282 118.421 2.861 19771 1418 1 6 . 1 1 467 467 MET HA H 467 4.133 4.133 4.645 -0.512 19771 1419 1 6 . 1 1 467 467 MET CA C 467 55.435 55.435 55.679 -0.244 19771 1420 1 6 . 1 1 467 467 MET CB C 467 33.206 33.206 34.034 -0.828 19771 1421 1 6 . 1 1 467 467 MET H H 467 6.766 6.766 7.269 -0.503 19771 1422 1 6 . 1 1 468 468 GLU N N 468 122.864 122.864 122.161 0.703 19771 1423 1 6 . 1 1 468 468 GLU HA H 468 3.754 3.754 4.188 -0.434 19771 1424 1 6 . 1 1 468 468 GLU CA C 468 58.708 58.708 58.843 -0.135 19771 1425 1 6 . 1 1 468 468 GLU CB C 468 29.457 29.457 28.813 0.644 19771 1426 1 6 . 1 1 468 468 GLU H H 468 8.455 8.455 8.896 -0.441 19771 1427 1 6 . 1 1 469 469 GLY N N 469 112.643 112.643 105.799 6.844 19771 1428 1 6 . 1 1 469 469 GLY CA C 469 45.398 45.398 45.710 -0.312 19771 1429 1 6 . 1 1 469 469 GLY H H 469 8.893 8.893 8.152 0.741 19771 1430 1 6 . 1 1 470 470 LEU N N 470 118.167 118.167 118.402 -0.235 19771 1431 1 6 . 1 1 470 470 LEU HA H 470 3.862 3.862 4.516 -0.654 19771 1432 1 6 . 1 1 470 470 LEU CA C 470 54.284 54.284 53.247 1.037 19771 1433 1 6 . 1 1 470 470 LEU CB C 470 42.923 42.923 41.641 1.282 19771 1434 1 6 . 1 1 470 470 LEU H H 470 7.642 7.642 7.284 0.358 19771 1435 1 6 . 1 1 471 471 ARG N N 471 115.958 115.958 119.311 -3.353 19771 1436 1 6 . 1 1 471 471 ARG HA H 471 4.328 4.328 4.162 0.166 19771 1437 1 6 . 1 1 471 471 ARG CA C 471 58.357 58.357 57.112 1.245 19771 1438 1 6 . 1 1 471 471 ARG CB C 471 30.183 30.183 29.368 0.815 19771 1439 1 6 . 1 1 471 471 ARG H H 471 7.256 7.256 7.859 -0.603 19771 1440 1 6 . 1 1 472 472 HIS N N 472 113.710 113.710 114.513 -0.803 19771 1441 1 6 . 1 1 472 472 HIS HA H 472 4.635 4.635 4.662 -0.027 19771 1442 1 6 . 1 1 472 472 HIS CA C 472 56.199 56.199 55.568 0.631 19771 1443 1 6 . 1 1 472 472 HIS CB C 472 30.157 30.157 29.509 0.648 19771 1444 1 6 . 1 1 472 472 HIS H H 472 8.410 8.410 8.056 0.354 19771 1445 1 6 . 1 1 473 473 HIS N N 473 122.456 122.456 121.353 1.103 19771 1446 1 6 . 1 1 473 473 HIS HA H 473 4.418 4.418 4.323 0.095 19771 1447 1 6 . 1 1 473 473 HIS CA C 473 55.485 55.485 56.405 -0.920 19771 1448 1 6 . 1 1 473 473 HIS CB C 473 31.291 31.291 30.315 0.976 19771 1449 1 6 . 1 1 473 473 HIS H H 473 6.899 6.899 7.225 -0.326 19771 1450 1 6 . 1 1 474 474 SER N N 474 117.590 117.590 116.485 1.105 19771 1451 1 6 . 1 1 474 474 SER HA H 474 5.065 5.065 4.913 0.152 19771 1452 1 6 . 1 1 474 474 SER CA C 474 55.164 55.164 56.189 -1.025 19771 1453 1 6 . 1 1 474 474 SER CB C 474 64.749 64.749 65.737 -0.988 19771 1454 1 6 . 1 1 474 474 SER H H 474 8.600 8.600 8.525 0.075 19771 1455 1 6 . 1 1 475 475 PRO HA H 475 4.258 4.258 4.832 -0.574 19771 1456 1 6 . 1 1 475 475 PRO CA C 475 62.975 62.975 62.592 0.383 19771 1457 1 6 . 1 1 475 475 PRO CB C 475 31.696 31.696 32.275 -0.579 19771 1458 1 6 . 1 1 476 476 LEU N N 476 123.672 123.672 122.199 1.473 19771 1459 1 6 . 1 1 476 476 LEU CB C 476 44.146 44.146 45.985 -1.839 19771 1460 1 6 . 1 1 476 476 LEU H H 476 8.843 8.843 8.277 0.566 19771 1461 1 6 . 1 1 477 477 MET N N 477 122.428 122.428 120.302 2.126 19771 1462 1 6 . 1 1 477 477 MET HA H 477 4.918 4.918 4.858 0.060 19771 1463 1 6 . 1 1 477 477 MET CA C 477 54.604 54.604 54.678 -0.075 19771 1464 1 6 . 1 1 477 477 MET CB C 477 34.225 34.225 34.985 -0.760 19771 1465 1 6 . 1 1 477 477 MET H H 477 8.564 8.564 8.332 0.232 19771 1466 1 6 . 1 1 478 478 ARG N N 478 123.419 123.419 121.293 2.126 19771 1467 1 6 . 1 1 478 478 ARG CB C 478 32.024 32.024 32.008 0.016 19771 1468 1 6 . 1 1 478 478 ARG H H 478 8.825 8.825 8.513 0.312 19771 1469 1 6 . 1 1 481 481 LYS N N 481 122.000 122.000 120.841 1.159 19771 1470 1 6 . 1 1 481 481 LYS H H 481 8.284 8.284 8.637 -0.353 19771 1471 1 6 . 1 1 482 482 ASN N N 482 119.466 119.466 113.654 5.812 19771 1472 1 6 . 1 1 482 482 ASN H H 482 8.379 8.379 8.147 0.232 19771 1473 1 6 . 1 1 483 483 ARG N N 483 121.400 121.400 119.043 2.357 19771 1474 1 6 . 1 1 483 483 ARG H H 483 8.302 8.302 7.593 0.709 19771 1475 1 6 . 1 1 485 485 SER N N 485 115.800 115.800 114.643 1.157 19771 1476 1 6 . 1 1 485 485 SER H H 485 8.112 8.112 7.651 0.461 19771 1477 1 7 . 1 1 427 427 ASP N N 427 125.779 125.779 126.836 -1.057 19771 1478 1 7 . 1 1 427 427 ASP HA H 427 4.829 4.829 4.984 -0.155 19771 1479 1 7 . 1 1 427 427 ASP CA C 427 52.150 52.150 53.239 -1.089 19771 1480 1 7 . 1 1 427 427 ASP CB C 427 41.537 41.537 43.555 -2.018 19771 1481 1 7 . 1 1 427 427 ASP H H 427 8.293 8.293 8.844 -0.551 19771 1482 1 7 . 1 1 428 428 PRO HA H 428 4.229 4.229 4.385 -0.156 19771 1483 1 7 . 1 1 428 428 PRO CA C 428 63.337 63.337 63.489 -0.152 19771 1484 1 7 . 1 1 428 428 PRO CB C 428 32.019 32.019 32.314 -0.295 19771 1485 1 7 . 1 1 429 429 TYR N N 429 119.152 119.152 116.272 2.880 19771 1486 1 7 . 1 1 429 429 TYR HA H 429 4.421 4.421 4.105 0.316 19771 1487 1 7 . 1 1 429 429 TYR CA C 429 57.961 57.961 58.996 -1.035 19771 1488 1 7 . 1 1 429 429 TYR CB C 429 37.968 37.968 37.356 0.612 19771 1489 1 7 . 1 1 429 429 TYR H H 429 8.136 8.136 7.853 0.283 19771 1490 1 7 . 1 1 430 430 LEU N N 430 122.733 122.733 119.485 3.248 19771 1491 1 7 . 1 1 430 430 LEU HA H 430 4.205 4.205 4.590 -0.385 19771 1492 1 7 . 1 1 430 430 LEU CA C 430 54.950 54.950 53.806 1.144 19771 1493 1 7 . 1 1 430 430 LEU CB C 430 42.474 42.474 44.942 -2.468 19771 1494 1 7 . 1 1 430 430 LEU H H 430 7.596 7.596 7.261 0.335 19771 1495 1 7 . 1 1 431 431 GLU N N 431 120.614 120.614 120.641 -0.027 19771 1496 1 7 . 1 1 431 431 GLU H H 431 8.157 8.157 8.275 -0.118 19771 1497 1 7 . 1 1 432 432 ASP HA H 432 4.387 4.387 4.392 -0.005 19771 1498 1 7 . 1 1 432 432 ASP CA C 432 54.365 54.365 55.085 -0.720 19771 1499 1 7 . 1 1 432 432 ASP CB C 432 41.027 41.027 40.100 0.927 19771 1500 1 7 . 1 1 433 433 SER N N 433 116.511 116.511 114.478 2.033 19771 1501 1 7 . 1 1 433 433 SER HA H 433 4.222 4.222 3.852 0.370 19771 1502 1 7 . 1 1 433 433 SER CA C 433 57.811 57.811 57.020 0.791 19771 1503 1 7 . 1 1 433 433 SER CB C 433 64.342 64.342 62.362 1.980 19771 1504 1 7 . 1 1 433 433 SER H H 433 7.926 7.926 7.742 0.184 19771 1505 1 7 . 1 1 434 434 LEU N N 434 124.239 124.239 123.050 1.189 19771 1506 1 7 . 1 1 434 434 LEU HA H 434 4.301 4.301 3.976 0.325 19771 1507 1 7 . 1 1 434 434 LEU CA C 434 54.780 54.780 56.005 -1.224 19771 1508 1 7 . 1 1 434 434 LEU CB C 434 43.682 43.682 42.895 0.787 19771 1509 1 7 . 1 1 434 434 LEU H H 434 8.161 8.161 7.180 0.981 19771 1510 1 7 . 1 1 435 435 CYS N N 435 121.658 121.658 124.840 -3.182 19771 1511 1 7 . 1 1 435 435 CYS HA H 435 3.767 3.767 4.373 -0.606 19771 1512 1 7 . 1 1 435 435 CYS CA C 435 60.505 60.505 60.083 0.422 19771 1513 1 7 . 1 1 435 435 CYS CB C 435 31.833 31.833 28.045 3.788 19771 1514 1 7 . 1 1 435 435 CYS H H 435 8.341 8.341 8.151 0.190 19771 1515 1 7 . 1 1 436 436 HIS N N 436 129.654 129.654 127.266 2.388 19771 1516 1 7 . 1 1 436 436 HIS HA H 436 4.436 4.436 4.576 -0.140 19771 1517 1 7 . 1 1 436 436 HIS CA C 436 58.775 58.775 57.815 0.960 19771 1518 1 7 . 1 1 436 436 HIS CB C 436 32.431 32.431 30.294 2.137 19771 1519 1 7 . 1 1 436 436 HIS H H 436 9.087 9.087 8.644 0.443 19771 1520 1 7 . 1 1 437 437 ILE N N 437 121.647 121.647 118.901 2.746 19771 1521 1 7 . 1 1 437 437 ILE HA H 437 4.122 4.122 4.071 0.051 19771 1522 1 7 . 1 1 437 437 ILE CA C 437 61.632 61.632 61.438 0.194 19771 1523 1 7 . 1 1 437 437 ILE CB C 437 35.149 35.149 39.412 -4.263 19771 1524 1 7 . 1 1 437 437 ILE H H 437 9.294 9.294 7.895 1.399 19771 1525 1 7 . 1 1 438 438 CYS N N 438 118.756 118.756 116.358 2.398 19771 1526 1 7 . 1 1 438 438 CYS HA H 438 4.719 4.719 4.600 0.119 19771 1527 1 7 . 1 1 438 438 CYS CB C 438 31.931 31.931 29.728 2.203 19771 1528 1 7 . 1 1 438 438 CYS H H 438 8.503 8.503 7.706 0.797 19771 1529 1 7 . 1 1 439 439 SER N N 439 116.341 116.341 116.063 0.278 19771 1530 1 7 . 1 1 439 439 SER HA H 439 4.348 4.348 4.190 0.158 19771 1531 1 7 . 1 1 439 439 SER CA C 439 60.131 60.131 59.706 0.425 19771 1532 1 7 . 1 1 439 439 SER CB C 439 62.642 62.642 61.137 1.505 19771 1533 1 7 . 1 1 439 439 SER H H 439 7.561 7.561 8.281 -0.720 19771 1534 1 7 . 1 1 440 440 SER N N 440 113.455 113.455 114.969 -1.514 19771 1535 1 7 . 1 1 440 440 SER HA H 440 4.777 4.777 4.388 0.389 19771 1536 1 7 . 1 1 440 440 SER CA C 440 58.703 58.703 59.984 -1.281 19771 1537 1 7 . 1 1 440 440 SER CB C 440 65.681 65.681 64.026 1.655 19771 1538 1 7 . 1 1 440 440 SER H H 440 8.272 8.272 7.891 0.381 19771 1539 1 7 . 1 1 441 441 GLN N N 441 118.674 118.674 115.863 2.811 19771 1540 1 7 . 1 1 441 441 GLN HA H 441 4.865 4.865 4.681 0.184 19771 1541 1 7 . 1 1 441 441 GLN CA C 441 52.802 52.802 52.850 -0.048 19771 1542 1 7 . 1 1 441 441 GLN CB C 441 30.560 30.560 28.946 1.614 19771 1543 1 7 . 1 1 441 441 GLN H H 441 7.355 7.355 7.593 -0.238 19771 1544 1 7 . 1 1 442 442 PRO HA H 442 4.349 4.349 4.262 0.087 19771 1545 1 7 . 1 1 442 442 PRO CA C 442 63.693 63.693 62.772 0.921 19771 1546 1 7 . 1 1 442 442 PRO CB C 442 32.549 32.549 31.126 1.423 19771 1547 1 7 . 1 1 443 443 GLY N N 443 110.126 110.126 113.252 -3.126 19771 1548 1 7 . 1 1 443 443 GLY CA C 443 46.097 46.097 43.892 2.205 19771 1549 1 7 . 1 1 443 443 GLY H H 443 8.819 8.819 7.941 0.878 19771 1550 1 7 . 1 1 444 444 PRO HA H 444 4.387 4.387 4.383 0.004 19771 1551 1 7 . 1 1 444 444 PRO CA C 444 63.025 63.025 63.372 -0.347 19771 1552 1 7 . 1 1 444 444 PRO CB C 444 32.737 32.737 31.955 0.782 19771 1553 1 7 . 1 1 445 445 PHE N N 445 116.262 116.262 116.476 -0.214 19771 1554 1 7 . 1 1 445 445 PHE HA H 445 4.962 4.962 5.318 -0.356 19771 1555 1 7 . 1 1 445 445 PHE CA C 445 56.014 56.014 55.858 0.155 19771 1556 1 7 . 1 1 445 445 PHE CB C 445 40.028 40.028 42.364 -2.336 19771 1557 1 7 . 1 1 445 445 PHE H H 445 8.066 8.066 7.711 0.355 19771 1558 1 7 . 1 1 446 446 PHE N N 446 126.081 126.081 120.822 5.259 19771 1559 1 7 . 1 1 446 446 PHE HA H 446 5.050 5.050 5.351 -0.301 19771 1560 1 7 . 1 1 446 446 PHE CA C 446 56.775 56.775 56.548 0.227 19771 1561 1 7 . 1 1 446 446 PHE CB C 446 41.731 41.731 43.274 -1.543 19771 1562 1 7 . 1 1 446 446 PHE H H 446 9.446 9.446 8.293 1.153 19771 1563 1 7 . 1 1 447 447 CYS N N 447 128.746 128.746 121.968 6.778 19771 1564 1 7 . 1 1 447 447 CYS HA H 447 4.874 4.874 4.846 0.028 19771 1565 1 7 . 1 1 447 447 CYS CA C 447 58.263 58.263 56.940 1.323 19771 1566 1 7 . 1 1 447 447 CYS CB C 447 30.994 30.994 30.750 0.244 19771 1567 1 7 . 1 1 447 447 CYS H H 447 7.729 7.729 7.276 0.453 19771 1568 1 7 . 1 1 448 448 ARG N N 448 125.530 125.530 121.977 3.553 19771 1569 1 7 . 1 1 448 448 ARG HA H 448 4.080 4.080 4.637 -0.557 19771 1570 1 7 . 1 1 448 448 ARG CA C 448 55.854 55.854 56.373 -0.519 19771 1571 1 7 . 1 1 448 448 ARG CB C 448 31.200 31.200 31.204 -0.004 19771 1572 1 7 . 1 1 448 448 ARG H H 448 8.783 8.783 8.615 0.168 19771 1573 1 7 . 1 1 449 449 ASP N N 449 123.969 123.969 120.897 3.072 19771 1574 1 7 . 1 1 449 449 ASP HA H 449 4.155 4.155 4.691 -0.536 19771 1575 1 7 . 1 1 449 449 ASP CA C 449 56.118 56.118 54.074 2.044 19771 1576 1 7 . 1 1 449 449 ASP CB C 449 43.634 43.634 41.871 1.762 19771 1577 1 7 . 1 1 449 449 ASP H H 449 8.117 8.117 7.436 0.681 19771 1578 1 7 . 1 1 450 450 GLN N N 450 125.410 125.410 120.565 4.845 19771 1579 1 7 . 1 1 450 450 GLN HA H 450 3.832 3.832 4.080 -0.248 19771 1580 1 7 . 1 1 450 450 GLN CA C 450 59.127 59.127 58.309 0.818 19771 1581 1 7 . 1 1 450 450 GLN CB C 450 28.699 28.699 28.054 0.645 19771 1582 1 7 . 1 1 450 450 GLN H H 450 8.670 8.670 8.794 -0.124 19771 1583 1 7 . 1 1 451 451 VAL N N 451 113.164 113.164 112.420 0.744 19771 1584 1 7 . 1 1 451 451 VAL HA H 451 4.240 4.240 4.371 -0.131 19771 1585 1 7 . 1 1 451 451 VAL CA C 451 63.199 63.199 61.466 1.733 19771 1586 1 7 . 1 1 451 451 VAL CB C 451 31.439 31.439 31.864 -0.425 19771 1587 1 7 . 1 1 451 451 VAL H H 451 8.591 8.591 7.842 0.749 19771 1588 1 7 . 1 1 452 452 CYS N N 452 120.986 120.986 114.458 6.528 19771 1589 1 7 . 1 1 452 452 CYS HA H 452 4.502 4.502 4.941 -0.439 19771 1590 1 7 . 1 1 452 452 CYS CA C 452 60.474 60.474 57.350 3.124 19771 1591 1 7 . 1 1 452 452 CYS CB C 452 31.715 31.715 26.854 4.861 19771 1592 1 7 . 1 1 452 452 CYS H H 452 7.963 7.963 7.625 0.338 19771 1593 1 7 . 1 1 453 453 PHE N N 453 129.406 129.406 124.469 4.937 19771 1594 1 7 . 1 1 453 453 PHE HA H 453 4.121 4.121 4.615 -0.494 19771 1595 1 7 . 1 1 453 453 PHE CA C 453 59.700 59.700 57.741 1.959 19771 1596 1 7 . 1 1 453 453 PHE CB C 453 38.328 38.328 37.279 1.049 19771 1597 1 7 . 1 1 453 453 PHE H H 453 7.880 7.880 8.470 -0.590 19771 1598 1 7 . 1 1 454 454 LYS N N 454 113.628 113.628 118.761 -5.133 19771 1599 1 7 . 1 1 454 454 LYS HA H 454 4.423 4.423 4.365 0.058 19771 1600 1 7 . 1 1 454 454 LYS CA C 454 54.050 54.050 53.094 0.956 19771 1601 1 7 . 1 1 454 454 LYS CB C 454 37.833 37.833 35.614 2.219 19771 1602 1 7 . 1 1 454 454 LYS H H 454 6.384 6.384 7.797 -1.413 19771 1603 1 7 . 1 1 455 455 TYR N N 455 117.756 117.756 117.351 0.405 19771 1604 1 7 . 1 1 455 455 TYR HA H 455 5.111 5.111 5.065 0.046 19771 1605 1 7 . 1 1 455 455 TYR CA C 455 58.616 58.616 58.500 0.116 19771 1606 1 7 . 1 1 455 455 TYR CB C 455 39.956 39.956 39.905 0.051 19771 1607 1 7 . 1 1 455 455 TYR H H 455 7.100 7.100 8.531 -1.431 19771 1608 1 7 . 1 1 456 456 PHE N N 456 117.529 117.529 116.167 1.362 19771 1609 1 7 . 1 1 456 456 PHE HA H 456 6.342 6.342 5.145 1.197 19771 1610 1 7 . 1 1 456 456 PHE CA C 456 57.017 57.017 56.895 0.122 19771 1611 1 7 . 1 1 456 456 PHE CB C 456 45.138 45.138 44.217 0.921 19771 1612 1 7 . 1 1 456 456 PHE H H 456 9.527 9.527 8.969 0.558 19771 1613 1 7 . 1 1 457 457 CYS N N 457 119.575 119.575 117.059 2.516 19771 1614 1 7 . 1 1 457 457 CYS HA H 457 5.435 5.435 5.232 0.203 19771 1615 1 7 . 1 1 457 457 CYS CA C 457 58.044 58.044 55.806 2.239 19771 1616 1 7 . 1 1 457 457 CYS CB C 457 32.277 32.277 31.411 0.866 19771 1617 1 7 . 1 1 457 457 CYS H H 457 9.710 9.710 8.909 0.801 19771 1618 1 7 . 1 1 458 458 ARG N N 458 120.479 120.479 120.982 -0.503 19771 1619 1 7 . 1 1 458 458 ARG HA H 458 3.750 3.750 4.056 -0.306 19771 1620 1 7 . 1 1 458 458 ARG CA C 458 60.863 60.863 59.857 1.006 19771 1621 1 7 . 1 1 458 458 ARG CB C 458 30.407 30.407 29.888 0.519 19771 1622 1 7 . 1 1 458 458 ARG H H 458 9.300 9.300 9.127 0.173 19771 1623 1 7 . 1 1 459 459 SER N N 459 114.502 114.502 115.343 -0.841 19771 1624 1 7 . 1 1 459 459 SER HA H 459 4.424 4.424 4.525 -0.101 19771 1625 1 7 . 1 1 459 459 SER CA C 459 62.116 62.116 60.707 1.409 19771 1626 1 7 . 1 1 459 459 SER CB C 459 62.828 62.828 63.200 -0.372 19771 1627 1 7 . 1 1 459 459 SER H H 459 8.482 8.482 8.217 0.265 19771 1628 1 7 . 1 1 460 460 CYS N N 460 126.957 126.957 120.297 6.660 19771 1629 1 7 . 1 1 460 460 CYS HA H 460 4.402 4.402 4.563 -0.161 19771 1630 1 7 . 1 1 460 460 CYS CA C 460 65.041 65.041 61.102 3.939 19771 1631 1 7 . 1 1 460 460 CYS CB C 460 30.694 30.694 26.485 4.209 19771 1632 1 7 . 1 1 460 460 CYS H H 460 9.474 9.474 7.900 1.574 19771 1633 1 7 . 1 1 461 461 TRP N N 461 121.032 121.032 122.541 -1.509 19771 1634 1 7 . 1 1 461 461 TRP HA H 461 3.259 3.259 4.140 -0.881 19771 1635 1 7 . 1 1 461 461 TRP CA C 461 62.794 62.794 60.785 2.009 19771 1636 1 7 . 1 1 461 461 TRP CB C 461 27.672 27.672 29.272 -1.600 19771 1637 1 7 . 1 1 461 461 TRP H H 461 9.553 9.553 8.943 0.610 19771 1638 1 7 . 1 1 462 462 HIS N N 462 119.358 119.358 114.486 4.872 19771 1639 1 7 . 1 1 462 462 HIS HA H 462 4.280 4.280 4.552 -0.272 19771 1640 1 7 . 1 1 462 462 HIS CA C 462 59.828 59.828 58.840 0.988 19771 1641 1 7 . 1 1 462 462 HIS CB C 462 30.330 30.330 29.680 0.650 19771 1642 1 7 . 1 1 462 462 HIS H H 462 8.007 8.007 7.751 0.256 19771 1643 1 7 . 1 1 463 463 TRP N N 463 121.005 121.005 121.303 -0.298 19771 1644 1 7 . 1 1 463 463 TRP HA H 463 4.179 4.179 4.535 -0.356 19771 1645 1 7 . 1 1 463 463 TRP CA C 463 60.915 60.915 59.308 1.607 19771 1646 1 7 . 1 1 463 463 TRP CB C 463 28.556 28.556 30.062 -1.506 19771 1647 1 7 . 1 1 463 463 TRP H H 463 8.146 8.146 7.715 0.431 19771 1648 1 7 . 1 1 464 464 ARG N N 464 117.937 117.937 116.474 1.463 19771 1649 1 7 . 1 1 464 464 ARG HA H 464 3.160 3.160 3.927 -0.767 19771 1650 1 7 . 1 1 464 464 ARG CA C 464 57.153 57.153 56.173 0.980 19771 1651 1 7 . 1 1 464 464 ARG CB C 464 29.998 29.998 31.127 -1.129 19771 1652 1 7 . 1 1 464 464 ARG H H 464 8.136 8.136 7.221 0.915 19771 1653 1 7 . 1 1 465 465 HIS N N 465 109.139 109.139 116.703 -7.564 19771 1654 1 7 . 1 1 465 465 HIS HA H 465 3.729 3.729 4.427 -0.698 19771 1655 1 7 . 1 1 465 465 HIS CA C 465 58.797 58.797 56.220 2.577 19771 1656 1 7 . 1 1 465 465 HIS CB C 465 25.377 25.377 30.289 -4.912 19771 1657 1 7 . 1 1 465 465 HIS H H 465 7.359 7.359 8.104 -0.745 19771 1658 1 7 . 1 1 466 466 SER N N 466 112.123 112.123 114.657 -2.534 19771 1659 1 7 . 1 1 466 466 SER HA H 466 4.273 4.273 4.405 -0.132 19771 1660 1 7 . 1 1 466 466 SER CA C 466 58.999 58.999 58.477 0.522 19771 1661 1 7 . 1 1 466 466 SER CB C 466 63.431 63.431 63.129 0.302 19771 1662 1 7 . 1 1 466 466 SER H H 466 6.897 6.897 8.075 -1.178 19771 1663 1 7 . 1 1 467 467 MET N N 467 121.282 121.282 119.603 1.679 19771 1664 1 7 . 1 1 467 467 MET HA H 467 4.133 4.133 4.534 -0.401 19771 1665 1 7 . 1 1 467 467 MET CA C 467 55.435 55.435 55.925 -0.490 19771 1666 1 7 . 1 1 467 467 MET CB C 467 33.206 33.206 33.487 -0.281 19771 1667 1 7 . 1 1 467 467 MET H H 467 6.766 6.766 7.084 -0.318 19771 1668 1 7 . 1 1 468 468 GLU N N 468 122.864 122.864 122.918 -0.054 19771 1669 1 7 . 1 1 468 468 GLU HA H 468 3.754 3.754 4.189 -0.435 19771 1670 1 7 . 1 1 468 468 GLU CA C 468 58.708 58.708 56.500 2.208 19771 1671 1 7 . 1 1 468 468 GLU CB C 468 29.457 29.457 27.387 2.070 19771 1672 1 7 . 1 1 468 468 GLU H H 468 8.455 8.455 8.574 -0.119 19771 1673 1 7 . 1 1 469 469 GLY N N 469 112.643 112.643 109.827 2.816 19771 1674 1 7 . 1 1 469 469 GLY CA C 469 45.398 45.398 45.747 -0.349 19771 1675 1 7 . 1 1 469 469 GLY H H 469 8.893 8.893 8.315 0.578 19771 1676 1 7 . 1 1 470 470 LEU N N 470 118.167 118.167 120.102 -1.935 19771 1677 1 7 . 1 1 470 470 LEU HA H 470 3.862 3.862 4.348 -0.486 19771 1678 1 7 . 1 1 470 470 LEU CA C 470 54.284 54.284 53.631 0.653 19771 1679 1 7 . 1 1 470 470 LEU CB C 470 42.923 42.923 41.824 1.099 19771 1680 1 7 . 1 1 470 470 LEU H H 470 7.642 7.642 7.281 0.361 19771 1681 1 7 . 1 1 471 471 ARG N N 471 115.958 115.958 118.544 -2.586 19771 1682 1 7 . 1 1 471 471 ARG HA H 471 4.328 4.328 4.102 0.226 19771 1683 1 7 . 1 1 471 471 ARG CA C 471 58.357 58.357 57.120 1.238 19771 1684 1 7 . 1 1 471 471 ARG CB C 471 30.183 30.183 29.103 1.080 19771 1685 1 7 . 1 1 471 471 ARG H H 471 7.256 7.256 8.318 -1.062 19771 1686 1 7 . 1 1 472 472 HIS N N 472 113.710 113.710 113.181 0.529 19771 1687 1 7 . 1 1 472 472 HIS HA H 472 4.635 4.635 4.636 -0.001 19771 1688 1 7 . 1 1 472 472 HIS CA C 472 56.199 56.199 55.598 0.601 19771 1689 1 7 . 1 1 472 472 HIS CB C 472 30.157 30.157 29.586 0.571 19771 1690 1 7 . 1 1 472 472 HIS H H 472 8.410 8.410 7.938 0.472 19771 1691 1 7 . 1 1 473 473 HIS N N 473 122.456 122.456 121.090 1.366 19771 1692 1 7 . 1 1 473 473 HIS HA H 473 4.418 4.418 4.451 -0.033 19771 1693 1 7 . 1 1 473 473 HIS CA C 473 55.485 55.485 55.892 -0.407 19771 1694 1 7 . 1 1 473 473 HIS CB C 473 31.291 31.291 30.322 0.969 19771 1695 1 7 . 1 1 473 473 HIS H H 473 6.899 6.899 7.172 -0.273 19771 1696 1 7 . 1 1 474 474 SER N N 474 117.590 117.590 116.498 1.092 19771 1697 1 7 . 1 1 474 474 SER HA H 474 5.065 5.065 4.859 0.206 19771 1698 1 7 . 1 1 474 474 SER CA C 474 55.164 55.164 55.663 -0.499 19771 1699 1 7 . 1 1 474 474 SER CB C 474 64.749 64.749 66.029 -1.280 19771 1700 1 7 . 1 1 474 474 SER H H 474 8.600 8.600 8.321 0.279 19771 1701 1 7 . 1 1 475 475 PRO HA H 475 4.258 4.258 3.742 0.516 19771 1702 1 7 . 1 1 475 475 PRO CA C 475 62.975 62.975 63.013 -0.038 19771 1703 1 7 . 1 1 475 475 PRO CB C 475 31.696 31.696 31.797 -0.101 19771 1704 1 7 . 1 1 476 476 LEU N N 476 123.672 123.672 121.443 2.229 19771 1705 1 7 . 1 1 476 476 LEU CB C 476 44.146 44.146 46.438 -2.292 19771 1706 1 7 . 1 1 476 476 LEU H H 476 8.843 8.843 8.325 0.518 19771 1707 1 7 . 1 1 477 477 MET N N 477 122.428 122.428 119.707 2.721 19771 1708 1 7 . 1 1 477 477 MET HA H 477 4.918 4.918 4.887 0.031 19771 1709 1 7 . 1 1 477 477 MET CA C 477 54.604 54.604 55.130 -0.526 19771 1710 1 7 . 1 1 477 477 MET CB C 477 34.225 34.225 34.671 -0.446 19771 1711 1 7 . 1 1 477 477 MET H H 477 8.564 8.564 8.370 0.194 19771 1712 1 7 . 1 1 478 478 ARG N N 478 123.419 123.419 126.493 -3.074 19771 1713 1 7 . 1 1 478 478 ARG CB C 478 32.024 32.024 32.823 -0.799 19771 1714 1 7 . 1 1 478 478 ARG H H 478 8.825 8.825 8.359 0.466 19771 1715 1 7 . 1 1 481 481 LYS N N 481 122.000 122.000 118.762 3.238 19771 1716 1 7 . 1 1 481 481 LYS H H 481 8.284 8.284 8.220 0.064 19771 1717 1 7 . 1 1 482 482 ASN N N 482 119.466 119.466 118.151 1.315 19771 1718 1 7 . 1 1 482 482 ASN H H 482 8.379 8.379 8.341 0.038 19771 1719 1 7 . 1 1 483 483 ARG N N 483 121.400 121.400 120.768 0.632 19771 1720 1 7 . 1 1 483 483 ARG H H 483 8.302 8.302 8.789 -0.487 19771 1721 1 7 . 1 1 485 485 SER N N 485 115.800 115.800 115.014 0.786 19771 1722 1 7 . 1 1 485 485 SER H H 485 8.112 8.112 8.499 -0.387 19771 1723 1 8 . 1 1 427 427 ASP N N 427 125.779 125.779 124.615 1.164 19771 1724 1 8 . 1 1 427 427 ASP HA H 427 4.829 4.829 5.008 -0.179 19771 1725 1 8 . 1 1 427 427 ASP CA C 427 52.150 52.150 52.648 -0.498 19771 1726 1 8 . 1 1 427 427 ASP CB C 427 41.537 41.537 43.116 -1.579 19771 1727 1 8 . 1 1 427 427 ASP H H 427 8.293 8.293 8.573 -0.280 19771 1728 1 8 . 1 1 428 428 PRO HA H 428 4.229 4.229 4.353 -0.124 19771 1729 1 8 . 1 1 428 428 PRO CA C 428 63.337 63.337 63.333 0.004 19771 1730 1 8 . 1 1 428 428 PRO CB C 428 32.019 32.019 31.727 0.292 19771 1731 1 8 . 1 1 429 429 TYR N N 429 119.152 119.152 114.907 4.245 19771 1732 1 8 . 1 1 429 429 TYR HA H 429 4.421 4.421 4.108 0.313 19771 1733 1 8 . 1 1 429 429 TYR CA C 429 57.961 57.961 59.441 -1.480 19771 1734 1 8 . 1 1 429 429 TYR CB C 429 37.968 37.968 36.694 1.274 19771 1735 1 8 . 1 1 429 429 TYR H H 429 8.136 8.136 8.388 -0.252 19771 1736 1 8 . 1 1 430 430 LEU N N 430 122.733 122.733 115.625 7.108 19771 1737 1 8 . 1 1 430 430 LEU HA H 430 4.205 4.205 4.414 -0.209 19771 1738 1 8 . 1 1 430 430 LEU CA C 430 54.950 54.950 52.987 1.962 19771 1739 1 8 . 1 1 430 430 LEU CB C 430 42.474 42.474 45.215 -2.741 19771 1740 1 8 . 1 1 430 430 LEU H H 430 7.596 7.596 7.485 0.111 19771 1741 1 8 . 1 1 431 431 GLU N N 431 120.614 120.614 120.295 0.319 19771 1742 1 8 . 1 1 431 431 GLU H H 431 8.157 8.157 8.001 0.156 19771 1743 1 8 . 1 1 432 432 ASP HA H 432 4.387 4.387 4.462 -0.075 19771 1744 1 8 . 1 1 432 432 ASP CA C 432 54.365 54.365 55.768 -1.403 19771 1745 1 8 . 1 1 432 432 ASP CB C 432 41.027 41.027 40.866 0.161 19771 1746 1 8 . 1 1 433 433 SER N N 433 116.511 116.511 113.087 3.424 19771 1747 1 8 . 1 1 433 433 SER HA H 433 4.222 4.222 3.474 0.748 19771 1748 1 8 . 1 1 433 433 SER CA C 433 57.811 57.811 58.371 -0.560 19771 1749 1 8 . 1 1 433 433 SER CB C 433 64.342 64.342 62.832 1.510 19771 1750 1 8 . 1 1 433 433 SER H H 433 7.926 7.926 7.973 -0.047 19771 1751 1 8 . 1 1 434 434 LEU N N 434 124.239 124.239 122.902 1.337 19771 1752 1 8 . 1 1 434 434 LEU HA H 434 4.301 4.301 4.075 0.226 19771 1753 1 8 . 1 1 434 434 LEU CA C 434 54.780 54.780 55.332 -0.552 19771 1754 1 8 . 1 1 434 434 LEU CB C 434 43.682 43.682 42.931 0.751 19771 1755 1 8 . 1 1 434 434 LEU H H 434 8.161 8.161 6.923 1.238 19771 1756 1 8 . 1 1 435 435 CYS N N 435 121.658 121.658 125.563 -3.905 19771 1757 1 8 . 1 1 435 435 CYS HA H 435 3.767 3.767 4.447 -0.680 19771 1758 1 8 . 1 1 435 435 CYS CA C 435 60.505 60.505 59.335 1.170 19771 1759 1 8 . 1 1 435 435 CYS CB C 435 31.833 31.833 27.240 4.593 19771 1760 1 8 . 1 1 435 435 CYS H H 435 8.341 8.341 8.009 0.332 19771 1761 1 8 . 1 1 436 436 HIS N N 436 129.654 129.654 128.057 1.597 19771 1762 1 8 . 1 1 436 436 HIS HA H 436 4.436 4.436 4.652 -0.216 19771 1763 1 8 . 1 1 436 436 HIS CA C 436 58.775 58.775 57.547 1.228 19771 1764 1 8 . 1 1 436 436 HIS CB C 436 32.431 32.431 30.255 2.176 19771 1765 1 8 . 1 1 436 436 HIS H H 436 9.087 9.087 8.700 0.387 19771 1766 1 8 . 1 1 437 437 ILE N N 437 121.647 121.647 118.484 3.163 19771 1767 1 8 . 1 1 437 437 ILE HA H 437 4.122 4.122 4.430 -0.308 19771 1768 1 8 . 1 1 437 437 ILE CA C 437 61.632 61.632 61.795 -0.163 19771 1769 1 8 . 1 1 437 437 ILE CB C 437 35.149 35.149 39.188 -4.040 19771 1770 1 8 . 1 1 437 437 ILE H H 437 9.294 9.294 8.050 1.244 19771 1771 1 8 . 1 1 438 438 CYS N N 438 118.756 118.756 115.928 2.828 19771 1772 1 8 . 1 1 438 438 CYS HA H 438 4.719 4.719 4.771 -0.052 19771 1773 1 8 . 1 1 438 438 CYS CB C 438 31.931 31.931 30.523 1.408 19771 1774 1 8 . 1 1 438 438 CYS H H 438 8.503 8.503 7.760 0.743 19771 1775 1 8 . 1 1 439 439 SER N N 439 116.341 116.341 115.685 0.656 19771 1776 1 8 . 1 1 439 439 SER HA H 439 4.348 4.348 4.128 0.220 19771 1777 1 8 . 1 1 439 439 SER CA C 439 60.131 60.131 59.478 0.652 19771 1778 1 8 . 1 1 439 439 SER CB C 439 62.642 62.642 60.978 1.664 19771 1779 1 8 . 1 1 439 439 SER H H 439 7.561 7.561 7.819 -0.258 19771 1780 1 8 . 1 1 440 440 SER N N 440 113.455 113.455 114.716 -1.261 19771 1781 1 8 . 1 1 440 440 SER HA H 440 4.777 4.777 4.376 0.401 19771 1782 1 8 . 1 1 440 440 SER CA C 440 58.703 58.703 59.765 -1.062 19771 1783 1 8 . 1 1 440 440 SER CB C 440 65.681 65.681 63.917 1.764 19771 1784 1 8 . 1 1 440 440 SER H H 440 8.272 8.272 7.847 0.425 19771 1785 1 8 . 1 1 441 441 GLN N N 441 118.674 118.674 118.003 0.671 19771 1786 1 8 . 1 1 441 441 GLN HA H 441 4.865 4.865 4.702 0.163 19771 1787 1 8 . 1 1 441 441 GLN CA C 441 52.802 52.802 53.051 -0.249 19771 1788 1 8 . 1 1 441 441 GLN CB C 441 30.560 30.560 28.855 1.705 19771 1789 1 8 . 1 1 441 441 GLN H H 441 7.355 7.355 7.503 -0.148 19771 1790 1 8 . 1 1 442 442 PRO HA H 442 4.349 4.349 4.264 0.085 19771 1791 1 8 . 1 1 442 442 PRO CA C 442 63.693 63.693 63.150 0.543 19771 1792 1 8 . 1 1 442 442 PRO CB C 442 32.549 32.549 31.622 0.927 19771 1793 1 8 . 1 1 443 443 GLY N N 443 110.126 110.126 107.022 3.104 19771 1794 1 8 . 1 1 443 443 GLY CA C 443 46.097 46.097 44.696 1.401 19771 1795 1 8 . 1 1 443 443 GLY H H 443 8.819 8.819 7.317 1.502 19771 1796 1 8 . 1 1 444 444 PRO HA H 444 4.387 4.387 4.454 -0.067 19771 1797 1 8 . 1 1 444 444 PRO CA C 444 63.025 63.025 63.841 -0.816 19771 1798 1 8 . 1 1 444 444 PRO CB C 444 32.737 32.737 32.141 0.596 19771 1799 1 8 . 1 1 445 445 PHE N N 445 116.262 116.262 117.410 -1.148 19771 1800 1 8 . 1 1 445 445 PHE HA H 445 4.962 4.962 5.516 -0.554 19771 1801 1 8 . 1 1 445 445 PHE CA C 445 56.014 56.014 56.248 -0.234 19771 1802 1 8 . 1 1 445 445 PHE CB C 445 40.028 40.028 43.172 -3.143 19771 1803 1 8 . 1 1 445 445 PHE H H 445 8.066 8.066 7.868 0.198 19771 1804 1 8 . 1 1 446 446 PHE N N 446 126.081 126.081 121.606 4.475 19771 1805 1 8 . 1 1 446 446 PHE HA H 446 5.050 5.050 5.157 -0.107 19771 1806 1 8 . 1 1 446 446 PHE CA C 446 56.775 56.775 56.200 0.576 19771 1807 1 8 . 1 1 446 446 PHE CB C 446 41.731 41.731 42.726 -0.995 19771 1808 1 8 . 1 1 446 446 PHE H H 446 9.446 9.446 8.480 0.966 19771 1809 1 8 . 1 1 447 447 CYS N N 447 128.746 128.746 127.365 1.381 19771 1810 1 8 . 1 1 447 447 CYS HA H 447 4.874 4.874 4.845 0.029 19771 1811 1 8 . 1 1 447 447 CYS CA C 447 58.263 58.263 57.442 0.821 19771 1812 1 8 . 1 1 447 447 CYS CB C 447 30.994 30.994 29.928 1.066 19771 1813 1 8 . 1 1 447 447 CYS H H 447 7.729 7.729 8.106 -0.377 19771 1814 1 8 . 1 1 448 448 ARG N N 448 125.530 125.530 124.737 0.793 19771 1815 1 8 . 1 1 448 448 ARG HA H 448 4.080 4.080 4.001 0.079 19771 1816 1 8 . 1 1 448 448 ARG CA C 448 55.854 55.854 55.197 0.657 19771 1817 1 8 . 1 1 448 448 ARG CB C 448 31.200 31.200 30.399 0.801 19771 1818 1 8 . 1 1 448 448 ARG H H 448 8.783 8.783 8.328 0.455 19771 1819 1 8 . 1 1 449 449 ASP N N 449 123.969 123.969 120.593 3.376 19771 1820 1 8 . 1 1 449 449 ASP HA H 449 4.155 4.155 4.489 -0.334 19771 1821 1 8 . 1 1 449 449 ASP CA C 449 56.118 56.118 55.343 0.775 19771 1822 1 8 . 1 1 449 449 ASP CB C 449 43.634 43.634 41.385 2.249 19771 1823 1 8 . 1 1 449 449 ASP H H 449 8.117 8.117 7.411 0.706 19771 1824 1 8 . 1 1 450 450 GLN N N 450 125.410 125.410 119.415 5.995 19771 1825 1 8 . 1 1 450 450 GLN HA H 450 3.832 3.832 4.037 -0.205 19771 1826 1 8 . 1 1 450 450 GLN CA C 450 59.127 59.127 58.407 0.720 19771 1827 1 8 . 1 1 450 450 GLN CB C 450 28.699 28.699 28.273 0.426 19771 1828 1 8 . 1 1 450 450 GLN H H 450 8.670 8.670 8.850 -0.180 19771 1829 1 8 . 1 1 451 451 VAL N N 451 113.164 113.164 111.797 1.367 19771 1830 1 8 . 1 1 451 451 VAL HA H 451 4.240 4.240 4.342 -0.102 19771 1831 1 8 . 1 1 451 451 VAL CA C 451 63.199 63.199 61.257 1.942 19771 1832 1 8 . 1 1 451 451 VAL CB C 451 31.439 31.439 31.953 -0.514 19771 1833 1 8 . 1 1 451 451 VAL H H 451 8.591 8.591 7.695 0.896 19771 1834 1 8 . 1 1 452 452 CYS N N 452 120.986 120.986 118.997 1.989 19771 1835 1 8 . 1 1 452 452 CYS HA H 452 4.502 4.502 4.879 -0.377 19771 1836 1 8 . 1 1 452 452 CYS CA C 452 60.474 60.474 59.916 0.558 19771 1837 1 8 . 1 1 452 452 CYS CB C 452 31.715 31.715 29.153 2.562 19771 1838 1 8 . 1 1 452 452 CYS H H 452 7.963 7.963 7.712 0.251 19771 1839 1 8 . 1 1 453 453 PHE N N 453 129.406 129.406 119.986 9.420 19771 1840 1 8 . 1 1 453 453 PHE HA H 453 4.121 4.121 4.129 -0.008 19771 1841 1 8 . 1 1 453 453 PHE CA C 453 59.700 59.700 59.523 0.177 19771 1842 1 8 . 1 1 453 453 PHE CB C 453 38.328 38.328 37.445 0.883 19771 1843 1 8 . 1 1 453 453 PHE H H 453 7.880 7.880 8.083 -0.203 19771 1844 1 8 . 1 1 454 454 LYS N N 454 113.628 113.628 116.009 -2.381 19771 1845 1 8 . 1 1 454 454 LYS HA H 454 4.423 4.423 4.276 0.147 19771 1846 1 8 . 1 1 454 454 LYS CA C 454 54.050 54.050 53.555 0.495 19771 1847 1 8 . 1 1 454 454 LYS CB C 454 37.833 37.833 36.407 1.426 19771 1848 1 8 . 1 1 454 454 LYS H H 454 6.384 6.384 7.386 -1.002 19771 1849 1 8 . 1 1 455 455 TYR N N 455 117.756 117.756 117.355 0.401 19771 1850 1 8 . 1 1 455 455 TYR HA H 455 5.111 5.111 4.967 0.144 19771 1851 1 8 . 1 1 455 455 TYR CA C 455 58.616 58.616 58.819 -0.203 19771 1852 1 8 . 1 1 455 455 TYR CB C 455 39.956 39.956 39.962 -0.006 19771 1853 1 8 . 1 1 455 455 TYR H H 455 7.100 7.100 7.752 -0.652 19771 1854 1 8 . 1 1 456 456 PHE N N 456 117.529 117.529 116.338 1.191 19771 1855 1 8 . 1 1 456 456 PHE HA H 456 6.342 6.342 5.112 1.230 19771 1856 1 8 . 1 1 456 456 PHE CA C 456 57.017 57.017 56.928 0.089 19771 1857 1 8 . 1 1 456 456 PHE CB C 456 45.138 45.138 44.117 1.021 19771 1858 1 8 . 1 1 456 456 PHE H H 456 9.527 9.527 9.040 0.487 19771 1859 1 8 . 1 1 457 457 CYS N N 457 119.575 119.575 116.868 2.707 19771 1860 1 8 . 1 1 457 457 CYS HA H 457 5.435 5.435 5.220 0.215 19771 1861 1 8 . 1 1 457 457 CYS CA C 457 58.044 58.044 55.844 2.200 19771 1862 1 8 . 1 1 457 457 CYS CB C 457 32.277 32.277 31.133 1.144 19771 1863 1 8 . 1 1 457 457 CYS H H 457 9.710 9.710 8.825 0.885 19771 1864 1 8 . 1 1 458 458 ARG N N 458 120.479 120.479 120.903 -0.424 19771 1865 1 8 . 1 1 458 458 ARG HA H 458 3.750 3.750 3.803 -0.053 19771 1866 1 8 . 1 1 458 458 ARG CA C 458 60.863 60.863 59.641 1.222 19771 1867 1 8 . 1 1 458 458 ARG CB C 458 30.407 30.407 29.718 0.689 19771 1868 1 8 . 1 1 458 458 ARG H H 458 9.300 9.300 9.040 0.260 19771 1869 1 8 . 1 1 459 459 SER N N 459 114.502 114.502 114.036 0.466 19771 1870 1 8 . 1 1 459 459 SER HA H 459 4.424 4.424 4.025 0.399 19771 1871 1 8 . 1 1 459 459 SER CA C 459 62.116 62.116 60.621 1.495 19771 1872 1 8 . 1 1 459 459 SER CB C 459 62.828 62.828 62.623 0.205 19771 1873 1 8 . 1 1 459 459 SER H H 459 8.482 8.482 8.106 0.376 19771 1874 1 8 . 1 1 460 460 CYS N N 460 126.957 126.957 119.769 7.188 19771 1875 1 8 . 1 1 460 460 CYS HA H 460 4.402 4.402 4.340 0.062 19771 1876 1 8 . 1 1 460 460 CYS CA C 460 65.041 65.041 60.661 4.380 19771 1877 1 8 . 1 1 460 460 CYS CB C 460 30.694 30.694 26.613 4.081 19771 1878 1 8 . 1 1 460 460 CYS H H 460 9.474 9.474 7.538 1.936 19771 1879 1 8 . 1 1 461 461 TRP N N 461 121.032 121.032 121.987 -0.955 19771 1880 1 8 . 1 1 461 461 TRP HA H 461 3.259 3.259 4.011 -0.752 19771 1881 1 8 . 1 1 461 461 TRP CA C 461 62.794 62.794 60.693 2.101 19771 1882 1 8 . 1 1 461 461 TRP CB C 461 27.672 27.672 28.963 -1.291 19771 1883 1 8 . 1 1 461 461 TRP H H 461 9.553 9.553 8.628 0.925 19771 1884 1 8 . 1 1 462 462 HIS N N 462 119.358 119.358 115.387 3.971 19771 1885 1 8 . 1 1 462 462 HIS HA H 462 4.280 4.280 4.492 -0.212 19771 1886 1 8 . 1 1 462 462 HIS CA C 462 59.828 59.828 59.038 0.791 19771 1887 1 8 . 1 1 462 462 HIS CB C 462 30.330 30.330 29.320 1.010 19771 1888 1 8 . 1 1 462 462 HIS H H 462 8.007 8.007 7.428 0.579 19771 1889 1 8 . 1 1 463 463 TRP N N 463 121.005 121.005 117.546 3.459 19771 1890 1 8 . 1 1 463 463 TRP HA H 463 4.179 4.179 4.652 -0.473 19771 1891 1 8 . 1 1 463 463 TRP CA C 463 60.915 60.915 57.690 3.225 19771 1892 1 8 . 1 1 463 463 TRP CB C 463 28.556 28.556 28.603 -0.047 19771 1893 1 8 . 1 1 463 463 TRP H H 463 8.146 8.146 7.498 0.648 19771 1894 1 8 . 1 1 464 464 ARG N N 464 117.937 117.937 115.211 2.726 19771 1895 1 8 . 1 1 464 464 ARG HA H 464 3.160 3.160 4.240 -1.080 19771 1896 1 8 . 1 1 464 464 ARG CA C 464 57.153 57.153 55.282 1.871 19771 1897 1 8 . 1 1 464 464 ARG CB C 464 29.998 29.998 30.316 -0.318 19771 1898 1 8 . 1 1 464 464 ARG H H 464 8.136 8.136 7.210 0.926 19771 1899 1 8 . 1 1 465 465 HIS N N 465 109.139 109.139 115.792 -6.653 19771 1900 1 8 . 1 1 465 465 HIS HA H 465 3.729 3.729 4.666 -0.937 19771 1901 1 8 . 1 1 465 465 HIS CA C 465 58.797 58.797 55.206 3.591 19771 1902 1 8 . 1 1 465 465 HIS CB C 465 25.377 25.377 30.338 -4.961 19771 1903 1 8 . 1 1 465 465 HIS H H 465 7.359 7.359 7.495 -0.136 19771 1904 1 8 . 1 1 466 466 SER N N 466 112.123 112.123 115.998 -3.875 19771 1905 1 8 . 1 1 466 466 SER HA H 466 4.273 4.273 4.310 -0.037 19771 1906 1 8 . 1 1 466 466 SER CA C 466 58.999 58.999 60.601 -1.602 19771 1907 1 8 . 1 1 466 466 SER CB C 466 63.431 63.431 63.463 -0.032 19771 1908 1 8 . 1 1 466 466 SER H H 466 6.897 6.897 7.780 -0.883 19771 1909 1 8 . 1 1 467 467 MET N N 467 121.282 121.282 119.148 2.134 19771 1910 1 8 . 1 1 467 467 MET HA H 467 4.133 4.133 4.721 -0.588 19771 1911 1 8 . 1 1 467 467 MET CA C 467 55.435 55.435 54.784 0.651 19771 1912 1 8 . 1 1 467 467 MET CB C 467 33.206 33.206 33.573 -0.367 19771 1913 1 8 . 1 1 467 467 MET H H 467 6.766 6.766 7.703 -0.937 19771 1914 1 8 . 1 1 468 468 GLU N N 468 122.864 122.864 122.112 0.752 19771 1915 1 8 . 1 1 468 468 GLU HA H 468 3.754 3.754 4.237 -0.483 19771 1916 1 8 . 1 1 468 468 GLU CA C 468 58.708 58.708 58.574 0.134 19771 1917 1 8 . 1 1 468 468 GLU CB C 468 29.457 29.457 28.755 0.702 19771 1918 1 8 . 1 1 468 468 GLU H H 468 8.455 8.455 8.956 -0.501 19771 1919 1 8 . 1 1 469 469 GLY N N 469 112.643 112.643 105.868 6.775 19771 1920 1 8 . 1 1 469 469 GLY CA C 469 45.398 45.398 45.832 -0.434 19771 1921 1 8 . 1 1 469 469 GLY H H 469 8.893 8.893 8.119 0.774 19771 1922 1 8 . 1 1 470 470 LEU N N 470 118.167 118.167 118.168 -0.001 19771 1923 1 8 . 1 1 470 470 LEU HA H 470 3.862 3.862 4.445 -0.583 19771 1924 1 8 . 1 1 470 470 LEU CA C 470 54.284 54.284 53.273 1.011 19771 1925 1 8 . 1 1 470 470 LEU CB C 470 42.923 42.923 41.804 1.119 19771 1926 1 8 . 1 1 470 470 LEU H H 470 7.642 7.642 7.244 0.398 19771 1927 1 8 . 1 1 471 471 ARG N N 471 115.958 115.958 118.720 -2.762 19771 1928 1 8 . 1 1 471 471 ARG HA H 471 4.328 4.328 4.067 0.261 19771 1929 1 8 . 1 1 471 471 ARG CA C 471 58.357 58.357 57.550 0.807 19771 1930 1 8 . 1 1 471 471 ARG CB C 471 30.183 30.183 29.745 0.438 19771 1931 1 8 . 1 1 471 471 ARG H H 471 7.256 7.256 7.726 -0.470 19771 1932 1 8 . 1 1 472 472 HIS N N 472 113.710 113.710 113.212 0.498 19771 1933 1 8 . 1 1 472 472 HIS HA H 472 4.635 4.635 4.602 0.033 19771 1934 1 8 . 1 1 472 472 HIS CA C 472 56.199 56.199 55.753 0.446 19771 1935 1 8 . 1 1 472 472 HIS CB C 472 30.157 30.157 29.614 0.542 19771 1936 1 8 . 1 1 472 472 HIS H H 472 8.410 8.410 8.099 0.311 19771 1937 1 8 . 1 1 473 473 HIS N N 473 122.456 122.456 120.055 2.401 19771 1938 1 8 . 1 1 473 473 HIS HA H 473 4.418 4.418 4.341 0.077 19771 1939 1 8 . 1 1 473 473 HIS CA C 473 55.485 55.485 56.331 -0.846 19771 1940 1 8 . 1 1 473 473 HIS CB C 473 31.291 31.291 30.680 0.611 19771 1941 1 8 . 1 1 473 473 HIS H H 473 6.899 6.899 7.092 -0.193 19771 1942 1 8 . 1 1 474 474 SER N N 474 117.590 117.590 117.151 0.439 19771 1943 1 8 . 1 1 474 474 SER HA H 474 5.065 5.065 4.917 0.148 19771 1944 1 8 . 1 1 474 474 SER CA C 474 55.164 55.164 55.720 -0.556 19771 1945 1 8 . 1 1 474 474 SER CB C 474 64.749 64.749 65.040 -0.291 19771 1946 1 8 . 1 1 474 474 SER H H 474 8.600 8.600 8.652 -0.052 19771 1947 1 8 . 1 1 475 475 PRO HA H 475 4.258 4.258 4.938 -0.680 19771 1948 1 8 . 1 1 475 475 PRO CA C 475 62.975 62.975 62.189 0.786 19771 1949 1 8 . 1 1 475 475 PRO CB C 475 31.696 31.696 31.931 -0.235 19771 1950 1 8 . 1 1 476 476 LEU N N 476 123.672 123.672 123.190 0.482 19771 1951 1 8 . 1 1 476 476 LEU CB C 476 44.146 44.146 44.384 -0.238 19771 1952 1 8 . 1 1 476 476 LEU H H 476 8.843 8.843 8.346 0.497 19771 1953 1 8 . 1 1 477 477 MET N N 477 122.428 122.428 120.939 1.489 19771 1954 1 8 . 1 1 477 477 MET HA H 477 4.918 4.918 4.862 0.056 19771 1955 1 8 . 1 1 477 477 MET CA C 477 54.604 54.604 55.124 -0.520 19771 1956 1 8 . 1 1 477 477 MET CB C 477 34.225 34.225 33.377 0.848 19771 1957 1 8 . 1 1 477 477 MET H H 477 8.564 8.564 8.452 0.112 19771 1958 1 8 . 1 1 478 478 ARG N N 478 123.419 123.419 125.449 -2.030 19771 1959 1 8 . 1 1 478 478 ARG CB C 478 32.024 32.024 33.743 -1.719 19771 1960 1 8 . 1 1 478 478 ARG H H 478 8.825 8.825 8.227 0.598 19771 1961 1 8 . 1 1 481 481 LYS N N 481 122.000 122.000 120.238 1.762 19771 1962 1 8 . 1 1 481 481 LYS H H 481 8.284 8.284 8.092 0.192 19771 1963 1 8 . 1 1 482 482 ASN N N 482 119.466 119.466 118.635 0.831 19771 1964 1 8 . 1 1 482 482 ASN H H 482 8.379 8.379 8.489 -0.110 19771 1965 1 8 . 1 1 483 483 ARG N N 483 121.400 121.400 119.833 1.567 19771 1966 1 8 . 1 1 483 483 ARG H H 483 8.302 8.302 8.815 -0.513 19771 1967 1 8 . 1 1 485 485 SER N N 485 115.800 115.800 116.589 -0.789 19771 1968 1 8 . 1 1 485 485 SER H H 485 8.112 8.112 8.492 -0.380 19771 1969 1 9 . 1 1 427 427 ASP N N 427 125.779 125.779 122.497 3.282 19771 1970 1 9 . 1 1 427 427 ASP HA H 427 4.829 4.829 4.925 -0.096 19771 1971 1 9 . 1 1 427 427 ASP CA C 427 52.150 52.150 52.396 -0.246 19771 1972 1 9 . 1 1 427 427 ASP CB C 427 41.537 41.537 44.361 -2.824 19771 1973 1 9 . 1 1 427 427 ASP H H 427 8.293 8.293 8.522 -0.229 19771 1974 1 9 . 1 1 428 428 PRO HA H 428 4.229 4.229 4.593 -0.364 19771 1975 1 9 . 1 1 428 428 PRO CA C 428 63.337 63.337 64.217 -0.880 19771 1976 1 9 . 1 1 428 428 PRO CB C 428 32.019 32.019 32.010 0.009 19771 1977 1 9 . 1 1 429 429 TYR N N 429 119.152 119.152 118.217 0.935 19771 1978 1 9 . 1 1 429 429 TYR HA H 429 4.421 4.421 4.670 -0.249 19771 1979 1 9 . 1 1 429 429 TYR CA C 429 57.961 57.961 58.581 -0.620 19771 1980 1 9 . 1 1 429 429 TYR CB C 429 37.968 37.968 40.253 -2.285 19771 1981 1 9 . 1 1 429 429 TYR H H 429 8.136 8.136 8.668 -0.532 19771 1982 1 9 . 1 1 430 430 LEU N N 430 122.733 122.733 118.877 3.856 19771 1983 1 9 . 1 1 430 430 LEU HA H 430 4.205 4.205 4.473 -0.268 19771 1984 1 9 . 1 1 430 430 LEU CA C 430 54.950 54.950 54.987 -0.037 19771 1985 1 9 . 1 1 430 430 LEU CB C 430 42.474 42.474 44.409 -1.935 19771 1986 1 9 . 1 1 430 430 LEU H H 430 7.596 7.596 7.624 -0.028 19771 1987 1 9 . 1 1 431 431 GLU N N 431 120.614 120.614 119.485 1.129 19771 1988 1 9 . 1 1 431 431 GLU H H 431 8.157 8.157 7.832 0.325 19771 1989 1 9 . 1 1 432 432 ASP HA H 432 4.387 4.387 4.972 -0.585 19771 1990 1 9 . 1 1 432 432 ASP CA C 432 54.365 54.365 53.728 0.637 19771 1991 1 9 . 1 1 432 432 ASP CB C 432 41.027 41.027 43.127 -2.100 19771 1992 1 9 . 1 1 433 433 SER N N 433 116.511 116.511 115.893 0.618 19771 1993 1 9 . 1 1 433 433 SER HA H 433 4.222 4.222 4.018 0.204 19771 1994 1 9 . 1 1 433 433 SER CA C 433 57.811 57.811 57.686 0.125 19771 1995 1 9 . 1 1 433 433 SER CB C 433 64.342 64.342 64.475 -0.133 19771 1996 1 9 . 1 1 433 433 SER H H 433 7.926 7.926 8.332 -0.406 19771 1997 1 9 . 1 1 434 434 LEU N N 434 124.239 124.239 123.937 0.302 19771 1998 1 9 . 1 1 434 434 LEU HA H 434 4.301 4.301 4.083 0.218 19771 1999 1 9 . 1 1 434 434 LEU CA C 434 54.780 54.780 55.159 -0.379 19771 2000 1 9 . 1 1 434 434 LEU CB C 434 43.682 43.682 43.152 0.530 19771 2001 1 9 . 1 1 434 434 LEU H H 434 8.161 8.161 7.757 0.404 19771 2002 1 9 . 1 1 435 435 CYS N N 435 121.658 121.658 124.349 -2.691 19771 2003 1 9 . 1 1 435 435 CYS HA H 435 3.767 3.767 4.171 -0.404 19771 2004 1 9 . 1 1 435 435 CYS CA C 435 60.505 60.505 59.549 0.956 19771 2005 1 9 . 1 1 435 435 CYS CB C 435 31.833 31.833 27.729 4.104 19771 2006 1 9 . 1 1 435 435 CYS H H 435 8.341 8.341 7.891 0.450 19771 2007 1 9 . 1 1 436 436 HIS N N 436 129.654 129.654 126.959 2.695 19771 2008 1 9 . 1 1 436 436 HIS HA H 436 4.436 4.436 4.657 -0.221 19771 2009 1 9 . 1 1 436 436 HIS CA C 436 58.775 58.775 56.439 2.336 19771 2010 1 9 . 1 1 436 436 HIS CB C 436 32.431 32.431 30.297 2.134 19771 2011 1 9 . 1 1 436 436 HIS H H 436 9.087 9.087 8.333 0.754 19771 2012 1 9 . 1 1 437 437 ILE N N 437 121.647 121.647 118.994 2.653 19771 2013 1 9 . 1 1 437 437 ILE HA H 437 4.122 4.122 4.325 -0.203 19771 2014 1 9 . 1 1 437 437 ILE CA C 437 61.632 61.632 61.641 -0.009 19771 2015 1 9 . 1 1 437 437 ILE CB C 437 35.149 35.149 39.319 -4.170 19771 2016 1 9 . 1 1 437 437 ILE H H 437 9.294 9.294 7.876 1.418 19771 2017 1 9 . 1 1 438 438 CYS N N 438 118.756 118.756 113.556 5.200 19771 2018 1 9 . 1 1 438 438 CYS HA H 438 4.719 4.719 4.929 -0.210 19771 2019 1 9 . 1 1 438 438 CYS CB C 438 31.931 31.931 29.766 2.165 19771 2020 1 9 . 1 1 438 438 CYS H H 438 8.503 8.503 7.889 0.614 19771 2021 1 9 . 1 1 439 439 SER N N 439 116.341 116.341 115.413 0.928 19771 2022 1 9 . 1 1 439 439 SER HA H 439 4.348 4.348 4.115 0.233 19771 2023 1 9 . 1 1 439 439 SER CA C 439 60.131 60.131 59.477 0.654 19771 2024 1 9 . 1 1 439 439 SER CB C 439 62.642 62.642 61.612 1.030 19771 2025 1 9 . 1 1 439 439 SER H H 439 7.561 7.561 8.172 -0.611 19771 2026 1 9 . 1 1 440 440 SER N N 440 113.455 113.455 114.927 -1.472 19771 2027 1 9 . 1 1 440 440 SER HA H 440 4.777 4.777 4.272 0.505 19771 2028 1 9 . 1 1 440 440 SER CA C 440 58.703 58.703 59.687 -0.984 19771 2029 1 9 . 1 1 440 440 SER CB C 440 65.681 65.681 63.739 1.942 19771 2030 1 9 . 1 1 440 440 SER H H 440 8.272 8.272 8.305 -0.033 19771 2031 1 9 . 1 1 441 441 GLN N N 441 118.674 118.674 117.214 1.460 19771 2032 1 9 . 1 1 441 441 GLN HA H 441 4.865 4.865 4.722 0.143 19771 2033 1 9 . 1 1 441 441 GLN CA C 441 52.802 52.802 52.817 -0.015 19771 2034 1 9 . 1 1 441 441 GLN CB C 441 30.560 30.560 29.324 1.236 19771 2035 1 9 . 1 1 441 441 GLN H H 441 7.355 7.355 7.566 -0.211 19771 2036 1 9 . 1 1 442 442 PRO HA H 442 4.349 4.349 4.290 0.059 19771 2037 1 9 . 1 1 442 442 PRO CA C 442 63.693 63.693 63.047 0.646 19771 2038 1 9 . 1 1 442 442 PRO CB C 442 32.549 32.549 30.375 2.174 19771 2039 1 9 . 1 1 443 443 GLY N N 443 110.126 110.126 108.681 1.445 19771 2040 1 9 . 1 1 443 443 GLY CA C 443 46.097 46.097 44.649 1.448 19771 2041 1 9 . 1 1 443 443 GLY H H 443 8.819 8.819 8.140 0.679 19771 2042 1 9 . 1 1 444 444 PRO HA H 444 4.387 4.387 4.165 0.222 19771 2043 1 9 . 1 1 444 444 PRO CA C 444 63.025 63.025 63.548 -0.523 19771 2044 1 9 . 1 1 444 444 PRO CB C 444 32.737 32.737 31.704 1.033 19771 2045 1 9 . 1 1 445 445 PHE N N 445 116.262 116.262 115.801 0.461 19771 2046 1 9 . 1 1 445 445 PHE HA H 445 4.962 4.962 5.351 -0.389 19771 2047 1 9 . 1 1 445 445 PHE CA C 445 56.014 56.014 56.219 -0.205 19771 2048 1 9 . 1 1 445 445 PHE CB C 445 40.028 40.028 42.731 -2.703 19771 2049 1 9 . 1 1 445 445 PHE H H 445 8.066 8.066 7.761 0.305 19771 2050 1 9 . 1 1 446 446 PHE N N 446 126.081 126.081 121.058 5.023 19771 2051 1 9 . 1 1 446 446 PHE HA H 446 5.050 5.050 5.534 -0.484 19771 2052 1 9 . 1 1 446 446 PHE CA C 446 56.775 56.775 56.604 0.171 19771 2053 1 9 . 1 1 446 446 PHE CB C 446 41.731 41.731 43.557 -1.826 19771 2054 1 9 . 1 1 446 446 PHE H H 446 9.446 9.446 8.609 0.837 19771 2055 1 9 . 1 1 447 447 CYS N N 447 128.746 128.746 124.383 4.363 19771 2056 1 9 . 1 1 447 447 CYS HA H 447 4.874 4.874 4.883 -0.009 19771 2057 1 9 . 1 1 447 447 CYS CA C 447 58.263 58.263 57.026 1.237 19771 2058 1 9 . 1 1 447 447 CYS CB C 447 30.994 30.994 30.249 0.745 19771 2059 1 9 . 1 1 447 447 CYS H H 447 7.729 7.729 7.560 0.169 19771 2060 1 9 . 1 1 448 448 ARG N N 448 125.530 125.530 128.257 -2.727 19771 2061 1 9 . 1 1 448 448 ARG HA H 448 4.080 4.080 4.847 -0.767 19771 2062 1 9 . 1 1 448 448 ARG CA C 448 55.854 55.854 55.341 0.513 19771 2063 1 9 . 1 1 448 448 ARG CB C 448 31.200 31.200 30.957 0.243 19771 2064 1 9 . 1 1 448 448 ARG H H 448 8.783 8.783 8.682 0.101 19771 2065 1 9 . 1 1 449 449 ASP N N 449 123.969 123.969 123.237 0.732 19771 2066 1 9 . 1 1 449 449 ASP HA H 449 4.155 4.155 4.792 -0.637 19771 2067 1 9 . 1 1 449 449 ASP CA C 449 56.118 56.118 52.628 3.490 19771 2068 1 9 . 1 1 449 449 ASP CB C 449 43.634 43.634 44.172 -0.538 19771 2069 1 9 . 1 1 449 449 ASP H H 449 8.117 8.117 8.524 -0.407 19771 2070 1 9 . 1 1 450 450 GLN N N 450 125.410 125.410 119.888 5.522 19771 2071 1 9 . 1 1 450 450 GLN HA H 450 3.832 3.832 4.214 -0.382 19771 2072 1 9 . 1 1 450 450 GLN CA C 450 59.127 59.127 58.327 0.800 19771 2073 1 9 . 1 1 450 450 GLN CB C 450 28.699 28.699 29.033 -0.334 19771 2074 1 9 . 1 1 450 450 GLN H H 450 8.670 8.670 8.918 -0.248 19771 2075 1 9 . 1 1 451 451 VAL N N 451 113.164 113.164 110.119 3.045 19771 2076 1 9 . 1 1 451 451 VAL HA H 451 4.240 4.240 4.417 -0.177 19771 2077 1 9 . 1 1 451 451 VAL CA C 451 63.199 63.199 62.141 1.058 19771 2078 1 9 . 1 1 451 451 VAL CB C 451 31.439 31.439 33.801 -2.362 19771 2079 1 9 . 1 1 451 451 VAL H H 451 8.591 8.591 7.670 0.921 19771 2080 1 9 . 1 1 452 452 CYS N N 452 120.986 120.986 120.746 0.240 19771 2081 1 9 . 1 1 452 452 CYS HA H 452 4.502 4.502 5.068 -0.566 19771 2082 1 9 . 1 1 452 452 CYS CA C 452 60.474 60.474 58.954 1.520 19771 2083 1 9 . 1 1 452 452 CYS CB C 452 31.715 31.715 28.573 3.142 19771 2084 1 9 . 1 1 452 452 CYS H H 452 7.963 7.963 7.760 0.203 19771 2085 1 9 . 1 1 453 453 PHE N N 453 129.406 129.406 119.089 10.317 19771 2086 1 9 . 1 1 453 453 PHE HA H 453 4.121 4.121 5.027 -0.906 19771 2087 1 9 . 1 1 453 453 PHE CA C 453 59.700 59.700 56.785 2.914 19771 2088 1 9 . 1 1 453 453 PHE CB C 453 38.328 38.328 38.877 -0.549 19771 2089 1 9 . 1 1 453 453 PHE H H 453 7.880 7.880 8.552 -0.672 19771 2090 1 9 . 1 1 454 454 LYS N N 454 113.628 113.628 118.917 -5.289 19771 2091 1 9 . 1 1 454 454 LYS HA H 454 4.423 4.423 4.731 -0.308 19771 2092 1 9 . 1 1 454 454 LYS CA C 454 54.050 54.050 54.052 -0.002 19771 2093 1 9 . 1 1 454 454 LYS CB C 454 37.833 37.833 36.620 1.214 19771 2094 1 9 . 1 1 454 454 LYS H H 454 6.384 6.384 7.339 -0.955 19771 2095 1 9 . 1 1 455 455 TYR N N 455 117.756 117.756 117.379 0.377 19771 2096 1 9 . 1 1 455 455 TYR HA H 455 5.111 5.111 4.921 0.190 19771 2097 1 9 . 1 1 455 455 TYR CA C 455 58.616 58.616 59.090 -0.474 19771 2098 1 9 . 1 1 455 455 TYR CB C 455 39.956 39.956 39.468 0.488 19771 2099 1 9 . 1 1 455 455 TYR H H 455 7.100 7.100 7.942 -0.842 19771 2100 1 9 . 1 1 456 456 PHE N N 456 117.529 117.529 117.519 0.010 19771 2101 1 9 . 1 1 456 456 PHE HA H 456 6.342 6.342 5.120 1.222 19771 2102 1 9 . 1 1 456 456 PHE CA C 456 57.017 57.017 56.665 0.352 19771 2103 1 9 . 1 1 456 456 PHE CB C 456 45.138 45.138 44.275 0.863 19771 2104 1 9 . 1 1 456 456 PHE H H 456 9.527 9.527 9.073 0.454 19771 2105 1 9 . 1 1 457 457 CYS N N 457 119.575 119.575 115.865 3.710 19771 2106 1 9 . 1 1 457 457 CYS HA H 457 5.435 5.435 5.218 0.217 19771 2107 1 9 . 1 1 457 457 CYS CA C 457 58.044 58.044 56.244 1.800 19771 2108 1 9 . 1 1 457 457 CYS CB C 457 32.277 32.277 31.296 0.981 19771 2109 1 9 . 1 1 457 457 CYS H H 457 9.710 9.710 8.938 0.772 19771 2110 1 9 . 1 1 458 458 ARG N N 458 120.479 120.479 121.641 -1.162 19771 2111 1 9 . 1 1 458 458 ARG HA H 458 3.750 3.750 3.843 -0.093 19771 2112 1 9 . 1 1 458 458 ARG CA C 458 60.863 60.863 59.047 1.816 19771 2113 1 9 . 1 1 458 458 ARG CB C 458 30.407 30.407 29.903 0.504 19771 2114 1 9 . 1 1 458 458 ARG H H 458 9.300 9.300 9.070 0.230 19771 2115 1 9 . 1 1 459 459 SER N N 459 114.502 114.502 113.055 1.447 19771 2116 1 9 . 1 1 459 459 SER HA H 459 4.424 4.424 4.120 0.304 19771 2117 1 9 . 1 1 459 459 SER CA C 459 62.116 62.116 60.987 1.129 19771 2118 1 9 . 1 1 459 459 SER CB C 459 62.828 62.828 62.829 -0.001 19771 2119 1 9 . 1 1 459 459 SER H H 459 8.482 8.482 8.220 0.262 19771 2120 1 9 . 1 1 460 460 CYS N N 460 126.957 126.957 117.961 8.996 19771 2121 1 9 . 1 1 460 460 CYS HA H 460 4.402 4.402 3.935 0.467 19771 2122 1 9 . 1 1 460 460 CYS CA C 460 65.041 65.041 58.014 7.027 19771 2123 1 9 . 1 1 460 460 CYS CB C 460 30.694 30.694 26.321 4.373 19771 2124 1 9 . 1 1 460 460 CYS H H 460 9.474 9.474 7.461 2.013 19771 2125 1 9 . 1 1 461 461 TRP N N 461 121.032 121.032 123.831 -2.799 19771 2126 1 9 . 1 1 461 461 TRP HA H 461 3.259 3.259 3.993 -0.734 19771 2127 1 9 . 1 1 461 461 TRP CA C 461 62.794 62.794 60.838 1.956 19771 2128 1 9 . 1 1 461 461 TRP CB C 461 27.672 27.672 28.877 -1.205 19771 2129 1 9 . 1 1 461 461 TRP H H 461 9.553 9.553 8.509 1.044 19771 2130 1 9 . 1 1 462 462 HIS N N 462 119.358 119.358 115.410 3.948 19771 2131 1 9 . 1 1 462 462 HIS HA H 462 4.280 4.280 4.479 -0.199 19771 2132 1 9 . 1 1 462 462 HIS CA C 462 59.828 59.828 59.284 0.544 19771 2133 1 9 . 1 1 462 462 HIS CB C 462 30.330 30.330 29.448 0.882 19771 2134 1 9 . 1 1 462 462 HIS H H 462 8.007 8.007 7.403 0.604 19771 2135 1 9 . 1 1 463 463 TRP N N 463 121.005 121.005 119.217 1.788 19771 2136 1 9 . 1 1 463 463 TRP HA H 463 4.179 4.179 4.555 -0.376 19771 2137 1 9 . 1 1 463 463 TRP CA C 463 60.915 60.915 59.325 1.590 19771 2138 1 9 . 1 1 463 463 TRP CB C 463 28.556 28.556 28.482 0.074 19771 2139 1 9 . 1 1 463 463 TRP H H 463 8.146 8.146 7.567 0.579 19771 2140 1 9 . 1 1 464 464 ARG N N 464 117.937 117.937 117.258 0.679 19771 2141 1 9 . 1 1 464 464 ARG HA H 464 3.160 3.160 4.137 -0.977 19771 2142 1 9 . 1 1 464 464 ARG CA C 464 57.153 57.153 56.190 0.963 19771 2143 1 9 . 1 1 464 464 ARG CB C 464 29.998 29.998 30.173 -0.175 19771 2144 1 9 . 1 1 464 464 ARG H H 464 8.136 8.136 7.138 0.998 19771 2145 1 9 . 1 1 465 465 HIS N N 465 109.139 109.139 115.371 -6.232 19771 2146 1 9 . 1 1 465 465 HIS HA H 465 3.729 3.729 4.511 -0.782 19771 2147 1 9 . 1 1 465 465 HIS CA C 465 58.797 58.797 55.596 3.201 19771 2148 1 9 . 1 1 465 465 HIS CB C 465 25.377 25.377 30.485 -5.108 19771 2149 1 9 . 1 1 465 465 HIS H H 465 7.359 7.359 7.696 -0.337 19771 2150 1 9 . 1 1 466 466 SER N N 466 112.123 112.123 115.685 -3.562 19771 2151 1 9 . 1 1 466 466 SER HA H 466 4.273 4.273 4.280 -0.007 19771 2152 1 9 . 1 1 466 466 SER CA C 466 58.999 58.999 59.475 -0.476 19771 2153 1 9 . 1 1 466 466 SER CB C 466 63.431 63.431 63.496 -0.065 19771 2154 1 9 . 1 1 466 466 SER H H 466 6.897 6.897 7.924 -1.027 19771 2155 1 9 . 1 1 467 467 MET N N 467 121.282 121.282 118.463 2.819 19771 2156 1 9 . 1 1 467 467 MET HA H 467 4.133 4.133 4.602 -0.469 19771 2157 1 9 . 1 1 467 467 MET CA C 467 55.435 55.435 56.064 -0.629 19771 2158 1 9 . 1 1 467 467 MET CB C 467 33.206 33.206 33.691 -0.485 19771 2159 1 9 . 1 1 467 467 MET H H 467 6.766 6.766 7.395 -0.629 19771 2160 1 9 . 1 1 468 468 GLU N N 468 122.864 122.864 121.200 1.664 19771 2161 1 9 . 1 1 468 468 GLU HA H 468 3.754 3.754 4.210 -0.456 19771 2162 1 9 . 1 1 468 468 GLU CA C 468 58.708 58.708 58.000 0.708 19771 2163 1 9 . 1 1 468 468 GLU CB C 468 29.457 29.457 29.195 0.262 19771 2164 1 9 . 1 1 468 468 GLU H H 468 8.455 8.455 8.874 -0.419 19771 2165 1 9 . 1 1 469 469 GLY N N 469 112.643 112.643 106.738 5.905 19771 2166 1 9 . 1 1 469 469 GLY CA C 469 45.398 45.398 46.038 -0.640 19771 2167 1 9 . 1 1 469 469 GLY H H 469 8.893 8.893 8.303 0.589 19771 2168 1 9 . 1 1 470 470 LEU N N 470 118.167 118.167 119.494 -1.327 19771 2169 1 9 . 1 1 470 470 LEU HA H 470 3.862 3.862 4.494 -0.632 19771 2170 1 9 . 1 1 470 470 LEU CA C 470 54.284 54.284 53.000 1.284 19771 2171 1 9 . 1 1 470 470 LEU CB C 470 42.923 42.923 41.455 1.468 19771 2172 1 9 . 1 1 470 470 LEU H H 470 7.642 7.642 7.214 0.428 19771 2173 1 9 . 1 1 471 471 ARG N N 471 115.958 115.958 118.850 -2.892 19771 2174 1 9 . 1 1 471 471 ARG HA H 471 4.328 4.328 4.046 0.282 19771 2175 1 9 . 1 1 471 471 ARG CA C 471 58.357 58.357 58.011 0.346 19771 2176 1 9 . 1 1 471 471 ARG CB C 471 30.183 30.183 29.945 0.238 19771 2177 1 9 . 1 1 471 471 ARG H H 471 7.256 7.256 7.568 -0.312 19771 2178 1 9 . 1 1 472 472 HIS N N 472 113.710 113.710 112.879 0.831 19771 2179 1 9 . 1 1 472 472 HIS HA H 472 4.635 4.635 4.688 -0.053 19771 2180 1 9 . 1 1 472 472 HIS CA C 472 56.199 56.199 55.190 1.009 19771 2181 1 9 . 1 1 472 472 HIS CB C 472 30.157 30.157 29.559 0.598 19771 2182 1 9 . 1 1 472 472 HIS H H 472 8.410 8.410 8.021 0.389 19771 2183 1 9 . 1 1 473 473 HIS N N 473 122.456 122.456 120.945 1.511 19771 2184 1 9 . 1 1 473 473 HIS HA H 473 4.418 4.418 4.371 0.047 19771 2185 1 9 . 1 1 473 473 HIS CA C 473 55.485 55.485 56.170 -0.685 19771 2186 1 9 . 1 1 473 473 HIS CB C 473 31.291 31.291 30.334 0.957 19771 2187 1 9 . 1 1 473 473 HIS H H 473 6.899 6.899 7.157 -0.258 19771 2188 1 9 . 1 1 474 474 SER N N 474 117.590 117.590 116.655 0.935 19771 2189 1 9 . 1 1 474 474 SER HA H 474 5.065 5.065 4.952 0.113 19771 2190 1 9 . 1 1 474 474 SER CA C 474 55.164 55.164 56.545 -1.381 19771 2191 1 9 . 1 1 474 474 SER CB C 474 64.749 64.749 65.930 -1.181 19771 2192 1 9 . 1 1 474 474 SER H H 474 8.600 8.600 8.393 0.207 19771 2193 1 9 . 1 1 475 475 PRO HA H 475 4.258 4.258 4.384 -0.126 19771 2194 1 9 . 1 1 475 475 PRO CA C 475 62.975 62.975 62.513 0.462 19771 2195 1 9 . 1 1 475 475 PRO CB C 475 31.696 31.696 32.030 -0.334 19771 2196 1 9 . 1 1 476 476 LEU N N 476 123.672 123.672 121.793 1.879 19771 2197 1 9 . 1 1 476 476 LEU CB C 476 44.146 44.146 45.957 -1.811 19771 2198 1 9 . 1 1 476 476 LEU H H 476 8.843 8.843 8.242 0.601 19771 2199 1 9 . 1 1 477 477 MET N N 477 122.428 122.428 118.087 4.341 19771 2200 1 9 . 1 1 477 477 MET HA H 477 4.918 4.918 4.806 0.112 19771 2201 1 9 . 1 1 477 477 MET CA C 477 54.604 54.604 55.188 -0.584 19771 2202 1 9 . 1 1 477 477 MET CB C 477 34.225 34.225 35.954 -1.729 19771 2203 1 9 . 1 1 477 477 MET H H 477 8.564 8.564 8.485 0.079 19771 2204 1 9 . 1 1 478 478 ARG N N 478 123.419 123.419 119.881 3.538 19771 2205 1 9 . 1 1 478 478 ARG CB C 478 32.024 32.024 30.619 1.405 19771 2206 1 9 . 1 1 478 478 ARG H H 478 8.825 8.825 8.672 0.153 19771 2207 1 9 . 1 1 481 481 LYS N N 481 122.000 122.000 120.827 1.173 19771 2208 1 9 . 1 1 481 481 LYS H H 481 8.284 8.284 8.405 -0.121 19771 2209 1 9 . 1 1 482 482 ASN N N 482 119.466 119.466 119.862 -0.396 19771 2210 1 9 . 1 1 482 482 ASN H H 482 8.379 8.379 8.602 -0.223 19771 2211 1 9 . 1 1 483 483 ARG N N 483 121.400 121.400 120.588 0.812 19771 2212 1 9 . 1 1 483 483 ARG H H 483 8.302 8.302 8.522 -0.220 19771 2213 1 9 . 1 1 485 485 SER N N 485 115.800 115.800 116.699 -0.899 19771 2214 1 9 . 1 1 485 485 SER H H 485 8.112 8.112 8.466 -0.354 19771 2215 1 10 . 1 1 427 427 ASP N N 427 125.779 125.779 123.584 2.195 19771 2216 1 10 . 1 1 427 427 ASP HA H 427 4.829 4.829 4.915 -0.086 19771 2217 1 10 . 1 1 427 427 ASP CA C 427 52.150 52.150 52.972 -0.822 19771 2218 1 10 . 1 1 427 427 ASP CB C 427 41.537 41.537 43.416 -1.879 19771 2219 1 10 . 1 1 427 427 ASP H H 427 8.293 8.293 8.409 -0.116 19771 2220 1 10 . 1 1 428 428 PRO HA H 428 4.229 4.229 4.350 -0.121 19771 2221 1 10 . 1 1 428 428 PRO CA C 428 63.337 63.337 63.172 0.165 19771 2222 1 10 . 1 1 428 428 PRO CB C 428 32.019 32.019 31.756 0.263 19771 2223 1 10 . 1 1 429 429 TYR N N 429 119.152 119.152 119.892 -0.740 19771 2224 1 10 . 1 1 429 429 TYR HA H 429 4.421 4.421 4.514 -0.093 19771 2225 1 10 . 1 1 429 429 TYR CA C 429 57.961 57.961 58.134 -0.173 19771 2226 1 10 . 1 1 429 429 TYR CB C 429 37.968 37.968 39.299 -1.331 19771 2227 1 10 . 1 1 429 429 TYR H H 429 8.136 8.136 7.284 0.852 19771 2228 1 10 . 1 1 430 430 LEU N N 430 122.733 122.733 120.464 2.269 19771 2229 1 10 . 1 1 430 430 LEU HA H 430 4.205 4.205 4.596 -0.391 19771 2230 1 10 . 1 1 430 430 LEU CA C 430 54.950 54.950 54.988 -0.038 19771 2231 1 10 . 1 1 430 430 LEU CB C 430 42.474 42.474 44.938 -2.464 19771 2232 1 10 . 1 1 430 430 LEU H H 430 7.596 7.596 8.284 -0.688 19771 2233 1 10 . 1 1 431 431 GLU N N 431 120.614 120.614 120.642 -0.028 19771 2234 1 10 . 1 1 431 431 GLU H H 431 8.157 8.157 8.567 -0.410 19771 2235 1 10 . 1 1 432 432 ASP HA H 432 4.387 4.387 4.540 -0.153 19771 2236 1 10 . 1 1 432 432 ASP CA C 432 54.365 54.365 55.675 -1.310 19771 2237 1 10 . 1 1 432 432 ASP CB C 432 41.027 41.027 40.914 0.112 19771 2238 1 10 . 1 1 433 433 SER N N 433 116.511 116.511 111.864 4.647 19771 2239 1 10 . 1 1 433 433 SER HA H 433 4.222 4.222 3.868 0.354 19771 2240 1 10 . 1 1 433 433 SER CA C 433 57.811 57.811 58.051 -0.240 19771 2241 1 10 . 1 1 433 433 SER CB C 433 64.342 64.342 63.041 1.300 19771 2242 1 10 . 1 1 433 433 SER H H 433 7.926 7.926 7.910 0.016 19771 2243 1 10 . 1 1 434 434 LEU N N 434 124.239 124.239 122.619 1.620 19771 2244 1 10 . 1 1 434 434 LEU HA H 434 4.301 4.301 4.184 0.117 19771 2245 1 10 . 1 1 434 434 LEU CA C 434 54.780 54.780 55.193 -0.413 19771 2246 1 10 . 1 1 434 434 LEU CB C 434 43.682 43.682 43.260 0.423 19771 2247 1 10 . 1 1 434 434 LEU H H 434 8.161 8.161 7.020 1.141 19771 2248 1 10 . 1 1 435 435 CYS N N 435 121.658 121.658 124.525 -2.867 19771 2249 1 10 . 1 1 435 435 CYS HA H 435 3.767 3.767 4.448 -0.681 19771 2250 1 10 . 1 1 435 435 CYS CA C 435 60.505 60.505 59.360 1.145 19771 2251 1 10 . 1 1 435 435 CYS CB C 435 31.833 31.833 27.544 4.289 19771 2252 1 10 . 1 1 435 435 CYS H H 435 8.341 8.341 8.036 0.305 19771 2253 1 10 . 1 1 436 436 HIS N N 436 129.654 129.654 126.005 3.649 19771 2254 1 10 . 1 1 436 436 HIS HA H 436 4.436 4.436 4.698 -0.262 19771 2255 1 10 . 1 1 436 436 HIS CA C 436 58.775 58.775 57.157 1.618 19771 2256 1 10 . 1 1 436 436 HIS CB C 436 32.431 32.431 30.480 1.951 19771 2257 1 10 . 1 1 436 436 HIS H H 436 9.087 9.087 8.452 0.635 19771 2258 1 10 . 1 1 437 437 ILE N N 437 121.647 121.647 117.188 4.459 19771 2259 1 10 . 1 1 437 437 ILE HA H 437 4.122 4.122 4.437 -0.315 19771 2260 1 10 . 1 1 437 437 ILE CA C 437 61.632 61.632 61.646 -0.014 19771 2261 1 10 . 1 1 437 437 ILE CB C 437 35.149 35.149 39.547 -4.398 19771 2262 1 10 . 1 1 437 437 ILE H H 437 9.294 9.294 7.807 1.487 19771 2263 1 10 . 1 1 438 438 CYS N N 438 118.756 118.756 113.631 5.125 19771 2264 1 10 . 1 1 438 438 CYS HA H 438 4.719 4.719 4.991 -0.272 19771 2265 1 10 . 1 1 438 438 CYS CB C 438 31.931 31.931 30.041 1.890 19771 2266 1 10 . 1 1 438 438 CYS H H 438 8.503 8.503 7.855 0.648 19771 2267 1 10 . 1 1 439 439 SER N N 439 116.341 116.341 115.924 0.417 19771 2268 1 10 . 1 1 439 439 SER HA H 439 4.348 4.348 4.148 0.200 19771 2269 1 10 . 1 1 439 439 SER CA C 439 60.131 60.131 59.693 0.438 19771 2270 1 10 . 1 1 439 439 SER CB C 439 62.642 62.642 61.265 1.377 19771 2271 1 10 . 1 1 439 439 SER H H 439 7.561 7.561 8.241 -0.680 19771 2272 1 10 . 1 1 440 440 SER N N 440 113.455 113.455 114.870 -1.415 19771 2273 1 10 . 1 1 440 440 SER HA H 440 4.777 4.777 4.251 0.526 19771 2274 1 10 . 1 1 440 440 SER CA C 440 58.703 58.703 59.773 -1.070 19771 2275 1 10 . 1 1 440 440 SER CB C 440 65.681 65.681 63.565 2.116 19771 2276 1 10 . 1 1 440 440 SER H H 440 8.272 8.272 8.416 -0.144 19771 2277 1 10 . 1 1 441 441 GLN N N 441 118.674 118.674 116.950 1.724 19771 2278 1 10 . 1 1 441 441 GLN HA H 441 4.865 4.865 4.689 0.176 19771 2279 1 10 . 1 1 441 441 GLN CA C 441 52.802 52.802 52.968 -0.166 19771 2280 1 10 . 1 1 441 441 GLN CB C 441 30.560 30.560 28.984 1.576 19771 2281 1 10 . 1 1 441 441 GLN H H 441 7.355 7.355 7.417 -0.062 19771 2282 1 10 . 1 1 442 442 PRO HA H 442 4.349 4.349 4.216 0.133 19771 2283 1 10 . 1 1 442 442 PRO CA C 442 63.693 63.693 63.536 0.157 19771 2284 1 10 . 1 1 442 442 PRO CB C 442 32.549 32.549 31.010 1.539 19771 2285 1 10 . 1 1 443 443 GLY N N 443 110.126 110.126 106.492 3.634 19771 2286 1 10 . 1 1 443 443 GLY CA C 443 46.097 46.097 44.594 1.503 19771 2287 1 10 . 1 1 443 443 GLY H H 443 8.819 8.819 7.868 0.951 19771 2288 1 10 . 1 1 444 444 PRO HA H 444 4.387 4.387 4.206 0.181 19771 2289 1 10 . 1 1 444 444 PRO CA C 444 63.025 63.025 63.553 -0.528 19771 2290 1 10 . 1 1 444 444 PRO CB C 444 32.737 32.737 31.524 1.213 19771 2291 1 10 . 1 1 445 445 PHE N N 445 116.262 116.262 116.562 -0.300 19771 2292 1 10 . 1 1 445 445 PHE HA H 445 4.962 4.962 5.251 -0.289 19771 2293 1 10 . 1 1 445 445 PHE CA C 445 56.014 56.014 55.973 0.041 19771 2294 1 10 . 1 1 445 445 PHE CB C 445 40.028 40.028 42.488 -2.460 19771 2295 1 10 . 1 1 445 445 PHE H H 445 8.066 8.066 7.842 0.224 19771 2296 1 10 . 1 1 446 446 PHE N N 446 126.081 126.081 120.692 5.389 19771 2297 1 10 . 1 1 446 446 PHE HA H 446 5.050 5.050 5.408 -0.358 19771 2298 1 10 . 1 1 446 446 PHE CA C 446 56.775 56.775 56.771 0.004 19771 2299 1 10 . 1 1 446 446 PHE CB C 446 41.731 41.731 43.102 -1.371 19771 2300 1 10 . 1 1 446 446 PHE H H 446 9.446 9.446 8.376 1.070 19771 2301 1 10 . 1 1 447 447 CYS N N 447 128.746 128.746 122.994 5.752 19771 2302 1 10 . 1 1 447 447 CYS HA H 447 4.874 4.874 5.057 -0.183 19771 2303 1 10 . 1 1 447 447 CYS CA C 447 58.263 58.263 56.925 1.338 19771 2304 1 10 . 1 1 447 447 CYS CB C 447 30.994 30.994 30.963 0.031 19771 2305 1 10 . 1 1 447 447 CYS H H 447 7.729 7.729 7.519 0.210 19771 2306 1 10 . 1 1 448 448 ARG N N 448 125.530 125.530 121.765 3.765 19771 2307 1 10 . 1 1 448 448 ARG HA H 448 4.080 4.080 4.685 -0.605 19771 2308 1 10 . 1 1 448 448 ARG CA C 448 55.854 55.854 55.756 0.098 19771 2309 1 10 . 1 1 448 448 ARG CB C 448 31.200 31.200 30.879 0.321 19771 2310 1 10 . 1 1 448 448 ARG H H 448 8.783 8.783 8.658 0.125 19771 2311 1 10 . 1 1 449 449 ASP N N 449 123.969 123.969 120.854 3.115 19771 2312 1 10 . 1 1 449 449 ASP HA H 449 4.155 4.155 4.709 -0.554 19771 2313 1 10 . 1 1 449 449 ASP CA C 449 56.118 56.118 53.875 2.243 19771 2314 1 10 . 1 1 449 449 ASP CB C 449 43.634 43.634 41.857 1.777 19771 2315 1 10 . 1 1 449 449 ASP H H 449 8.117 8.117 7.413 0.704 19771 2316 1 10 . 1 1 450 450 GLN N N 450 125.410 125.410 120.454 4.956 19771 2317 1 10 . 1 1 450 450 GLN HA H 450 3.832 3.832 4.075 -0.243 19771 2318 1 10 . 1 1 450 450 GLN CA C 450 59.127 59.127 58.270 0.857 19771 2319 1 10 . 1 1 450 450 GLN CB C 450 28.699 28.699 28.069 0.630 19771 2320 1 10 . 1 1 450 450 GLN H H 450 8.670 8.670 8.780 -0.110 19771 2321 1 10 . 1 1 451 451 VAL N N 451 113.164 113.164 113.286 -0.122 19771 2322 1 10 . 1 1 451 451 VAL HA H 451 4.240 4.240 4.273 -0.033 19771 2323 1 10 . 1 1 451 451 VAL CA C 451 63.199 63.199 61.462 1.737 19771 2324 1 10 . 1 1 451 451 VAL CB C 451 31.439 31.439 31.715 -0.276 19771 2325 1 10 . 1 1 451 451 VAL H H 451 8.591 8.591 7.786 0.805 19771 2326 1 10 . 1 1 452 452 CYS N N 452 120.986 120.986 115.522 5.464 19771 2327 1 10 . 1 1 452 452 CYS HA H 452 4.502 4.502 4.955 -0.453 19771 2328 1 10 . 1 1 452 452 CYS CA C 452 60.474 60.474 56.168 4.306 19771 2329 1 10 . 1 1 452 452 CYS CB C 452 31.715 31.715 27.294 4.421 19771 2330 1 10 . 1 1 452 452 CYS H H 452 7.963 7.963 7.424 0.539 19771 2331 1 10 . 1 1 453 453 PHE N N 453 129.406 129.406 124.026 5.380 19771 2332 1 10 . 1 1 453 453 PHE HA H 453 4.121 4.121 4.509 -0.388 19771 2333 1 10 . 1 1 453 453 PHE CA C 453 59.700 59.700 57.634 2.066 19771 2334 1 10 . 1 1 453 453 PHE CB C 453 38.328 38.328 36.943 1.385 19771 2335 1 10 . 1 1 453 453 PHE H H 453 7.880 7.880 8.594 -0.714 19771 2336 1 10 . 1 1 454 454 LYS N N 454 113.628 113.628 119.146 -5.518 19771 2337 1 10 . 1 1 454 454 LYS HA H 454 4.423 4.423 4.198 0.225 19771 2338 1 10 . 1 1 454 454 LYS CA C 454 54.050 54.050 53.513 0.537 19771 2339 1 10 . 1 1 454 454 LYS CB C 454 37.833 37.833 36.268 1.565 19771 2340 1 10 . 1 1 454 454 LYS H H 454 6.384 6.384 7.801 -1.417 19771 2341 1 10 . 1 1 455 455 TYR N N 455 117.756 117.756 117.395 0.361 19771 2342 1 10 . 1 1 455 455 TYR HA H 455 5.111 5.111 5.109 0.002 19771 2343 1 10 . 1 1 455 455 TYR CA C 455 58.616 58.616 59.005 -0.389 19771 2344 1 10 . 1 1 455 455 TYR CB C 455 39.956 39.956 39.839 0.117 19771 2345 1 10 . 1 1 455 455 TYR H H 455 7.100 7.100 7.780 -0.680 19771 2346 1 10 . 1 1 456 456 PHE N N 456 117.529 117.529 117.198 0.331 19771 2347 1 10 . 1 1 456 456 PHE HA H 456 6.342 6.342 5.142 1.200 19771 2348 1 10 . 1 1 456 456 PHE CA C 456 57.017 57.017 56.775 0.242 19771 2349 1 10 . 1 1 456 456 PHE CB C 456 45.138 45.138 44.231 0.907 19771 2350 1 10 . 1 1 456 456 PHE H H 456 9.527 9.527 9.082 0.445 19771 2351 1 10 . 1 1 457 457 CYS N N 457 119.575 119.575 115.554 4.021 19771 2352 1 10 . 1 1 457 457 CYS HA H 457 5.435 5.435 5.226 0.209 19771 2353 1 10 . 1 1 457 457 CYS CA C 457 58.044 58.044 56.285 1.759 19771 2354 1 10 . 1 1 457 457 CYS CB C 457 32.277 32.277 31.424 0.853 19771 2355 1 10 . 1 1 457 457 CYS H H 457 9.710 9.710 8.970 0.740 19771 2356 1 10 . 1 1 458 458 ARG N N 458 120.479 120.479 122.236 -1.757 19771 2357 1 10 . 1 1 458 458 ARG HA H 458 3.750 3.750 3.844 -0.094 19771 2358 1 10 . 1 1 458 458 ARG CA C 458 60.863 60.863 59.927 0.936 19771 2359 1 10 . 1 1 458 458 ARG CB C 458 30.407 30.407 30.002 0.405 19771 2360 1 10 . 1 1 458 458 ARG H H 458 9.300 9.300 9.120 0.180 19771 2361 1 10 . 1 1 459 459 SER N N 459 114.502 114.502 113.445 1.057 19771 2362 1 10 . 1 1 459 459 SER HA H 459 4.424 4.424 3.938 0.486 19771 2363 1 10 . 1 1 459 459 SER CA C 459 62.116 62.116 60.937 1.179 19771 2364 1 10 . 1 1 459 459 SER CB C 459 62.828 62.828 62.895 -0.067 19771 2365 1 10 . 1 1 459 459 SER H H 459 8.482 8.482 8.483 -0.001 19771 2366 1 10 . 1 1 460 460 CYS N N 460 126.957 126.957 116.419 10.538 19771 2367 1 10 . 1 1 460 460 CYS HA H 460 4.402 4.402 4.174 0.228 19771 2368 1 10 . 1 1 460 460 CYS CA C 460 65.041 65.041 57.986 7.055 19771 2369 1 10 . 1 1 460 460 CYS CB C 460 30.694 30.694 26.685 4.009 19771 2370 1 10 . 1 1 460 460 CYS H H 460 9.474 9.474 7.533 1.941 19771 2371 1 10 . 1 1 461 461 TRP N N 461 121.032 121.032 123.779 -2.747 19771 2372 1 10 . 1 1 461 461 TRP HA H 461 3.259 3.259 4.004 -0.745 19771 2373 1 10 . 1 1 461 461 TRP CA C 461 62.794 62.794 60.798 1.996 19771 2374 1 10 . 1 1 461 461 TRP CB C 461 27.672 27.672 28.948 -1.276 19771 2375 1 10 . 1 1 461 461 TRP H H 461 9.553 9.553 8.600 0.953 19771 2376 1 10 . 1 1 462 462 HIS N N 462 119.358 119.358 115.565 3.793 19771 2377 1 10 . 1 1 462 462 HIS HA H 462 4.280 4.280 4.441 -0.161 19771 2378 1 10 . 1 1 462 462 HIS CA C 462 59.828 59.828 58.862 0.966 19771 2379 1 10 . 1 1 462 462 HIS CB C 462 30.330 30.330 29.355 0.975 19771 2380 1 10 . 1 1 462 462 HIS H H 462 8.007 8.007 7.375 0.632 19771 2381 1 10 . 1 1 463 463 TRP N N 463 121.005 121.005 118.503 2.502 19771 2382 1 10 . 1 1 463 463 TRP HA H 463 4.179 4.179 4.579 -0.400 19771 2383 1 10 . 1 1 463 463 TRP CA C 463 60.915 60.915 58.888 2.027 19771 2384 1 10 . 1 1 463 463 TRP CB C 463 28.556 28.556 28.518 0.038 19771 2385 1 10 . 1 1 463 463 TRP H H 463 8.146 8.146 7.477 0.669 19771 2386 1 10 . 1 1 464 464 ARG N N 464 117.937 117.937 114.594 3.343 19771 2387 1 10 . 1 1 464 464 ARG HA H 464 3.160 3.160 4.208 -1.048 19771 2388 1 10 . 1 1 464 464 ARG CA C 464 57.153 57.153 55.401 1.752 19771 2389 1 10 . 1 1 464 464 ARG CB C 464 29.998 29.998 30.217 -0.219 19771 2390 1 10 . 1 1 464 464 ARG H H 464 8.136 8.136 7.127 1.009 19771 2391 1 10 . 1 1 465 465 HIS N N 465 109.139 109.139 115.769 -6.630 19771 2392 1 10 . 1 1 465 465 HIS HA H 465 3.729 3.729 4.513 -0.784 19771 2393 1 10 . 1 1 465 465 HIS CA C 465 58.797 58.797 55.626 3.171 19771 2394 1 10 . 1 1 465 465 HIS CB C 465 25.377 25.377 31.057 -5.680 19771 2395 1 10 . 1 1 465 465 HIS H H 465 7.359 7.359 7.522 -0.163 19771 2396 1 10 . 1 1 466 466 SER N N 466 112.123 112.123 115.988 -3.865 19771 2397 1 10 . 1 1 466 466 SER HA H 466 4.273 4.273 4.293 -0.020 19771 2398 1 10 . 1 1 466 466 SER CA C 466 58.999 58.999 59.366 -0.367 19771 2399 1 10 . 1 1 466 466 SER CB C 466 63.431 63.431 63.392 0.039 19771 2400 1 10 . 1 1 466 466 SER H H 466 6.897 6.897 7.879 -0.982 19771 2401 1 10 . 1 1 467 467 MET N N 467 121.282 121.282 119.116 2.166 19771 2402 1 10 . 1 1 467 467 MET HA H 467 4.133 4.133 4.642 -0.509 19771 2403 1 10 . 1 1 467 467 MET CA C 467 55.435 55.435 56.118 -0.683 19771 2404 1 10 . 1 1 467 467 MET CB C 467 33.206 33.206 33.771 -0.565 19771 2405 1 10 . 1 1 467 467 MET H H 467 6.766 6.766 7.615 -0.849 19771 2406 1 10 . 1 1 468 468 GLU N N 468 122.864 122.864 122.239 0.625 19771 2407 1 10 . 1 1 468 468 GLU HA H 468 3.754 3.754 4.172 -0.418 19771 2408 1 10 . 1 1 468 468 GLU CA C 468 58.708 58.708 58.729 -0.021 19771 2409 1 10 . 1 1 468 468 GLU CB C 468 29.457 29.457 28.916 0.541 19771 2410 1 10 . 1 1 468 468 GLU H H 468 8.455 8.455 8.991 -0.536 19771 2411 1 10 . 1 1 469 469 GLY N N 469 112.643 112.643 106.056 6.587 19771 2412 1 10 . 1 1 469 469 GLY CA C 469 45.398 45.398 45.662 -0.264 19771 2413 1 10 . 1 1 469 469 GLY H H 469 8.893 8.893 8.084 0.809 19771 2414 1 10 . 1 1 470 470 LEU N N 470 118.167 118.167 118.473 -0.306 19771 2415 1 10 . 1 1 470 470 LEU HA H 470 3.862 3.862 4.440 -0.578 19771 2416 1 10 . 1 1 470 470 LEU CA C 470 54.284 54.284 53.209 1.075 19771 2417 1 10 . 1 1 470 470 LEU CB C 470 42.923 42.923 41.772 1.151 19771 2418 1 10 . 1 1 470 470 LEU H H 470 7.642 7.642 7.295 0.347 19771 2419 1 10 . 1 1 471 471 ARG N N 471 115.958 115.958 118.964 -3.006 19771 2420 1 10 . 1 1 471 471 ARG HA H 471 4.328 4.328 4.083 0.245 19771 2421 1 10 . 1 1 471 471 ARG CA C 471 58.357 58.357 57.794 0.563 19771 2422 1 10 . 1 1 471 471 ARG CB C 471 30.183 30.183 29.886 0.297 19771 2423 1 10 . 1 1 471 471 ARG H H 471 7.256 7.256 8.015 -0.759 19771 2424 1 10 . 1 1 472 472 HIS N N 472 113.710 113.710 114.982 -1.272 19771 2425 1 10 . 1 1 472 472 HIS HA H 472 4.635 4.635 4.625 0.010 19771 2426 1 10 . 1 1 472 472 HIS CA C 472 56.199 56.199 55.682 0.517 19771 2427 1 10 . 1 1 472 472 HIS CB C 472 30.157 30.157 29.467 0.690 19771 2428 1 10 . 1 1 472 472 HIS H H 472 8.410 8.410 7.935 0.475 19771 2429 1 10 . 1 1 473 473 HIS N N 473 122.456 122.456 121.491 0.965 19771 2430 1 10 . 1 1 473 473 HIS HA H 473 4.418 4.418 4.400 0.018 19771 2431 1 10 . 1 1 473 473 HIS CA C 473 55.485 55.485 55.987 -0.502 19771 2432 1 10 . 1 1 473 473 HIS CB C 473 31.291 31.291 30.335 0.956 19771 2433 1 10 . 1 1 473 473 HIS H H 473 6.899 6.899 7.240 -0.342 19771 2434 1 10 . 1 1 474 474 SER N N 474 117.590 117.590 115.980 1.610 19771 2435 1 10 . 1 1 474 474 SER HA H 474 5.065 5.065 4.851 0.214 19771 2436 1 10 . 1 1 474 474 SER CA C 474 55.164 55.164 56.254 -1.090 19771 2437 1 10 . 1 1 474 474 SER CB C 474 64.749 64.749 66.197 -1.448 19771 2438 1 10 . 1 1 474 474 SER H H 474 8.600 8.600 8.225 0.375 19771 2439 1 10 . 1 1 475 475 PRO HA H 475 4.258 4.258 4.418 -0.160 19771 2440 1 10 . 1 1 475 475 PRO CA C 475 62.975 62.975 62.463 0.512 19771 2441 1 10 . 1 1 475 475 PRO CB C 475 31.696 31.696 31.834 -0.138 19771 2442 1 10 . 1 1 476 476 LEU N N 476 123.672 123.672 125.256 -1.584 19771 2443 1 10 . 1 1 476 476 LEU CB C 476 44.146 44.146 44.883 -0.737 19771 2444 1 10 . 1 1 476 476 LEU H H 476 8.843 8.843 8.663 0.180 19771 2445 1 10 . 1 1 477 477 MET N N 477 122.428 122.428 117.945 4.483 19771 2446 1 10 . 1 1 477 477 MET HA H 477 4.918 4.918 4.946 -0.028 19771 2447 1 10 . 1 1 477 477 MET CA C 477 54.604 54.604 54.193 0.411 19771 2448 1 10 . 1 1 477 477 MET CB C 477 34.225 34.225 34.886 -0.661 19771 2449 1 10 . 1 1 477 477 MET H H 477 8.564 8.564 8.193 0.371 19771 2450 1 10 . 1 1 478 478 ARG N N 478 123.419 123.419 122.088 1.331 19771 2451 1 10 . 1 1 478 478 ARG CB C 478 32.024 32.024 31.461 0.563 19771 2452 1 10 . 1 1 478 478 ARG H H 478 8.825 8.825 8.230 0.595 19771 2453 1 10 . 1 1 481 481 LYS N N 481 122.000 122.000 122.490 -0.490 19771 2454 1 10 . 1 1 481 481 LYS H H 481 8.284 8.284 8.399 -0.115 19771 2455 1 10 . 1 1 482 482 ASN N N 482 119.466 119.466 118.134 1.332 19771 2456 1 10 . 1 1 482 482 ASN H H 482 8.379 8.379 8.655 -0.276 19771 2457 1 10 . 1 1 483 483 ARG N N 483 121.400 121.400 119.686 1.714 19771 2458 1 10 . 1 1 483 483 ARG H H 483 8.302 8.302 7.910 0.392 19771 2459 1 10 . 1 1 485 485 SER N N 485 115.800 115.800 115.716 0.084 19771 2460 1 10 . 1 1 485 485 SER H H 485 8.112 8.112 7.711 0.401 19771 2461 1 11 . 1 1 427 427 ASP N N 427 125.779 125.779 122.432 3.347 19771 2462 1 11 . 1 1 427 427 ASP HA H 427 4.829 4.829 5.178 -0.349 19771 2463 1 11 . 1 1 427 427 ASP CA C 427 52.150 52.150 52.836 -0.685 19771 2464 1 11 . 1 1 427 427 ASP CB C 427 41.537 41.537 43.893 -2.356 19771 2465 1 11 . 1 1 427 427 ASP H H 427 8.293 8.293 8.851 -0.558 19771 2466 1 11 . 1 1 428 428 PRO HA H 428 4.229 4.229 4.370 -0.141 19771 2467 1 11 . 1 1 428 428 PRO CA C 428 63.337 63.337 63.819 -0.482 19771 2468 1 11 . 1 1 428 428 PRO CB C 428 32.019 32.019 31.953 0.066 19771 2469 1 11 . 1 1 429 429 TYR N N 429 119.152 119.152 119.518 -0.366 19771 2470 1 11 . 1 1 429 429 TYR HA H 429 4.421 4.421 4.743 -0.322 19771 2471 1 11 . 1 1 429 429 TYR CA C 429 57.961 57.961 56.645 1.316 19771 2472 1 11 . 1 1 429 429 TYR CB C 429 37.968 37.968 41.350 -3.382 19771 2473 1 11 . 1 1 429 429 TYR H H 429 8.136 8.136 8.104 0.032 19771 2474 1 11 . 1 1 430 430 LEU N N 430 122.733 122.733 120.621 2.112 19771 2475 1 11 . 1 1 430 430 LEU HA H 430 4.205 4.205 4.719 -0.514 19771 2476 1 11 . 1 1 430 430 LEU CA C 430 54.950 54.950 53.542 1.408 19771 2477 1 11 . 1 1 430 430 LEU CB C 430 42.474 42.474 45.024 -2.550 19771 2478 1 11 . 1 1 430 430 LEU H H 430 7.596 7.596 7.121 0.475 19771 2479 1 11 . 1 1 431 431 GLU N N 431 120.614 120.614 117.069 3.545 19771 2480 1 11 . 1 1 431 431 GLU H H 431 8.157 8.157 8.423 -0.266 19771 2481 1 11 . 1 1 432 432 ASP HA H 432 4.387 4.387 4.654 -0.267 19771 2482 1 11 . 1 1 432 432 ASP CA C 432 54.365 54.365 52.444 1.921 19771 2483 1 11 . 1 1 432 432 ASP CB C 432 41.027 41.027 42.187 -1.160 19771 2484 1 11 . 1 1 433 433 SER N N 433 116.511 116.511 114.458 2.053 19771 2485 1 11 . 1 1 433 433 SER HA H 433 4.222 4.222 4.362 -0.140 19771 2486 1 11 . 1 1 433 433 SER CA C 433 57.811 57.811 56.772 1.039 19771 2487 1 11 . 1 1 433 433 SER CB C 433 64.342 64.342 64.524 -0.182 19771 2488 1 11 . 1 1 433 433 SER H H 433 7.926 7.926 8.082 -0.156 19771 2489 1 11 . 1 1 434 434 LEU N N 434 124.239 124.239 120.647 3.592 19771 2490 1 11 . 1 1 434 434 LEU HA H 434 4.301 4.301 4.336 -0.035 19771 2491 1 11 . 1 1 434 434 LEU CA C 434 54.780 54.780 54.424 0.356 19771 2492 1 11 . 1 1 434 434 LEU CB C 434 43.682 43.682 46.021 -2.339 19771 2493 1 11 . 1 1 434 434 LEU H H 434 8.161 8.161 7.724 0.437 19771 2494 1 11 . 1 1 435 435 CYS N N 435 121.658 121.658 123.543 -1.885 19771 2495 1 11 . 1 1 435 435 CYS HA H 435 3.767 3.767 4.344 -0.577 19771 2496 1 11 . 1 1 435 435 CYS CA C 435 60.505 60.505 59.389 1.116 19771 2497 1 11 . 1 1 435 435 CYS CB C 435 31.833 31.833 27.404 4.429 19771 2498 1 11 . 1 1 435 435 CYS H H 435 8.341 8.341 8.302 0.039 19771 2499 1 11 . 1 1 436 436 HIS N N 436 129.654 129.654 129.041 0.613 19771 2500 1 11 . 1 1 436 436 HIS HA H 436 4.436 4.436 4.507 -0.071 19771 2501 1 11 . 1 1 436 436 HIS CA C 436 58.775 58.775 57.223 1.552 19771 2502 1 11 . 1 1 436 436 HIS CB C 436 32.431 32.431 29.934 2.497 19771 2503 1 11 . 1 1 436 436 HIS H H 436 9.087 9.087 8.684 0.403 19771 2504 1 11 . 1 1 437 437 ILE N N 437 121.647 121.647 117.590 4.057 19771 2505 1 11 . 1 1 437 437 ILE HA H 437 4.122 4.122 4.345 -0.223 19771 2506 1 11 . 1 1 437 437 ILE CA C 437 61.632 61.632 62.053 -0.421 19771 2507 1 11 . 1 1 437 437 ILE CB C 437 35.149 35.149 39.691 -4.542 19771 2508 1 11 . 1 1 437 437 ILE H H 437 9.294 9.294 7.781 1.513 19771 2509 1 11 . 1 1 438 438 CYS N N 438 118.756 118.756 117.807 0.949 19771 2510 1 11 . 1 1 438 438 CYS HA H 438 4.719 4.719 4.845 -0.126 19771 2511 1 11 . 1 1 438 438 CYS CB C 438 31.931 31.931 29.845 2.086 19771 2512 1 11 . 1 1 438 438 CYS H H 438 8.503 8.503 7.894 0.609 19771 2513 1 11 . 1 1 439 439 SER N N 439 116.341 116.341 116.239 0.102 19771 2514 1 11 . 1 1 439 439 SER HA H 439 4.348 4.348 4.085 0.263 19771 2515 1 11 . 1 1 439 439 SER CA C 439 60.131 60.131 59.698 0.433 19771 2516 1 11 . 1 1 439 439 SER CB C 439 62.642 62.642 61.702 0.940 19771 2517 1 11 . 1 1 439 439 SER H H 439 7.561 7.561 8.338 -0.777 19771 2518 1 11 . 1 1 440 440 SER N N 440 113.455 113.455 114.399 -0.944 19771 2519 1 11 . 1 1 440 440 SER HA H 440 4.777 4.777 4.515 0.262 19771 2520 1 11 . 1 1 440 440 SER CA C 440 58.703 58.703 59.496 -0.793 19771 2521 1 11 . 1 1 440 440 SER CB C 440 65.681 65.681 63.907 1.774 19771 2522 1 11 . 1 1 440 440 SER H H 440 8.272 8.272 8.165 0.107 19771 2523 1 11 . 1 1 441 441 GLN N N 441 118.674 118.674 117.525 1.149 19771 2524 1 11 . 1 1 441 441 GLN HA H 441 4.865 4.865 4.766 0.099 19771 2525 1 11 . 1 1 441 441 GLN CA C 441 52.802 52.802 53.099 -0.297 19771 2526 1 11 . 1 1 441 441 GLN CB C 441 30.560 30.560 29.053 1.507 19771 2527 1 11 . 1 1 441 441 GLN H H 441 7.355 7.355 7.685 -0.330 19771 2528 1 11 . 1 1 442 442 PRO HA H 442 4.349 4.349 4.255 0.094 19771 2529 1 11 . 1 1 442 442 PRO CA C 442 63.693 63.693 63.376 0.318 19771 2530 1 11 . 1 1 442 442 PRO CB C 442 32.549 32.549 31.687 0.862 19771 2531 1 11 . 1 1 443 443 GLY N N 443 110.126 110.126 106.806 3.320 19771 2532 1 11 . 1 1 443 443 GLY CA C 443 46.097 46.097 44.449 1.648 19771 2533 1 11 . 1 1 443 443 GLY H H 443 8.819 8.819 7.681 1.138 19771 2534 1 11 . 1 1 444 444 PRO HA H 444 4.387 4.387 4.174 0.213 19771 2535 1 11 . 1 1 444 444 PRO CA C 444 63.025 63.025 63.673 -0.648 19771 2536 1 11 . 1 1 444 444 PRO CB C 444 32.737 32.737 31.683 1.054 19771 2537 1 11 . 1 1 445 445 PHE N N 445 116.262 116.262 117.291 -1.029 19771 2538 1 11 . 1 1 445 445 PHE HA H 445 4.962 4.962 5.242 -0.280 19771 2539 1 11 . 1 1 445 445 PHE CA C 445 56.014 56.014 56.066 -0.052 19771 2540 1 11 . 1 1 445 445 PHE CB C 445 40.028 40.028 42.786 -2.758 19771 2541 1 11 . 1 1 445 445 PHE H H 445 8.066 8.066 7.763 0.303 19771 2542 1 11 . 1 1 446 446 PHE N N 446 126.081 126.081 120.940 5.141 19771 2543 1 11 . 1 1 446 446 PHE HA H 446 5.050 5.050 5.414 -0.364 19771 2544 1 11 . 1 1 446 446 PHE CA C 446 56.775 56.775 56.584 0.191 19771 2545 1 11 . 1 1 446 446 PHE CB C 446 41.731 41.731 43.123 -1.392 19771 2546 1 11 . 1 1 446 446 PHE H H 446 9.446 9.446 8.464 0.982 19771 2547 1 11 . 1 1 447 447 CYS N N 447 128.746 128.746 125.420 3.326 19771 2548 1 11 . 1 1 447 447 CYS HA H 447 4.874 4.874 5.127 -0.253 19771 2549 1 11 . 1 1 447 447 CYS CA C 447 58.263 58.263 56.410 1.853 19771 2550 1 11 . 1 1 447 447 CYS CB C 447 30.994 30.994 30.122 0.872 19771 2551 1 11 . 1 1 447 447 CYS H H 447 7.729 7.729 7.844 -0.115 19771 2552 1 11 . 1 1 448 448 ARG N N 448 125.530 125.530 126.226 -0.696 19771 2553 1 11 . 1 1 448 448 ARG HA H 448 4.080 4.080 4.783 -0.703 19771 2554 1 11 . 1 1 448 448 ARG CA C 448 55.854 55.854 55.165 0.689 19771 2555 1 11 . 1 1 448 448 ARG CB C 448 31.200 31.200 29.371 1.829 19771 2556 1 11 . 1 1 448 448 ARG H H 448 8.783 8.783 8.904 -0.121 19771 2557 1 11 . 1 1 449 449 ASP N N 449 123.969 123.969 121.744 2.225 19771 2558 1 11 . 1 1 449 449 ASP HA H 449 4.155 4.155 4.691 -0.536 19771 2559 1 11 . 1 1 449 449 ASP CA C 449 56.118 56.118 53.837 2.281 19771 2560 1 11 . 1 1 449 449 ASP CB C 449 43.634 43.634 41.547 2.087 19771 2561 1 11 . 1 1 449 449 ASP H H 449 8.117 8.117 7.348 0.769 19771 2562 1 11 . 1 1 450 450 GLN N N 450 125.410 125.410 120.761 4.649 19771 2563 1 11 . 1 1 450 450 GLN HA H 450 3.832 3.832 4.129 -0.297 19771 2564 1 11 . 1 1 450 450 GLN CA C 450 59.127 59.127 58.352 0.775 19771 2565 1 11 . 1 1 450 450 GLN CB C 450 28.699 28.699 28.420 0.279 19771 2566 1 11 . 1 1 450 450 GLN H H 450 8.670 8.670 8.904 -0.234 19771 2567 1 11 . 1 1 451 451 VAL N N 451 113.164 113.164 110.295 2.869 19771 2568 1 11 . 1 1 451 451 VAL HA H 451 4.240 4.240 4.411 -0.171 19771 2569 1 11 . 1 1 451 451 VAL CA C 451 63.199 63.199 61.715 1.484 19771 2570 1 11 . 1 1 451 451 VAL CB C 451 31.439 31.439 31.631 -0.192 19771 2571 1 11 . 1 1 451 451 VAL H H 451 8.591 8.591 7.738 0.853 19771 2572 1 11 . 1 1 452 452 CYS N N 452 120.986 120.986 118.497 2.489 19771 2573 1 11 . 1 1 452 452 CYS HA H 452 4.502 4.502 4.973 -0.471 19771 2574 1 11 . 1 1 452 452 CYS CA C 452 60.474 60.474 60.756 -0.282 19771 2575 1 11 . 1 1 452 452 CYS CB C 452 31.715 31.715 29.521 2.194 19771 2576 1 11 . 1 1 452 452 CYS H H 452 7.963 7.963 7.638 0.325 19771 2577 1 11 . 1 1 453 453 PHE N N 453 129.406 129.406 120.295 9.111 19771 2578 1 11 . 1 1 453 453 PHE HA H 453 4.121 4.121 4.058 0.063 19771 2579 1 11 . 1 1 453 453 PHE CA C 453 59.700 59.700 59.219 0.480 19771 2580 1 11 . 1 1 453 453 PHE CB C 453 38.328 38.328 37.432 0.896 19771 2581 1 11 . 1 1 453 453 PHE H H 453 7.880 7.880 7.919 -0.039 19771 2582 1 11 . 1 1 454 454 LYS N N 454 113.628 113.628 116.235 -2.607 19771 2583 1 11 . 1 1 454 454 LYS HA H 454 4.423 4.423 4.652 -0.229 19771 2584 1 11 . 1 1 454 454 LYS CA C 454 54.050 54.050 53.895 0.155 19771 2585 1 11 . 1 1 454 454 LYS CB C 454 37.833 37.833 37.134 0.699 19771 2586 1 11 . 1 1 454 454 LYS H H 454 6.384 6.384 7.195 -0.811 19771 2587 1 11 . 1 1 455 455 TYR N N 455 117.756 117.756 117.673 0.083 19771 2588 1 11 . 1 1 455 455 TYR HA H 455 5.111 5.111 4.955 0.156 19771 2589 1 11 . 1 1 455 455 TYR CA C 455 58.616 58.616 59.093 -0.477 19771 2590 1 11 . 1 1 455 455 TYR CB C 455 39.956 39.956 39.755 0.201 19771 2591 1 11 . 1 1 455 455 TYR H H 455 7.100 7.100 8.249 -1.149 19771 2592 1 11 . 1 1 456 456 PHE N N 456 117.529 117.529 117.649 -0.120 19771 2593 1 11 . 1 1 456 456 PHE HA H 456 6.342 6.342 5.036 1.306 19771 2594 1 11 . 1 1 456 456 PHE CA C 456 57.017 57.017 56.854 0.163 19771 2595 1 11 . 1 1 456 456 PHE CB C 456 45.138 45.138 44.245 0.893 19771 2596 1 11 . 1 1 456 456 PHE H H 456 9.527 9.527 9.120 0.407 19771 2597 1 11 . 1 1 457 457 CYS N N 457 119.575 119.575 116.293 3.282 19771 2598 1 11 . 1 1 457 457 CYS HA H 457 5.435 5.435 5.210 0.225 19771 2599 1 11 . 1 1 457 457 CYS CA C 457 58.044 58.044 55.898 2.146 19771 2600 1 11 . 1 1 457 457 CYS CB C 457 32.277 32.277 31.377 0.900 19771 2601 1 11 . 1 1 457 457 CYS H H 457 9.710 9.710 9.039 0.671 19771 2602 1 11 . 1 1 458 458 ARG N N 458 120.479 120.479 122.026 -1.547 19771 2603 1 11 . 1 1 458 458 ARG HA H 458 3.750 3.750 3.794 -0.044 19771 2604 1 11 . 1 1 458 458 ARG CA C 458 60.863 60.863 60.302 0.561 19771 2605 1 11 . 1 1 458 458 ARG CB C 458 30.407 30.407 30.256 0.151 19771 2606 1 11 . 1 1 458 458 ARG H H 458 9.300 9.300 9.061 0.239 19771 2607 1 11 . 1 1 459 459 SER N N 459 114.502 114.502 113.838 0.664 19771 2608 1 11 . 1 1 459 459 SER HA H 459 4.424 4.424 3.902 0.522 19771 2609 1 11 . 1 1 459 459 SER CA C 459 62.116 62.116 60.861 1.254 19771 2610 1 11 . 1 1 459 459 SER CB C 459 62.828 62.828 62.931 -0.103 19771 2611 1 11 . 1 1 459 459 SER H H 459 8.482 8.482 8.243 0.239 19771 2612 1 11 . 1 1 460 460 CYS N N 460 126.957 126.957 116.640 10.317 19771 2613 1 11 . 1 1 460 460 CYS HA H 460 4.402 4.402 4.235 0.167 19771 2614 1 11 . 1 1 460 460 CYS CA C 460 65.041 65.041 58.227 6.814 19771 2615 1 11 . 1 1 460 460 CYS CB C 460 30.694 30.694 26.681 4.013 19771 2616 1 11 . 1 1 460 460 CYS H H 460 9.474 9.474 7.423 2.051 19771 2617 1 11 . 1 1 461 461 TRP N N 461 121.032 121.032 123.738 -2.706 19771 2618 1 11 . 1 1 461 461 TRP HA H 461 3.259 3.259 3.885 -0.626 19771 2619 1 11 . 1 1 461 461 TRP CA C 461 62.794 62.794 60.754 2.040 19771 2620 1 11 . 1 1 461 461 TRP CB C 461 27.672 27.672 28.981 -1.309 19771 2621 1 11 . 1 1 461 461 TRP H H 461 9.553 9.553 8.513 1.040 19771 2622 1 11 . 1 1 462 462 HIS N N 462 119.358 119.358 115.038 4.320 19771 2623 1 11 . 1 1 462 462 HIS HA H 462 4.280 4.280 4.451 -0.171 19771 2624 1 11 . 1 1 462 462 HIS CA C 462 59.828 59.828 58.869 0.959 19771 2625 1 11 . 1 1 462 462 HIS CB C 462 30.330 30.330 29.457 0.872 19771 2626 1 11 . 1 1 462 462 HIS H H 462 8.007 8.007 7.339 0.668 19771 2627 1 11 . 1 1 463 463 TRP N N 463 121.005 121.005 119.456 1.549 19771 2628 1 11 . 1 1 463 463 TRP HA H 463 4.179 4.179 4.537 -0.358 19771 2629 1 11 . 1 1 463 463 TRP CA C 463 60.915 60.915 59.271 1.644 19771 2630 1 11 . 1 1 463 463 TRP CB C 463 28.556 28.556 28.499 0.057 19771 2631 1 11 . 1 1 463 463 TRP H H 463 8.146 8.146 7.470 0.676 19771 2632 1 11 . 1 1 464 464 ARG N N 464 117.937 117.937 116.953 0.984 19771 2633 1 11 . 1 1 464 464 ARG HA H 464 3.160 3.160 4.147 -0.987 19771 2634 1 11 . 1 1 464 464 ARG CA C 464 57.153 57.153 56.018 1.135 19771 2635 1 11 . 1 1 464 464 ARG CB C 464 29.998 29.998 30.044 -0.046 19771 2636 1 11 . 1 1 464 464 ARG H H 464 8.136 8.136 7.041 1.095 19771 2637 1 11 . 1 1 465 465 HIS N N 465 109.139 109.139 114.985 -5.846 19771 2638 1 11 . 1 1 465 465 HIS HA H 465 3.729 3.729 4.466 -0.737 19771 2639 1 11 . 1 1 465 465 HIS CA C 465 58.797 58.797 55.686 3.111 19771 2640 1 11 . 1 1 465 465 HIS CB C 465 25.377 25.377 31.000 -5.622 19771 2641 1 11 . 1 1 465 465 HIS H H 465 7.359 7.359 7.503 -0.144 19771 2642 1 11 . 1 1 466 466 SER N N 466 112.123 112.123 116.045 -3.922 19771 2643 1 11 . 1 1 466 466 SER HA H 466 4.273 4.273 4.283 -0.010 19771 2644 1 11 . 1 1 466 466 SER CA C 466 58.999 58.999 59.552 -0.553 19771 2645 1 11 . 1 1 466 466 SER CB C 466 63.431 63.431 63.395 0.036 19771 2646 1 11 . 1 1 466 466 SER H H 466 6.897 6.897 7.887 -0.990 19771 2647 1 11 . 1 1 467 467 MET N N 467 121.282 121.282 118.961 2.321 19771 2648 1 11 . 1 1 467 467 MET HA H 467 4.133 4.133 4.676 -0.543 19771 2649 1 11 . 1 1 467 467 MET CA C 467 55.435 55.435 55.816 -0.381 19771 2650 1 11 . 1 1 467 467 MET CB C 467 33.206 33.206 33.418 -0.212 19771 2651 1 11 . 1 1 467 467 MET H H 467 6.766 6.766 7.449 -0.683 19771 2652 1 11 . 1 1 468 468 GLU N N 468 122.864 122.864 121.012 1.852 19771 2653 1 11 . 1 1 468 468 GLU HA H 468 3.754 3.754 4.120 -0.366 19771 2654 1 11 . 1 1 468 468 GLU CA C 468 58.708 58.708 58.059 0.650 19771 2655 1 11 . 1 1 468 468 GLU CB C 468 29.457 29.457 29.438 0.019 19771 2656 1 11 . 1 1 468 468 GLU H H 468 8.455 8.455 9.007 -0.552 19771 2657 1 11 . 1 1 469 469 GLY N N 469 112.643 112.643 105.436 7.207 19771 2658 1 11 . 1 1 469 469 GLY CA C 469 45.398 45.398 45.847 -0.449 19771 2659 1 11 . 1 1 469 469 GLY H H 469 8.893 8.893 8.000 0.893 19771 2660 1 11 . 1 1 470 470 LEU N N 470 118.167 118.167 119.270 -1.103 19771 2661 1 11 . 1 1 470 470 LEU HA H 470 3.862 3.862 4.432 -0.570 19771 2662 1 11 . 1 1 470 470 LEU CA C 470 54.284 54.284 53.493 0.791 19771 2663 1 11 . 1 1 470 470 LEU CB C 470 42.923 42.923 41.995 0.928 19771 2664 1 11 . 1 1 470 470 LEU H H 470 7.642 7.642 7.277 0.365 19771 2665 1 11 . 1 1 471 471 ARG N N 471 115.958 115.958 118.404 -2.446 19771 2666 1 11 . 1 1 471 471 ARG HA H 471 4.328 4.328 4.202 0.126 19771 2667 1 11 . 1 1 471 471 ARG CA C 471 58.357 58.357 57.681 0.676 19771 2668 1 11 . 1 1 471 471 ARG CB C 471 30.183 30.183 29.459 0.724 19771 2669 1 11 . 1 1 471 471 ARG H H 471 7.256 7.256 8.096 -0.840 19771 2670 1 11 . 1 1 472 472 HIS N N 472 113.710 113.710 113.853 -0.143 19771 2671 1 11 . 1 1 472 472 HIS HA H 472 4.635 4.635 4.657 -0.022 19771 2672 1 11 . 1 1 472 472 HIS CA C 472 56.199 56.199 55.302 0.897 19771 2673 1 11 . 1 1 472 472 HIS CB C 472 30.157 30.157 29.593 0.564 19771 2674 1 11 . 1 1 472 472 HIS H H 472 8.410 8.410 7.838 0.572 19771 2675 1 11 . 1 1 473 473 HIS N N 473 122.456 122.456 120.241 2.215 19771 2676 1 11 . 1 1 473 473 HIS HA H 473 4.418 4.418 4.299 0.119 19771 2677 1 11 . 1 1 473 473 HIS CA C 473 55.485 55.485 56.239 -0.754 19771 2678 1 11 . 1 1 473 473 HIS CB C 473 31.291 31.291 30.229 1.062 19771 2679 1 11 . 1 1 473 473 HIS H H 473 6.899 6.899 7.037 -0.138 19771 2680 1 11 . 1 1 474 474 SER N N 474 117.590 117.590 117.074 0.516 19771 2681 1 11 . 1 1 474 474 SER HA H 474 5.065 5.065 4.948 0.117 19771 2682 1 11 . 1 1 474 474 SER CA C 474 55.164 55.164 55.677 -0.513 19771 2683 1 11 . 1 1 474 474 SER CB C 474 64.749 64.749 65.325 -0.576 19771 2684 1 11 . 1 1 474 474 SER H H 474 8.600 8.600 8.665 -0.065 19771 2685 1 11 . 1 1 475 475 PRO HA H 475 4.258 4.258 4.215 0.043 19771 2686 1 11 . 1 1 475 475 PRO CA C 475 62.975 62.975 62.812 0.163 19771 2687 1 11 . 1 1 475 475 PRO CB C 475 31.696 31.696 31.912 -0.216 19771 2688 1 11 . 1 1 476 476 LEU N N 476 123.672 123.672 120.783 2.889 19771 2689 1 11 . 1 1 476 476 LEU CB C 476 44.146 44.146 46.035 -1.889 19771 2690 1 11 . 1 1 476 476 LEU H H 476 8.843 8.843 7.965 0.878 19771 2691 1 11 . 1 1 477 477 MET N N 477 122.428 122.428 119.506 2.922 19771 2692 1 11 . 1 1 477 477 MET HA H 477 4.918 4.918 4.648 0.270 19771 2693 1 11 . 1 1 477 477 MET CA C 477 54.604 54.604 56.520 -1.916 19771 2694 1 11 . 1 1 477 477 MET CB C 477 34.225 34.225 33.421 0.804 19771 2695 1 11 . 1 1 477 477 MET H H 477 8.564 8.564 8.640 -0.076 19771 2696 1 11 . 1 1 478 478 ARG N N 478 123.419 123.419 114.789 8.630 19771 2697 1 11 . 1 1 478 478 ARG CB C 478 32.024 32.024 32.385 -0.361 19771 2698 1 11 . 1 1 478 478 ARG H H 478 8.825 8.825 7.457 1.368 19771 2699 1 11 . 1 1 481 481 LYS N N 481 122.000 122.000 118.896 3.104 19771 2700 1 11 . 1 1 481 481 LYS H H 481 8.284 8.284 7.589 0.695 19771 2701 1 11 . 1 1 482 482 ASN N N 482 119.466 119.466 119.687 -0.221 19771 2702 1 11 . 1 1 482 482 ASN H H 482 8.379 8.379 8.372 0.007 19771 2703 1 11 . 1 1 483 483 ARG N N 483 121.400 121.400 120.050 1.350 19771 2704 1 11 . 1 1 483 483 ARG H H 483 8.302 8.302 8.511 -0.209 19771 2705 1 11 . 1 1 485 485 SER N N 485 115.800 115.800 116.620 -0.820 19771 2706 1 11 . 1 1 485 485 SER H H 485 8.112 8.112 8.573 -0.461 19771 2707 1 12 . 1 1 427 427 ASP N N 427 125.779 125.779 126.245 -0.466 19771 2708 1 12 . 1 1 427 427 ASP HA H 427 4.829 4.829 5.034 -0.205 19771 2709 1 12 . 1 1 427 427 ASP CA C 427 52.150 52.150 51.799 0.351 19771 2710 1 12 . 1 1 427 427 ASP CB C 427 41.537 41.537 44.195 -2.658 19771 2711 1 12 . 1 1 427 427 ASP H H 427 8.293 8.293 7.872 0.421 19771 2712 1 12 . 1 1 428 428 PRO HA H 428 4.229 4.229 4.469 -0.240 19771 2713 1 12 . 1 1 428 428 PRO CA C 428 63.337 63.337 63.154 0.183 19771 2714 1 12 . 1 1 428 428 PRO CB C 428 32.019 32.019 32.880 -0.861 19771 2715 1 12 . 1 1 429 429 TYR N N 429 119.152 119.152 119.682 -0.530 19771 2716 1 12 . 1 1 429 429 TYR HA H 429 4.421 4.421 4.636 -0.215 19771 2717 1 12 . 1 1 429 429 TYR CA C 429 57.961 57.961 57.074 0.887 19771 2718 1 12 . 1 1 429 429 TYR CB C 429 37.968 37.968 40.769 -2.800 19771 2719 1 12 . 1 1 429 429 TYR H H 429 8.136 8.136 8.252 -0.116 19771 2720 1 12 . 1 1 430 430 LEU N N 430 122.733 122.733 122.753 -0.020 19771 2721 1 12 . 1 1 430 430 LEU HA H 430 4.205 4.205 4.307 -0.102 19771 2722 1 12 . 1 1 430 430 LEU CA C 430 54.950 54.950 54.676 0.274 19771 2723 1 12 . 1 1 430 430 LEU CB C 430 42.474 42.474 41.824 0.650 19771 2724 1 12 . 1 1 430 430 LEU H H 430 7.596 7.596 7.174 0.422 19771 2725 1 12 . 1 1 431 431 GLU N N 431 120.614 120.614 120.808 -0.194 19771 2726 1 12 . 1 1 431 431 GLU H H 431 8.157 8.157 8.794 -0.637 19771 2727 1 12 . 1 1 432 432 ASP HA H 432 4.387 4.387 4.537 -0.150 19771 2728 1 12 . 1 1 432 432 ASP CA C 432 54.365 54.365 54.796 -0.431 19771 2729 1 12 . 1 1 432 432 ASP CB C 432 41.027 41.027 39.361 1.667 19771 2730 1 12 . 1 1 433 433 SER N N 433 116.511 116.511 114.088 2.423 19771 2731 1 12 . 1 1 433 433 SER HA H 433 4.222 4.222 3.621 0.601 19771 2732 1 12 . 1 1 433 433 SER CA C 433 57.811 57.811 58.546 -0.735 19771 2733 1 12 . 1 1 433 433 SER CB C 433 64.342 64.342 62.817 1.525 19771 2734 1 12 . 1 1 433 433 SER H H 433 7.926 7.926 7.516 0.410 19771 2735 1 12 . 1 1 434 434 LEU N N 434 124.239 124.239 122.664 1.575 19771 2736 1 12 . 1 1 434 434 LEU HA H 434 4.301 4.301 4.264 0.037 19771 2737 1 12 . 1 1 434 434 LEU CA C 434 54.780 54.780 56.373 -1.593 19771 2738 1 12 . 1 1 434 434 LEU CB C 434 43.682 43.682 42.856 0.826 19771 2739 1 12 . 1 1 434 434 LEU H H 434 8.161 8.161 7.189 0.972 19771 2740 1 12 . 1 1 435 435 CYS N N 435 121.658 121.658 123.075 -1.417 19771 2741 1 12 . 1 1 435 435 CYS HA H 435 3.767 3.767 4.357 -0.590 19771 2742 1 12 . 1 1 435 435 CYS CA C 435 60.505 60.505 59.476 1.029 19771 2743 1 12 . 1 1 435 435 CYS CB C 435 31.833 31.833 27.323 4.510 19771 2744 1 12 . 1 1 435 435 CYS H H 435 8.341 8.341 8.170 0.171 19771 2745 1 12 . 1 1 436 436 HIS N N 436 129.654 129.654 128.238 1.416 19771 2746 1 12 . 1 1 436 436 HIS HA H 436 4.436 4.436 4.560 -0.124 19771 2747 1 12 . 1 1 436 436 HIS CA C 436 58.775 58.775 56.946 1.829 19771 2748 1 12 . 1 1 436 436 HIS CB C 436 32.431 32.431 29.832 2.599 19771 2749 1 12 . 1 1 436 436 HIS H H 436 9.087 9.087 8.797 0.290 19771 2750 1 12 . 1 1 437 437 ILE N N 437 121.647 121.647 116.379 5.268 19771 2751 1 12 . 1 1 437 437 ILE HA H 437 4.122 4.122 4.414 -0.292 19771 2752 1 12 . 1 1 437 437 ILE CA C 437 61.632 61.632 61.608 0.024 19771 2753 1 12 . 1 1 437 437 ILE CB C 437 35.149 35.149 39.478 -4.329 19771 2754 1 12 . 1 1 437 437 ILE H H 437 9.294 9.294 7.762 1.532 19771 2755 1 12 . 1 1 438 438 CYS N N 438 118.756 118.756 117.932 0.824 19771 2756 1 12 . 1 1 438 438 CYS HA H 438 4.719 4.719 4.817 -0.098 19771 2757 1 12 . 1 1 438 438 CYS CB C 438 31.931 31.931 29.785 2.146 19771 2758 1 12 . 1 1 438 438 CYS H H 438 8.503 8.503 7.951 0.552 19771 2759 1 12 . 1 1 439 439 SER N N 439 116.341 116.341 116.954 -0.613 19771 2760 1 12 . 1 1 439 439 SER HA H 439 4.348 4.348 4.176 0.172 19771 2761 1 12 . 1 1 439 439 SER CA C 439 60.131 60.131 59.890 0.241 19771 2762 1 12 . 1 1 439 439 SER CB C 439 62.642 62.642 62.025 0.617 19771 2763 1 12 . 1 1 439 439 SER H H 439 7.561 7.561 8.361 -0.800 19771 2764 1 12 . 1 1 440 440 SER N N 440 113.455 113.455 113.103 0.352 19771 2765 1 12 . 1 1 440 440 SER HA H 440 4.777 4.777 4.606 0.171 19771 2766 1 12 . 1 1 440 440 SER CA C 440 58.703 58.703 58.906 -0.203 19771 2767 1 12 . 1 1 440 440 SER CB C 440 65.681 65.681 64.022 1.659 19771 2768 1 12 . 1 1 440 440 SER H H 440 8.272 8.272 8.061 0.211 19771 2769 1 12 . 1 1 441 441 GLN N N 441 118.674 118.674 119.425 -0.751 19771 2770 1 12 . 1 1 441 441 GLN HA H 441 4.865 4.865 4.681 0.184 19771 2771 1 12 . 1 1 441 441 GLN CA C 441 52.802 52.802 53.161 -0.359 19771 2772 1 12 . 1 1 441 441 GLN CB C 441 30.560 30.560 29.110 1.450 19771 2773 1 12 . 1 1 441 441 GLN H H 441 7.355 7.355 8.031 -0.676 19771 2774 1 12 . 1 1 442 442 PRO HA H 442 4.349 4.349 4.262 0.087 19771 2775 1 12 . 1 1 442 442 PRO CA C 442 63.693 63.693 62.993 0.700 19771 2776 1 12 . 1 1 442 442 PRO CB C 442 32.549 32.549 30.653 1.896 19771 2777 1 12 . 1 1 443 443 GLY N N 443 110.126 110.126 109.310 0.816 19771 2778 1 12 . 1 1 443 443 GLY CA C 443 46.097 46.097 44.696 1.401 19771 2779 1 12 . 1 1 443 443 GLY H H 443 8.819 8.819 7.558 1.261 19771 2780 1 12 . 1 1 444 444 PRO HA H 444 4.387 4.387 4.124 0.263 19771 2781 1 12 . 1 1 444 444 PRO CA C 444 63.025 63.025 63.787 -0.762 19771 2782 1 12 . 1 1 444 444 PRO CB C 444 32.737 32.737 31.727 1.010 19771 2783 1 12 . 1 1 445 445 PHE N N 445 116.262 116.262 117.472 -1.210 19771 2784 1 12 . 1 1 445 445 PHE HA H 445 4.962 4.962 5.069 -0.107 19771 2785 1 12 . 1 1 445 445 PHE CA C 445 56.014 56.014 56.782 -0.768 19771 2786 1 12 . 1 1 445 445 PHE CB C 445 40.028 40.028 42.948 -2.920 19771 2787 1 12 . 1 1 445 445 PHE H H 445 8.066 8.066 7.905 0.161 19771 2788 1 12 . 1 1 446 446 PHE N N 446 126.081 126.081 121.078 5.003 19771 2789 1 12 . 1 1 446 446 PHE HA H 446 5.050 5.050 5.286 -0.236 19771 2790 1 12 . 1 1 446 446 PHE CA C 446 56.775 56.775 56.708 0.067 19771 2791 1 12 . 1 1 446 446 PHE CB C 446 41.731 41.731 43.233 -1.502 19771 2792 1 12 . 1 1 446 446 PHE H H 446 9.446 9.446 8.541 0.905 19771 2793 1 12 . 1 1 447 447 CYS N N 447 128.746 128.746 121.055 7.691 19771 2794 1 12 . 1 1 447 447 CYS HA H 447 4.874 4.874 5.022 -0.148 19771 2795 1 12 . 1 1 447 447 CYS CA C 447 58.263 58.263 57.026 1.237 19771 2796 1 12 . 1 1 447 447 CYS CB C 447 30.994 30.994 30.933 0.061 19771 2797 1 12 . 1 1 447 447 CYS H H 447 7.729 7.729 7.633 0.096 19771 2798 1 12 . 1 1 448 448 ARG N N 448 125.530 125.530 122.274 3.256 19771 2799 1 12 . 1 1 448 448 ARG HA H 448 4.080 4.080 4.553 -0.473 19771 2800 1 12 . 1 1 448 448 ARG CA C 448 55.854 55.854 55.274 0.580 19771 2801 1 12 . 1 1 448 448 ARG CB C 448 31.200 31.200 30.329 0.871 19771 2802 1 12 . 1 1 448 448 ARG H H 448 8.783 8.783 8.741 0.042 19771 2803 1 12 . 1 1 449 449 ASP N N 449 123.969 123.969 121.292 2.677 19771 2804 1 12 . 1 1 449 449 ASP HA H 449 4.155 4.155 4.706 -0.551 19771 2805 1 12 . 1 1 449 449 ASP CA C 449 56.118 56.118 53.837 2.281 19771 2806 1 12 . 1 1 449 449 ASP CB C 449 43.634 43.634 41.741 1.893 19771 2807 1 12 . 1 1 449 449 ASP H H 449 8.117 8.117 7.438 0.679 19771 2808 1 12 . 1 1 450 450 GLN N N 450 125.410 125.410 121.442 3.968 19771 2809 1 12 . 1 1 450 450 GLN HA H 450 3.832 3.832 4.163 -0.331 19771 2810 1 12 . 1 1 450 450 GLN CA C 450 59.127 59.127 58.438 0.689 19771 2811 1 12 . 1 1 450 450 GLN CB C 450 28.699 28.699 28.521 0.177 19771 2812 1 12 . 1 1 450 450 GLN H H 450 8.670 8.670 8.871 -0.201 19771 2813 1 12 . 1 1 451 451 VAL N N 451 113.164 113.164 111.974 1.190 19771 2814 1 12 . 1 1 451 451 VAL HA H 451 4.240 4.240 4.434 -0.194 19771 2815 1 12 . 1 1 451 451 VAL CA C 451 63.199 63.199 61.439 1.760 19771 2816 1 12 . 1 1 451 451 VAL CB C 451 31.439 31.439 32.223 -0.784 19771 2817 1 12 . 1 1 451 451 VAL H H 451 8.591 8.591 7.843 0.748 19771 2818 1 12 . 1 1 452 452 CYS N N 452 120.986 120.986 115.469 5.517 19771 2819 1 12 . 1 1 452 452 CYS HA H 452 4.502 4.502 5.055 -0.553 19771 2820 1 12 . 1 1 452 452 CYS CA C 452 60.474 60.474 56.654 3.820 19771 2821 1 12 . 1 1 452 452 CYS CB C 452 31.715 31.715 27.568 4.147 19771 2822 1 12 . 1 1 452 452 CYS H H 452 7.963 7.963 7.706 0.257 19771 2823 1 12 . 1 1 453 453 PHE N N 453 129.406 129.406 117.474 11.932 19771 2824 1 12 . 1 1 453 453 PHE HA H 453 4.121 4.121 4.665 -0.544 19771 2825 1 12 . 1 1 453 453 PHE CA C 453 59.700 59.700 56.634 3.066 19771 2826 1 12 . 1 1 453 453 PHE CB C 453 38.328 38.328 37.142 1.186 19771 2827 1 12 . 1 1 453 453 PHE H H 453 7.880 7.880 8.738 -0.858 19771 2828 1 12 . 1 1 454 454 LYS N N 454 113.628 113.628 119.268 -5.640 19771 2829 1 12 . 1 1 454 454 LYS HA H 454 4.423 4.423 4.505 -0.082 19771 2830 1 12 . 1 1 454 454 LYS CA C 454 54.050 54.050 53.800 0.250 19771 2831 1 12 . 1 1 454 454 LYS CB C 454 37.833 37.833 34.984 2.849 19771 2832 1 12 . 1 1 454 454 LYS H H 454 6.384 6.384 7.131 -0.747 19771 2833 1 12 . 1 1 455 455 TYR N N 455 117.756 117.756 117.740 0.016 19771 2834 1 12 . 1 1 455 455 TYR HA H 455 5.111 5.111 4.630 0.481 19771 2835 1 12 . 1 1 455 455 TYR CA C 455 58.616 58.616 59.342 -0.726 19771 2836 1 12 . 1 1 455 455 TYR CB C 455 39.956 39.956 39.123 0.833 19771 2837 1 12 . 1 1 455 455 TYR H H 455 7.100 7.100 7.230 -0.130 19771 2838 1 12 . 1 1 456 456 PHE N N 456 117.529 117.529 118.546 -1.017 19771 2839 1 12 . 1 1 456 456 PHE HA H 456 6.342 6.342 5.101 1.241 19771 2840 1 12 . 1 1 456 456 PHE CA C 456 57.017 57.017 56.340 0.676 19771 2841 1 12 . 1 1 456 456 PHE CB C 456 45.138 45.138 43.886 1.252 19771 2842 1 12 . 1 1 456 456 PHE H H 456 9.527 9.527 9.093 0.434 19771 2843 1 12 . 1 1 457 457 CYS N N 457 119.575 119.575 117.238 2.337 19771 2844 1 12 . 1 1 457 457 CYS HA H 457 5.435 5.435 5.291 0.144 19771 2845 1 12 . 1 1 457 457 CYS CA C 457 58.044 58.044 56.835 1.209 19771 2846 1 12 . 1 1 457 457 CYS CB C 457 32.277 32.277 31.075 1.202 19771 2847 1 12 . 1 1 457 457 CYS H H 457 9.710 9.710 8.997 0.713 19771 2848 1 12 . 1 1 458 458 ARG N N 458 120.479 120.479 121.325 -0.846 19771 2849 1 12 . 1 1 458 458 ARG HA H 458 3.750 3.750 3.740 0.010 19771 2850 1 12 . 1 1 458 458 ARG CA C 458 60.863 60.863 59.198 1.665 19771 2851 1 12 . 1 1 458 458 ARG CB C 458 30.407 30.407 29.743 0.664 19771 2852 1 12 . 1 1 458 458 ARG H H 458 9.300 9.300 8.935 0.365 19771 2853 1 12 . 1 1 459 459 SER N N 459 114.502 114.502 113.373 1.129 19771 2854 1 12 . 1 1 459 459 SER HA H 459 4.424 4.424 4.029 0.395 19771 2855 1 12 . 1 1 459 459 SER CA C 459 62.116 62.116 60.918 1.198 19771 2856 1 12 . 1 1 459 459 SER CB C 459 62.828 62.828 62.814 0.014 19771 2857 1 12 . 1 1 459 459 SER H H 459 8.482 8.482 8.136 0.346 19771 2858 1 12 . 1 1 460 460 CYS N N 460 126.957 126.957 117.888 9.069 19771 2859 1 12 . 1 1 460 460 CYS HA H 460 4.402 4.402 4.036 0.366 19771 2860 1 12 . 1 1 460 460 CYS CA C 460 65.041 65.041 58.039 7.002 19771 2861 1 12 . 1 1 460 460 CYS CB C 460 30.694 30.694 26.303 4.391 19771 2862 1 12 . 1 1 460 460 CYS H H 460 9.474 9.474 7.399 2.075 19771 2863 1 12 . 1 1 461 461 TRP N N 461 121.032 121.032 123.674 -2.642 19771 2864 1 12 . 1 1 461 461 TRP HA H 461 3.259 3.259 3.847 -0.588 19771 2865 1 12 . 1 1 461 461 TRP CA C 461 62.794 62.794 60.619 2.175 19771 2866 1 12 . 1 1 461 461 TRP CB C 461 27.672 27.672 28.753 -1.081 19771 2867 1 12 . 1 1 461 461 TRP H H 461 9.553 9.553 8.290 1.263 19771 2868 1 12 . 1 1 462 462 HIS N N 462 119.358 119.358 114.900 4.458 19771 2869 1 12 . 1 1 462 462 HIS HA H 462 4.280 4.280 4.301 -0.021 19771 2870 1 12 . 1 1 462 462 HIS CA C 462 59.828 59.828 59.232 0.596 19771 2871 1 12 . 1 1 462 462 HIS CB C 462 30.330 30.330 29.382 0.948 19771 2872 1 12 . 1 1 462 462 HIS H H 462 8.007 8.007 7.234 0.773 19771 2873 1 12 . 1 1 463 463 TRP N N 463 121.005 121.005 118.655 2.350 19771 2874 1 12 . 1 1 463 463 TRP HA H 463 4.179 4.179 4.511 -0.332 19771 2875 1 12 . 1 1 463 463 TRP CA C 463 60.915 60.915 59.069 1.846 19771 2876 1 12 . 1 1 463 463 TRP CB C 463 28.556 28.556 28.415 0.141 19771 2877 1 12 . 1 1 463 463 TRP H H 463 8.146 8.146 7.437 0.709 19771 2878 1 12 . 1 1 464 464 ARG N N 464 117.937 117.937 114.518 3.419 19771 2879 1 12 . 1 1 464 464 ARG HA H 464 3.160 3.160 4.130 -0.970 19771 2880 1 12 . 1 1 464 464 ARG CA C 464 57.153 57.153 55.387 1.766 19771 2881 1 12 . 1 1 464 464 ARG CB C 464 29.998 29.998 30.101 -0.103 19771 2882 1 12 . 1 1 464 464 ARG H H 464 8.136 8.136 7.051 1.085 19771 2883 1 12 . 1 1 465 465 HIS N N 465 109.139 109.139 115.519 -6.380 19771 2884 1 12 . 1 1 465 465 HIS HA H 465 3.729 3.729 4.482 -0.753 19771 2885 1 12 . 1 1 465 465 HIS CA C 465 58.797 58.797 55.639 3.158 19771 2886 1 12 . 1 1 465 465 HIS CB C 465 25.377 25.377 31.168 -5.791 19771 2887 1 12 . 1 1 465 465 HIS H H 465 7.359 7.359 7.495 -0.136 19771 2888 1 12 . 1 1 466 466 SER N N 466 112.123 112.123 116.192 -4.069 19771 2889 1 12 . 1 1 466 466 SER HA H 466 4.273 4.273 4.315 -0.042 19771 2890 1 12 . 1 1 466 466 SER CA C 466 58.999 58.999 59.467 -0.468 19771 2891 1 12 . 1 1 466 466 SER CB C 466 63.431 63.431 63.368 0.063 19771 2892 1 12 . 1 1 466 466 SER H H 466 6.897 6.897 7.917 -1.020 19771 2893 1 12 . 1 1 467 467 MET N N 467 121.282 121.282 119.383 1.899 19771 2894 1 12 . 1 1 467 467 MET HA H 467 4.133 4.133 4.629 -0.496 19771 2895 1 12 . 1 1 467 467 MET CA C 467 55.435 55.435 56.120 -0.685 19771 2896 1 12 . 1 1 467 467 MET CB C 467 33.206 33.206 33.907 -0.701 19771 2897 1 12 . 1 1 467 467 MET H H 467 6.766 6.766 7.496 -0.730 19771 2898 1 12 . 1 1 468 468 GLU N N 468 122.864 122.864 121.908 0.956 19771 2899 1 12 . 1 1 468 468 GLU HA H 468 3.754 3.754 4.130 -0.376 19771 2900 1 12 . 1 1 468 468 GLU CA C 468 58.708 58.708 58.271 0.437 19771 2901 1 12 . 1 1 468 468 GLU CB C 468 29.457 29.457 28.147 1.310 19771 2902 1 12 . 1 1 468 468 GLU H H 468 8.455 8.455 8.850 -0.395 19771 2903 1 12 . 1 1 469 469 GLY N N 469 112.643 112.643 106.967 5.676 19771 2904 1 12 . 1 1 469 469 GLY CA C 469 45.398 45.398 45.760 -0.362 19771 2905 1 12 . 1 1 469 469 GLY H H 469 8.893 8.893 8.025 0.868 19771 2906 1 12 . 1 1 470 470 LEU N N 470 118.167 118.167 119.197 -1.030 19771 2907 1 12 . 1 1 470 470 LEU HA H 470 3.862 3.862 4.442 -0.580 19771 2908 1 12 . 1 1 470 470 LEU CA C 470 54.284 54.284 53.510 0.774 19771 2909 1 12 . 1 1 470 470 LEU CB C 470 42.923 42.923 42.244 0.679 19771 2910 1 12 . 1 1 470 470 LEU H H 470 7.642 7.642 7.335 0.307 19771 2911 1 12 . 1 1 471 471 ARG N N 471 115.958 115.958 118.965 -3.007 19771 2912 1 12 . 1 1 471 471 ARG HA H 471 4.328 4.328 4.220 0.108 19771 2913 1 12 . 1 1 471 471 ARG CA C 471 58.357 58.357 57.657 0.700 19771 2914 1 12 . 1 1 471 471 ARG CB C 471 30.183 30.183 29.564 0.619 19771 2915 1 12 . 1 1 471 471 ARG H H 471 7.256 7.256 7.806 -0.550 19771 2916 1 12 . 1 1 472 472 HIS N N 472 113.710 113.710 113.412 0.298 19771 2917 1 12 . 1 1 472 472 HIS HA H 472 4.635 4.635 4.729 -0.094 19771 2918 1 12 . 1 1 472 472 HIS CA C 472 56.199 56.199 55.396 0.803 19771 2919 1 12 . 1 1 472 472 HIS CB C 472 30.157 30.157 29.090 1.067 19771 2920 1 12 . 1 1 472 472 HIS H H 472 8.410 8.410 8.136 0.274 19771 2921 1 12 . 1 1 473 473 HIS N N 473 122.456 122.456 120.646 1.810 19771 2922 1 12 . 1 1 473 473 HIS HA H 473 4.418 4.418 4.446 -0.028 19771 2923 1 12 . 1 1 473 473 HIS CA C 473 55.485 55.485 56.230 -0.745 19771 2924 1 12 . 1 1 473 473 HIS CB C 473 31.291 31.291 30.512 0.779 19771 2925 1 12 . 1 1 473 473 HIS H H 473 6.899 6.899 7.100 -0.201 19771 2926 1 12 . 1 1 474 474 SER N N 474 117.590 117.590 116.647 0.943 19771 2927 1 12 . 1 1 474 474 SER HA H 474 5.065 5.065 4.881 0.184 19771 2928 1 12 . 1 1 474 474 SER CA C 474 55.164 55.164 56.043 -0.879 19771 2929 1 12 . 1 1 474 474 SER CB C 474 64.749 64.749 65.002 -0.253 19771 2930 1 12 . 1 1 474 474 SER H H 474 8.600 8.600 8.454 0.146 19771 2931 1 12 . 1 1 475 475 PRO HA H 475 4.258 4.258 4.151 0.107 19771 2932 1 12 . 1 1 475 475 PRO CA C 475 62.975 62.975 62.809 0.166 19771 2933 1 12 . 1 1 475 475 PRO CB C 475 31.696 31.696 32.306 -0.610 19771 2934 1 12 . 1 1 476 476 LEU N N 476 123.672 123.672 123.848 -0.176 19771 2935 1 12 . 1 1 476 476 LEU CB C 476 44.146 44.146 45.555 -1.409 19771 2936 1 12 . 1 1 476 476 LEU H H 476 8.843 8.843 8.741 0.102 19771 2937 1 12 . 1 1 477 477 MET N N 477 122.428 122.428 117.010 5.418 19771 2938 1 12 . 1 1 477 477 MET HA H 477 4.918 4.918 4.866 0.052 19771 2939 1 12 . 1 1 477 477 MET CA C 477 54.604 54.604 53.451 1.153 19771 2940 1 12 . 1 1 477 477 MET CB C 477 34.225 34.225 34.110 0.115 19771 2941 1 12 . 1 1 477 477 MET H H 477 8.564 8.564 8.174 0.390 19771 2942 1 12 . 1 1 478 478 ARG N N 478 123.419 123.419 121.510 1.909 19771 2943 1 12 . 1 1 478 478 ARG CB C 478 32.024 32.024 30.682 1.342 19771 2944 1 12 . 1 1 478 478 ARG H H 478 8.825 8.825 8.687 0.138 19771 2945 1 12 . 1 1 481 481 LYS N N 481 122.000 122.000 121.400 0.600 19771 2946 1 12 . 1 1 481 481 LYS H H 481 8.284 8.284 8.391 -0.107 19771 2947 1 12 . 1 1 482 482 ASN N N 482 119.466 119.466 119.467 -0.001 19771 2948 1 12 . 1 1 482 482 ASN H H 482 8.379 8.379 8.466 -0.087 19771 2949 1 12 . 1 1 483 483 ARG N N 483 121.400 121.400 120.348 1.052 19771 2950 1 12 . 1 1 483 483 ARG H H 483 8.302 8.302 8.457 -0.155 19771 2951 1 12 . 1 1 485 485 SER N N 485 115.800 115.800 116.616 -0.816 19771 2952 1 12 . 1 1 485 485 SER H H 485 8.112 8.112 8.568 -0.456 19771 2953 1 13 . 1 1 427 427 ASP N N 427 125.779 125.779 122.759 3.020 19771 2954 1 13 . 1 1 427 427 ASP HA H 427 4.829 4.829 4.937 -0.108 19771 2955 1 13 . 1 1 427 427 ASP CA C 427 52.150 52.150 53.108 -0.958 19771 2956 1 13 . 1 1 427 427 ASP CB C 427 41.537 41.537 42.740 -1.204 19771 2957 1 13 . 1 1 427 427 ASP H H 427 8.293 8.293 8.191 0.102 19771 2958 1 13 . 1 1 428 428 PRO HA H 428 4.229 4.229 4.409 -0.180 19771 2959 1 13 . 1 1 428 428 PRO CA C 428 63.337 63.337 63.882 -0.545 19771 2960 1 13 . 1 1 428 428 PRO CB C 428 32.019 32.019 32.168 -0.149 19771 2961 1 13 . 1 1 429 429 TYR N N 429 119.152 119.152 119.843 -0.691 19771 2962 1 13 . 1 1 429 429 TYR HA H 429 4.421 4.421 4.617 -0.196 19771 2963 1 13 . 1 1 429 429 TYR CA C 429 57.961 57.961 56.935 1.026 19771 2964 1 13 . 1 1 429 429 TYR CB C 429 37.968 37.968 40.741 -2.773 19771 2965 1 13 . 1 1 429 429 TYR H H 429 8.136 8.136 7.447 0.689 19771 2966 1 13 . 1 1 430 430 LEU N N 430 122.733 122.733 122.868 -0.135 19771 2967 1 13 . 1 1 430 430 LEU HA H 430 4.205 4.205 4.511 -0.306 19771 2968 1 13 . 1 1 430 430 LEU CA C 430 54.950 54.950 54.266 0.684 19771 2969 1 13 . 1 1 430 430 LEU CB C 430 42.474 42.474 45.354 -2.880 19771 2970 1 13 . 1 1 430 430 LEU H H 430 7.596 7.596 7.108 0.488 19771 2971 1 13 . 1 1 431 431 GLU N N 431 120.614 120.614 122.846 -2.232 19771 2972 1 13 . 1 1 431 431 GLU H H 431 8.157 8.157 8.449 -0.292 19771 2973 1 13 . 1 1 432 432 ASP HA H 432 4.387 4.387 4.698 -0.311 19771 2974 1 13 . 1 1 432 432 ASP CA C 432 54.365 54.365 53.545 0.820 19771 2975 1 13 . 1 1 432 432 ASP CB C 432 41.027 41.027 42.391 -1.364 19771 2976 1 13 . 1 1 433 433 SER N N 433 116.511 116.511 114.087 2.424 19771 2977 1 13 . 1 1 433 433 SER HA H 433 4.222 4.222 4.537 -0.315 19771 2978 1 13 . 1 1 433 433 SER CA C 433 57.811 57.811 57.733 0.078 19771 2979 1 13 . 1 1 433 433 SER CB C 433 64.342 64.342 64.474 -0.132 19771 2980 1 13 . 1 1 433 433 SER H H 433 7.926 7.926 8.119 -0.193 19771 2981 1 13 . 1 1 434 434 LEU N N 434 124.239 124.239 122.265 1.974 19771 2982 1 13 . 1 1 434 434 LEU HA H 434 4.301 4.301 4.536 -0.235 19771 2983 1 13 . 1 1 434 434 LEU CA C 434 54.780 54.780 53.371 1.409 19771 2984 1 13 . 1 1 434 434 LEU CB C 434 43.682 43.682 42.221 1.461 19771 2985 1 13 . 1 1 434 434 LEU H H 434 8.161 8.161 8.062 0.099 19771 2986 1 13 . 1 1 435 435 CYS N N 435 121.658 121.658 119.765 1.893 19771 2987 1 13 . 1 1 435 435 CYS HA H 435 3.767 3.767 4.379 -0.612 19771 2988 1 13 . 1 1 435 435 CYS CA C 435 60.505 60.505 59.417 1.088 19771 2989 1 13 . 1 1 435 435 CYS CB C 435 31.833 31.833 28.741 3.092 19771 2990 1 13 . 1 1 435 435 CYS H H 435 8.341 8.341 8.166 0.175 19771 2991 1 13 . 1 1 436 436 HIS N N 436 129.654 129.654 128.089 1.565 19771 2992 1 13 . 1 1 436 436 HIS HA H 436 4.436 4.436 4.646 -0.210 19771 2993 1 13 . 1 1 436 436 HIS CA C 436 58.775 58.775 57.580 1.195 19771 2994 1 13 . 1 1 436 436 HIS CB C 436 32.431 32.431 30.035 2.396 19771 2995 1 13 . 1 1 436 436 HIS H H 436 9.087 9.087 8.938 0.149 19771 2996 1 13 . 1 1 437 437 ILE N N 437 121.647 121.647 118.867 2.780 19771 2997 1 13 . 1 1 437 437 ILE HA H 437 4.122 4.122 4.392 -0.270 19771 2998 1 13 . 1 1 437 437 ILE CA C 437 61.632 61.632 61.858 -0.226 19771 2999 1 13 . 1 1 437 437 ILE CB C 437 35.149 35.149 39.331 -4.183 19771 3000 1 13 . 1 1 437 437 ILE H H 437 9.294 9.294 8.067 1.227 19771 3001 1 13 . 1 1 438 438 CYS N N 438 118.756 118.756 114.761 3.995 19771 3002 1 13 . 1 1 438 438 CYS HA H 438 4.719 4.719 4.948 -0.229 19771 3003 1 13 . 1 1 438 438 CYS CB C 438 31.931 31.931 29.695 2.236 19771 3004 1 13 . 1 1 438 438 CYS H H 438 8.503 8.503 8.055 0.448 19771 3005 1 13 . 1 1 439 439 SER N N 439 116.341 116.341 117.276 -0.935 19771 3006 1 13 . 1 1 439 439 SER HA H 439 4.348 4.348 4.185 0.163 19771 3007 1 13 . 1 1 439 439 SER CA C 439 60.131 60.131 59.757 0.374 19771 3008 1 13 . 1 1 439 439 SER CB C 439 62.642 62.642 61.086 1.556 19771 3009 1 13 . 1 1 439 439 SER H H 439 7.561 7.561 8.222 -0.661 19771 3010 1 13 . 1 1 440 440 SER N N 440 113.455 113.455 114.070 -0.615 19771 3011 1 13 . 1 1 440 440 SER HA H 440 4.777 4.777 4.582 0.195 19771 3012 1 13 . 1 1 440 440 SER CA C 440 58.703 58.703 58.434 0.269 19771 3013 1 13 . 1 1 440 440 SER CB C 440 65.681 65.681 64.491 1.190 19771 3014 1 13 . 1 1 440 440 SER H H 440 8.272 8.272 8.292 -0.020 19771 3015 1 13 . 1 1 441 441 GLN N N 441 118.674 118.674 119.864 -1.190 19771 3016 1 13 . 1 1 441 441 GLN HA H 441 4.865 4.865 4.817 0.048 19771 3017 1 13 . 1 1 441 441 GLN CA C 441 52.802 52.802 53.047 -0.245 19771 3018 1 13 . 1 1 441 441 GLN CB C 441 30.560 30.560 29.469 1.091 19771 3019 1 13 . 1 1 441 441 GLN H H 441 7.355 7.355 7.724 -0.369 19771 3020 1 13 . 1 1 442 442 PRO HA H 442 4.349 4.349 4.326 0.023 19771 3021 1 13 . 1 1 442 442 PRO CA C 442 63.693 63.693 63.529 0.164 19771 3022 1 13 . 1 1 442 442 PRO CB C 442 32.549 32.549 31.759 0.791 19771 3023 1 13 . 1 1 443 443 GLY N N 443 110.126 110.126 106.518 3.608 19771 3024 1 13 . 1 1 443 443 GLY CA C 443 46.097 46.097 45.060 1.037 19771 3025 1 13 . 1 1 443 443 GLY H H 443 8.819 8.819 8.217 0.602 19771 3026 1 13 . 1 1 444 444 PRO HA H 444 4.387 4.387 4.172 0.215 19771 3027 1 13 . 1 1 444 444 PRO CA C 444 63.025 63.025 63.905 -0.880 19771 3028 1 13 . 1 1 444 444 PRO CB C 444 32.737 32.737 31.936 0.801 19771 3029 1 13 . 1 1 445 445 PHE N N 445 116.262 116.262 116.452 -0.190 19771 3030 1 13 . 1 1 445 445 PHE HA H 445 4.962 4.962 4.908 0.054 19771 3031 1 13 . 1 1 445 445 PHE CA C 445 56.014 56.014 56.347 -0.333 19771 3032 1 13 . 1 1 445 445 PHE CB C 445 40.028 40.028 42.175 -2.147 19771 3033 1 13 . 1 1 445 445 PHE H H 445 8.066 8.066 7.898 0.168 19771 3034 1 13 . 1 1 446 446 PHE N N 446 126.081 126.081 120.904 5.177 19771 3035 1 13 . 1 1 446 446 PHE HA H 446 5.050 5.050 5.254 -0.204 19771 3036 1 13 . 1 1 446 446 PHE CA C 446 56.775 56.775 56.572 0.203 19771 3037 1 13 . 1 1 446 446 PHE CB C 446 41.731 41.731 43.037 -1.306 19771 3038 1 13 . 1 1 446 446 PHE H H 446 9.446 9.446 8.349 1.097 19771 3039 1 13 . 1 1 447 447 CYS N N 447 128.746 128.746 122.606 6.140 19771 3040 1 13 . 1 1 447 447 CYS HA H 447 4.874 4.874 5.048 -0.174 19771 3041 1 13 . 1 1 447 447 CYS CA C 447 58.263 58.263 56.550 1.713 19771 3042 1 13 . 1 1 447 447 CYS CB C 447 30.994 30.994 30.729 0.265 19771 3043 1 13 . 1 1 447 447 CYS H H 447 7.729 7.729 7.698 0.031 19771 3044 1 13 . 1 1 448 448 ARG N N 448 125.530 125.530 122.995 2.535 19771 3045 1 13 . 1 1 448 448 ARG HA H 448 4.080 4.080 4.618 -0.538 19771 3046 1 13 . 1 1 448 448 ARG CA C 448 55.854 55.854 56.770 -0.916 19771 3047 1 13 . 1 1 448 448 ARG CB C 448 31.200 31.200 30.896 0.304 19771 3048 1 13 . 1 1 448 448 ARG H H 448 8.783 8.783 8.787 -0.004 19771 3049 1 13 . 1 1 449 449 ASP N N 449 123.969 123.969 119.899 4.070 19771 3050 1 13 . 1 1 449 449 ASP HA H 449 4.155 4.155 4.712 -0.557 19771 3051 1 13 . 1 1 449 449 ASP CA C 449 56.118 56.118 53.298 2.820 19771 3052 1 13 . 1 1 449 449 ASP CB C 449 43.634 43.634 41.805 1.829 19771 3053 1 13 . 1 1 449 449 ASP H H 449 8.117 8.117 7.362 0.755 19771 3054 1 13 . 1 1 450 450 GLN N N 450 125.410 125.410 119.309 6.101 19771 3055 1 13 . 1 1 450 450 GLN HA H 450 3.832 3.832 4.100 -0.268 19771 3056 1 13 . 1 1 450 450 GLN CA C 450 59.127 59.127 57.457 1.670 19771 3057 1 13 . 1 1 450 450 GLN CB C 450 28.699 28.699 28.166 0.533 19771 3058 1 13 . 1 1 450 450 GLN H H 450 8.670 8.670 8.872 -0.202 19771 3059 1 13 . 1 1 451 451 VAL N N 451 113.164 113.164 109.987 3.177 19771 3060 1 13 . 1 1 451 451 VAL HA H 451 4.240 4.240 4.302 -0.062 19771 3061 1 13 . 1 1 451 451 VAL CA C 451 63.199 63.199 61.440 1.760 19771 3062 1 13 . 1 1 451 451 VAL CB C 451 31.439 31.439 32.094 -0.655 19771 3063 1 13 . 1 1 451 451 VAL H H 451 8.591 8.591 7.625 0.966 19771 3064 1 13 . 1 1 452 452 CYS N N 452 120.986 120.986 115.280 5.706 19771 3065 1 13 . 1 1 452 452 CYS HA H 452 4.502 4.502 4.954 -0.452 19771 3066 1 13 . 1 1 452 452 CYS CA C 452 60.474 60.474 56.853 3.621 19771 3067 1 13 . 1 1 452 452 CYS CB C 452 31.715 31.715 26.802 4.913 19771 3068 1 13 . 1 1 452 452 CYS H H 452 7.963 7.963 7.666 0.297 19771 3069 1 13 . 1 1 453 453 PHE N N 453 129.406 129.406 123.399 6.007 19771 3070 1 13 . 1 1 453 453 PHE HA H 453 4.121 4.121 4.526 -0.405 19771 3071 1 13 . 1 1 453 453 PHE CA C 453 59.700 59.700 57.505 2.195 19771 3072 1 13 . 1 1 453 453 PHE CB C 453 38.328 38.328 37.436 0.892 19771 3073 1 13 . 1 1 453 453 PHE H H 453 7.880 7.880 8.508 -0.628 19771 3074 1 13 . 1 1 454 454 LYS N N 454 113.628 113.628 117.873 -4.245 19771 3075 1 13 . 1 1 454 454 LYS HA H 454 4.423 4.423 4.175 0.248 19771 3076 1 13 . 1 1 454 454 LYS CA C 454 54.050 54.050 52.989 1.061 19771 3077 1 13 . 1 1 454 454 LYS CB C 454 37.833 37.833 35.575 2.258 19771 3078 1 13 . 1 1 454 454 LYS H H 454 6.384 6.384 7.320 -0.936 19771 3079 1 13 . 1 1 455 455 TYR N N 455 117.756 117.756 117.418 0.338 19771 3080 1 13 . 1 1 455 455 TYR HA H 455 5.111 5.111 4.987 0.124 19771 3081 1 13 . 1 1 455 455 TYR CA C 455 58.616 58.616 58.798 -0.182 19771 3082 1 13 . 1 1 455 455 TYR CB C 455 39.956 39.956 39.455 0.501 19771 3083 1 13 . 1 1 455 455 TYR H H 455 7.100 7.100 7.469 -0.369 19771 3084 1 13 . 1 1 456 456 PHE N N 456 117.529 117.529 117.506 0.023 19771 3085 1 13 . 1 1 456 456 PHE HA H 456 6.342 6.342 5.115 1.227 19771 3086 1 13 . 1 1 456 456 PHE CA C 456 57.017 57.017 56.615 0.401 19771 3087 1 13 . 1 1 456 456 PHE CB C 456 45.138 45.138 43.992 1.146 19771 3088 1 13 . 1 1 456 456 PHE H H 456 9.527 9.527 9.098 0.429 19771 3089 1 13 . 1 1 457 457 CYS N N 457 119.575 119.575 117.207 2.368 19771 3090 1 13 . 1 1 457 457 CYS HA H 457 5.435 5.435 5.228 0.207 19771 3091 1 13 . 1 1 457 457 CYS CA C 457 58.044 58.044 55.264 2.780 19771 3092 1 13 . 1 1 457 457 CYS CB C 457 32.277 32.277 31.102 1.175 19771 3093 1 13 . 1 1 457 457 CYS H H 457 9.710 9.710 8.756 0.954 19771 3094 1 13 . 1 1 458 458 ARG N N 458 120.479 120.479 120.498 -0.019 19771 3095 1 13 . 1 1 458 458 ARG HA H 458 3.750 3.750 3.731 0.019 19771 3096 1 13 . 1 1 458 458 ARG CA C 458 60.863 60.863 59.669 1.194 19771 3097 1 13 . 1 1 458 458 ARG CB C 458 30.407 30.407 29.932 0.475 19771 3098 1 13 . 1 1 458 458 ARG H H 458 9.300 9.300 8.982 0.318 19771 3099 1 13 . 1 1 459 459 SER N N 459 114.502 114.502 113.946 0.556 19771 3100 1 13 . 1 1 459 459 SER HA H 459 4.424 4.424 4.040 0.384 19771 3101 1 13 . 1 1 459 459 SER CA C 459 62.116 62.116 60.631 1.485 19771 3102 1 13 . 1 1 459 459 SER CB C 459 62.828 62.828 62.769 0.059 19771 3103 1 13 . 1 1 459 459 SER H H 459 8.482 8.482 8.004 0.478 19771 3104 1 13 . 1 1 460 460 CYS N N 460 126.957 126.957 119.653 7.304 19771 3105 1 13 . 1 1 460 460 CYS HA H 460 4.402 4.402 4.205 0.197 19771 3106 1 13 . 1 1 460 460 CYS CA C 460 65.041 65.041 60.459 4.582 19771 3107 1 13 . 1 1 460 460 CYS CB C 460 30.694 30.694 26.395 4.299 19771 3108 1 13 . 1 1 460 460 CYS H H 460 9.474 9.474 7.516 1.958 19771 3109 1 13 . 1 1 461 461 TRP N N 461 121.032 121.032 122.136 -1.104 19771 3110 1 13 . 1 1 461 461 TRP HA H 461 3.259 3.259 4.179 -0.920 19771 3111 1 13 . 1 1 461 461 TRP CA C 461 62.794 62.794 60.684 2.110 19771 3112 1 13 . 1 1 461 461 TRP CB C 461 27.672 27.672 29.001 -1.329 19771 3113 1 13 . 1 1 461 461 TRP H H 461 9.553 9.553 8.681 0.872 19771 3114 1 13 . 1 1 462 462 HIS N N 462 119.358 119.358 114.802 4.556 19771 3115 1 13 . 1 1 462 462 HIS HA H 462 4.280 4.280 4.516 -0.236 19771 3116 1 13 . 1 1 462 462 HIS CA C 462 59.828 59.828 58.875 0.953 19771 3117 1 13 . 1 1 462 462 HIS CB C 462 30.330 30.330 29.152 1.178 19771 3118 1 13 . 1 1 462 462 HIS H H 462 8.007 8.007 7.402 0.605 19771 3119 1 13 . 1 1 463 463 TRP N N 463 121.005 121.005 116.599 4.406 19771 3120 1 13 . 1 1 463 463 TRP HA H 463 4.179 4.179 4.684 -0.505 19771 3121 1 13 . 1 1 463 463 TRP CA C 463 60.915 60.915 57.170 3.745 19771 3122 1 13 . 1 1 463 463 TRP CB C 463 28.556 28.556 29.065 -0.509 19771 3123 1 13 . 1 1 463 463 TRP H H 463 8.146 8.146 7.241 0.905 19771 3124 1 13 . 1 1 464 464 ARG N N 464 117.937 117.937 115.212 2.725 19771 3125 1 13 . 1 1 464 464 ARG HA H 464 3.160 3.160 4.131 -0.971 19771 3126 1 13 . 1 1 464 464 ARG CA C 464 57.153 57.153 55.122 2.031 19771 3127 1 13 . 1 1 464 464 ARG CB C 464 29.998 29.998 29.943 0.055 19771 3128 1 13 . 1 1 464 464 ARG H H 464 8.136 8.136 7.210 0.926 19771 3129 1 13 . 1 1 465 465 HIS N N 465 109.139 109.139 115.745 -6.606 19771 3130 1 13 . 1 1 465 465 HIS HA H 465 3.729 3.729 4.572 -0.843 19771 3131 1 13 . 1 1 465 465 HIS CA C 465 58.797 58.797 54.971 3.826 19771 3132 1 13 . 1 1 465 465 HIS CB C 465 25.377 25.377 30.263 -4.886 19771 3133 1 13 . 1 1 465 465 HIS H H 465 7.359 7.359 7.520 -0.161 19771 3134 1 13 . 1 1 466 466 SER N N 466 112.123 112.123 115.758 -3.635 19771 3135 1 13 . 1 1 466 466 SER HA H 466 4.273 4.273 4.220 0.053 19771 3136 1 13 . 1 1 466 466 SER CA C 466 58.999 58.999 60.719 -1.720 19771 3137 1 13 . 1 1 466 466 SER CB C 466 63.431 63.431 63.133 0.298 19771 3138 1 13 . 1 1 466 466 SER H H 466 6.897 6.897 8.011 -1.114 19771 3139 1 13 . 1 1 467 467 MET N N 467 121.282 121.282 118.463 2.819 19771 3140 1 13 . 1 1 467 467 MET HA H 467 4.133 4.133 4.636 -0.503 19771 3141 1 13 . 1 1 467 467 MET CA C 467 55.435 55.435 55.816 -0.381 19771 3142 1 13 . 1 1 467 467 MET CB C 467 33.206 33.206 34.584 -1.378 19771 3143 1 13 . 1 1 467 467 MET H H 467 6.766 6.766 7.575 -0.809 19771 3144 1 13 . 1 1 468 468 GLU N N 468 122.864 122.864 122.636 0.228 19771 3145 1 13 . 1 1 468 468 GLU HA H 468 3.754 3.754 4.157 -0.403 19771 3146 1 13 . 1 1 468 468 GLU CA C 468 58.708 58.708 58.190 0.519 19771 3147 1 13 . 1 1 468 468 GLU CB C 468 29.457 29.457 28.321 1.136 19771 3148 1 13 . 1 1 468 468 GLU H H 468 8.455 8.455 8.838 -0.383 19771 3149 1 13 . 1 1 469 469 GLY N N 469 112.643 112.643 107.626 5.017 19771 3150 1 13 . 1 1 469 469 GLY CA C 469 45.398 45.398 45.608 -0.211 19771 3151 1 13 . 1 1 469 469 GLY H H 469 8.893 8.893 8.149 0.744 19771 3152 1 13 . 1 1 470 470 LEU N N 470 118.167 118.167 118.502 -0.335 19771 3153 1 13 . 1 1 470 470 LEU HA H 470 3.862 3.862 4.440 -0.578 19771 3154 1 13 . 1 1 470 470 LEU CA C 470 54.284 54.284 53.263 1.021 19771 3155 1 13 . 1 1 470 470 LEU CB C 470 42.923 42.923 41.529 1.394 19771 3156 1 13 . 1 1 470 470 LEU H H 470 7.642 7.642 7.257 0.385 19771 3157 1 13 . 1 1 471 471 ARG N N 471 115.958 115.958 119.356 -3.398 19771 3158 1 13 . 1 1 471 471 ARG HA H 471 4.328 4.328 4.163 0.165 19771 3159 1 13 . 1 1 471 471 ARG CA C 471 58.357 58.357 57.069 1.288 19771 3160 1 13 . 1 1 471 471 ARG CB C 471 30.183 30.183 29.456 0.727 19771 3161 1 13 . 1 1 471 471 ARG H H 471 7.256 7.256 7.674 -0.418 19771 3162 1 13 . 1 1 472 472 HIS N N 472 113.710 113.710 114.988 -1.278 19771 3163 1 13 . 1 1 472 472 HIS HA H 472 4.635 4.635 4.734 -0.099 19771 3164 1 13 . 1 1 472 472 HIS CA C 472 56.199 56.199 55.487 0.712 19771 3165 1 13 . 1 1 472 472 HIS CB C 472 30.157 30.157 29.230 0.927 19771 3166 1 13 . 1 1 472 472 HIS H H 472 8.410 8.410 7.987 0.423 19771 3167 1 13 . 1 1 473 473 HIS N N 473 122.456 122.456 119.341 3.115 19771 3168 1 13 . 1 1 473 473 HIS HA H 473 4.418 4.418 4.383 0.035 19771 3169 1 13 . 1 1 473 473 HIS CA C 473 55.485 55.485 56.158 -0.673 19771 3170 1 13 . 1 1 473 473 HIS CB C 473 31.291 31.291 30.604 0.687 19771 3171 1 13 . 1 1 473 473 HIS H H 473 6.899 6.899 7.182 -0.283 19771 3172 1 13 . 1 1 474 474 SER N N 474 117.590 117.590 116.560 1.030 19771 3173 1 13 . 1 1 474 474 SER HA H 474 5.065 5.065 4.964 0.101 19771 3174 1 13 . 1 1 474 474 SER CA C 474 55.164 55.164 55.352 -0.188 19771 3175 1 13 . 1 1 474 474 SER CB C 474 64.749 64.749 64.941 -0.192 19771 3176 1 13 . 1 1 474 474 SER H H 474 8.600 8.600 8.680 -0.080 19771 3177 1 13 . 1 1 475 475 PRO HA H 475 4.258 4.258 4.596 -0.338 19771 3178 1 13 . 1 1 475 475 PRO CA C 475 62.975 62.975 62.784 0.191 19771 3179 1 13 . 1 1 475 475 PRO CB C 475 31.696 31.696 32.126 -0.430 19771 3180 1 13 . 1 1 476 476 LEU N N 476 123.672 123.672 121.220 2.452 19771 3181 1 13 . 1 1 476 476 LEU CB C 476 44.146 44.146 46.535 -2.389 19771 3182 1 13 . 1 1 476 476 LEU H H 476 8.843 8.843 8.128 0.715 19771 3183 1 13 . 1 1 477 477 MET N N 477 122.428 122.428 119.696 2.732 19771 3184 1 13 . 1 1 477 477 MET HA H 477 4.918 4.918 4.773 0.145 19771 3185 1 13 . 1 1 477 477 MET CA C 477 54.604 54.604 54.296 0.308 19771 3186 1 13 . 1 1 477 477 MET CB C 477 34.225 34.225 35.270 -1.045 19771 3187 1 13 . 1 1 477 477 MET H H 477 8.564 8.564 8.229 0.335 19771 3188 1 13 . 1 1 478 478 ARG N N 478 123.419 123.419 122.609 0.810 19771 3189 1 13 . 1 1 478 478 ARG CB C 478 32.024 32.024 30.494 1.530 19771 3190 1 13 . 1 1 478 478 ARG H H 478 8.825 8.825 8.628 0.197 19771 3191 1 13 . 1 1 481 481 LYS N N 481 122.000 122.000 121.691 0.309 19771 3192 1 13 . 1 1 481 481 LYS H H 481 8.284 8.284 8.049 0.235 19771 3193 1 13 . 1 1 482 482 ASN N N 482 119.466 119.466 118.111 1.355 19771 3194 1 13 . 1 1 482 482 ASN H H 482 8.379 8.379 8.870 -0.491 19771 3195 1 13 . 1 1 483 483 ARG N N 483 121.400 121.400 120.357 1.043 19771 3196 1 13 . 1 1 483 483 ARG H H 483 8.302 8.302 8.733 -0.431 19771 3197 1 13 . 1 1 485 485 SER N N 485 115.800 115.800 116.730 -0.930 19771 3198 1 13 . 1 1 485 485 SER H H 485 8.112 8.112 8.445 -0.333 19771 3199 1 14 . 1 1 427 427 ASP N N 427 125.779 125.779 121.680 4.099 19771 3200 1 14 . 1 1 427 427 ASP HA H 427 4.829 4.829 5.182 -0.353 19771 3201 1 14 . 1 1 427 427 ASP CA C 427 52.150 52.150 51.566 0.584 19771 3202 1 14 . 1 1 427 427 ASP CB C 427 41.537 41.537 42.475 -0.938 19771 3203 1 14 . 1 1 427 427 ASP H H 427 8.293 8.293 8.959 -0.666 19771 3204 1 14 . 1 1 428 428 PRO HA H 428 4.229 4.229 4.450 -0.221 19771 3205 1 14 . 1 1 428 428 PRO CA C 428 63.337 63.337 63.490 -0.153 19771 3206 1 14 . 1 1 428 428 PRO CB C 428 32.019 32.019 32.331 -0.312 19771 3207 1 14 . 1 1 429 429 TYR N N 429 119.152 119.152 119.721 -0.569 19771 3208 1 14 . 1 1 429 429 TYR HA H 429 4.421 4.421 4.598 -0.177 19771 3209 1 14 . 1 1 429 429 TYR CA C 429 57.961 57.961 56.763 1.198 19771 3210 1 14 . 1 1 429 429 TYR CB C 429 37.968 37.968 40.855 -2.887 19771 3211 1 14 . 1 1 429 429 TYR H H 429 8.136 8.136 8.243 -0.107 19771 3212 1 14 . 1 1 430 430 LEU N N 430 122.733 122.733 122.053 0.680 19771 3213 1 14 . 1 1 430 430 LEU HA H 430 4.205 4.205 4.212 -0.007 19771 3214 1 14 . 1 1 430 430 LEU CA C 430 54.950 54.950 55.711 -0.761 19771 3215 1 14 . 1 1 430 430 LEU CB C 430 42.474 42.474 41.767 0.707 19771 3216 1 14 . 1 1 430 430 LEU H H 430 7.596 7.596 7.297 0.299 19771 3217 1 14 . 1 1 431 431 GLU N N 431 120.614 120.614 118.195 2.419 19771 3218 1 14 . 1 1 431 431 GLU H H 431 8.157 8.157 7.268 0.889 19771 3219 1 14 . 1 1 432 432 ASP HA H 432 4.387 4.387 4.552 -0.165 19771 3220 1 14 . 1 1 432 432 ASP CA C 432 54.365 54.365 53.793 0.572 19771 3221 1 14 . 1 1 432 432 ASP CB C 432 41.027 41.027 39.741 1.286 19771 3222 1 14 . 1 1 433 433 SER N N 433 116.511 116.511 114.479 2.032 19771 3223 1 14 . 1 1 433 433 SER HA H 433 4.222 4.222 4.349 -0.127 19771 3224 1 14 . 1 1 433 433 SER CA C 433 57.811 57.811 58.811 -1.000 19771 3225 1 14 . 1 1 433 433 SER CB C 433 64.342 64.342 63.073 1.269 19771 3226 1 14 . 1 1 433 433 SER H H 433 7.926 7.926 7.816 0.110 19771 3227 1 14 . 1 1 434 434 LEU N N 434 124.239 124.239 121.096 3.143 19771 3228 1 14 . 1 1 434 434 LEU HA H 434 4.301 4.301 4.269 0.032 19771 3229 1 14 . 1 1 434 434 LEU CA C 434 54.780 54.780 54.358 0.422 19771 3230 1 14 . 1 1 434 434 LEU CB C 434 43.682 43.682 41.970 1.712 19771 3231 1 14 . 1 1 434 434 LEU H H 434 8.161 8.161 7.441 0.720 19771 3232 1 14 . 1 1 435 435 CYS N N 435 121.658 121.658 119.500 2.158 19771 3233 1 14 . 1 1 435 435 CYS HA H 435 3.767 3.767 4.214 -0.447 19771 3234 1 14 . 1 1 435 435 CYS CA C 435 60.505 60.505 59.686 0.819 19771 3235 1 14 . 1 1 435 435 CYS CB C 435 31.833 31.833 27.927 3.906 19771 3236 1 14 . 1 1 435 435 CYS H H 435 8.341 8.341 8.206 0.135 19771 3237 1 14 . 1 1 436 436 HIS N N 436 129.654 129.654 128.575 1.079 19771 3238 1 14 . 1 1 436 436 HIS HA H 436 4.436 4.436 4.373 0.063 19771 3239 1 14 . 1 1 436 436 HIS CA C 436 58.775 58.775 58.224 0.551 19771 3240 1 14 . 1 1 436 436 HIS CB C 436 32.431 32.431 29.783 2.648 19771 3241 1 14 . 1 1 436 436 HIS H H 436 9.087 9.087 8.680 0.407 19771 3242 1 14 . 1 1 437 437 ILE N N 437 121.647 121.647 115.986 5.661 19771 3243 1 14 . 1 1 437 437 ILE HA H 437 4.122 4.122 4.225 -0.103 19771 3244 1 14 . 1 1 437 437 ILE CA C 437 61.632 61.632 61.283 0.349 19771 3245 1 14 . 1 1 437 437 ILE CB C 437 35.149 35.149 39.217 -4.068 19771 3246 1 14 . 1 1 437 437 ILE H H 437 9.294 9.294 7.586 1.708 19771 3247 1 14 . 1 1 438 438 CYS N N 438 118.756 118.756 118.775 -0.019 19771 3248 1 14 . 1 1 438 438 CYS HA H 438 4.719 4.719 4.731 -0.012 19771 3249 1 14 . 1 1 438 438 CYS CB C 438 31.931 31.931 29.059 2.872 19771 3250 1 14 . 1 1 438 438 CYS H H 438 8.503 8.503 7.846 0.657 19771 3251 1 14 . 1 1 439 439 SER N N 439 116.341 116.341 116.660 -0.319 19771 3252 1 14 . 1 1 439 439 SER HA H 439 4.348 4.348 4.161 0.187 19771 3253 1 14 . 1 1 439 439 SER CA C 439 60.131 60.131 59.728 0.403 19771 3254 1 14 . 1 1 439 439 SER CB C 439 62.642 62.642 61.737 0.905 19771 3255 1 14 . 1 1 439 439 SER H H 439 7.561 7.561 8.255 -0.694 19771 3256 1 14 . 1 1 440 440 SER N N 440 113.455 113.455 114.030 -0.575 19771 3257 1 14 . 1 1 440 440 SER HA H 440 4.777 4.777 4.556 0.221 19771 3258 1 14 . 1 1 440 440 SER CA C 440 58.703 58.703 59.135 -0.432 19771 3259 1 14 . 1 1 440 440 SER CB C 440 65.681 65.681 64.155 1.526 19771 3260 1 14 . 1 1 440 440 SER H H 440 8.272 8.272 8.210 0.062 19771 3261 1 14 . 1 1 441 441 GLN N N 441 118.674 118.674 117.853 0.821 19771 3262 1 14 . 1 1 441 441 GLN HA H 441 4.865 4.865 5.159 -0.294 19771 3263 1 14 . 1 1 441 441 GLN CA C 441 52.802 52.802 52.874 -0.072 19771 3264 1 14 . 1 1 441 441 GLN CB C 441 30.560 30.560 28.963 1.597 19771 3265 1 14 . 1 1 441 441 GLN H H 441 7.355 7.355 7.785 -0.430 19771 3266 1 14 . 1 1 442 442 PRO HA H 442 4.349 4.349 4.533 -0.184 19771 3267 1 14 . 1 1 442 442 PRO CA C 442 63.693 63.693 62.790 0.903 19771 3268 1 14 . 1 1 442 442 PRO CB C 442 32.549 32.549 30.893 1.656 19771 3269 1 14 . 1 1 443 443 GLY N N 443 110.126 110.126 112.133 -2.007 19771 3270 1 14 . 1 1 443 443 GLY CA C 443 46.097 46.097 43.563 2.534 19771 3271 1 14 . 1 1 443 443 GLY H H 443 8.819 8.819 7.835 0.984 19771 3272 1 14 . 1 1 444 444 PRO HA H 444 4.387 4.387 4.169 0.218 19771 3273 1 14 . 1 1 444 444 PRO CA C 444 63.025 63.025 63.530 -0.505 19771 3274 1 14 . 1 1 444 444 PRO CB C 444 32.737 32.737 31.684 1.052 19771 3275 1 14 . 1 1 445 445 PHE N N 445 116.262 116.262 117.813 -1.551 19771 3276 1 14 . 1 1 445 445 PHE HA H 445 4.962 4.962 4.792 0.170 19771 3277 1 14 . 1 1 445 445 PHE CA C 445 56.014 56.014 56.505 -0.491 19771 3278 1 14 . 1 1 445 445 PHE CB C 445 40.028 40.028 42.384 -2.356 19771 3279 1 14 . 1 1 445 445 PHE H H 445 8.066 8.066 7.715 0.351 19771 3280 1 14 . 1 1 446 446 PHE N N 446 126.081 126.081 121.683 4.398 19771 3281 1 14 . 1 1 446 446 PHE HA H 446 5.050 5.050 5.302 -0.252 19771 3282 1 14 . 1 1 446 446 PHE CA C 446 56.775 56.775 56.560 0.215 19771 3283 1 14 . 1 1 446 446 PHE CB C 446 41.731 41.731 42.827 -1.096 19771 3284 1 14 . 1 1 446 446 PHE H H 446 9.446 9.446 8.519 0.927 19771 3285 1 14 . 1 1 447 447 CYS N N 447 128.746 128.746 127.711 1.035 19771 3286 1 14 . 1 1 447 447 CYS HA H 447 4.874 4.874 5.070 -0.196 19771 3287 1 14 . 1 1 447 447 CYS CA C 447 58.263 58.263 56.493 1.770 19771 3288 1 14 . 1 1 447 447 CYS CB C 447 30.994 30.994 28.338 2.656 19771 3289 1 14 . 1 1 447 447 CYS H H 447 7.729 7.729 8.386 -0.657 19771 3290 1 14 . 1 1 448 448 ARG N N 448 125.530 125.530 126.257 -0.727 19771 3291 1 14 . 1 1 448 448 ARG HA H 448 4.080 4.080 4.580 -0.500 19771 3292 1 14 . 1 1 448 448 ARG CA C 448 55.854 55.854 56.097 -0.243 19771 3293 1 14 . 1 1 448 448 ARG CB C 448 31.200 31.200 30.013 1.187 19771 3294 1 14 . 1 1 448 448 ARG H H 448 8.783 8.783 8.389 0.394 19771 3295 1 14 . 1 1 449 449 ASP N N 449 123.969 123.969 121.540 2.429 19771 3296 1 14 . 1 1 449 449 ASP HA H 449 4.155 4.155 4.663 -0.508 19771 3297 1 14 . 1 1 449 449 ASP CA C 449 56.118 56.118 53.924 2.194 19771 3298 1 14 . 1 1 449 449 ASP CB C 449 43.634 43.634 41.761 1.873 19771 3299 1 14 . 1 1 449 449 ASP H H 449 8.117 8.117 7.343 0.774 19771 3300 1 14 . 1 1 450 450 GLN N N 450 125.410 125.410 121.518 3.892 19771 3301 1 14 . 1 1 450 450 GLN HA H 450 3.832 3.832 4.024 -0.192 19771 3302 1 14 . 1 1 450 450 GLN CA C 450 59.127 59.127 58.697 0.430 19771 3303 1 14 . 1 1 450 450 GLN CB C 450 28.699 28.699 28.601 0.098 19771 3304 1 14 . 1 1 450 450 GLN H H 450 8.670 8.670 8.838 -0.168 19771 3305 1 14 . 1 1 451 451 VAL N N 451 113.164 113.164 112.376 0.788 19771 3306 1 14 . 1 1 451 451 VAL HA H 451 4.240 4.240 4.231 0.009 19771 3307 1 14 . 1 1 451 451 VAL CA C 451 63.199 63.199 62.179 1.020 19771 3308 1 14 . 1 1 451 451 VAL CB C 451 31.439 31.439 31.505 -0.066 19771 3309 1 14 . 1 1 451 451 VAL H H 451 8.591 8.591 7.815 0.776 19771 3310 1 14 . 1 1 452 452 CYS N N 452 120.986 120.986 118.194 2.792 19771 3311 1 14 . 1 1 452 452 CYS HA H 452 4.502 4.502 4.878 -0.376 19771 3312 1 14 . 1 1 452 452 CYS CA C 452 60.474 60.474 59.836 0.638 19771 3313 1 14 . 1 1 452 452 CYS CB C 452 31.715 31.715 28.996 2.719 19771 3314 1 14 . 1 1 452 452 CYS H H 452 7.963 7.963 7.453 0.510 19771 3315 1 14 . 1 1 453 453 PHE N N 453 129.406 129.406 119.350 10.056 19771 3316 1 14 . 1 1 453 453 PHE HA H 453 4.121 4.121 4.007 0.114 19771 3317 1 14 . 1 1 453 453 PHE CA C 453 59.700 59.700 59.266 0.434 19771 3318 1 14 . 1 1 453 453 PHE CB C 453 38.328 38.328 37.652 0.676 19771 3319 1 14 . 1 1 453 453 PHE H H 453 7.880 7.880 7.957 -0.077 19771 3320 1 14 . 1 1 454 454 LYS N N 454 113.628 113.628 115.182 -1.554 19771 3321 1 14 . 1 1 454 454 LYS HA H 454 4.423 4.423 4.276 0.147 19771 3322 1 14 . 1 1 454 454 LYS CA C 454 54.050 54.050 53.701 0.349 19771 3323 1 14 . 1 1 454 454 LYS CB C 454 37.833 37.833 35.780 2.053 19771 3324 1 14 . 1 1 454 454 LYS H H 454 6.384 6.384 7.135 -0.751 19771 3325 1 14 . 1 1 455 455 TYR N N 455 117.756 117.756 117.260 0.496 19771 3326 1 14 . 1 1 455 455 TYR HA H 455 5.111 5.111 5.063 0.048 19771 3327 1 14 . 1 1 455 455 TYR CA C 455 58.616 58.616 58.841 -0.225 19771 3328 1 14 . 1 1 455 455 TYR CB C 455 39.956 39.956 39.676 0.280 19771 3329 1 14 . 1 1 455 455 TYR H H 455 7.100 7.100 8.623 -1.523 19771 3330 1 14 . 1 1 456 456 PHE N N 456 117.529 117.529 117.331 0.198 19771 3331 1 14 . 1 1 456 456 PHE HA H 456 6.342 6.342 5.146 1.196 19771 3332 1 14 . 1 1 456 456 PHE CA C 456 57.017 57.017 56.926 0.091 19771 3333 1 14 . 1 1 456 456 PHE CB C 456 45.138 45.138 44.338 0.800 19771 3334 1 14 . 1 1 456 456 PHE H H 456 9.527 9.527 9.073 0.454 19771 3335 1 14 . 1 1 457 457 CYS N N 457 119.575 119.575 116.782 2.793 19771 3336 1 14 . 1 1 457 457 CYS HA H 457 5.435 5.435 5.260 0.175 19771 3337 1 14 . 1 1 457 457 CYS CA C 457 58.044 58.044 56.623 1.421 19771 3338 1 14 . 1 1 457 457 CYS CB C 457 32.277 32.277 31.323 0.954 19771 3339 1 14 . 1 1 457 457 CYS H H 457 9.710 9.710 8.972 0.738 19771 3340 1 14 . 1 1 458 458 ARG N N 458 120.479 120.479 120.835 -0.356 19771 3341 1 14 . 1 1 458 458 ARG HA H 458 3.750 3.750 3.867 -0.117 19771 3342 1 14 . 1 1 458 458 ARG CA C 458 60.863 60.863 59.655 1.208 19771 3343 1 14 . 1 1 458 458 ARG CB C 458 30.407 30.407 30.026 0.381 19771 3344 1 14 . 1 1 458 458 ARG H H 458 9.300 9.300 8.972 0.328 19771 3345 1 14 . 1 1 459 459 SER N N 459 114.502 114.502 113.485 1.017 19771 3346 1 14 . 1 1 459 459 SER HA H 459 4.424 4.424 3.922 0.502 19771 3347 1 14 . 1 1 459 459 SER CA C 459 62.116 62.116 61.006 1.110 19771 3348 1 14 . 1 1 459 459 SER CB C 459 62.828 62.828 62.945 -0.117 19771 3349 1 14 . 1 1 459 459 SER H H 459 8.482 8.482 8.328 0.154 19771 3350 1 14 . 1 1 460 460 CYS N N 460 126.957 126.957 116.688 10.269 19771 3351 1 14 . 1 1 460 460 CYS HA H 460 4.402 4.402 4.248 0.154 19771 3352 1 14 . 1 1 460 460 CYS CA C 460 65.041 65.041 58.148 6.894 19771 3353 1 14 . 1 1 460 460 CYS CB C 460 30.694 30.694 26.719 3.975 19771 3354 1 14 . 1 1 460 460 CYS H H 460 9.474 9.474 7.472 2.002 19771 3355 1 14 . 1 1 461 461 TRP N N 461 121.032 121.032 123.786 -2.754 19771 3356 1 14 . 1 1 461 461 TRP HA H 461 3.259 3.259 4.041 -0.782 19771 3357 1 14 . 1 1 461 461 TRP CA C 461 62.794 62.794 60.878 1.916 19771 3358 1 14 . 1 1 461 461 TRP CB C 461 27.672 27.672 28.936 -1.264 19771 3359 1 14 . 1 1 461 461 TRP H H 461 9.553 9.553 8.610 0.943 19771 3360 1 14 . 1 1 462 462 HIS N N 462 119.358 119.358 115.682 3.676 19771 3361 1 14 . 1 1 462 462 HIS HA H 462 4.280 4.280 4.523 -0.243 19771 3362 1 14 . 1 1 462 462 HIS CA C 462 59.828 59.828 58.913 0.915 19771 3363 1 14 . 1 1 462 462 HIS CB C 462 30.330 30.330 29.348 0.982 19771 3364 1 14 . 1 1 462 462 HIS H H 462 8.007 8.007 7.423 0.584 19771 3365 1 14 . 1 1 463 463 TRP N N 463 121.005 121.005 119.219 1.786 19771 3366 1 14 . 1 1 463 463 TRP HA H 463 4.179 4.179 4.596 -0.417 19771 3367 1 14 . 1 1 463 463 TRP CA C 463 60.915 60.915 59.329 1.586 19771 3368 1 14 . 1 1 463 463 TRP CB C 463 28.556 28.556 28.491 0.065 19771 3369 1 14 . 1 1 463 463 TRP H H 463 8.146 8.146 7.546 0.600 19771 3370 1 14 . 1 1 464 464 ARG N N 464 117.937 117.937 114.751 3.186 19771 3371 1 14 . 1 1 464 464 ARG HA H 464 3.160 3.160 4.245 -1.085 19771 3372 1 14 . 1 1 464 464 ARG CA C 464 57.153 57.153 55.472 1.681 19771 3373 1 14 . 1 1 464 464 ARG CB C 464 29.998 29.998 30.272 -0.274 19771 3374 1 14 . 1 1 464 464 ARG H H 464 8.136 8.136 7.187 0.949 19771 3375 1 14 . 1 1 465 465 HIS N N 465 109.139 109.139 114.859 -5.720 19771 3376 1 14 . 1 1 465 465 HIS HA H 465 3.729 3.729 4.525 -0.796 19771 3377 1 14 . 1 1 465 465 HIS CA C 465 58.797 58.797 55.634 3.163 19771 3378 1 14 . 1 1 465 465 HIS CB C 465 25.377 25.377 30.878 -5.501 19771 3379 1 14 . 1 1 465 465 HIS H H 465 7.359 7.359 7.560 -0.201 19771 3380 1 14 . 1 1 466 466 SER N N 466 112.123 112.123 116.127 -4.004 19771 3381 1 14 . 1 1 466 466 SER HA H 466 4.273 4.273 4.321 -0.048 19771 3382 1 14 . 1 1 466 466 SER CA C 466 58.999 58.999 60.796 -1.797 19771 3383 1 14 . 1 1 466 466 SER CB C 466 63.431 63.431 63.692 -0.261 19771 3384 1 14 . 1 1 466 466 SER H H 466 6.897 6.897 8.082 -1.185 19771 3385 1 14 . 1 1 467 467 MET N N 467 121.282 121.282 119.014 2.268 19771 3386 1 14 . 1 1 467 467 MET HA H 467 4.133 4.133 4.643 -0.510 19771 3387 1 14 . 1 1 467 467 MET CA C 467 55.435 55.435 55.725 -0.290 19771 3388 1 14 . 1 1 467 467 MET CB C 467 33.206 33.206 33.809 -0.603 19771 3389 1 14 . 1 1 467 467 MET H H 467 6.766 6.766 7.490 -0.724 19771 3390 1 14 . 1 1 468 468 GLU N N 468 122.864 122.864 121.481 1.383 19771 3391 1 14 . 1 1 468 468 GLU HA H 468 3.754 3.754 4.150 -0.396 19771 3392 1 14 . 1 1 468 468 GLU CA C 468 58.708 58.708 58.599 0.110 19771 3393 1 14 . 1 1 468 468 GLU CB C 468 29.457 29.457 29.344 0.113 19771 3394 1 14 . 1 1 468 468 GLU H H 468 8.455 8.455 8.985 -0.530 19771 3395 1 14 . 1 1 469 469 GLY N N 469 112.643 112.643 106.673 5.970 19771 3396 1 14 . 1 1 469 469 GLY CA C 469 45.398 45.398 45.829 -0.431 19771 3397 1 14 . 1 1 469 469 GLY H H 469 8.893 8.893 8.124 0.769 19771 3398 1 14 . 1 1 470 470 LEU N N 470 118.167 118.167 118.832 -0.665 19771 3399 1 14 . 1 1 470 470 LEU HA H 470 3.862 3.862 4.483 -0.621 19771 3400 1 14 . 1 1 470 470 LEU CA C 470 54.284 54.284 53.139 1.145 19771 3401 1 14 . 1 1 470 470 LEU CB C 470 42.923 42.923 41.293 1.630 19771 3402 1 14 . 1 1 470 470 LEU H H 470 7.642 7.642 7.250 0.392 19771 3403 1 14 . 1 1 471 471 ARG N N 471 115.958 115.958 119.210 -3.252 19771 3404 1 14 . 1 1 471 471 ARG HA H 471 4.328 4.328 4.139 0.189 19771 3405 1 14 . 1 1 471 471 ARG CA C 471 58.357 58.357 57.212 1.145 19771 3406 1 14 . 1 1 471 471 ARG CB C 471 30.183 30.183 29.507 0.676 19771 3407 1 14 . 1 1 471 471 ARG H H 471 7.256 7.256 7.707 -0.451 19771 3408 1 14 . 1 1 472 472 HIS N N 472 113.710 113.710 114.325 -0.615 19771 3409 1 14 . 1 1 472 472 HIS HA H 472 4.635 4.635 4.776 -0.141 19771 3410 1 14 . 1 1 472 472 HIS CA C 472 56.199 56.199 55.252 0.947 19771 3411 1 14 . 1 1 472 472 HIS CB C 472 30.157 30.157 29.506 0.651 19771 3412 1 14 . 1 1 472 472 HIS H H 472 8.410 8.410 7.934 0.476 19771 3413 1 14 . 1 1 473 473 HIS N N 473 122.456 122.456 120.204 2.252 19771 3414 1 14 . 1 1 473 473 HIS HA H 473 4.418 4.418 4.543 -0.125 19771 3415 1 14 . 1 1 473 473 HIS CA C 473 55.485 55.485 56.267 -0.781 19771 3416 1 14 . 1 1 473 473 HIS CB C 473 31.291 31.291 30.412 0.879 19771 3417 1 14 . 1 1 473 473 HIS H H 473 6.899 6.899 7.125 -0.226 19771 3418 1 14 . 1 1 474 474 SER N N 474 117.590 117.590 116.427 1.163 19771 3419 1 14 . 1 1 474 474 SER HA H 474 5.065 5.065 5.011 0.054 19771 3420 1 14 . 1 1 474 474 SER CA C 474 55.164 55.164 56.006 -0.842 19771 3421 1 14 . 1 1 474 474 SER CB C 474 64.749 64.749 64.740 0.009 19771 3422 1 14 . 1 1 474 474 SER H H 474 8.600 8.600 8.400 0.200 19771 3423 1 14 . 1 1 475 475 PRO HA H 475 4.258 4.258 5.034 -0.776 19771 3424 1 14 . 1 1 475 475 PRO CA C 475 62.975 62.975 62.268 0.707 19771 3425 1 14 . 1 1 475 475 PRO CB C 475 31.696 31.696 32.303 -0.607 19771 3426 1 14 . 1 1 476 476 LEU N N 476 123.672 123.672 120.910 2.762 19771 3427 1 14 . 1 1 476 476 LEU CB C 476 44.146 44.146 46.087 -1.942 19771 3428 1 14 . 1 1 476 476 LEU H H 476 8.843 8.843 8.159 0.684 19771 3429 1 14 . 1 1 477 477 MET N N 477 122.428 122.428 122.005 0.423 19771 3430 1 14 . 1 1 477 477 MET HA H 477 4.918 4.918 4.835 0.084 19771 3431 1 14 . 1 1 477 477 MET CA C 477 54.604 54.604 55.173 -0.569 19771 3432 1 14 . 1 1 477 477 MET CB C 477 34.225 34.225 33.175 1.050 19771 3433 1 14 . 1 1 477 477 MET H H 477 8.564 8.564 8.842 -0.278 19771 3434 1 14 . 1 1 478 478 ARG N N 478 123.419 123.419 116.819 6.600 19771 3435 1 14 . 1 1 478 478 ARG CB C 478 32.024 32.024 28.052 3.972 19771 3436 1 14 . 1 1 478 478 ARG H H 478 8.825 8.825 8.375 0.450 19771 3437 1 14 . 1 1 481 481 LYS N N 481 122.000 122.000 120.152 1.848 19771 3438 1 14 . 1 1 481 481 LYS H H 481 8.284 8.284 8.499 -0.215 19771 3439 1 14 . 1 1 482 482 ASN N N 482 119.466 119.466 116.569 2.897 19771 3440 1 14 . 1 1 482 482 ASN H H 482 8.379 8.379 8.691 -0.312 19771 3441 1 14 . 1 1 483 483 ARG N N 483 121.400 121.400 119.051 2.349 19771 3442 1 14 . 1 1 483 483 ARG H H 483 8.302 8.302 7.778 0.524 19771 3443 1 14 . 1 1 485 485 SER N N 485 115.800 115.800 116.778 -0.978 19771 3444 1 14 . 1 1 485 485 SER H H 485 8.112 8.112 8.454 -0.342 19771 3445 1 15 . 1 1 427 427 ASP N N 427 125.779 125.779 122.076 3.703 19771 3446 1 15 . 1 1 427 427 ASP HA H 427 4.829 4.829 4.927 -0.098 19771 3447 1 15 . 1 1 427 427 ASP CA C 427 52.150 52.150 52.691 -0.541 19771 3448 1 15 . 1 1 427 427 ASP CB C 427 41.537 41.537 42.416 -0.879 19771 3449 1 15 . 1 1 427 427 ASP H H 427 8.293 8.293 7.978 0.315 19771 3450 1 15 . 1 1 428 428 PRO HA H 428 4.229 4.229 4.377 -0.148 19771 3451 1 15 . 1 1 428 428 PRO CA C 428 63.337 63.337 62.480 0.858 19771 3452 1 15 . 1 1 428 428 PRO CB C 428 32.019 32.019 32.118 -0.099 19771 3453 1 15 . 1 1 429 429 TYR N N 429 119.152 119.152 120.347 -1.195 19771 3454 1 15 . 1 1 429 429 TYR HA H 429 4.421 4.421 4.384 0.037 19771 3455 1 15 . 1 1 429 429 TYR CA C 429 57.961 57.961 58.953 -0.992 19771 3456 1 15 . 1 1 429 429 TYR CB C 429 37.968 37.968 37.794 0.174 19771 3457 1 15 . 1 1 429 429 TYR H H 429 8.136 8.136 8.196 -0.060 19771 3458 1 15 . 1 1 430 430 LEU N N 430 122.733 122.733 122.477 0.256 19771 3459 1 15 . 1 1 430 430 LEU HA H 430 4.205 4.205 4.225 -0.020 19771 3460 1 15 . 1 1 430 430 LEU CA C 430 54.950 54.950 55.490 -0.540 19771 3461 1 15 . 1 1 430 430 LEU CB C 430 42.474 42.474 41.297 1.177 19771 3462 1 15 . 1 1 430 430 LEU H H 430 7.596 7.596 7.545 0.051 19771 3463 1 15 . 1 1 431 431 GLU N N 431 120.614 120.614 116.879 3.735 19771 3464 1 15 . 1 1 431 431 GLU H H 431 8.157 8.157 7.545 0.612 19771 3465 1 15 . 1 1 432 432 ASP HA H 432 4.387 4.387 4.661 -0.274 19771 3466 1 15 . 1 1 432 432 ASP CA C 432 54.365 54.365 54.430 -0.065 19771 3467 1 15 . 1 1 432 432 ASP CB C 432 41.027 41.027 41.789 -0.763 19771 3468 1 15 . 1 1 433 433 SER N N 433 116.511 116.511 116.090 0.421 19771 3469 1 15 . 1 1 433 433 SER HA H 433 4.222 4.222 4.476 -0.254 19771 3470 1 15 . 1 1 433 433 SER CA C 433 57.811 57.811 58.382 -0.571 19771 3471 1 15 . 1 1 433 433 SER CB C 433 64.342 64.342 64.170 0.172 19771 3472 1 15 . 1 1 433 433 SER H H 433 7.926 7.926 7.456 0.470 19771 3473 1 15 . 1 1 434 434 LEU N N 434 124.239 124.239 120.727 3.512 19771 3474 1 15 . 1 1 434 434 LEU HA H 434 4.301 4.301 5.039 -0.738 19771 3475 1 15 . 1 1 434 434 LEU CA C 434 54.780 54.780 53.026 1.754 19771 3476 1 15 . 1 1 434 434 LEU CB C 434 43.682 43.682 43.479 0.203 19771 3477 1 15 . 1 1 434 434 LEU H H 434 8.161 8.161 8.144 0.017 19771 3478 1 15 . 1 1 435 435 CYS N N 435 121.658 121.658 120.537 1.121 19771 3479 1 15 . 1 1 435 435 CYS HA H 435 3.767 3.767 4.321 -0.554 19771 3480 1 15 . 1 1 435 435 CYS CA C 435 60.505 60.505 59.401 1.103 19771 3481 1 15 . 1 1 435 435 CYS CB C 435 31.833 31.833 27.522 4.311 19771 3482 1 15 . 1 1 435 435 CYS H H 435 8.341 8.341 8.494 -0.153 19771 3483 1 15 . 1 1 436 436 HIS N N 436 129.654 129.654 127.816 1.838 19771 3484 1 15 . 1 1 436 436 HIS HA H 436 4.436 4.436 4.568 -0.132 19771 3485 1 15 . 1 1 436 436 HIS CA C 436 58.775 58.775 57.177 1.598 19771 3486 1 15 . 1 1 436 436 HIS CB C 436 32.431 32.431 29.735 2.696 19771 3487 1 15 . 1 1 436 436 HIS H H 436 9.087 9.087 8.727 0.360 19771 3488 1 15 . 1 1 437 437 ILE N N 437 121.647 121.647 116.365 5.282 19771 3489 1 15 . 1 1 437 437 ILE HA H 437 4.122 4.122 4.448 -0.326 19771 3490 1 15 . 1 1 437 437 ILE CA C 437 61.632 61.632 61.568 0.064 19771 3491 1 15 . 1 1 437 437 ILE CB C 437 35.149 35.149 39.696 -4.547 19771 3492 1 15 . 1 1 437 437 ILE H H 437 9.294 9.294 7.856 1.438 19771 3493 1 15 . 1 1 438 438 CYS N N 438 118.756 118.756 118.581 0.175 19771 3494 1 15 . 1 1 438 438 CYS HA H 438 4.719 4.719 4.814 -0.095 19771 3495 1 15 . 1 1 438 438 CYS CB C 438 31.931 31.931 28.979 2.953 19771 3496 1 15 . 1 1 438 438 CYS H H 438 8.503 8.503 7.996 0.507 19771 3497 1 15 . 1 1 439 439 SER N N 439 116.341 116.341 116.435 -0.094 19771 3498 1 15 . 1 1 439 439 SER HA H 439 4.348 4.348 4.191 0.157 19771 3499 1 15 . 1 1 439 439 SER CA C 439 60.131 60.131 60.148 -0.017 19771 3500 1 15 . 1 1 439 439 SER CB C 439 62.642 62.642 61.303 1.339 19771 3501 1 15 . 1 1 439 439 SER H H 439 7.561 7.561 8.413 -0.852 19771 3502 1 15 . 1 1 440 440 SER N N 440 113.455 113.455 109.600 3.855 19771 3503 1 15 . 1 1 440 440 SER HA H 440 4.777 4.777 4.528 0.249 19771 3504 1 15 . 1 1 440 440 SER CA C 440 58.703 58.703 58.368 0.335 19771 3505 1 15 . 1 1 440 440 SER CB C 440 65.681 65.681 64.491 1.190 19771 3506 1 15 . 1 1 440 440 SER H H 440 8.272 8.272 8.329 -0.057 19771 3507 1 15 . 1 1 441 441 GLN N N 441 118.674 118.674 120.678 -2.004 19771 3508 1 15 . 1 1 441 441 GLN HA H 441 4.865 4.865 4.800 0.065 19771 3509 1 15 . 1 1 441 441 GLN CA C 441 52.802 52.802 53.123 -0.321 19771 3510 1 15 . 1 1 441 441 GLN CB C 441 30.560 30.560 29.769 0.791 19771 3511 1 15 . 1 1 441 441 GLN H H 441 7.355 7.355 7.621 -0.266 19771 3512 1 15 . 1 1 442 442 PRO HA H 442 4.349 4.349 4.508 -0.159 19771 3513 1 15 . 1 1 442 442 PRO CA C 442 63.693 63.693 63.578 0.115 19771 3514 1 15 . 1 1 442 442 PRO CB C 442 32.549 32.549 31.816 0.733 19771 3515 1 15 . 1 1 443 443 GLY N N 443 110.126 110.126 106.146 3.980 19771 3516 1 15 . 1 1 443 443 GLY CA C 443 46.097 46.097 44.843 1.254 19771 3517 1 15 . 1 1 443 443 GLY H H 443 8.819 8.819 8.424 0.395 19771 3518 1 15 . 1 1 444 444 PRO HA H 444 4.387 4.387 4.110 0.277 19771 3519 1 15 . 1 1 444 444 PRO CA C 444 63.025 63.025 63.809 -0.783 19771 3520 1 15 . 1 1 444 444 PRO CB C 444 32.737 32.737 31.410 1.327 19771 3521 1 15 . 1 1 445 445 PHE N N 445 116.262 116.262 117.095 -0.833 19771 3522 1 15 . 1 1 445 445 PHE HA H 445 4.962 4.962 5.421 -0.459 19771 3523 1 15 . 1 1 445 445 PHE CA C 445 56.014 56.014 55.991 0.023 19771 3524 1 15 . 1 1 445 445 PHE CB C 445 40.028 40.028 42.628 -2.600 19771 3525 1 15 . 1 1 445 445 PHE H H 445 8.066 8.066 7.916 0.150 19771 3526 1 15 . 1 1 446 446 PHE N N 446 126.081 126.081 121.167 4.914 19771 3527 1 15 . 1 1 446 446 PHE HA H 446 5.050 5.050 5.432 -0.382 19771 3528 1 15 . 1 1 446 446 PHE CA C 446 56.775 56.775 56.850 -0.075 19771 3529 1 15 . 1 1 446 446 PHE CB C 446 41.731 41.731 43.267 -1.536 19771 3530 1 15 . 1 1 446 446 PHE H H 446 9.446 9.446 8.343 1.103 19771 3531 1 15 . 1 1 447 447 CYS N N 447 128.746 128.746 123.639 5.107 19771 3532 1 15 . 1 1 447 447 CYS HA H 447 4.874 4.874 5.055 -0.181 19771 3533 1 15 . 1 1 447 447 CYS CA C 447 58.263 58.263 57.231 1.032 19771 3534 1 15 . 1 1 447 447 CYS CB C 447 30.994 30.994 31.211 -0.217 19771 3535 1 15 . 1 1 447 447 CYS H H 447 7.729 7.729 7.705 0.024 19771 3536 1 15 . 1 1 448 448 ARG N N 448 125.530 125.530 121.577 3.953 19771 3537 1 15 . 1 1 448 448 ARG HA H 448 4.080 4.080 4.664 -0.584 19771 3538 1 15 . 1 1 448 448 ARG CA C 448 55.854 55.854 55.983 -0.129 19771 3539 1 15 . 1 1 448 448 ARG CB C 448 31.200 31.200 30.817 0.383 19771 3540 1 15 . 1 1 448 448 ARG H H 448 8.783 8.783 8.591 0.192 19771 3541 1 15 . 1 1 449 449 ASP N N 449 123.969 123.969 120.260 3.709 19771 3542 1 15 . 1 1 449 449 ASP HA H 449 4.155 4.155 4.759 -0.604 19771 3543 1 15 . 1 1 449 449 ASP CA C 449 56.118 56.118 53.440 2.678 19771 3544 1 15 . 1 1 449 449 ASP CB C 449 43.634 43.634 41.751 1.883 19771 3545 1 15 . 1 1 449 449 ASP H H 449 8.117 8.117 7.520 0.597 19771 3546 1 15 . 1 1 450 450 GLN N N 450 125.410 125.410 119.544 5.866 19771 3547 1 15 . 1 1 450 450 GLN HA H 450 3.832 3.832 4.077 -0.245 19771 3548 1 15 . 1 1 450 450 GLN CA C 450 59.127 59.127 58.004 1.123 19771 3549 1 15 . 1 1 450 450 GLN CB C 450 28.699 28.699 28.465 0.234 19771 3550 1 15 . 1 1 450 450 GLN H H 450 8.670 8.670 8.794 -0.124 19771 3551 1 15 . 1 1 451 451 VAL N N 451 113.164 113.164 110.086 3.078 19771 3552 1 15 . 1 1 451 451 VAL HA H 451 4.240 4.240 4.327 -0.087 19771 3553 1 15 . 1 1 451 451 VAL CA C 451 63.199 63.199 61.549 1.650 19771 3554 1 15 . 1 1 451 451 VAL CB C 451 31.439 31.439 32.214 -0.775 19771 3555 1 15 . 1 1 451 451 VAL H H 451 8.591 8.591 7.611 0.980 19771 3556 1 15 . 1 1 452 452 CYS N N 452 120.986 120.986 113.778 7.208 19771 3557 1 15 . 1 1 452 452 CYS HA H 452 4.502 4.502 5.005 -0.503 19771 3558 1 15 . 1 1 452 452 CYS CA C 452 60.474 60.474 57.237 3.237 19771 3559 1 15 . 1 1 452 452 CYS CB C 452 31.715 31.715 27.048 4.667 19771 3560 1 15 . 1 1 452 452 CYS H H 452 7.963 7.963 7.734 0.229 19771 3561 1 15 . 1 1 453 453 PHE N N 453 129.406 129.406 123.407 5.999 19771 3562 1 15 . 1 1 453 453 PHE HA H 453 4.121 4.121 4.455 -0.334 19771 3563 1 15 . 1 1 453 453 PHE CA C 453 59.700 59.700 57.532 2.168 19771 3564 1 15 . 1 1 453 453 PHE CB C 453 38.328 38.328 37.276 1.052 19771 3565 1 15 . 1 1 453 453 PHE H H 453 7.880 7.880 8.709 -0.829 19771 3566 1 15 . 1 1 454 454 LYS N N 454 113.628 113.628 118.601 -4.973 19771 3567 1 15 . 1 1 454 454 LYS HA H 454 4.423 4.423 4.340 0.083 19771 3568 1 15 . 1 1 454 454 LYS CA C 454 54.050 54.050 53.441 0.609 19771 3569 1 15 . 1 1 454 454 LYS CB C 454 37.833 37.833 36.559 1.274 19771 3570 1 15 . 1 1 454 454 LYS H H 454 6.384 6.384 7.379 -0.995 19771 3571 1 15 . 1 1 455 455 TYR N N 455 117.756 117.756 117.598 0.158 19771 3572 1 15 . 1 1 455 455 TYR HA H 455 5.111 5.111 5.004 0.107 19771 3573 1 15 . 1 1 455 455 TYR CA C 455 58.616 58.616 58.766 -0.149 19771 3574 1 15 . 1 1 455 455 TYR CB C 455 39.956 39.956 38.892 1.064 19771 3575 1 15 . 1 1 455 455 TYR H H 455 7.100 7.100 7.029 0.071 19771 3576 1 15 . 1 1 456 456 PHE N N 456 117.529 117.529 118.985 -1.456 19771 3577 1 15 . 1 1 456 456 PHE HA H 456 6.342 6.342 5.119 1.223 19771 3578 1 15 . 1 1 456 456 PHE CA C 456 57.017 57.017 56.395 0.622 19771 3579 1 15 . 1 1 456 456 PHE CB C 456 45.138 45.138 44.063 1.075 19771 3580 1 15 . 1 1 456 456 PHE H H 456 9.527 9.527 9.114 0.413 19771 3581 1 15 . 1 1 457 457 CYS N N 457 119.575 119.575 117.385 2.190 19771 3582 1 15 . 1 1 457 457 CYS HA H 457 5.435 5.435 5.139 0.296 19771 3583 1 15 . 1 1 457 457 CYS CA C 457 58.044 58.044 56.961 1.083 19771 3584 1 15 . 1 1 457 457 CYS CB C 457 32.277 32.277 31.595 0.682 19771 3585 1 15 . 1 1 457 457 CYS H H 457 9.710 9.710 8.991 0.719 19771 3586 1 15 . 1 1 458 458 ARG N N 458 120.479 120.479 121.043 -0.564 19771 3587 1 15 . 1 1 458 458 ARG HA H 458 3.750 3.750 3.807 -0.057 19771 3588 1 15 . 1 1 458 458 ARG CA C 458 60.863 60.863 59.953 0.910 19771 3589 1 15 . 1 1 458 458 ARG CB C 458 30.407 30.407 30.206 0.201 19771 3590 1 15 . 1 1 458 458 ARG H H 458 9.300 9.300 8.923 0.377 19771 3591 1 15 . 1 1 459 459 SER N N 459 114.502 114.502 113.249 1.253 19771 3592 1 15 . 1 1 459 459 SER HA H 459 4.424 4.424 4.024 0.400 19771 3593 1 15 . 1 1 459 459 SER CA C 459 62.116 62.116 60.743 1.373 19771 3594 1 15 . 1 1 459 459 SER CB C 459 62.828 62.828 62.879 -0.051 19771 3595 1 15 . 1 1 459 459 SER H H 459 8.482 8.482 8.217 0.265 19771 3596 1 15 . 1 1 460 460 CYS N N 460 126.957 126.957 117.681 9.276 19771 3597 1 15 . 1 1 460 460 CYS HA H 460 4.402 4.402 4.143 0.259 19771 3598 1 15 . 1 1 460 460 CYS CA C 460 65.041 65.041 58.008 7.032 19771 3599 1 15 . 1 1 460 460 CYS CB C 460 30.694 30.694 26.390 4.304 19771 3600 1 15 . 1 1 460 460 CYS H H 460 9.474 9.474 7.528 1.946 19771 3601 1 15 . 1 1 461 461 TRP N N 461 121.032 121.032 123.631 -2.599 19771 3602 1 15 . 1 1 461 461 TRP HA H 461 3.259 3.259 4.076 -0.817 19771 3603 1 15 . 1 1 461 461 TRP CA C 461 62.794 62.794 60.796 1.998 19771 3604 1 15 . 1 1 461 461 TRP CB C 461 27.672 27.672 28.922 -1.250 19771 3605 1 15 . 1 1 461 461 TRP H H 461 9.553 9.553 8.440 1.113 19771 3606 1 15 . 1 1 462 462 HIS N N 462 119.358 119.358 115.919 3.439 19771 3607 1 15 . 1 1 462 462 HIS HA H 462 4.280 4.280 4.457 -0.177 19771 3608 1 15 . 1 1 462 462 HIS CA C 462 59.828 59.828 58.995 0.833 19771 3609 1 15 . 1 1 462 462 HIS CB C 462 30.330 30.330 29.206 1.124 19771 3610 1 15 . 1 1 462 462 HIS H H 462 8.007 8.007 7.392 0.615 19771 3611 1 15 . 1 1 463 463 TRP N N 463 121.005 121.005 117.253 3.752 19771 3612 1 15 . 1 1 463 463 TRP HA H 463 4.179 4.179 4.616 -0.437 19771 3613 1 15 . 1 1 463 463 TRP CA C 463 60.915 60.915 57.888 3.027 19771 3614 1 15 . 1 1 463 463 TRP CB C 463 28.556 28.556 28.359 0.197 19771 3615 1 15 . 1 1 463 463 TRP H H 463 8.146 8.146 7.425 0.721 19771 3616 1 15 . 1 1 464 464 ARG N N 464 117.937 117.937 115.133 2.804 19771 3617 1 15 . 1 1 464 464 ARG HA H 464 3.160 3.160 4.180 -1.020 19771 3618 1 15 . 1 1 464 464 ARG CA C 464 57.153 57.153 55.302 1.851 19771 3619 1 15 . 1 1 464 464 ARG CB C 464 29.998 29.998 29.941 0.057 19771 3620 1 15 . 1 1 464 464 ARG H H 464 8.136 8.136 7.159 0.977 19771 3621 1 15 . 1 1 465 465 HIS N N 465 109.139 109.139 115.727 -6.588 19771 3622 1 15 . 1 1 465 465 HIS HA H 465 3.729 3.729 4.614 -0.885 19771 3623 1 15 . 1 1 465 465 HIS CA C 465 58.797 58.797 55.649 3.148 19771 3624 1 15 . 1 1 465 465 HIS CB C 465 25.377 25.377 30.967 -5.590 19771 3625 1 15 . 1 1 465 465 HIS H H 465 7.359 7.359 7.167 0.192 19771 3626 1 15 . 1 1 466 466 SER N N 466 112.123 112.123 116.204 -4.081 19771 3627 1 15 . 1 1 466 466 SER HA H 466 4.273 4.273 4.280 -0.007 19771 3628 1 15 . 1 1 466 466 SER CA C 466 58.999 58.999 60.811 -1.812 19771 3629 1 15 . 1 1 466 466 SER CB C 466 63.431 63.431 63.404 0.027 19771 3630 1 15 . 1 1 466 466 SER H H 466 6.897 6.897 7.854 -0.957 19771 3631 1 15 . 1 1 467 467 MET N N 467 121.282 121.282 118.988 2.294 19771 3632 1 15 . 1 1 467 467 MET HA H 467 4.133 4.133 4.601 -0.468 19771 3633 1 15 . 1 1 467 467 MET CA C 467 55.435 55.435 56.141 -0.706 19771 3634 1 15 . 1 1 467 467 MET CB C 467 33.206 33.206 33.860 -0.654 19771 3635 1 15 . 1 1 467 467 MET H H 467 6.766 6.766 7.668 -0.902 19771 3636 1 15 . 1 1 468 468 GLU N N 468 122.864 122.864 122.683 0.181 19771 3637 1 15 . 1 1 468 468 GLU HA H 468 3.754 3.754 4.147 -0.393 19771 3638 1 15 . 1 1 468 468 GLU CA C 468 58.708 58.708 58.339 0.369 19771 3639 1 15 . 1 1 468 468 GLU CB C 468 29.457 29.457 29.161 0.296 19771 3640 1 15 . 1 1 468 468 GLU H H 468 8.455 8.455 8.905 -0.450 19771 3641 1 15 . 1 1 469 469 GLY N N 469 112.643 112.643 106.297 6.346 19771 3642 1 15 . 1 1 469 469 GLY CA C 469 45.398 45.398 45.717 -0.319 19771 3643 1 15 . 1 1 469 469 GLY H H 469 8.893 8.893 8.160 0.733 19771 3644 1 15 . 1 1 470 470 LEU N N 470 118.167 118.167 117.949 0.218 19771 3645 1 15 . 1 1 470 470 LEU HA H 470 3.862 3.862 4.466 -0.604 19771 3646 1 15 . 1 1 470 470 LEU CA C 470 54.284 54.284 53.353 0.931 19771 3647 1 15 . 1 1 470 470 LEU CB C 470 42.923 42.923 42.000 0.923 19771 3648 1 15 . 1 1 470 470 LEU H H 470 7.642 7.642 7.351 0.291 19771 3649 1 15 . 1 1 471 471 ARG N N 471 115.958 115.958 119.700 -3.742 19771 3650 1 15 . 1 1 471 471 ARG HA H 471 4.328 4.328 4.148 0.180 19771 3651 1 15 . 1 1 471 471 ARG CA C 471 58.357 58.357 57.628 0.729 19771 3652 1 15 . 1 1 471 471 ARG CB C 471 30.183 30.183 30.066 0.117 19771 3653 1 15 . 1 1 471 471 ARG H H 471 7.256 7.256 8.056 -0.800 19771 3654 1 15 . 1 1 472 472 HIS N N 472 113.710 113.710 113.364 0.346 19771 3655 1 15 . 1 1 472 472 HIS HA H 472 4.635 4.635 4.649 -0.014 19771 3656 1 15 . 1 1 472 472 HIS CA C 472 56.199 56.199 55.923 0.276 19771 3657 1 15 . 1 1 472 472 HIS CB C 472 30.157 30.157 29.487 0.670 19771 3658 1 15 . 1 1 472 472 HIS H H 472 8.410 8.410 8.199 0.211 19771 3659 1 15 . 1 1 473 473 HIS N N 473 122.456 122.456 120.550 1.906 19771 3660 1 15 . 1 1 473 473 HIS HA H 473 4.418 4.418 4.456 -0.038 19771 3661 1 15 . 1 1 473 473 HIS CA C 473 55.485 55.485 56.249 -0.764 19771 3662 1 15 . 1 1 473 473 HIS CB C 473 31.291 31.291 30.561 0.730 19771 3663 1 15 . 1 1 473 473 HIS H H 473 6.899 6.899 7.086 -0.187 19771 3664 1 15 . 1 1 474 474 SER N N 474 117.590 117.590 117.191 0.399 19771 3665 1 15 . 1 1 474 474 SER HA H 474 5.065 5.065 4.811 0.254 19771 3666 1 15 . 1 1 474 474 SER CA C 474 55.164 55.164 55.571 -0.407 19771 3667 1 15 . 1 1 474 474 SER CB C 474 64.749 64.749 65.170 -0.421 19771 3668 1 15 . 1 1 474 474 SER H H 474 8.600 8.600 8.592 0.008 19771 3669 1 15 . 1 1 475 475 PRO HA H 475 4.258 4.258 4.499 -0.241 19771 3670 1 15 . 1 1 475 475 PRO CA C 475 62.975 62.975 62.830 0.145 19771 3671 1 15 . 1 1 475 475 PRO CB C 475 31.696 31.696 31.881 -0.185 19771 3672 1 15 . 1 1 476 476 LEU N N 476 123.672 123.672 123.939 -0.267 19771 3673 1 15 . 1 1 476 476 LEU CB C 476 44.146 44.146 44.455 -0.309 19771 3674 1 15 . 1 1 476 476 LEU H H 476 8.843 8.843 8.739 0.104 19771 3675 1 15 . 1 1 477 477 MET N N 477 122.428 122.428 118.461 3.967 19771 3676 1 15 . 1 1 477 477 MET HA H 477 4.918 4.918 4.902 0.016 19771 3677 1 15 . 1 1 477 477 MET CA C 477 54.604 54.604 53.643 0.961 19771 3678 1 15 . 1 1 477 477 MET CB C 477 34.225 34.225 32.593 1.632 19771 3679 1 15 . 1 1 477 477 MET H H 477 8.564 8.564 8.845 -0.281 19771 3680 1 15 . 1 1 478 478 ARG N N 478 123.419 123.419 116.763 6.656 19771 3681 1 15 . 1 1 478 478 ARG CB C 478 32.024 32.024 28.299 3.725 19771 3682 1 15 . 1 1 478 478 ARG H H 478 8.825 8.825 8.464 0.361 19771 3683 1 15 . 1 1 481 481 LYS N N 481 122.000 122.000 119.286 2.714 19771 3684 1 15 . 1 1 481 481 LYS H H 481 8.284 8.284 8.314 -0.030 19771 3685 1 15 . 1 1 482 482 ASN N N 482 119.466 119.466 119.512 -0.046 19771 3686 1 15 . 1 1 482 482 ASN H H 482 8.379 8.379 8.142 0.237 19771 3687 1 15 . 1 1 483 483 ARG N N 483 121.400 121.400 119.799 1.601 19771 3688 1 15 . 1 1 483 483 ARG H H 483 8.302 8.302 8.543 -0.241 19771 3689 1 15 . 1 1 485 485 SER N N 485 115.800 115.800 116.640 -0.840 19771 3690 1 15 . 1 1 485 485 SER H H 485 8.112 8.112 8.623 -0.511 19771 3691 1 16 . 1 1 427 427 ASP N N 427 125.779 125.779 124.079 1.700 19771 3692 1 16 . 1 1 427 427 ASP HA H 427 4.829 4.829 4.846 -0.017 19771 3693 1 16 . 1 1 427 427 ASP CA C 427 52.150 52.150 53.007 -0.857 19771 3694 1 16 . 1 1 427 427 ASP CB C 427 41.537 41.537 41.242 0.295 19771 3695 1 16 . 1 1 427 427 ASP H H 427 8.293 8.293 8.164 0.129 19771 3696 1 16 . 1 1 428 428 PRO HA H 428 4.229 4.229 4.203 0.026 19771 3697 1 16 . 1 1 428 428 PRO CA C 428 63.337 63.337 62.387 0.950 19771 3698 1 16 . 1 1 428 428 PRO CB C 428 32.019 32.019 32.477 -0.459 19771 3699 1 16 . 1 1 429 429 TYR N N 429 119.152 119.152 119.044 0.108 19771 3700 1 16 . 1 1 429 429 TYR HA H 429 4.421 4.421 4.379 0.042 19771 3701 1 16 . 1 1 429 429 TYR CA C 429 57.961 57.961 59.214 -1.253 19771 3702 1 16 . 1 1 429 429 TYR CB C 429 37.968 37.968 37.749 0.219 19771 3703 1 16 . 1 1 429 429 TYR H H 429 8.136 8.136 8.383 -0.247 19771 3704 1 16 . 1 1 430 430 LEU N N 430 122.733 122.733 119.967 2.766 19771 3705 1 16 . 1 1 430 430 LEU HA H 430 4.205 4.205 3.396 0.809 19771 3706 1 16 . 1 1 430 430 LEU CA C 430 54.950 54.950 56.379 -1.429 19771 3707 1 16 . 1 1 430 430 LEU CB C 430 42.474 42.474 41.283 1.190 19771 3708 1 16 . 1 1 430 430 LEU H H 430 7.596 7.596 7.806 -0.210 19771 3709 1 16 . 1 1 431 431 GLU N N 431 120.614 120.614 117.682 2.932 19771 3710 1 16 . 1 1 431 431 GLU H H 431 8.157 8.157 7.537 0.620 19771 3711 1 16 . 1 1 432 432 ASP HA H 432 4.387 4.387 4.942 -0.555 19771 3712 1 16 . 1 1 432 432 ASP CA C 432 54.365 54.365 52.165 2.200 19771 3713 1 16 . 1 1 432 432 ASP CB C 432 41.027 41.027 43.246 -2.219 19771 3714 1 16 . 1 1 433 433 SER N N 433 116.511 116.511 115.255 1.256 19771 3715 1 16 . 1 1 433 433 SER HA H 433 4.222 4.222 3.797 0.425 19771 3716 1 16 . 1 1 433 433 SER CA C 433 57.811 57.811 59.007 -1.196 19771 3717 1 16 . 1 1 433 433 SER CB C 433 64.342 64.342 62.543 1.799 19771 3718 1 16 . 1 1 433 433 SER H H 433 7.926 7.926 8.459 -0.533 19771 3719 1 16 . 1 1 434 434 LEU N N 434 124.239 124.239 121.430 2.809 19771 3720 1 16 . 1 1 434 434 LEU HA H 434 4.301 4.301 4.321 -0.020 19771 3721 1 16 . 1 1 434 434 LEU CA C 434 54.780 54.780 56.195 -1.415 19771 3722 1 16 . 1 1 434 434 LEU CB C 434 43.682 43.682 42.819 0.863 19771 3723 1 16 . 1 1 434 434 LEU H H 434 8.161 8.161 7.472 0.689 19771 3724 1 16 . 1 1 435 435 CYS N N 435 121.658 121.658 123.865 -2.207 19771 3725 1 16 . 1 1 435 435 CYS HA H 435 3.767 3.767 4.399 -0.632 19771 3726 1 16 . 1 1 435 435 CYS CA C 435 60.505 60.505 59.309 1.196 19771 3727 1 16 . 1 1 435 435 CYS CB C 435 31.833 31.833 27.067 4.766 19771 3728 1 16 . 1 1 435 435 CYS H H 435 8.341 8.341 8.318 0.023 19771 3729 1 16 . 1 1 436 436 HIS N N 436 129.654 129.654 128.539 1.115 19771 3730 1 16 . 1 1 436 436 HIS HA H 436 4.436 4.436 4.590 -0.154 19771 3731 1 16 . 1 1 436 436 HIS CA C 436 58.775 58.775 57.008 1.768 19771 3732 1 16 . 1 1 436 436 HIS CB C 436 32.431 32.431 29.826 2.605 19771 3733 1 16 . 1 1 436 436 HIS H H 436 9.087 9.087 8.739 0.348 19771 3734 1 16 . 1 1 437 437 ILE N N 437 121.647 121.647 116.377 5.270 19771 3735 1 16 . 1 1 437 437 ILE HA H 437 4.122 4.122 4.450 -0.328 19771 3736 1 16 . 1 1 437 437 ILE CA C 437 61.632 61.632 61.582 0.050 19771 3737 1 16 . 1 1 437 437 ILE CB C 437 35.149 35.149 39.889 -4.740 19771 3738 1 16 . 1 1 437 437 ILE H H 437 9.294 9.294 7.734 1.560 19771 3739 1 16 . 1 1 438 438 CYS N N 438 118.756 118.756 118.966 -0.210 19771 3740 1 16 . 1 1 438 438 CYS HA H 438 4.719 4.719 4.716 0.003 19771 3741 1 16 . 1 1 438 438 CYS CB C 438 31.931 31.931 29.290 2.641 19771 3742 1 16 . 1 1 438 438 CYS H H 438 8.503 8.503 7.966 0.537 19771 3743 1 16 . 1 1 439 439 SER N N 439 116.341 116.341 115.817 0.524 19771 3744 1 16 . 1 1 439 439 SER HA H 439 4.348 4.348 3.902 0.446 19771 3745 1 16 . 1 1 439 439 SER CA C 439 60.131 60.131 59.713 0.418 19771 3746 1 16 . 1 1 439 439 SER CB C 439 62.642 62.642 60.642 2.000 19771 3747 1 16 . 1 1 439 439 SER H H 439 7.561 7.561 8.181 -0.620 19771 3748 1 16 . 1 1 440 440 SER N N 440 113.455 113.455 112.975 0.480 19771 3749 1 16 . 1 1 440 440 SER HA H 440 4.777 4.777 4.485 0.292 19771 3750 1 16 . 1 1 440 440 SER CA C 440 58.703 58.703 58.431 0.272 19771 3751 1 16 . 1 1 440 440 SER CB C 440 65.681 65.681 63.630 2.051 19771 3752 1 16 . 1 1 440 440 SER H H 440 8.272 8.272 8.016 0.256 19771 3753 1 16 . 1 1 441 441 GLN N N 441 118.674 118.674 119.905 -1.231 19771 3754 1 16 . 1 1 441 441 GLN HA H 441 4.865 4.865 4.617 0.248 19771 3755 1 16 . 1 1 441 441 GLN CA C 441 52.802 52.802 52.954 -0.152 19771 3756 1 16 . 1 1 441 441 GLN CB C 441 30.560 30.560 28.886 1.674 19771 3757 1 16 . 1 1 441 441 GLN H H 441 7.355 7.355 7.940 -0.585 19771 3758 1 16 . 1 1 442 442 PRO HA H 442 4.349 4.349 4.301 0.048 19771 3759 1 16 . 1 1 442 442 PRO CA C 442 63.693 63.693 62.955 0.739 19771 3760 1 16 . 1 1 442 442 PRO CB C 442 32.549 32.549 30.221 2.328 19771 3761 1 16 . 1 1 443 443 GLY N N 443 110.126 110.126 108.477 1.649 19771 3762 1 16 . 1 1 443 443 GLY CA C 443 46.097 46.097 44.649 1.448 19771 3763 1 16 . 1 1 443 443 GLY H H 443 8.819 8.819 7.964 0.855 19771 3764 1 16 . 1 1 444 444 PRO HA H 444 4.387 4.387 4.109 0.278 19771 3765 1 16 . 1 1 444 444 PRO CA C 444 63.025 63.025 63.572 -0.547 19771 3766 1 16 . 1 1 444 444 PRO CB C 444 32.737 32.737 31.770 0.967 19771 3767 1 16 . 1 1 445 445 PHE N N 445 116.262 116.262 116.297 -0.035 19771 3768 1 16 . 1 1 445 445 PHE HA H 445 4.962 4.962 5.244 -0.282 19771 3769 1 16 . 1 1 445 445 PHE CA C 445 56.014 56.014 56.433 -0.419 19771 3770 1 16 . 1 1 445 445 PHE CB C 445 40.028 40.028 43.062 -3.034 19771 3771 1 16 . 1 1 445 445 PHE H H 445 8.066 8.066 7.790 0.276 19771 3772 1 16 . 1 1 446 446 PHE N N 446 126.081 126.081 121.184 4.897 19771 3773 1 16 . 1 1 446 446 PHE HA H 446 5.050 5.050 5.430 -0.380 19771 3774 1 16 . 1 1 446 446 PHE CA C 446 56.775 56.775 56.806 -0.030 19771 3775 1 16 . 1 1 446 446 PHE CB C 446 41.731 41.731 43.269 -1.538 19771 3776 1 16 . 1 1 446 446 PHE H H 446 9.446 9.446 8.355 1.091 19771 3777 1 16 . 1 1 447 447 CYS N N 447 128.746 128.746 123.135 5.611 19771 3778 1 16 . 1 1 447 447 CYS HA H 447 4.874 4.874 5.089 -0.215 19771 3779 1 16 . 1 1 447 447 CYS CA C 447 58.263 58.263 56.574 1.689 19771 3780 1 16 . 1 1 447 447 CYS CB C 447 30.994 30.994 30.396 0.598 19771 3781 1 16 . 1 1 447 447 CYS H H 447 7.729 7.729 7.880 -0.151 19771 3782 1 16 . 1 1 448 448 ARG N N 448 125.530 125.530 124.633 0.897 19771 3783 1 16 . 1 1 448 448 ARG HA H 448 4.080 4.080 4.616 -0.536 19771 3784 1 16 . 1 1 448 448 ARG CA C 448 55.854 55.854 56.845 -0.991 19771 3785 1 16 . 1 1 448 448 ARG CB C 448 31.200 31.200 30.713 0.487 19771 3786 1 16 . 1 1 448 448 ARG H H 448 8.783 8.783 8.958 -0.175 19771 3787 1 16 . 1 1 449 449 ASP N N 449 123.969 123.969 120.080 3.889 19771 3788 1 16 . 1 1 449 449 ASP HA H 449 4.155 4.155 4.654 -0.499 19771 3789 1 16 . 1 1 449 449 ASP CA C 449 56.118 56.118 53.732 2.386 19771 3790 1 16 . 1 1 449 449 ASP CB C 449 43.634 43.634 41.802 1.832 19771 3791 1 16 . 1 1 449 449 ASP H H 449 8.117 8.117 7.415 0.702 19771 3792 1 16 . 1 1 450 450 GLN N N 450 125.410 125.410 120.166 5.244 19771 3793 1 16 . 1 1 450 450 GLN HA H 450 3.832 3.832 4.087 -0.255 19771 3794 1 16 . 1 1 450 450 GLN CA C 450 59.127 59.127 57.648 1.479 19771 3795 1 16 . 1 1 450 450 GLN CB C 450 28.699 28.699 27.648 1.051 19771 3796 1 16 . 1 1 450 450 GLN H H 450 8.670 8.670 8.824 -0.154 19771 3797 1 16 . 1 1 451 451 VAL N N 451 113.164 113.164 110.680 2.484 19771 3798 1 16 . 1 1 451 451 VAL HA H 451 4.240 4.240 4.392 -0.152 19771 3799 1 16 . 1 1 451 451 VAL CA C 451 63.199 63.199 60.873 2.326 19771 3800 1 16 . 1 1 451 451 VAL CB C 451 31.439 31.439 31.664 -0.225 19771 3801 1 16 . 1 1 451 451 VAL H H 451 8.591 8.591 7.638 0.953 19771 3802 1 16 . 1 1 452 452 CYS N N 452 120.986 120.986 113.867 7.119 19771 3803 1 16 . 1 1 452 452 CYS HA H 452 4.502 4.502 4.977 -0.475 19771 3804 1 16 . 1 1 452 452 CYS CA C 452 60.474 60.474 57.302 3.172 19771 3805 1 16 . 1 1 452 452 CYS CB C 452 31.715 31.715 27.264 4.451 19771 3806 1 16 . 1 1 452 452 CYS H H 452 7.963 7.963 7.665 0.298 19771 3807 1 16 . 1 1 453 453 PHE N N 453 129.406 129.406 123.659 5.747 19771 3808 1 16 . 1 1 453 453 PHE HA H 453 4.121 4.121 4.586 -0.465 19771 3809 1 16 . 1 1 453 453 PHE CA C 453 59.700 59.700 57.732 1.968 19771 3810 1 16 . 1 1 453 453 PHE CB C 453 38.328 38.328 37.390 0.938 19771 3811 1 16 . 1 1 453 453 PHE H H 453 7.880 7.880 8.709 -0.829 19771 3812 1 16 . 1 1 454 454 LYS N N 454 113.628 113.628 118.943 -5.315 19771 3813 1 16 . 1 1 454 454 LYS HA H 454 4.423 4.423 4.377 0.046 19771 3814 1 16 . 1 1 454 454 LYS CA C 454 54.050 54.050 53.226 0.824 19771 3815 1 16 . 1 1 454 454 LYS CB C 454 37.833 37.833 36.771 1.062 19771 3816 1 16 . 1 1 454 454 LYS H H 454 6.384 6.384 7.633 -1.249 19771 3817 1 16 . 1 1 455 455 TYR N N 455 117.756 117.756 117.707 0.049 19771 3818 1 16 . 1 1 455 455 TYR HA H 455 5.111 5.111 4.789 0.322 19771 3819 1 16 . 1 1 455 455 TYR CA C 455 58.616 58.616 59.192 -0.576 19771 3820 1 16 . 1 1 455 455 TYR CB C 455 39.956 39.956 38.740 1.216 19771 3821 1 16 . 1 1 455 455 TYR H H 455 7.100 7.100 7.108 -0.008 19771 3822 1 16 . 1 1 456 456 PHE N N 456 117.529 117.529 119.160 -1.631 19771 3823 1 16 . 1 1 456 456 PHE HA H 456 6.342 6.342 5.073 1.269 19771 3824 1 16 . 1 1 456 456 PHE CA C 456 57.017 57.017 56.452 0.565 19771 3825 1 16 . 1 1 456 456 PHE CB C 456 45.138 45.138 44.044 1.094 19771 3826 1 16 . 1 1 456 456 PHE H H 456 9.527 9.527 9.139 0.388 19771 3827 1 16 . 1 1 457 457 CYS N N 457 119.575 119.575 117.089 2.486 19771 3828 1 16 . 1 1 457 457 CYS HA H 457 5.435 5.435 5.322 0.113 19771 3829 1 16 . 1 1 457 457 CYS CA C 457 58.044 58.044 56.527 1.517 19771 3830 1 16 . 1 1 457 457 CYS CB C 457 32.277 32.277 30.994 1.283 19771 3831 1 16 . 1 1 457 457 CYS H H 457 9.710 9.710 8.953 0.757 19771 3832 1 16 . 1 1 458 458 ARG N N 458 120.479 120.479 119.290 1.189 19771 3833 1 16 . 1 1 458 458 ARG HA H 458 3.750 3.750 3.700 0.050 19771 3834 1 16 . 1 1 458 458 ARG CA C 458 60.863 60.863 59.452 1.411 19771 3835 1 16 . 1 1 458 458 ARG CB C 458 30.407 30.407 29.816 0.591 19771 3836 1 16 . 1 1 458 458 ARG H H 458 9.300 9.300 8.928 0.372 19771 3837 1 16 . 1 1 459 459 SER N N 459 114.502 114.502 114.566 -0.064 19771 3838 1 16 . 1 1 459 459 SER HA H 459 4.424 4.424 4.066 0.358 19771 3839 1 16 . 1 1 459 459 SER CA C 459 62.116 62.116 60.536 1.580 19771 3840 1 16 . 1 1 459 459 SER CB C 459 62.828 62.828 63.148 -0.320 19771 3841 1 16 . 1 1 459 459 SER H H 459 8.482 8.482 7.874 0.608 19771 3842 1 16 . 1 1 460 460 CYS N N 460 126.957 126.957 117.902 9.055 19771 3843 1 16 . 1 1 460 460 CYS HA H 460 4.402 4.402 4.105 0.297 19771 3844 1 16 . 1 1 460 460 CYS CA C 460 65.041 65.041 58.235 6.806 19771 3845 1 16 . 1 1 460 460 CYS CB C 460 30.694 30.694 26.194 4.500 19771 3846 1 16 . 1 1 460 460 CYS H H 460 9.474 9.474 7.468 2.006 19771 3847 1 16 . 1 1 461 461 TRP N N 461 121.032 121.032 123.512 -2.480 19771 3848 1 16 . 1 1 461 461 TRP HA H 461 3.259 3.259 4.043 -0.784 19771 3849 1 16 . 1 1 461 461 TRP CA C 461 62.794 62.794 60.615 2.179 19771 3850 1 16 . 1 1 461 461 TRP CB C 461 27.672 27.672 28.826 -1.154 19771 3851 1 16 . 1 1 461 461 TRP H H 461 9.553 9.553 8.339 1.214 19771 3852 1 16 . 1 1 462 462 HIS N N 462 119.358 119.358 114.864 4.494 19771 3853 1 16 . 1 1 462 462 HIS HA H 462 4.280 4.280 4.459 -0.179 19771 3854 1 16 . 1 1 462 462 HIS CA C 462 59.828 59.828 59.065 0.763 19771 3855 1 16 . 1 1 462 462 HIS CB C 462 30.330 30.330 29.198 1.132 19771 3856 1 16 . 1 1 462 462 HIS H H 462 8.007 8.007 7.333 0.674 19771 3857 1 16 . 1 1 463 463 TRP N N 463 121.005 121.005 116.279 4.726 19771 3858 1 16 . 1 1 463 463 TRP HA H 463 4.179 4.179 4.631 -0.452 19771 3859 1 16 . 1 1 463 463 TRP CA C 463 60.915 60.915 57.328 3.587 19771 3860 1 16 . 1 1 463 463 TRP CB C 463 28.556 28.556 28.861 -0.305 19771 3861 1 16 . 1 1 463 463 TRP H H 463 8.146 8.146 7.173 0.973 19771 3862 1 16 . 1 1 464 464 ARG N N 464 117.937 117.937 114.905 3.032 19771 3863 1 16 . 1 1 464 464 ARG HA H 464 3.160 3.160 4.118 -0.958 19771 3864 1 16 . 1 1 464 464 ARG CA C 464 57.153 57.153 55.243 1.910 19771 3865 1 16 . 1 1 464 464 ARG CB C 464 29.998 29.998 29.964 0.034 19771 3866 1 16 . 1 1 464 464 ARG H H 464 8.136 8.136 7.142 0.994 19771 3867 1 16 . 1 1 465 465 HIS N N 465 109.139 109.139 115.856 -6.717 19771 3868 1 16 . 1 1 465 465 HIS HA H 465 3.729 3.729 4.641 -0.912 19771 3869 1 16 . 1 1 465 465 HIS CA C 465 58.797 58.797 54.919 3.878 19771 3870 1 16 . 1 1 465 465 HIS CB C 465 25.377 25.377 30.045 -4.668 19771 3871 1 16 . 1 1 465 465 HIS H H 465 7.359 7.359 7.426 -0.067 19771 3872 1 16 . 1 1 466 466 SER N N 466 112.123 112.123 115.180 -3.057 19771 3873 1 16 . 1 1 466 466 SER HA H 466 4.273 4.273 4.232 0.041 19771 3874 1 16 . 1 1 466 466 SER CA C 466 58.999 58.999 60.201 -1.202 19771 3875 1 16 . 1 1 466 466 SER CB C 466 63.431 63.431 63.254 0.177 19771 3876 1 16 . 1 1 466 466 SER H H 466 6.897 6.897 7.882 -0.985 19771 3877 1 16 . 1 1 467 467 MET N N 467 121.282 121.282 118.044 3.238 19771 3878 1 16 . 1 1 467 467 MET HA H 467 4.133 4.133 4.767 -0.634 19771 3879 1 16 . 1 1 467 467 MET CA C 467 55.435 55.435 55.298 0.137 19771 3880 1 16 . 1 1 467 467 MET CB C 467 33.206 33.206 34.976 -1.770 19771 3881 1 16 . 1 1 467 467 MET H H 467 6.766 6.766 7.364 -0.598 19771 3882 1 16 . 1 1 468 468 GLU N N 468 122.864 122.864 124.818 -1.954 19771 3883 1 16 . 1 1 468 468 GLU HA H 468 3.754 3.754 4.136 -0.382 19771 3884 1 16 . 1 1 468 468 GLU CA C 468 58.708 58.708 58.273 0.435 19771 3885 1 16 . 1 1 468 468 GLU CB C 468 29.457 29.457 28.391 1.066 19771 3886 1 16 . 1 1 468 468 GLU H H 468 8.455 8.455 8.945 -0.490 19771 3887 1 16 . 1 1 469 469 GLY N N 469 112.643 112.643 107.425 5.218 19771 3888 1 16 . 1 1 469 469 GLY CA C 469 45.398 45.398 45.825 -0.428 19771 3889 1 16 . 1 1 469 469 GLY H H 469 8.893 8.893 8.143 0.750 19771 3890 1 16 . 1 1 470 470 LEU N N 470 118.167 118.167 117.297 0.870 19771 3891 1 16 . 1 1 470 470 LEU HA H 470 3.862 3.862 4.454 -0.592 19771 3892 1 16 . 1 1 470 470 LEU CA C 470 54.284 54.284 53.415 0.869 19771 3893 1 16 . 1 1 470 470 LEU CB C 470 42.923 42.923 42.158 0.765 19771 3894 1 16 . 1 1 470 470 LEU H H 470 7.642 7.642 7.508 0.134 19771 3895 1 16 . 1 1 471 471 ARG N N 471 115.958 115.958 119.176 -3.218 19771 3896 1 16 . 1 1 471 471 ARG HA H 471 4.328 4.328 4.049 0.279 19771 3897 1 16 . 1 1 471 471 ARG CA C 471 58.357 58.357 57.404 0.953 19771 3898 1 16 . 1 1 471 471 ARG CB C 471 30.183 30.183 29.853 0.330 19771 3899 1 16 . 1 1 471 471 ARG H H 471 7.256 7.256 7.299 -0.043 19771 3900 1 16 . 1 1 472 472 HIS N N 472 113.710 113.710 112.404 1.306 19771 3901 1 16 . 1 1 472 472 HIS HA H 472 4.635 4.635 4.662 -0.027 19771 3902 1 16 . 1 1 472 472 HIS CA C 472 56.199 56.199 55.517 0.682 19771 3903 1 16 . 1 1 472 472 HIS CB C 472 30.157 30.157 29.006 1.151 19771 3904 1 16 . 1 1 472 472 HIS H H 472 8.410 8.410 8.073 0.337 19771 3905 1 16 . 1 1 473 473 HIS N N 473 122.456 122.456 120.288 2.168 19771 3906 1 16 . 1 1 473 473 HIS HA H 473 4.418 4.418 4.427 -0.009 19771 3907 1 16 . 1 1 473 473 HIS CA C 473 55.485 55.485 56.486 -1.001 19771 3908 1 16 . 1 1 473 473 HIS CB C 473 31.291 31.291 30.569 0.722 19771 3909 1 16 . 1 1 473 473 HIS H H 473 6.899 6.899 7.178 -0.279 19771 3910 1 16 . 1 1 474 474 SER N N 474 117.590 117.590 115.989 1.601 19771 3911 1 16 . 1 1 474 474 SER HA H 474 5.065 5.065 4.966 0.099 19771 3912 1 16 . 1 1 474 474 SER CA C 474 55.164 55.164 55.719 -0.555 19771 3913 1 16 . 1 1 474 474 SER CB C 474 64.749 64.749 64.753 -0.004 19771 3914 1 16 . 1 1 474 474 SER H H 474 8.600 8.600 8.617 -0.017 19771 3915 1 16 . 1 1 475 475 PRO HA H 475 4.258 4.258 4.404 -0.146 19771 3916 1 16 . 1 1 475 475 PRO CA C 475 62.975 62.975 62.767 0.208 19771 3917 1 16 . 1 1 475 475 PRO CB C 475 31.696 31.696 32.238 -0.542 19771 3918 1 16 . 1 1 476 476 LEU N N 476 123.672 123.672 120.049 3.623 19771 3919 1 16 . 1 1 476 476 LEU CB C 476 44.146 44.146 46.871 -2.725 19771 3920 1 16 . 1 1 476 476 LEU H H 476 8.843 8.843 8.137 0.706 19771 3921 1 16 . 1 1 477 477 MET N N 477 122.428 122.428 119.328 3.100 19771 3922 1 16 . 1 1 477 477 MET HA H 477 4.918 4.918 4.951 -0.033 19771 3923 1 16 . 1 1 477 477 MET CA C 477 54.604 54.604 55.636 -1.032 19771 3924 1 16 . 1 1 477 477 MET CB C 477 34.225 34.225 33.358 0.867 19771 3925 1 16 . 1 1 477 477 MET H H 477 8.564 8.564 8.911 -0.347 19771 3926 1 16 . 1 1 478 478 ARG N N 478 123.419 123.419 117.681 5.738 19771 3927 1 16 . 1 1 478 478 ARG CB C 478 32.024 32.024 28.432 3.592 19771 3928 1 16 . 1 1 478 478 ARG H H 478 8.825 8.825 8.506 0.319 19771 3929 1 16 . 1 1 481 481 LYS N N 481 122.000 122.000 121.139 0.861 19771 3930 1 16 . 1 1 481 481 LYS H H 481 8.284 8.284 8.537 -0.253 19771 3931 1 16 . 1 1 482 482 ASN N N 482 119.466 119.466 119.419 0.047 19771 3932 1 16 . 1 1 482 482 ASN H H 482 8.379 8.379 8.430 -0.051 19771 3933 1 16 . 1 1 483 483 ARG N N 483 121.400 121.400 121.886 -0.486 19771 3934 1 16 . 1 1 483 483 ARG H H 483 8.302 8.302 8.492 -0.190 19771 3935 1 16 . 1 1 485 485 SER N N 485 115.800 115.800 112.406 3.394 19771 3936 1 16 . 1 1 485 485 SER H H 485 8.112 8.112 8.410 -0.298 19771 3937 1 17 . 1 1 427 427 ASP N N 427 125.779 125.779 126.185 -0.406 19771 3938 1 17 . 1 1 427 427 ASP HA H 427 4.829 4.829 4.939 -0.110 19771 3939 1 17 . 1 1 427 427 ASP CA C 427 52.150 52.150 52.869 -0.719 19771 3940 1 17 . 1 1 427 427 ASP CB C 427 41.537 41.537 42.265 -0.728 19771 3941 1 17 . 1 1 427 427 ASP H H 427 8.293 8.293 8.417 -0.124 19771 3942 1 17 . 1 1 428 428 PRO HA H 428 4.229 4.229 4.376 -0.147 19771 3943 1 17 . 1 1 428 428 PRO CA C 428 63.337 63.337 62.908 0.429 19771 3944 1 17 . 1 1 428 428 PRO CB C 428 32.019 32.019 32.370 -0.351 19771 3945 1 17 . 1 1 429 429 TYR N N 429 119.152 119.152 118.473 0.679 19771 3946 1 17 . 1 1 429 429 TYR HA H 429 4.421 4.421 4.680 -0.259 19771 3947 1 17 . 1 1 429 429 TYR CA C 429 57.961 57.961 57.520 0.441 19771 3948 1 17 . 1 1 429 429 TYR CB C 429 37.968 37.968 39.794 -1.826 19771 3949 1 17 . 1 1 429 429 TYR H H 429 8.136 8.136 7.838 0.298 19771 3950 1 17 . 1 1 430 430 LEU N N 430 122.733 122.733 122.364 0.369 19771 3951 1 17 . 1 1 430 430 LEU HA H 430 4.205 4.205 4.693 -0.488 19771 3952 1 17 . 1 1 430 430 LEU CA C 430 54.950 54.950 55.713 -0.763 19771 3953 1 17 . 1 1 430 430 LEU CB C 430 42.474 42.474 42.424 0.050 19771 3954 1 17 . 1 1 430 430 LEU H H 430 7.596 7.596 8.460 -0.864 19771 3955 1 17 . 1 1 431 431 GLU N N 431 120.614 120.614 118.918 1.696 19771 3956 1 17 . 1 1 431 431 GLU H H 431 8.157 8.157 7.777 0.380 19771 3957 1 17 . 1 1 432 432 ASP HA H 432 4.387 4.387 4.903 -0.516 19771 3958 1 17 . 1 1 432 432 ASP CA C 432 54.365 54.365 53.441 0.924 19771 3959 1 17 . 1 1 432 432 ASP CB C 432 41.027 41.027 43.353 -2.326 19771 3960 1 17 . 1 1 433 433 SER N N 433 116.511 116.511 113.934 2.577 19771 3961 1 17 . 1 1 433 433 SER HA H 433 4.222 4.222 3.918 0.304 19771 3962 1 17 . 1 1 433 433 SER CA C 433 57.811 57.811 58.268 -0.457 19771 3963 1 17 . 1 1 433 433 SER CB C 433 64.342 64.342 63.241 1.101 19771 3964 1 17 . 1 1 433 433 SER H H 433 7.926 7.926 8.295 -0.369 19771 3965 1 17 . 1 1 434 434 LEU N N 434 124.239 124.239 121.869 2.370 19771 3966 1 17 . 1 1 434 434 LEU HA H 434 4.301 4.301 4.235 0.066 19771 3967 1 17 . 1 1 434 434 LEU CA C 434 54.780 54.780 54.365 0.414 19771 3968 1 17 . 1 1 434 434 LEU CB C 434 43.682 43.682 43.608 0.074 19771 3969 1 17 . 1 1 434 434 LEU H H 434 8.161 8.161 7.343 0.818 19771 3970 1 17 . 1 1 435 435 CYS N N 435 121.658 121.658 123.405 -1.747 19771 3971 1 17 . 1 1 435 435 CYS HA H 435 3.767 3.767 4.384 -0.617 19771 3972 1 17 . 1 1 435 435 CYS CA C 435 60.505 60.505 60.170 0.335 19771 3973 1 17 . 1 1 435 435 CYS CB C 435 31.833 31.833 28.043 3.790 19771 3974 1 17 . 1 1 435 435 CYS H H 435 8.341 8.341 8.147 0.194 19771 3975 1 17 . 1 1 436 436 HIS N N 436 129.654 129.654 126.296 3.358 19771 3976 1 17 . 1 1 436 436 HIS HA H 436 4.436 4.436 4.628 -0.192 19771 3977 1 17 . 1 1 436 436 HIS CA C 436 58.775 58.775 57.711 1.064 19771 3978 1 17 . 1 1 436 436 HIS CB C 436 32.431 32.431 30.425 2.006 19771 3979 1 17 . 1 1 436 436 HIS H H 436 9.087 9.087 8.512 0.575 19771 3980 1 17 . 1 1 437 437 ILE N N 437 121.647 121.647 118.980 2.667 19771 3981 1 17 . 1 1 437 437 ILE HA H 437 4.122 4.122 4.223 -0.101 19771 3982 1 17 . 1 1 437 437 ILE CA C 437 61.632 61.632 61.783 -0.151 19771 3983 1 17 . 1 1 437 437 ILE CB C 437 35.149 35.149 39.671 -4.522 19771 3984 1 17 . 1 1 437 437 ILE H H 437 9.294 9.294 8.074 1.220 19771 3985 1 17 . 1 1 438 438 CYS N N 438 118.756 118.756 115.763 2.993 19771 3986 1 17 . 1 1 438 438 CYS HA H 438 4.719 4.719 4.702 0.017 19771 3987 1 17 . 1 1 438 438 CYS CB C 438 31.931 31.931 30.074 1.857 19771 3988 1 17 . 1 1 438 438 CYS H H 438 8.503 8.503 7.906 0.597 19771 3989 1 17 . 1 1 439 439 SER N N 439 116.341 116.341 114.510 1.831 19771 3990 1 17 . 1 1 439 439 SER HA H 439 4.348 4.348 4.124 0.224 19771 3991 1 17 . 1 1 439 439 SER CA C 439 60.131 60.131 59.543 0.588 19771 3992 1 17 . 1 1 439 439 SER CB C 439 62.642 62.642 61.562 1.080 19771 3993 1 17 . 1 1 439 439 SER H H 439 7.561 7.561 8.349 -0.788 19771 3994 1 17 . 1 1 440 440 SER N N 440 113.455 113.455 114.367 -0.912 19771 3995 1 17 . 1 1 440 440 SER HA H 440 4.777 4.777 4.273 0.504 19771 3996 1 17 . 1 1 440 440 SER CA C 440 58.703 58.703 59.730 -1.028 19771 3997 1 17 . 1 1 440 440 SER CB C 440 65.681 65.681 63.722 1.959 19771 3998 1 17 . 1 1 440 440 SER H H 440 8.272 8.272 8.341 -0.069 19771 3999 1 17 . 1 1 441 441 GLN N N 441 118.674 118.674 116.684 1.990 19771 4000 1 17 . 1 1 441 441 GLN HA H 441 4.865 4.865 4.767 0.098 19771 4001 1 17 . 1 1 441 441 GLN CA C 441 52.802 52.802 52.688 0.114 19771 4002 1 17 . 1 1 441 441 GLN CB C 441 30.560 30.560 29.364 1.196 19771 4003 1 17 . 1 1 441 441 GLN H H 441 7.355 7.355 7.473 -0.118 19771 4004 1 17 . 1 1 442 442 PRO HA H 442 4.349 4.349 4.436 -0.087 19771 4005 1 17 . 1 1 442 442 PRO CA C 442 63.693 63.693 62.911 0.782 19771 4006 1 17 . 1 1 442 442 PRO CB C 442 32.549 32.549 31.063 1.486 19771 4007 1 17 . 1 1 443 443 GLY N N 443 110.126 110.126 112.094 -1.968 19771 4008 1 17 . 1 1 443 443 GLY CA C 443 46.097 46.097 43.737 2.360 19771 4009 1 17 . 1 1 443 443 GLY H H 443 8.819 8.819 7.962 0.857 19771 4010 1 17 . 1 1 444 444 PRO HA H 444 4.387 4.387 4.251 0.136 19771 4011 1 17 . 1 1 444 444 PRO CA C 444 63.025 63.025 63.469 -0.444 19771 4012 1 17 . 1 1 444 444 PRO CB C 444 32.737 32.737 31.789 0.948 19771 4013 1 17 . 1 1 445 445 PHE N N 445 116.262 116.262 116.859 -0.597 19771 4014 1 17 . 1 1 445 445 PHE HA H 445 4.962 4.962 5.376 -0.414 19771 4015 1 17 . 1 1 445 445 PHE CA C 445 56.014 56.014 55.996 0.018 19771 4016 1 17 . 1 1 445 445 PHE CB C 445 40.028 40.028 42.648 -2.620 19771 4017 1 17 . 1 1 445 445 PHE H H 445 8.066 8.066 7.635 0.431 19771 4018 1 17 . 1 1 446 446 PHE N N 446 126.081 126.081 121.183 4.898 19771 4019 1 17 . 1 1 446 446 PHE HA H 446 5.050 5.050 5.427 -0.377 19771 4020 1 17 . 1 1 446 446 PHE CA C 446 56.775 56.775 56.473 0.302 19771 4021 1 17 . 1 1 446 446 PHE CB C 446 41.731 41.731 43.377 -1.646 19771 4022 1 17 . 1 1 446 446 PHE H H 446 9.446 9.446 8.412 1.034 19771 4023 1 17 . 1 1 447 447 CYS N N 447 128.746 128.746 124.361 4.385 19771 4024 1 17 . 1 1 447 447 CYS HA H 447 4.874 4.874 4.966 -0.092 19771 4025 1 17 . 1 1 447 447 CYS CA C 447 58.263 58.263 57.451 0.812 19771 4026 1 17 . 1 1 447 447 CYS CB C 447 30.994 30.994 30.072 0.922 19771 4027 1 17 . 1 1 447 447 CYS H H 447 7.729 7.729 7.543 0.186 19771 4028 1 17 . 1 1 448 448 ARG N N 448 125.530 125.530 127.597 -2.067 19771 4029 1 17 . 1 1 448 448 ARG HA H 448 4.080 4.080 4.678 -0.598 19771 4030 1 17 . 1 1 448 448 ARG CA C 448 55.854 55.854 55.667 0.187 19771 4031 1 17 . 1 1 448 448 ARG CB C 448 31.200 31.200 30.423 0.777 19771 4032 1 17 . 1 1 448 448 ARG H H 448 8.783 8.783 8.553 0.230 19771 4033 1 17 . 1 1 449 449 ASP N N 449 123.969 123.969 122.603 1.366 19771 4034 1 17 . 1 1 449 449 ASP HA H 449 4.155 4.155 4.778 -0.623 19771 4035 1 17 . 1 1 449 449 ASP CA C 449 56.118 56.118 53.215 2.903 19771 4036 1 17 . 1 1 449 449 ASP CB C 449 43.634 43.634 43.361 0.273 19771 4037 1 17 . 1 1 449 449 ASP H H 449 8.117 8.117 7.760 0.357 19771 4038 1 17 . 1 1 450 450 GLN N N 450 125.410 125.410 119.527 5.883 19771 4039 1 17 . 1 1 450 450 GLN HA H 450 3.832 3.832 4.253 -0.421 19771 4040 1 17 . 1 1 450 450 GLN CA C 450 59.127 59.127 57.954 1.173 19771 4041 1 17 . 1 1 450 450 GLN CB C 450 28.699 28.699 28.641 0.058 19771 4042 1 17 . 1 1 450 450 GLN H H 450 8.670 8.670 8.774 -0.104 19771 4043 1 17 . 1 1 451 451 VAL N N 451 113.164 113.164 113.275 -0.111 19771 4044 1 17 . 1 1 451 451 VAL HA H 451 4.240 4.240 4.281 -0.041 19771 4045 1 17 . 1 1 451 451 VAL CA C 451 63.199 63.199 62.799 0.400 19771 4046 1 17 . 1 1 451 451 VAL CB C 451 31.439 31.439 33.109 -1.670 19771 4047 1 17 . 1 1 451 451 VAL H H 451 8.591 8.591 7.815 0.776 19771 4048 1 17 . 1 1 452 452 CYS N N 452 120.986 120.986 117.612 3.374 19771 4049 1 17 . 1 1 452 452 CYS HA H 452 4.502 4.502 4.567 -0.065 19771 4050 1 17 . 1 1 452 452 CYS CA C 452 60.474 60.474 59.863 0.611 19771 4051 1 17 . 1 1 452 452 CYS CB C 452 31.715 31.715 28.068 3.647 19771 4052 1 17 . 1 1 452 452 CYS H H 452 7.963 7.963 7.310 0.653 19771 4053 1 17 . 1 1 453 453 PHE N N 453 129.406 129.406 119.405 10.001 19771 4054 1 17 . 1 1 453 453 PHE HA H 453 4.121 4.121 3.962 0.159 19771 4055 1 17 . 1 1 453 453 PHE CA C 453 59.700 59.700 59.001 0.699 19771 4056 1 17 . 1 1 453 453 PHE CB C 453 38.328 38.328 37.516 0.812 19771 4057 1 17 . 1 1 453 453 PHE H H 453 7.880 7.880 7.987 -0.107 19771 4058 1 17 . 1 1 454 454 LYS N N 454 113.628 113.628 115.814 -2.186 19771 4059 1 17 . 1 1 454 454 LYS HA H 454 4.423 4.423 4.188 0.235 19771 4060 1 17 . 1 1 454 454 LYS CA C 454 54.050 54.050 53.120 0.930 19771 4061 1 17 . 1 1 454 454 LYS CB C 454 37.833 37.833 35.970 1.863 19771 4062 1 17 . 1 1 454 454 LYS H H 454 6.384 6.384 6.877 -0.493 19771 4063 1 17 . 1 1 455 455 TYR N N 455 117.756 117.756 117.259 0.497 19771 4064 1 17 . 1 1 455 455 TYR HA H 455 5.111 5.111 5.036 0.075 19771 4065 1 17 . 1 1 455 455 TYR CA C 455 58.616 58.616 58.571 0.045 19771 4066 1 17 . 1 1 455 455 TYR CB C 455 39.956 39.956 39.727 0.230 19771 4067 1 17 . 1 1 455 455 TYR H H 455 7.100 7.100 8.502 -1.402 19771 4068 1 17 . 1 1 456 456 PHE N N 456 117.529 117.529 116.901 0.628 19771 4069 1 17 . 1 1 456 456 PHE HA H 456 6.342 6.342 5.181 1.161 19771 4070 1 17 . 1 1 456 456 PHE CA C 456 57.017 57.017 56.707 0.310 19771 4071 1 17 . 1 1 456 456 PHE CB C 456 45.138 45.138 44.187 0.952 19771 4072 1 17 . 1 1 456 456 PHE H H 456 9.527 9.527 9.027 0.500 19771 4073 1 17 . 1 1 457 457 CYS N N 457 119.575 119.575 116.627 2.948 19771 4074 1 17 . 1 1 457 457 CYS HA H 457 5.435 5.435 5.186 0.249 19771 4075 1 17 . 1 1 457 457 CYS CA C 457 58.044 58.044 56.155 1.889 19771 4076 1 17 . 1 1 457 457 CYS CB C 457 32.277 32.277 31.299 0.978 19771 4077 1 17 . 1 1 457 457 CYS H H 457 9.710 9.710 8.736 0.974 19771 4078 1 17 . 1 1 458 458 ARG N N 458 120.479 120.479 122.123 -1.644 19771 4079 1 17 . 1 1 458 458 ARG HA H 458 3.750 3.750 3.820 -0.070 19771 4080 1 17 . 1 1 458 458 ARG CA C 458 60.863 60.863 59.348 1.515 19771 4081 1 17 . 1 1 458 458 ARG CB C 458 30.407 30.407 29.998 0.409 19771 4082 1 17 . 1 1 458 458 ARG H H 458 9.300 9.300 9.026 0.274 19771 4083 1 17 . 1 1 459 459 SER N N 459 114.502 114.502 113.196 1.306 19771 4084 1 17 . 1 1 459 459 SER HA H 459 4.424 4.424 4.034 0.390 19771 4085 1 17 . 1 1 459 459 SER CA C 459 62.116 62.116 61.016 1.100 19771 4086 1 17 . 1 1 459 459 SER CB C 459 62.828 62.828 62.853 -0.025 19771 4087 1 17 . 1 1 459 459 SER H H 459 8.482 8.482 8.290 0.192 19771 4088 1 17 . 1 1 460 460 CYS N N 460 126.957 126.957 116.726 10.231 19771 4089 1 17 . 1 1 460 460 CYS HA H 460 4.402 4.402 3.889 0.513 19771 4090 1 17 . 1 1 460 460 CYS CA C 460 65.041 65.041 58.093 6.948 19771 4091 1 17 . 1 1 460 460 CYS CB C 460 30.694 30.694 26.321 4.373 19771 4092 1 17 . 1 1 460 460 CYS H H 460 9.474 9.474 7.413 2.061 19771 4093 1 17 . 1 1 461 461 TRP N N 461 121.032 121.032 123.848 -2.816 19771 4094 1 17 . 1 1 461 461 TRP HA H 461 3.259 3.259 4.060 -0.801 19771 4095 1 17 . 1 1 461 461 TRP CA C 461 62.794 62.794 60.801 1.993 19771 4096 1 17 . 1 1 461 461 TRP CB C 461 27.672 27.672 28.901 -1.229 19771 4097 1 17 . 1 1 461 461 TRP H H 461 9.553 9.553 8.454 1.099 19771 4098 1 17 . 1 1 462 462 HIS N N 462 119.358 119.358 115.578 3.780 19771 4099 1 17 . 1 1 462 462 HIS HA H 462 4.280 4.280 4.579 -0.299 19771 4100 1 17 . 1 1 462 462 HIS CA C 462 59.828 59.828 58.691 1.137 19771 4101 1 17 . 1 1 462 462 HIS CB C 462 30.330 30.330 29.218 1.112 19771 4102 1 17 . 1 1 462 462 HIS H H 462 8.007 8.007 7.452 0.555 19771 4103 1 17 . 1 1 463 463 TRP N N 463 121.005 121.005 117.719 3.286 19771 4104 1 17 . 1 1 463 463 TRP HA H 463 4.179 4.179 4.661 -0.482 19771 4105 1 17 . 1 1 463 463 TRP CA C 463 60.915 60.915 58.122 2.793 19771 4106 1 17 . 1 1 463 463 TRP CB C 463 28.556 28.556 28.562 -0.006 19771 4107 1 17 . 1 1 463 463 TRP H H 463 8.146 8.146 7.444 0.702 19771 4108 1 17 . 1 1 464 464 ARG N N 464 117.937 117.937 114.975 2.962 19771 4109 1 17 . 1 1 464 464 ARG HA H 464 3.160 3.160 4.258 -1.098 19771 4110 1 17 . 1 1 464 464 ARG CA C 464 57.153 57.153 55.411 1.742 19771 4111 1 17 . 1 1 464 464 ARG CB C 464 29.998 29.998 30.101 -0.103 19771 4112 1 17 . 1 1 464 464 ARG H H 464 8.136 8.136 7.259 0.877 19771 4113 1 17 . 1 1 465 465 HIS N N 465 109.139 109.139 115.629 -6.490 19771 4114 1 17 . 1 1 465 465 HIS HA H 465 3.729 3.729 4.639 -0.910 19771 4115 1 17 . 1 1 465 465 HIS CA C 465 58.797 58.797 55.417 3.380 19771 4116 1 17 . 1 1 465 465 HIS CB C 465 25.377 25.377 30.720 -5.343 19771 4117 1 17 . 1 1 465 465 HIS H H 465 7.359 7.359 7.571 -0.212 19771 4118 1 17 . 1 1 466 466 SER N N 466 112.123 112.123 115.964 -3.841 19771 4119 1 17 . 1 1 466 466 SER HA H 466 4.273 4.273 4.293 -0.020 19771 4120 1 17 . 1 1 466 466 SER CA C 466 58.999 58.999 60.400 -1.401 19771 4121 1 17 . 1 1 466 466 SER CB C 466 63.431 63.431 63.645 -0.214 19771 4122 1 17 . 1 1 466 466 SER H H 466 6.897 6.897 7.810 -0.913 19771 4123 1 17 . 1 1 467 467 MET N N 467 121.282 121.282 118.445 2.837 19771 4124 1 17 . 1 1 467 467 MET HA H 467 4.133 4.133 4.612 -0.479 19771 4125 1 17 . 1 1 467 467 MET CA C 467 55.435 55.435 56.056 -0.621 19771 4126 1 17 . 1 1 467 467 MET CB C 467 33.206 33.206 33.894 -0.688 19771 4127 1 17 . 1 1 467 467 MET H H 467 6.766 6.766 7.582 -0.816 19771 4128 1 17 . 1 1 468 468 GLU N N 468 122.864 122.864 124.186 -1.322 19771 4129 1 17 . 1 1 468 468 GLU HA H 468 3.754 3.754 4.085 -0.331 19771 4130 1 17 . 1 1 468 468 GLU CA C 468 58.708 58.708 58.658 0.050 19771 4131 1 17 . 1 1 468 468 GLU CB C 468 29.457 29.457 29.273 0.183 19771 4132 1 17 . 1 1 468 468 GLU H H 468 8.455 8.455 8.978 -0.523 19771 4133 1 17 . 1 1 469 469 GLY N N 469 112.643 112.643 106.698 5.945 19771 4134 1 17 . 1 1 469 469 GLY CA C 469 45.398 45.398 45.910 -0.512 19771 4135 1 17 . 1 1 469 469 GLY H H 469 8.893 8.893 8.120 0.773 19771 4136 1 17 . 1 1 470 470 LEU N N 470 118.167 118.167 118.112 0.055 19771 4137 1 17 . 1 1 470 470 LEU HA H 470 3.862 3.862 4.423 -0.561 19771 4138 1 17 . 1 1 470 470 LEU CA C 470 54.284 54.284 53.239 1.045 19771 4139 1 17 . 1 1 470 470 LEU CB C 470 42.923 42.923 41.807 1.116 19771 4140 1 17 . 1 1 470 470 LEU H H 470 7.642 7.642 7.436 0.206 19771 4141 1 17 . 1 1 471 471 ARG N N 471 115.958 115.958 119.134 -3.176 19771 4142 1 17 . 1 1 471 471 ARG HA H 471 4.328 4.328 4.096 0.232 19771 4143 1 17 . 1 1 471 471 ARG CA C 471 58.357 58.357 58.090 0.267 19771 4144 1 17 . 1 1 471 471 ARG CB C 471 30.183 30.183 30.077 0.106 19771 4145 1 17 . 1 1 471 471 ARG H H 471 7.256 7.256 7.412 -0.156 19771 4146 1 17 . 1 1 472 472 HIS N N 472 113.710 113.710 114.468 -0.758 19771 4147 1 17 . 1 1 472 472 HIS HA H 472 4.635 4.635 4.658 -0.023 19771 4148 1 17 . 1 1 472 472 HIS CA C 472 56.199 56.199 55.643 0.556 19771 4149 1 17 . 1 1 472 472 HIS CB C 472 30.157 30.157 28.803 1.354 19771 4150 1 17 . 1 1 472 472 HIS H H 472 8.410 8.410 7.849 0.561 19771 4151 1 17 . 1 1 473 473 HIS N N 473 122.456 122.456 120.515 1.941 19771 4152 1 17 . 1 1 473 473 HIS HA H 473 4.418 4.418 4.415 0.003 19771 4153 1 17 . 1 1 473 473 HIS CA C 473 55.485 55.485 55.967 -0.482 19771 4154 1 17 . 1 1 473 473 HIS CB C 473 31.291 31.291 30.381 0.910 19771 4155 1 17 . 1 1 473 473 HIS H H 473 6.899 6.899 7.275 -0.376 19771 4156 1 17 . 1 1 474 474 SER N N 474 117.590 117.590 115.549 2.041 19771 4157 1 17 . 1 1 474 474 SER HA H 474 5.065 5.065 4.847 0.218 19771 4158 1 17 . 1 1 474 474 SER CA C 474 55.164 55.164 55.462 -0.298 19771 4159 1 17 . 1 1 474 474 SER CB C 474 64.749 64.749 65.140 -0.391 19771 4160 1 17 . 1 1 474 474 SER H H 474 8.600 8.600 8.239 0.361 19771 4161 1 17 . 1 1 475 475 PRO HA H 475 4.258 4.258 4.304 -0.046 19771 4162 1 17 . 1 1 475 475 PRO CA C 475 62.975 62.975 62.763 0.212 19771 4163 1 17 . 1 1 475 475 PRO CB C 475 31.696 31.696 31.858 -0.162 19771 4164 1 17 . 1 1 476 476 LEU N N 476 123.672 123.672 122.262 1.410 19771 4165 1 17 . 1 1 476 476 LEU CB C 476 44.146 44.146 45.923 -1.778 19771 4166 1 17 . 1 1 476 476 LEU H H 476 8.843 8.843 8.322 0.521 19771 4167 1 17 . 1 1 477 477 MET N N 477 122.428 122.428 121.378 1.050 19771 4168 1 17 . 1 1 477 477 MET HA H 477 4.918 4.918 5.024 -0.106 19771 4169 1 17 . 1 1 477 477 MET CA C 477 54.604 54.604 54.032 0.572 19771 4170 1 17 . 1 1 477 477 MET CB C 477 34.225 34.225 34.159 0.066 19771 4171 1 17 . 1 1 477 477 MET H H 477 8.564 8.564 8.325 0.239 19771 4172 1 17 . 1 1 478 478 ARG N N 478 123.419 123.419 123.131 0.288 19771 4173 1 17 . 1 1 478 478 ARG CB C 478 32.024 32.024 30.554 1.470 19771 4174 1 17 . 1 1 478 478 ARG H H 478 8.825 8.825 8.597 0.228 19771 4175 1 17 . 1 1 481 481 LYS N N 481 122.000 122.000 120.428 1.572 19771 4176 1 17 . 1 1 481 481 LYS H H 481 8.284 8.284 8.325 -0.041 19771 4177 1 17 . 1 1 482 482 ASN N N 482 119.466 119.466 120.072 -0.606 19771 4178 1 17 . 1 1 482 482 ASN H H 482 8.379 8.379 8.473 -0.094 19771 4179 1 17 . 1 1 483 483 ARG N N 483 121.400 121.400 119.035 2.365 19771 4180 1 17 . 1 1 483 483 ARG H H 483 8.302 8.302 8.244 0.058 19771 4181 1 17 . 1 1 485 485 SER N N 485 115.800 115.800 116.849 -1.049 19771 4182 1 17 . 1 1 485 485 SER H H 485 8.112 8.112 8.371 -0.259 19771 4183 1 18 . 1 1 427 427 ASP N N 427 125.779 125.779 126.865 -1.086 19771 4184 1 18 . 1 1 427 427 ASP HA H 427 4.829 4.829 4.769 0.060 19771 4185 1 18 . 1 1 427 427 ASP CA C 427 52.150 52.150 53.316 -1.166 19771 4186 1 18 . 1 1 427 427 ASP CB C 427 41.537 41.537 41.079 0.458 19771 4187 1 18 . 1 1 427 427 ASP H H 427 8.293 8.293 8.398 -0.105 19771 4188 1 18 . 1 1 428 428 PRO HA H 428 4.229 4.229 4.325 -0.096 19771 4189 1 18 . 1 1 428 428 PRO CA C 428 63.337 63.337 62.706 0.631 19771 4190 1 18 . 1 1 428 428 PRO CB C 428 32.019 32.019 32.279 -0.260 19771 4191 1 18 . 1 1 429 429 TYR N N 429 119.152 119.152 117.247 1.905 19771 4192 1 18 . 1 1 429 429 TYR HA H 429 4.421 4.421 4.659 -0.238 19771 4193 1 18 . 1 1 429 429 TYR CA C 429 57.961 57.961 57.535 0.425 19771 4194 1 18 . 1 1 429 429 TYR CB C 429 37.968 37.968 39.028 -1.060 19771 4195 1 18 . 1 1 429 429 TYR H H 429 8.136 8.136 8.236 -0.100 19771 4196 1 18 . 1 1 430 430 LEU N N 430 122.733 122.733 122.302 0.431 19771 4197 1 18 . 1 1 430 430 LEU HA H 430 4.205 4.205 4.441 -0.236 19771 4198 1 18 . 1 1 430 430 LEU CA C 430 54.950 54.950 55.403 -0.453 19771 4199 1 18 . 1 1 430 430 LEU CB C 430 42.474 42.474 43.208 -0.734 19771 4200 1 18 . 1 1 430 430 LEU H H 430 7.596 7.596 7.842 -0.246 19771 4201 1 18 . 1 1 431 431 GLU N N 431 120.614 120.614 119.443 1.171 19771 4202 1 18 . 1 1 431 431 GLU H H 431 8.157 8.157 8.098 0.059 19771 4203 1 18 . 1 1 432 432 ASP HA H 432 4.387 4.387 4.428 -0.041 19771 4204 1 18 . 1 1 432 432 ASP CA C 432 54.365 54.365 55.218 -0.853 19771 4205 1 18 . 1 1 432 432 ASP CB C 432 41.027 41.027 40.855 0.172 19771 4206 1 18 . 1 1 433 433 SER N N 433 116.511 116.511 112.394 4.117 19771 4207 1 18 . 1 1 433 433 SER HA H 433 4.222 4.222 3.994 0.228 19771 4208 1 18 . 1 1 433 433 SER CA C 433 57.811 57.811 57.410 0.402 19771 4209 1 18 . 1 1 433 433 SER CB C 433 64.342 64.342 61.733 2.608 19771 4210 1 18 . 1 1 433 433 SER H H 433 7.926 7.926 7.600 0.326 19771 4211 1 18 . 1 1 434 434 LEU N N 434 124.239 124.239 123.232 1.007 19771 4212 1 18 . 1 1 434 434 LEU HA H 434 4.301 4.301 4.162 0.139 19771 4213 1 18 . 1 1 434 434 LEU CA C 434 54.780 54.780 56.060 -1.280 19771 4214 1 18 . 1 1 434 434 LEU CB C 434 43.682 43.682 42.672 1.010 19771 4215 1 18 . 1 1 434 434 LEU H H 434 8.161 8.161 7.147 1.014 19771 4216 1 18 . 1 1 435 435 CYS N N 435 121.658 121.658 124.061 -2.403 19771 4217 1 18 . 1 1 435 435 CYS HA H 435 3.767 3.767 4.365 -0.598 19771 4218 1 18 . 1 1 435 435 CYS CA C 435 60.505 60.505 59.594 0.911 19771 4219 1 18 . 1 1 435 435 CYS CB C 435 31.833 31.833 27.722 4.111 19771 4220 1 18 . 1 1 435 435 CYS H H 435 8.341 8.341 8.207 0.134 19771 4221 1 18 . 1 1 436 436 HIS N N 436 129.654 129.654 128.473 1.181 19771 4222 1 18 . 1 1 436 436 HIS HA H 436 4.436 4.436 4.544 -0.108 19771 4223 1 18 . 1 1 436 436 HIS CA C 436 58.775 58.775 58.139 0.636 19771 4224 1 18 . 1 1 436 436 HIS CB C 436 32.431 32.431 29.358 3.073 19771 4225 1 18 . 1 1 436 436 HIS H H 436 9.087 9.087 8.832 0.255 19771 4226 1 18 . 1 1 437 437 ILE N N 437 121.647 121.647 116.383 5.264 19771 4227 1 18 . 1 1 437 437 ILE HA H 437 4.122 4.122 4.412 -0.290 19771 4228 1 18 . 1 1 437 437 ILE CA C 437 61.632 61.632 61.654 -0.022 19771 4229 1 18 . 1 1 437 437 ILE CB C 437 35.149 35.149 39.604 -4.455 19771 4230 1 18 . 1 1 437 437 ILE H H 437 9.294 9.294 7.667 1.627 19771 4231 1 18 . 1 1 438 438 CYS N N 438 118.756 118.756 118.243 0.513 19771 4232 1 18 . 1 1 438 438 CYS HA H 438 4.719 4.719 4.808 -0.089 19771 4233 1 18 . 1 1 438 438 CYS CB C 438 31.931 31.931 29.749 2.182 19771 4234 1 18 . 1 1 438 438 CYS H H 438 8.503 8.503 7.910 0.593 19771 4235 1 18 . 1 1 439 439 SER N N 439 116.341 116.341 117.077 -0.736 19771 4236 1 18 . 1 1 439 439 SER HA H 439 4.348 4.348 4.090 0.258 19771 4237 1 18 . 1 1 439 439 SER CA C 439 60.131 60.131 59.624 0.507 19771 4238 1 18 . 1 1 439 439 SER CB C 439 62.642 62.642 61.660 0.982 19771 4239 1 18 . 1 1 439 439 SER H H 439 7.561 7.561 8.366 -0.805 19771 4240 1 18 . 1 1 440 440 SER N N 440 113.455 113.455 113.952 -0.497 19771 4241 1 18 . 1 1 440 440 SER HA H 440 4.777 4.777 4.586 0.191 19771 4242 1 18 . 1 1 440 440 SER CA C 440 58.703 58.703 59.056 -0.353 19771 4243 1 18 . 1 1 440 440 SER CB C 440 65.681 65.681 63.998 1.683 19771 4244 1 18 . 1 1 440 440 SER H H 440 8.272 8.272 8.243 0.029 19771 4245 1 18 . 1 1 441 441 GLN N N 441 118.674 118.674 117.775 0.899 19771 4246 1 18 . 1 1 441 441 GLN HA H 441 4.865 4.865 4.721 0.144 19771 4247 1 18 . 1 1 441 441 GLN CA C 441 52.802 52.802 52.882 -0.080 19771 4248 1 18 . 1 1 441 441 GLN CB C 441 30.560 30.560 28.721 1.839 19771 4249 1 18 . 1 1 441 441 GLN H H 441 7.355 7.355 7.716 -0.361 19771 4250 1 18 . 1 1 442 442 PRO HA H 442 4.349 4.349 4.290 0.059 19771 4251 1 18 . 1 1 442 442 PRO CA C 442 63.693 63.693 63.356 0.337 19771 4252 1 18 . 1 1 442 442 PRO CB C 442 32.549 32.549 31.001 1.548 19771 4253 1 18 . 1 1 443 443 GLY N N 443 110.126 110.126 112.990 -2.864 19771 4254 1 18 . 1 1 443 443 GLY CA C 443 46.097 46.097 43.879 2.219 19771 4255 1 18 . 1 1 443 443 GLY H H 443 8.819 8.819 7.998 0.821 19771 4256 1 18 . 1 1 444 444 PRO HA H 444 4.387 4.387 4.223 0.164 19771 4257 1 18 . 1 1 444 444 PRO CA C 444 63.025 63.025 63.601 -0.576 19771 4258 1 18 . 1 1 444 444 PRO CB C 444 32.737 32.737 31.729 1.008 19771 4259 1 18 . 1 1 445 445 PHE N N 445 116.262 116.262 118.098 -1.836 19771 4260 1 18 . 1 1 445 445 PHE HA H 445 4.962 4.962 5.238 -0.276 19771 4261 1 18 . 1 1 445 445 PHE CA C 445 56.014 56.014 56.349 -0.335 19771 4262 1 18 . 1 1 445 445 PHE CB C 445 40.028 40.028 42.870 -2.842 19771 4263 1 18 . 1 1 445 445 PHE H H 445 8.066 8.066 7.971 0.095 19771 4264 1 18 . 1 1 446 446 PHE N N 446 126.081 126.081 121.113 4.968 19771 4265 1 18 . 1 1 446 446 PHE HA H 446 5.050 5.050 5.454 -0.404 19771 4266 1 18 . 1 1 446 446 PHE CA C 446 56.775 56.775 56.873 -0.097 19771 4267 1 18 . 1 1 446 446 PHE CB C 446 41.731 41.731 43.022 -1.291 19771 4268 1 18 . 1 1 446 446 PHE H H 446 9.446 9.446 8.344 1.102 19771 4269 1 18 . 1 1 447 447 CYS N N 447 128.746 128.746 122.000 6.746 19771 4270 1 18 . 1 1 447 447 CYS HA H 447 4.874 4.874 4.897 -0.023 19771 4271 1 18 . 1 1 447 447 CYS CA C 447 58.263 58.263 57.411 0.852 19771 4272 1 18 . 1 1 447 447 CYS CB C 447 30.994 30.994 30.406 0.588 19771 4273 1 18 . 1 1 447 447 CYS H H 447 7.729 7.729 7.997 -0.268 19771 4274 1 18 . 1 1 448 448 ARG N N 448 125.530 125.530 121.855 3.675 19771 4275 1 18 . 1 1 448 448 ARG HA H 448 4.080 4.080 4.529 -0.449 19771 4276 1 18 . 1 1 448 448 ARG CA C 448 55.854 55.854 57.808 -1.954 19771 4277 1 18 . 1 1 448 448 ARG CB C 448 31.200 31.200 30.693 0.507 19771 4278 1 18 . 1 1 448 448 ARG H H 448 8.783 8.783 9.034 -0.251 19771 4279 1 18 . 1 1 449 449 ASP N N 449 123.969 123.969 119.365 4.604 19771 4280 1 18 . 1 1 449 449 ASP HA H 449 4.155 4.155 4.627 -0.472 19771 4281 1 18 . 1 1 449 449 ASP CA C 449 56.118 56.118 54.133 1.984 19771 4282 1 18 . 1 1 449 449 ASP CB C 449 43.634 43.634 41.067 2.567 19771 4283 1 18 . 1 1 449 449 ASP H H 449 8.117 8.117 7.607 0.510 19771 4284 1 18 . 1 1 450 450 GLN N N 450 125.410 125.410 121.475 3.935 19771 4285 1 18 . 1 1 450 450 GLN HA H 450 3.832 3.832 4.084 -0.252 19771 4286 1 18 . 1 1 450 450 GLN CA C 450 59.127 59.127 58.112 1.015 19771 4287 1 18 . 1 1 450 450 GLN CB C 450 28.699 28.699 28.845 -0.146 19771 4288 1 18 . 1 1 450 450 GLN H H 450 8.670 8.670 8.658 0.012 19771 4289 1 18 . 1 1 451 451 VAL N N 451 113.164 113.164 114.033 -0.869 19771 4290 1 18 . 1 1 451 451 VAL HA H 451 4.240 4.240 4.125 0.115 19771 4291 1 18 . 1 1 451 451 VAL CA C 451 63.199 63.199 63.178 0.021 19771 4292 1 18 . 1 1 451 451 VAL CB C 451 31.439 31.439 31.555 -0.116 19771 4293 1 18 . 1 1 451 451 VAL H H 451 8.591 8.591 7.926 0.665 19771 4294 1 18 . 1 1 452 452 CYS N N 452 120.986 120.986 115.445 5.541 19771 4295 1 18 . 1 1 452 452 CYS HA H 452 4.502 4.502 4.937 -0.435 19771 4296 1 18 . 1 1 452 452 CYS CA C 452 60.474 60.474 56.115 4.359 19771 4297 1 18 . 1 1 452 452 CYS CB C 452 31.715 31.715 27.314 4.401 19771 4298 1 18 . 1 1 452 452 CYS H H 452 7.963 7.963 7.407 0.556 19771 4299 1 18 . 1 1 453 453 PHE N N 453 129.406 129.406 124.492 4.914 19771 4300 1 18 . 1 1 453 453 PHE HA H 453 4.121 4.121 4.494 -0.373 19771 4301 1 18 . 1 1 453 453 PHE CA C 453 59.700 59.700 57.724 1.976 19771 4302 1 18 . 1 1 453 453 PHE CB C 453 38.328 38.328 37.347 0.981 19771 4303 1 18 . 1 1 453 453 PHE H H 453 7.880 7.880 8.652 -0.772 19771 4304 1 18 . 1 1 454 454 LYS N N 454 113.628 113.628 118.657 -5.029 19771 4305 1 18 . 1 1 454 454 LYS HA H 454 4.423 4.423 4.339 0.084 19771 4306 1 18 . 1 1 454 454 LYS CA C 454 54.050 54.050 53.792 0.258 19771 4307 1 18 . 1 1 454 454 LYS CB C 454 37.833 37.833 36.431 1.402 19771 4308 1 18 . 1 1 454 454 LYS H H 454 6.384 6.384 7.660 -1.276 19771 4309 1 18 . 1 1 455 455 TYR N N 455 117.756 117.756 117.688 0.068 19771 4310 1 18 . 1 1 455 455 TYR HA H 455 5.111 5.111 5.296 -0.185 19771 4311 1 18 . 1 1 455 455 TYR CA C 455 58.616 58.616 58.942 -0.326 19771 4312 1 18 . 1 1 455 455 TYR CB C 455 39.956 39.956 39.991 -0.035 19771 4313 1 18 . 1 1 455 455 TYR H H 455 7.100 7.100 8.155 -1.055 19771 4314 1 18 . 1 1 456 456 PHE N N 456 117.529 117.529 117.805 -0.276 19771 4315 1 18 . 1 1 456 456 PHE HA H 456 6.342 6.342 5.221 1.121 19771 4316 1 18 . 1 1 456 456 PHE CA C 456 57.017 57.017 56.796 0.221 19771 4317 1 18 . 1 1 456 456 PHE CB C 456 45.138 45.138 44.296 0.842 19771 4318 1 18 . 1 1 456 456 PHE H H 456 9.527 9.527 9.325 0.202 19771 4319 1 18 . 1 1 457 457 CYS N N 457 119.575 119.575 117.624 1.951 19771 4320 1 18 . 1 1 457 457 CYS HA H 457 5.435 5.435 5.196 0.239 19771 4321 1 18 . 1 1 457 457 CYS CA C 457 58.044 58.044 55.996 2.048 19771 4322 1 18 . 1 1 457 457 CYS CB C 457 32.277 32.277 31.512 0.765 19771 4323 1 18 . 1 1 457 457 CYS H H 457 9.710 9.710 9.015 0.695 19771 4324 1 18 . 1 1 458 458 ARG N N 458 120.479 120.479 121.927 -1.448 19771 4325 1 18 . 1 1 458 458 ARG HA H 458 3.750 3.750 3.848 -0.098 19771 4326 1 18 . 1 1 458 458 ARG CA C 458 60.863 60.863 60.434 0.429 19771 4327 1 18 . 1 1 458 458 ARG CB C 458 30.407 30.407 30.247 0.160 19771 4328 1 18 . 1 1 458 458 ARG H H 458 9.300 9.300 9.013 0.287 19771 4329 1 18 . 1 1 459 459 SER N N 459 114.502 114.502 113.889 0.613 19771 4330 1 18 . 1 1 459 459 SER HA H 459 4.424 4.424 4.002 0.422 19771 4331 1 18 . 1 1 459 459 SER CA C 459 62.116 62.116 61.421 0.695 19771 4332 1 18 . 1 1 459 459 SER CB C 459 62.828 62.828 62.864 -0.036 19771 4333 1 18 . 1 1 459 459 SER H H 459 8.482 8.482 8.458 0.024 19771 4334 1 18 . 1 1 460 460 CYS N N 460 126.957 126.957 116.286 10.671 19771 4335 1 18 . 1 1 460 460 CYS HA H 460 4.402 4.402 4.365 0.037 19771 4336 1 18 . 1 1 460 460 CYS CA C 460 65.041 65.041 58.324 6.717 19771 4337 1 18 . 1 1 460 460 CYS CB C 460 30.694 30.694 27.063 3.631 19771 4338 1 18 . 1 1 460 460 CYS H H 460 9.474 9.474 7.546 1.928 19771 4339 1 18 . 1 1 461 461 TRP N N 461 121.032 121.032 124.082 -3.050 19771 4340 1 18 . 1 1 461 461 TRP HA H 461 3.259 3.259 4.035 -0.776 19771 4341 1 18 . 1 1 461 461 TRP CA C 461 62.794 62.794 60.999 1.794 19771 4342 1 18 . 1 1 461 461 TRP CB C 461 27.672 27.672 29.033 -1.361 19771 4343 1 18 . 1 1 461 461 TRP H H 461 9.553 9.553 8.695 0.858 19771 4344 1 18 . 1 1 462 462 HIS N N 462 119.358 119.358 115.572 3.786 19771 4345 1 18 . 1 1 462 462 HIS HA H 462 4.280 4.280 4.448 -0.168 19771 4346 1 18 . 1 1 462 462 HIS CA C 462 59.828 59.828 59.349 0.479 19771 4347 1 18 . 1 1 462 462 HIS CB C 462 30.330 30.330 29.469 0.861 19771 4348 1 18 . 1 1 462 462 HIS H H 462 8.007 8.007 7.392 0.615 19771 4349 1 18 . 1 1 463 463 TRP N N 463 121.005 121.005 118.418 2.587 19771 4350 1 18 . 1 1 463 463 TRP HA H 463 4.179 4.179 4.597 -0.418 19771 4351 1 18 . 1 1 463 463 TRP CA C 463 60.915 60.915 58.696 2.219 19771 4352 1 18 . 1 1 463 463 TRP CB C 463 28.556 28.556 28.515 0.041 19771 4353 1 18 . 1 1 463 463 TRP H H 463 8.146 8.146 7.466 0.680 19771 4354 1 18 . 1 1 464 464 ARG N N 464 117.937 117.937 114.722 3.215 19771 4355 1 18 . 1 1 464 464 ARG HA H 464 3.160 3.160 4.180 -1.020 19771 4356 1 18 . 1 1 464 464 ARG CA C 464 57.153 57.153 55.380 1.772 19771 4357 1 18 . 1 1 464 464 ARG CB C 464 29.998 29.998 30.226 -0.228 19771 4358 1 18 . 1 1 464 464 ARG H H 464 8.136 8.136 7.182 0.954 19771 4359 1 18 . 1 1 465 465 HIS N N 465 109.139 109.139 115.683 -6.544 19771 4360 1 18 . 1 1 465 465 HIS HA H 465 3.729 3.729 4.498 -0.769 19771 4361 1 18 . 1 1 465 465 HIS CA C 465 58.797 58.797 55.507 3.291 19771 4362 1 18 . 1 1 465 465 HIS CB C 465 25.377 25.377 30.715 -5.338 19771 4363 1 18 . 1 1 465 465 HIS H H 465 7.359 7.359 7.506 -0.147 19771 4364 1 18 . 1 1 466 466 SER N N 466 112.123 112.123 116.624 -4.501 19771 4365 1 18 . 1 1 466 466 SER HA H 466 4.273 4.273 4.314 -0.041 19771 4366 1 18 . 1 1 466 466 SER CA C 466 58.999 58.999 59.868 -0.869 19771 4367 1 18 . 1 1 466 466 SER CB C 466 63.431 63.431 63.311 0.120 19771 4368 1 18 . 1 1 466 466 SER H H 466 6.897 6.897 7.958 -1.061 19771 4369 1 18 . 1 1 467 467 MET N N 467 121.282 121.282 118.573 2.709 19771 4370 1 18 . 1 1 467 467 MET HA H 467 4.133 4.133 4.591 -0.458 19771 4371 1 18 . 1 1 467 467 MET CA C 467 55.435 55.435 56.014 -0.579 19771 4372 1 18 . 1 1 467 467 MET CB C 467 33.206 33.206 33.978 -0.772 19771 4373 1 18 . 1 1 467 467 MET H H 467 6.766 6.766 7.851 -1.085 19771 4374 1 18 . 1 1 468 468 GLU N N 468 122.864 122.864 122.023 0.841 19771 4375 1 18 . 1 1 468 468 GLU HA H 468 3.754 3.754 4.160 -0.406 19771 4376 1 18 . 1 1 468 468 GLU CA C 468 58.708 58.708 58.443 0.265 19771 4377 1 18 . 1 1 468 468 GLU CB C 468 29.457 29.457 28.474 0.983 19771 4378 1 18 . 1 1 468 468 GLU H H 468 8.455 8.455 8.937 -0.482 19771 4379 1 18 . 1 1 469 469 GLY N N 469 112.643 112.643 107.442 5.201 19771 4380 1 18 . 1 1 469 469 GLY CA C 469 45.398 45.398 45.650 -0.252 19771 4381 1 18 . 1 1 469 469 GLY H H 469 8.893 8.893 8.000 0.893 19771 4382 1 18 . 1 1 470 470 LEU N N 470 118.167 118.167 118.219 -0.052 19771 4383 1 18 . 1 1 470 470 LEU HA H 470 3.862 3.862 4.455 -0.593 19771 4384 1 18 . 1 1 470 470 LEU CA C 470 54.284 54.284 53.230 1.054 19771 4385 1 18 . 1 1 470 470 LEU CB C 470 42.923 42.923 41.769 1.154 19771 4386 1 18 . 1 1 470 470 LEU H H 470 7.642 7.642 7.256 0.386 19771 4387 1 18 . 1 1 471 471 ARG N N 471 115.958 115.958 118.534 -2.576 19771 4388 1 18 . 1 1 471 471 ARG HA H 471 4.328 4.328 4.072 0.256 19771 4389 1 18 . 1 1 471 471 ARG CA C 471 58.357 58.357 57.488 0.869 19771 4390 1 18 . 1 1 471 471 ARG CB C 471 30.183 30.183 29.729 0.454 19771 4391 1 18 . 1 1 471 471 ARG H H 471 7.256 7.256 7.872 -0.616 19771 4392 1 18 . 1 1 472 472 HIS N N 472 113.710 113.710 112.473 1.237 19771 4393 1 18 . 1 1 472 472 HIS HA H 472 4.635 4.635 4.671 -0.036 19771 4394 1 18 . 1 1 472 472 HIS CA C 472 56.199 56.199 55.429 0.770 19771 4395 1 18 . 1 1 472 472 HIS CB C 472 30.157 30.157 29.250 0.907 19771 4396 1 18 . 1 1 472 472 HIS H H 472 8.410 8.410 8.048 0.362 19771 4397 1 18 . 1 1 473 473 HIS N N 473 122.456 122.456 120.295 2.161 19771 4398 1 18 . 1 1 473 473 HIS HA H 473 4.418 4.418 4.420 -0.002 19771 4399 1 18 . 1 1 473 473 HIS CA C 473 55.485 55.485 56.187 -0.702 19771 4400 1 18 . 1 1 473 473 HIS CB C 473 31.291 31.291 30.427 0.864 19771 4401 1 18 . 1 1 473 473 HIS H H 473 6.899 6.899 7.068 -0.169 19771 4402 1 18 . 1 1 474 474 SER N N 474 117.590 117.590 116.973 0.617 19771 4403 1 18 . 1 1 474 474 SER HA H 474 5.065 5.065 4.940 0.125 19771 4404 1 18 . 1 1 474 474 SER CA C 474 55.164 55.164 54.813 0.351 19771 4405 1 18 . 1 1 474 474 SER CB C 474 64.749 64.749 64.572 0.177 19771 4406 1 18 . 1 1 474 474 SER H H 474 8.600 8.600 8.687 -0.087 19771 4407 1 18 . 1 1 475 475 PRO HA H 475 4.258 4.258 4.558 -0.300 19771 4408 1 18 . 1 1 475 475 PRO CA C 475 62.975 62.975 62.778 0.197 19771 4409 1 18 . 1 1 475 475 PRO CB C 475 31.696 31.696 32.338 -0.642 19771 4410 1 18 . 1 1 476 476 LEU N N 476 123.672 123.672 121.723 1.949 19771 4411 1 18 . 1 1 476 476 LEU CB C 476 44.146 44.146 46.064 -1.918 19771 4412 1 18 . 1 1 476 476 LEU H H 476 8.843 8.843 8.241 0.602 19771 4413 1 18 . 1 1 477 477 MET N N 477 122.428 122.428 121.136 1.292 19771 4414 1 18 . 1 1 477 477 MET HA H 477 4.918 4.918 4.935 -0.017 19771 4415 1 18 . 1 1 477 477 MET CA C 477 54.604 54.604 54.828 -0.224 19771 4416 1 18 . 1 1 477 477 MET CB C 477 34.225 34.225 35.517 -1.292 19771 4417 1 18 . 1 1 477 477 MET H H 477 8.564 8.564 8.592 -0.028 19771 4418 1 18 . 1 1 478 478 ARG N N 478 123.419 123.419 119.582 3.837 19771 4419 1 18 . 1 1 478 478 ARG CB C 478 32.024 32.024 30.483 1.541 19771 4420 1 18 . 1 1 478 478 ARG H H 478 8.825 8.825 8.579 0.246 19771 4421 1 18 . 1 1 481 481 LYS N N 481 122.000 122.000 119.967 2.033 19771 4422 1 18 . 1 1 481 481 LYS H H 481 8.284 8.284 8.144 0.140 19771 4423 1 18 . 1 1 482 482 ASN N N 482 119.466 119.466 120.123 -0.657 19771 4424 1 18 . 1 1 482 482 ASN H H 482 8.379 8.379 8.683 -0.304 19771 4425 1 18 . 1 1 483 483 ARG N N 483 121.400 121.400 119.420 1.980 19771 4426 1 18 . 1 1 483 483 ARG H H 483 8.302 8.302 7.804 0.498 19771 4427 1 18 . 1 1 485 485 SER N N 485 115.800 115.800 115.610 0.190 19771 4428 1 18 . 1 1 485 485 SER H H 485 8.112 8.112 7.894 0.218 19771 4429 1 19 . 1 1 427 427 ASP N N 427 125.779 125.779 123.438 2.341 19771 4430 1 19 . 1 1 427 427 ASP HA H 427 4.829 4.829 5.300 -0.471 19771 4431 1 19 . 1 1 427 427 ASP CA C 427 52.150 52.150 53.315 -1.165 19771 4432 1 19 . 1 1 427 427 ASP CB C 427 41.537 41.537 43.428 -1.891 19771 4433 1 19 . 1 1 427 427 ASP H H 427 8.293 8.293 9.128 -0.835 19771 4434 1 19 . 1 1 428 428 PRO HA H 428 4.229 4.229 4.606 -0.377 19771 4435 1 19 . 1 1 428 428 PRO CA C 428 63.337 63.337 62.869 0.468 19771 4436 1 19 . 1 1 428 428 PRO CB C 428 32.019 32.019 32.488 -0.469 19771 4437 1 19 . 1 1 429 429 TYR N N 429 119.152 119.152 116.351 2.801 19771 4438 1 19 . 1 1 429 429 TYR HA H 429 4.421 4.421 4.829 -0.408 19771 4439 1 19 . 1 1 429 429 TYR CA C 429 57.961 57.961 57.236 0.725 19771 4440 1 19 . 1 1 429 429 TYR CB C 429 37.968 37.968 39.742 -1.774 19771 4441 1 19 . 1 1 429 429 TYR H H 429 8.136 8.136 7.630 0.506 19771 4442 1 19 . 1 1 430 430 LEU N N 430 122.733 122.733 121.096 1.637 19771 4443 1 19 . 1 1 430 430 LEU HA H 430 4.205 4.205 4.710 -0.505 19771 4444 1 19 . 1 1 430 430 LEU CA C 430 54.950 54.950 54.961 -0.011 19771 4445 1 19 . 1 1 430 430 LEU CB C 430 42.474 42.474 42.647 -0.173 19771 4446 1 19 . 1 1 430 430 LEU H H 430 7.596 7.596 8.379 -0.783 19771 4447 1 19 . 1 1 431 431 GLU N N 431 120.614 120.614 118.705 1.909 19771 4448 1 19 . 1 1 431 431 GLU H H 431 8.157 8.157 8.524 -0.367 19771 4449 1 19 . 1 1 432 432 ASP HA H 432 4.387 4.387 4.745 -0.358 19771 4450 1 19 . 1 1 432 432 ASP CA C 432 54.365 54.365 53.452 0.913 19771 4451 1 19 . 1 1 432 432 ASP CB C 432 41.027 41.027 42.193 -1.166 19771 4452 1 19 . 1 1 433 433 SER N N 433 116.511 116.511 115.807 0.704 19771 4453 1 19 . 1 1 433 433 SER HA H 433 4.222 4.222 4.382 -0.160 19771 4454 1 19 . 1 1 433 433 SER CA C 433 57.811 57.811 59.347 -1.536 19771 4455 1 19 . 1 1 433 433 SER CB C 433 64.342 64.342 63.077 1.265 19771 4456 1 19 . 1 1 433 433 SER H H 433 7.926 7.926 8.414 -0.488 19771 4457 1 19 . 1 1 434 434 LEU N N 434 124.239 124.239 122.065 2.174 19771 4458 1 19 . 1 1 434 434 LEU HA H 434 4.301 4.301 4.213 0.088 19771 4459 1 19 . 1 1 434 434 LEU CA C 434 54.780 54.780 56.185 -1.405 19771 4460 1 19 . 1 1 434 434 LEU CB C 434 43.682 43.682 42.656 1.026 19771 4461 1 19 . 1 1 434 434 LEU H H 434 8.161 8.161 7.748 0.413 19771 4462 1 19 . 1 1 435 435 CYS N N 435 121.658 121.658 124.927 -3.269 19771 4463 1 19 . 1 1 435 435 CYS HA H 435 3.767 3.767 4.463 -0.696 19771 4464 1 19 . 1 1 435 435 CYS CA C 435 60.505 60.505 58.722 1.783 19771 4465 1 19 . 1 1 435 435 CYS CB C 435 31.833 31.833 27.875 3.958 19771 4466 1 19 . 1 1 435 435 CYS H H 435 8.341 8.341 8.192 0.149 19771 4467 1 19 . 1 1 436 436 HIS N N 436 129.654 129.654 128.761 0.893 19771 4468 1 19 . 1 1 436 436 HIS HA H 436 4.436 4.436 4.581 -0.145 19771 4469 1 19 . 1 1 436 436 HIS CA C 436 58.775 58.775 58.029 0.746 19771 4470 1 19 . 1 1 436 436 HIS CB C 436 32.431 32.431 29.844 2.587 19771 4471 1 19 . 1 1 436 436 HIS H H 436 9.087 9.087 9.087 0.000 19771 4472 1 19 . 1 1 437 437 ILE N N 437 121.647 121.647 117.274 4.373 19771 4473 1 19 . 1 1 437 437 ILE HA H 437 4.122 4.122 4.415 -0.293 19771 4474 1 19 . 1 1 437 437 ILE CA C 437 61.632 61.632 62.086 -0.454 19771 4475 1 19 . 1 1 437 437 ILE CB C 437 35.149 35.149 39.417 -4.268 19771 4476 1 19 . 1 1 437 437 ILE H H 437 9.294 9.294 7.941 1.353 19771 4477 1 19 . 1 1 438 438 CYS N N 438 118.756 118.756 118.243 0.513 19771 4478 1 19 . 1 1 438 438 CYS HA H 438 4.719 4.719 4.868 -0.149 19771 4479 1 19 . 1 1 438 438 CYS CB C 438 31.931 31.931 29.083 2.848 19771 4480 1 19 . 1 1 438 438 CYS H H 438 8.503 8.503 8.071 0.432 19771 4481 1 19 . 1 1 439 439 SER N N 439 116.341 116.341 116.323 0.018 19771 4482 1 19 . 1 1 439 439 SER HA H 439 4.348 4.348 4.059 0.289 19771 4483 1 19 . 1 1 439 439 SER CA C 439 60.131 60.131 59.594 0.537 19771 4484 1 19 . 1 1 439 439 SER CB C 439 62.642 62.642 61.373 1.269 19771 4485 1 19 . 1 1 439 439 SER H H 439 7.561 7.561 8.230 -0.669 19771 4486 1 19 . 1 1 440 440 SER N N 440 113.455 113.455 112.782 0.673 19771 4487 1 19 . 1 1 440 440 SER HA H 440 4.777 4.777 4.428 0.349 19771 4488 1 19 . 1 1 440 440 SER CA C 440 58.703 58.703 58.575 0.128 19771 4489 1 19 . 1 1 440 440 SER CB C 440 65.681 65.681 63.768 1.913 19771 4490 1 19 . 1 1 440 440 SER H H 440 8.272 8.272 8.484 -0.212 19771 4491 1 19 . 1 1 441 441 GLN N N 441 118.674 118.674 117.328 1.346 19771 4492 1 19 . 1 1 441 441 GLN HA H 441 4.865 4.865 4.745 0.120 19771 4493 1 19 . 1 1 441 441 GLN CA C 441 52.802 52.802 52.748 0.054 19771 4494 1 19 . 1 1 441 441 GLN CB C 441 30.560 30.560 29.542 1.018 19771 4495 1 19 . 1 1 441 441 GLN H H 441 7.355 7.355 7.570 -0.215 19771 4496 1 19 . 1 1 442 442 PRO HA H 442 4.349 4.349 4.287 0.062 19771 4497 1 19 . 1 1 442 442 PRO CA C 442 63.693 63.693 63.220 0.473 19771 4498 1 19 . 1 1 442 442 PRO CB C 442 32.549 32.549 31.567 0.982 19771 4499 1 19 . 1 1 443 443 GLY N N 443 110.126 110.126 108.944 1.182 19771 4500 1 19 . 1 1 443 443 GLY CA C 443 46.097 46.097 44.458 1.639 19771 4501 1 19 . 1 1 443 443 GLY H H 443 8.819 8.819 7.684 1.135 19771 4502 1 19 . 1 1 444 444 PRO HA H 444 4.387 4.387 4.220 0.167 19771 4503 1 19 . 1 1 444 444 PRO CA C 444 63.025 63.025 63.897 -0.872 19771 4504 1 19 . 1 1 444 444 PRO CB C 444 32.737 32.737 31.877 0.860 19771 4505 1 19 . 1 1 445 445 PHE N N 445 116.262 116.262 117.629 -1.367 19771 4506 1 19 . 1 1 445 445 PHE HA H 445 4.962 4.962 5.478 -0.516 19771 4507 1 19 . 1 1 445 445 PHE CA C 445 56.014 56.014 56.331 -0.317 19771 4508 1 19 . 1 1 445 445 PHE CB C 445 40.028 40.028 43.299 -3.271 19771 4509 1 19 . 1 1 445 445 PHE H H 445 8.066 8.066 7.839 0.227 19771 4510 1 19 . 1 1 446 446 PHE N N 446 126.081 126.081 120.603 5.478 19771 4511 1 19 . 1 1 446 446 PHE HA H 446 5.050 5.050 5.419 -0.369 19771 4512 1 19 . 1 1 446 446 PHE CA C 446 56.775 56.775 56.538 0.237 19771 4513 1 19 . 1 1 446 446 PHE CB C 446 41.731 41.731 43.645 -1.914 19771 4514 1 19 . 1 1 446 446 PHE H H 446 9.446 9.446 8.872 0.574 19771 4515 1 19 . 1 1 447 447 CYS N N 447 128.746 128.746 123.003 5.743 19771 4516 1 19 . 1 1 447 447 CYS HA H 447 4.874 4.874 5.091 -0.217 19771 4517 1 19 . 1 1 447 447 CYS CA C 447 58.263 58.263 56.736 1.526 19771 4518 1 19 . 1 1 447 447 CYS CB C 447 30.994 30.994 29.953 1.041 19771 4519 1 19 . 1 1 447 447 CYS H H 447 7.729 7.729 7.440 0.289 19771 4520 1 19 . 1 1 448 448 ARG N N 448 125.530 125.530 125.252 0.278 19771 4521 1 19 . 1 1 448 448 ARG HA H 448 4.080 4.080 4.540 -0.460 19771 4522 1 19 . 1 1 448 448 ARG CA C 448 55.854 55.854 56.626 -0.772 19771 4523 1 19 . 1 1 448 448 ARG CB C 448 31.200 31.200 30.686 0.514 19771 4524 1 19 . 1 1 448 448 ARG H H 448 8.783 8.783 8.900 -0.117 19771 4525 1 19 . 1 1 449 449 ASP N N 449 123.969 123.969 120.322 3.647 19771 4526 1 19 . 1 1 449 449 ASP HA H 449 4.155 4.155 4.619 -0.464 19771 4527 1 19 . 1 1 449 449 ASP CA C 449 56.118 56.118 54.075 2.043 19771 4528 1 19 . 1 1 449 449 ASP CB C 449 43.634 43.634 41.745 1.889 19771 4529 1 19 . 1 1 449 449 ASP H H 449 8.117 8.117 7.283 0.834 19771 4530 1 19 . 1 1 450 450 GLN N N 450 125.410 125.410 119.614 5.796 19771 4531 1 19 . 1 1 450 450 GLN HA H 450 3.832 3.832 4.030 -0.198 19771 4532 1 19 . 1 1 450 450 GLN CA C 450 59.127 59.127 58.487 0.640 19771 4533 1 19 . 1 1 450 450 GLN CB C 450 28.699 28.699 28.294 0.405 19771 4534 1 19 . 1 1 450 450 GLN H H 450 8.670 8.670 8.803 -0.133 19771 4535 1 19 . 1 1 451 451 VAL N N 451 113.164 113.164 112.569 0.595 19771 4536 1 19 . 1 1 451 451 VAL HA H 451 4.240 4.240 4.238 0.002 19771 4537 1 19 . 1 1 451 451 VAL CA C 451 63.199 63.199 61.213 1.986 19771 4538 1 19 . 1 1 451 451 VAL CB C 451 31.439 31.439 31.656 -0.217 19771 4539 1 19 . 1 1 451 451 VAL H H 451 8.591 8.591 7.734 0.857 19771 4540 1 19 . 1 1 452 452 CYS N N 452 120.986 120.986 118.523 2.463 19771 4541 1 19 . 1 1 452 452 CYS HA H 452 4.502 4.502 4.780 -0.278 19771 4542 1 19 . 1 1 452 452 CYS CA C 452 60.474 60.474 59.564 0.910 19771 4543 1 19 . 1 1 452 452 CYS CB C 452 31.715 31.715 28.537 3.178 19771 4544 1 19 . 1 1 452 452 CYS H H 452 7.963 7.963 7.603 0.360 19771 4545 1 19 . 1 1 453 453 PHE N N 453 129.406 129.406 119.450 9.956 19771 4546 1 19 . 1 1 453 453 PHE HA H 453 4.121 4.121 3.948 0.173 19771 4547 1 19 . 1 1 453 453 PHE CA C 453 59.700 59.700 59.440 0.260 19771 4548 1 19 . 1 1 453 453 PHE CB C 453 38.328 38.328 37.312 1.016 19771 4549 1 19 . 1 1 453 453 PHE H H 453 7.880 7.880 8.064 -0.184 19771 4550 1 19 . 1 1 454 454 LYS N N 454 113.628 113.628 115.428 -1.800 19771 4551 1 19 . 1 1 454 454 LYS HA H 454 4.423 4.423 4.352 0.071 19771 4552 1 19 . 1 1 454 454 LYS CA C 454 54.050 54.050 53.798 0.252 19771 4553 1 19 . 1 1 454 454 LYS CB C 454 37.833 37.833 36.534 1.299 19771 4554 1 19 . 1 1 454 454 LYS H H 454 6.384 6.384 7.041 -0.657 19771 4555 1 19 . 1 1 455 455 TYR N N 455 117.756 117.756 117.469 0.287 19771 4556 1 19 . 1 1 455 455 TYR HA H 455 5.111 5.111 4.991 0.120 19771 4557 1 19 . 1 1 455 455 TYR CA C 455 58.616 58.616 59.158 -0.542 19771 4558 1 19 . 1 1 455 455 TYR CB C 455 39.956 39.956 39.467 0.489 19771 4559 1 19 . 1 1 455 455 TYR H H 455 7.100 7.100 8.693 -1.593 19771 4560 1 19 . 1 1 456 456 PHE N N 456 117.529 117.529 118.293 -0.764 19771 4561 1 19 . 1 1 456 456 PHE HA H 456 6.342 6.342 4.957 1.385 19771 4562 1 19 . 1 1 456 456 PHE CA C 456 57.017 57.017 57.263 -0.246 19771 4563 1 19 . 1 1 456 456 PHE CB C 456 45.138 45.138 43.899 1.239 19771 4564 1 19 . 1 1 456 456 PHE H H 456 9.527 9.527 9.056 0.471 19771 4565 1 19 . 1 1 457 457 CYS N N 457 119.575 119.575 116.961 2.614 19771 4566 1 19 . 1 1 457 457 CYS HA H 457 5.435 5.435 5.296 0.139 19771 4567 1 19 . 1 1 457 457 CYS CA C 457 58.044 58.044 55.844 2.200 19771 4568 1 19 . 1 1 457 457 CYS CB C 457 32.277 32.277 31.333 0.944 19771 4569 1 19 . 1 1 457 457 CYS H H 457 9.710 9.710 8.676 1.034 19771 4570 1 19 . 1 1 458 458 ARG N N 458 120.479 120.479 120.085 0.394 19771 4571 1 19 . 1 1 458 458 ARG HA H 458 3.750 3.750 3.846 -0.096 19771 4572 1 19 . 1 1 458 458 ARG CA C 458 60.863 60.863 59.375 1.488 19771 4573 1 19 . 1 1 458 458 ARG CB C 458 30.407 30.407 29.677 0.730 19771 4574 1 19 . 1 1 458 458 ARG H H 458 9.300 9.300 9.009 0.291 19771 4575 1 19 . 1 1 459 459 SER N N 459 114.502 114.502 115.468 -0.966 19771 4576 1 19 . 1 1 459 459 SER HA H 459 4.424 4.424 3.945 0.479 19771 4577 1 19 . 1 1 459 459 SER CA C 459 62.116 62.116 60.928 1.188 19771 4578 1 19 . 1 1 459 459 SER CB C 459 62.828 62.828 62.927 -0.099 19771 4579 1 19 . 1 1 459 459 SER H H 459 8.482 8.482 8.252 0.230 19771 4580 1 19 . 1 1 460 460 CYS N N 460 126.957 126.957 116.719 10.238 19771 4581 1 19 . 1 1 460 460 CYS HA H 460 4.402 4.402 4.299 0.103 19771 4582 1 19 . 1 1 460 460 CYS CA C 460 65.041 65.041 58.502 6.539 19771 4583 1 19 . 1 1 460 460 CYS CB C 460 30.694 30.694 26.382 4.312 19771 4584 1 19 . 1 1 460 460 CYS H H 460 9.474 9.474 7.442 2.032 19771 4585 1 19 . 1 1 461 461 TRP N N 461 121.032 121.032 124.104 -3.072 19771 4586 1 19 . 1 1 461 461 TRP HA H 461 3.259 3.259 4.221 -0.962 19771 4587 1 19 . 1 1 461 461 TRP CA C 461 62.794 62.794 61.053 1.741 19771 4588 1 19 . 1 1 461 461 TRP CB C 461 27.672 27.672 28.872 -1.200 19771 4589 1 19 . 1 1 461 461 TRP H H 461 9.553 9.553 8.233 1.320 19771 4590 1 19 . 1 1 462 462 HIS N N 462 119.358 119.358 115.147 4.211 19771 4591 1 19 . 1 1 462 462 HIS HA H 462 4.280 4.280 4.663 -0.383 19771 4592 1 19 . 1 1 462 462 HIS CA C 462 59.828 59.828 58.427 1.401 19771 4593 1 19 . 1 1 462 462 HIS CB C 462 30.330 30.330 29.119 1.211 19771 4594 1 19 . 1 1 462 462 HIS H H 462 8.007 8.007 7.512 0.495 19771 4595 1 19 . 1 1 463 463 TRP N N 463 121.005 121.005 118.101 2.904 19771 4596 1 19 . 1 1 463 463 TRP HA H 463 4.179 4.179 4.671 -0.492 19771 4597 1 19 . 1 1 463 463 TRP CA C 463 60.915 60.915 58.114 2.801 19771 4598 1 19 . 1 1 463 463 TRP CB C 463 28.556 28.556 28.811 -0.255 19771 4599 1 19 . 1 1 463 463 TRP H H 463 8.146 8.146 7.459 0.687 19771 4600 1 19 . 1 1 464 464 ARG N N 464 117.937 117.937 116.151 1.786 19771 4601 1 19 . 1 1 464 464 ARG HA H 464 3.160 3.160 4.342 -1.182 19771 4602 1 19 . 1 1 464 464 ARG CA C 464 57.153 57.153 56.030 1.123 19771 4603 1 19 . 1 1 464 464 ARG CB C 464 29.998 29.998 31.153 -1.155 19771 4604 1 19 . 1 1 464 464 ARG H H 464 8.136 8.136 7.405 0.731 19771 4605 1 19 . 1 1 465 465 HIS N N 465 109.139 109.139 118.939 -9.800 19771 4606 1 19 . 1 1 465 465 HIS HA H 465 3.729 3.729 4.297 -0.568 19771 4607 1 19 . 1 1 465 465 HIS CA C 465 58.797 58.797 56.363 2.434 19771 4608 1 19 . 1 1 465 465 HIS CB C 465 25.377 25.377 29.134 -3.757 19771 4609 1 19 . 1 1 465 465 HIS H H 465 7.359 7.359 8.231 -0.872 19771 4610 1 19 . 1 1 466 466 SER N N 466 112.123 112.123 115.119 -2.996 19771 4611 1 19 . 1 1 466 466 SER HA H 466 4.273 4.273 4.590 -0.317 19771 4612 1 19 . 1 1 466 466 SER CA C 466 58.999 58.999 57.695 1.304 19771 4613 1 19 . 1 1 466 466 SER CB C 466 63.431 63.431 63.114 0.317 19771 4614 1 19 . 1 1 466 466 SER H H 466 6.897 6.897 8.277 -1.380 19771 4615 1 19 . 1 1 467 467 MET N N 467 121.282 121.282 118.180 3.102 19771 4616 1 19 . 1 1 467 467 MET HA H 467 4.133 4.133 4.919 -0.786 19771 4617 1 19 . 1 1 467 467 MET CA C 467 55.435 55.435 54.387 1.048 19771 4618 1 19 . 1 1 467 467 MET CB C 467 33.206 33.206 35.159 -1.953 19771 4619 1 19 . 1 1 467 467 MET H H 467 6.766 6.766 7.357 -0.591 19771 4620 1 19 . 1 1 468 468 GLU N N 468 122.864 122.864 121.570 1.294 19771 4621 1 19 . 1 1 468 468 GLU HA H 468 3.754 3.754 4.078 -0.324 19771 4622 1 19 . 1 1 468 468 GLU CA C 468 58.708 58.708 58.517 0.191 19771 4623 1 19 . 1 1 468 468 GLU CB C 468 29.457 29.457 29.412 0.045 19771 4624 1 19 . 1 1 468 468 GLU H H 468 8.455 8.455 8.974 -0.519 19771 4625 1 19 . 1 1 469 469 GLY N N 469 112.643 112.643 104.822 7.821 19771 4626 1 19 . 1 1 469 469 GLY CA C 469 45.398 45.398 45.419 -0.021 19771 4627 1 19 . 1 1 469 469 GLY H H 469 8.893 8.893 8.092 0.801 19771 4628 1 19 . 1 1 470 470 LEU N N 470 118.167 118.167 117.403 0.764 19771 4629 1 19 . 1 1 470 470 LEU HA H 470 3.862 3.862 3.804 0.058 19771 4630 1 19 . 1 1 470 470 LEU CA C 470 54.284 54.284 54.164 0.120 19771 4631 1 19 . 1 1 470 470 LEU CB C 470 42.923 42.923 42.700 0.223 19771 4632 1 19 . 1 1 470 470 LEU H H 470 7.642 7.642 7.894 -0.252 19771 4633 1 19 . 1 1 471 471 ARG N N 471 115.958 115.958 119.169 -3.211 19771 4634 1 19 . 1 1 471 471 ARG HA H 471 4.328 4.328 4.200 0.128 19771 4635 1 19 . 1 1 471 471 ARG CA C 471 58.357 58.357 57.601 0.756 19771 4636 1 19 . 1 1 471 471 ARG CB C 471 30.183 30.183 29.824 0.359 19771 4637 1 19 . 1 1 471 471 ARG H H 471 7.256 7.256 7.546 -0.290 19771 4638 1 19 . 1 1 472 472 HIS N N 472 113.710 113.710 112.239 1.471 19771 4639 1 19 . 1 1 472 472 HIS HA H 472 4.635 4.635 4.854 -0.219 19771 4640 1 19 . 1 1 472 472 HIS CA C 472 56.199 56.199 55.183 1.016 19771 4641 1 19 . 1 1 472 472 HIS CB C 472 30.157 30.157 29.128 1.029 19771 4642 1 19 . 1 1 472 472 HIS H H 472 8.410 8.410 7.697 0.713 19771 4643 1 19 . 1 1 473 473 HIS N N 473 122.456 122.456 121.327 1.129 19771 4644 1 19 . 1 1 473 473 HIS HA H 473 4.418 4.418 4.778 -0.360 19771 4645 1 19 . 1 1 473 473 HIS CA C 473 55.485 55.485 56.220 -0.735 19771 4646 1 19 . 1 1 473 473 HIS CB C 473 31.291 31.291 30.908 0.383 19771 4647 1 19 . 1 1 473 473 HIS H H 473 6.899 6.899 7.288 -0.389 19771 4648 1 19 . 1 1 474 474 SER N N 474 117.590 117.590 117.437 0.153 19771 4649 1 19 . 1 1 474 474 SER HA H 474 5.065 5.065 5.067 -0.002 19771 4650 1 19 . 1 1 474 474 SER CA C 474 55.164 55.164 55.578 -0.414 19771 4651 1 19 . 1 1 474 474 SER CB C 474 64.749 64.749 64.633 0.116 19771 4652 1 19 . 1 1 474 474 SER H H 474 8.600 8.600 8.705 -0.105 19771 4653 1 19 . 1 1 475 475 PRO HA H 475 4.258 4.258 4.427 -0.169 19771 4654 1 19 . 1 1 475 475 PRO CA C 475 62.975 62.975 62.702 0.273 19771 4655 1 19 . 1 1 475 475 PRO CB C 475 31.696 31.696 32.137 -0.441 19771 4656 1 19 . 1 1 476 476 LEU N N 476 123.672 123.672 121.286 2.386 19771 4657 1 19 . 1 1 476 476 LEU CB C 476 44.146 44.146 46.362 -2.216 19771 4658 1 19 . 1 1 476 476 LEU H H 476 8.843 8.843 8.060 0.783 19771 4659 1 19 . 1 1 477 477 MET N N 477 122.428 122.428 120.548 1.880 19771 4660 1 19 . 1 1 477 477 MET HA H 477 4.918 4.918 5.217 -0.299 19771 4661 1 19 . 1 1 477 477 MET CA C 477 54.604 54.604 55.005 -0.401 19771 4662 1 19 . 1 1 477 477 MET CB C 477 34.225 34.225 35.623 -1.398 19771 4663 1 19 . 1 1 477 477 MET H H 477 8.564 8.564 8.535 0.029 19771 4664 1 19 . 1 1 478 478 ARG N N 478 123.419 123.419 122.200 1.219 19771 4665 1 19 . 1 1 478 478 ARG CB C 478 32.024 32.024 30.726 1.298 19771 4666 1 19 . 1 1 478 478 ARG H H 478 8.825 8.825 8.690 0.135 19771 4667 1 19 . 1 1 481 481 LYS N N 481 122.000 122.000 121.581 0.419 19771 4668 1 19 . 1 1 481 481 LYS H H 481 8.284 8.284 8.539 -0.255 19771 4669 1 19 . 1 1 482 482 ASN N N 482 119.466 119.466 117.546 1.920 19771 4670 1 19 . 1 1 482 482 ASN H H 482 8.379 8.379 8.094 0.285 19771 4671 1 19 . 1 1 483 483 ARG N N 483 121.400 121.400 118.575 2.825 19771 4672 1 19 . 1 1 483 483 ARG H H 483 8.302 8.302 7.519 0.783 19771 4673 1 19 . 1 1 485 485 SER N N 485 115.800 115.800 113.230 2.570 19771 4674 1 19 . 1 1 485 485 SER H H 485 8.112 8.112 7.690 0.422 19771 4675 1 20 . 1 1 427 427 ASP N N 427 125.779 125.779 122.049 3.730 19771 4676 1 20 . 1 1 427 427 ASP HA H 427 4.829 4.829 4.866 -0.037 19771 4677 1 20 . 1 1 427 427 ASP CA C 427 52.150 52.150 53.040 -0.890 19771 4678 1 20 . 1 1 427 427 ASP CB C 427 41.537 41.537 41.976 -0.439 19771 4679 1 20 . 1 1 427 427 ASP H H 427 8.293 8.293 8.359 -0.066 19771 4680 1 20 . 1 1 428 428 PRO HA H 428 4.229 4.229 4.412 -0.183 19771 4681 1 20 . 1 1 428 428 PRO CA C 428 63.337 63.337 62.678 0.659 19771 4682 1 20 . 1 1 428 428 PRO CB C 428 32.019 32.019 32.280 -0.261 19771 4683 1 20 . 1 1 429 429 TYR N N 429 119.152 119.152 119.887 -0.735 19771 4684 1 20 . 1 1 429 429 TYR HA H 429 4.421 4.421 4.390 0.031 19771 4685 1 20 . 1 1 429 429 TYR CA C 429 57.961 57.961 58.374 -0.413 19771 4686 1 20 . 1 1 429 429 TYR CB C 429 37.968 37.968 39.114 -1.146 19771 4687 1 20 . 1 1 429 429 TYR H H 429 8.136 8.136 8.429 -0.293 19771 4688 1 20 . 1 1 430 430 LEU N N 430 122.733 122.733 121.299 1.434 19771 4689 1 20 . 1 1 430 430 LEU HA H 430 4.205 4.205 4.650 -0.445 19771 4690 1 20 . 1 1 430 430 LEU CA C 430 54.950 54.950 54.413 0.537 19771 4691 1 20 . 1 1 430 430 LEU CB C 430 42.474 42.474 44.495 -2.021 19771 4692 1 20 . 1 1 430 430 LEU H H 430 7.596 7.596 8.268 -0.672 19771 4693 1 20 . 1 1 431 431 GLU N N 431 120.614 120.614 124.683 -4.069 19771 4694 1 20 . 1 1 431 431 GLU H H 431 8.157 8.157 8.476 -0.319 19771 4695 1 20 . 1 1 432 432 ASP HA H 432 4.387 4.387 4.543 -0.156 19771 4696 1 20 . 1 1 432 432 ASP CA C 432 54.365 54.365 55.902 -1.537 19771 4697 1 20 . 1 1 432 432 ASP CB C 432 41.027 41.027 40.985 0.042 19771 4698 1 20 . 1 1 433 433 SER N N 433 116.511 116.511 113.963 2.548 19771 4699 1 20 . 1 1 433 433 SER HA H 433 4.222 4.222 4.334 -0.112 19771 4700 1 20 . 1 1 433 433 SER CA C 433 57.811 57.811 56.797 1.014 19771 4701 1 20 . 1 1 433 433 SER CB C 433 64.342 64.342 63.065 1.277 19771 4702 1 20 . 1 1 433 433 SER H H 433 7.926 7.926 7.780 0.146 19771 4703 1 20 . 1 1 434 434 LEU N N 434 124.239 124.239 123.662 0.577 19771 4704 1 20 . 1 1 434 434 LEU HA H 434 4.301 4.301 4.011 0.290 19771 4705 1 20 . 1 1 434 434 LEU CA C 434 54.780 54.780 56.331 -1.551 19771 4706 1 20 . 1 1 434 434 LEU CB C 434 43.682 43.682 42.905 0.777 19771 4707 1 20 . 1 1 434 434 LEU H H 434 8.161 8.161 7.306 0.855 19771 4708 1 20 . 1 1 435 435 CYS N N 435 121.658 121.658 124.728 -3.070 19771 4709 1 20 . 1 1 435 435 CYS HA H 435 3.767 3.767 4.252 -0.485 19771 4710 1 20 . 1 1 435 435 CYS CA C 435 60.505 60.505 60.054 0.451 19771 4711 1 20 . 1 1 435 435 CYS CB C 435 31.833 31.833 28.186 3.647 19771 4712 1 20 . 1 1 435 435 CYS H H 435 8.341 8.341 8.215 0.126 19771 4713 1 20 . 1 1 436 436 HIS N N 436 129.654 129.654 126.791 2.863 19771 4714 1 20 . 1 1 436 436 HIS HA H 436 4.436 4.436 4.661 -0.225 19771 4715 1 20 . 1 1 436 436 HIS CA C 436 58.775 58.775 57.995 0.781 19771 4716 1 20 . 1 1 436 436 HIS CB C 436 32.431 32.431 30.642 1.789 19771 4717 1 20 . 1 1 436 436 HIS H H 436 9.087 9.087 8.640 0.447 19771 4718 1 20 . 1 1 437 437 ILE N N 437 121.647 121.647 117.815 3.832 19771 4719 1 20 . 1 1 437 437 ILE HA H 437 4.122 4.122 4.307 -0.185 19771 4720 1 20 . 1 1 437 437 ILE CA C 437 61.632 61.632 61.384 0.248 19771 4721 1 20 . 1 1 437 437 ILE CB C 437 35.149 35.149 39.563 -4.414 19771 4722 1 20 . 1 1 437 437 ILE H H 437 9.294 9.294 7.971 1.323 19771 4723 1 20 . 1 1 438 438 CYS N N 438 118.756 118.756 113.382 5.374 19771 4724 1 20 . 1 1 438 438 CYS HA H 438 4.719 4.719 4.839 -0.120 19771 4725 1 20 . 1 1 438 438 CYS CB C 438 31.931 31.931 29.722 2.209 19771 4726 1 20 . 1 1 438 438 CYS H H 438 8.503 8.503 7.856 0.647 19771 4727 1 20 . 1 1 439 439 SER N N 439 116.341 116.341 115.591 0.750 19771 4728 1 20 . 1 1 439 439 SER HA H 439 4.348 4.348 4.266 0.082 19771 4729 1 20 . 1 1 439 439 SER CA C 439 60.131 60.131 59.566 0.565 19771 4730 1 20 . 1 1 439 439 SER CB C 439 62.642 62.642 61.073 1.569 19771 4731 1 20 . 1 1 439 439 SER H H 439 7.561 7.561 8.689 -1.128 19771 4732 1 20 . 1 1 440 440 SER N N 440 113.455 113.455 114.207 -0.752 19771 4733 1 20 . 1 1 440 440 SER HA H 440 4.777 4.777 4.635 0.142 19771 4734 1 20 . 1 1 440 440 SER CA C 440 58.703 58.703 60.258 -1.555 19771 4735 1 20 . 1 1 440 440 SER CB C 440 65.681 65.681 64.080 1.601 19771 4736 1 20 . 1 1 440 440 SER H H 440 8.272 8.272 8.152 0.120 19771 4737 1 20 . 1 1 441 441 GLN N N 441 118.674 118.674 118.382 0.292 19771 4738 1 20 . 1 1 441 441 GLN HA H 441 4.865 4.865 4.563 0.302 19771 4739 1 20 . 1 1 441 441 GLN CA C 441 52.802 52.802 53.088 -0.286 19771 4740 1 20 . 1 1 441 441 GLN CB C 441 30.560 30.560 29.251 1.309 19771 4741 1 20 . 1 1 441 441 GLN H H 441 7.355 7.355 7.422 -0.067 19771 4742 1 20 . 1 1 442 442 PRO HA H 442 4.349 4.349 4.242 0.107 19771 4743 1 20 . 1 1 442 442 PRO CA C 442 63.693 63.693 63.541 0.152 19771 4744 1 20 . 1 1 442 442 PRO CB C 442 32.549 32.549 31.277 1.272 19771 4745 1 20 . 1 1 443 443 GLY N N 443 110.126 110.126 106.569 3.557 19771 4746 1 20 . 1 1 443 443 GLY CA C 443 46.097 46.097 44.790 1.307 19771 4747 1 20 . 1 1 443 443 GLY H H 443 8.819 8.819 7.971 0.848 19771 4748 1 20 . 1 1 444 444 PRO HA H 444 4.387 4.387 4.133 0.254 19771 4749 1 20 . 1 1 444 444 PRO CA C 444 63.025 63.025 64.067 -1.042 19771 4750 1 20 . 1 1 444 444 PRO CB C 444 32.737 32.737 31.936 0.801 19771 4751 1 20 . 1 1 445 445 PHE N N 445 116.262 116.262 115.645 0.617 19771 4752 1 20 . 1 1 445 445 PHE HA H 445 4.962 4.962 5.236 -0.274 19771 4753 1 20 . 1 1 445 445 PHE CA C 445 56.014 56.014 56.506 -0.492 19771 4754 1 20 . 1 1 445 445 PHE CB C 445 40.028 40.028 43.059 -3.031 19771 4755 1 20 . 1 1 445 445 PHE H H 445 8.066 8.066 7.937 0.129 19771 4756 1 20 . 1 1 446 446 PHE N N 446 126.081 126.081 121.621 4.460 19771 4757 1 20 . 1 1 446 446 PHE HA H 446 5.050 5.050 5.353 -0.303 19771 4758 1 20 . 1 1 446 446 PHE CA C 446 56.775 56.775 55.995 0.780 19771 4759 1 20 . 1 1 446 446 PHE CB C 446 41.731 41.731 43.291 -1.560 19771 4760 1 20 . 1 1 446 446 PHE H H 446 9.446 9.446 9.254 0.192 19771 4761 1 20 . 1 1 447 447 CYS N N 447 128.746 128.746 124.495 4.251 19771 4762 1 20 . 1 1 447 447 CYS HA H 447 4.874 4.874 5.042 -0.168 19771 4763 1 20 . 1 1 447 447 CYS CA C 447 58.263 58.263 56.870 1.393 19771 4764 1 20 . 1 1 447 447 CYS CB C 447 30.994 30.994 30.265 0.729 19771 4765 1 20 . 1 1 447 447 CYS H H 447 7.729 7.729 7.493 0.236 19771 4766 1 20 . 1 1 448 448 ARG N N 448 125.530 125.530 124.283 1.247 19771 4767 1 20 . 1 1 448 448 ARG HA H 448 4.080 4.080 4.374 -0.294 19771 4768 1 20 . 1 1 448 448 ARG CA C 448 55.854 55.854 57.068 -1.214 19771 4769 1 20 . 1 1 448 448 ARG CB C 448 31.200 31.200 30.825 0.375 19771 4770 1 20 . 1 1 448 448 ARG H H 448 8.783 8.783 8.721 0.062 19771 4771 1 20 . 1 1 449 449 ASP N N 449 123.969 123.969 120.075 3.894 19771 4772 1 20 . 1 1 449 449 ASP HA H 449 4.155 4.155 4.692 -0.537 19771 4773 1 20 . 1 1 449 449 ASP CA C 449 56.118 56.118 53.891 2.227 19771 4774 1 20 . 1 1 449 449 ASP CB C 449 43.634 43.634 42.094 1.540 19771 4775 1 20 . 1 1 449 449 ASP H H 449 8.117 8.117 7.415 0.702 19771 4776 1 20 . 1 1 450 450 GLN N N 450 125.410 125.410 119.500 5.910 19771 4777 1 20 . 1 1 450 450 GLN HA H 450 3.832 3.832 4.034 -0.202 19771 4778 1 20 . 1 1 450 450 GLN CA C 450 59.127 59.127 58.521 0.606 19771 4779 1 20 . 1 1 450 450 GLN CB C 450 28.699 28.699 28.220 0.479 19771 4780 1 20 . 1 1 450 450 GLN H H 450 8.670 8.670 8.823 -0.153 19771 4781 1 20 . 1 1 451 451 VAL N N 451 113.164 113.164 112.930 0.234 19771 4782 1 20 . 1 1 451 451 VAL HA H 451 4.240 4.240 4.225 0.015 19771 4783 1 20 . 1 1 451 451 VAL CA C 451 63.199 63.199 61.664 1.535 19771 4784 1 20 . 1 1 451 451 VAL CB C 451 31.439 31.439 31.663 -0.224 19771 4785 1 20 . 1 1 451 451 VAL H H 451 8.591 8.591 7.765 0.826 19771 4786 1 20 . 1 1 452 452 CYS N N 452 120.986 120.986 118.575 2.411 19771 4787 1 20 . 1 1 452 452 CYS HA H 452 4.502 4.502 4.835 -0.333 19771 4788 1 20 . 1 1 452 452 CYS CA C 452 60.474 60.474 59.960 0.514 19771 4789 1 20 . 1 1 452 452 CYS CB C 452 31.715 31.715 28.921 2.794 19771 4790 1 20 . 1 1 452 452 CYS H H 452 7.963 7.963 7.484 0.479 19771 4791 1 20 . 1 1 453 453 PHE N N 453 129.406 129.406 119.759 9.647 19771 4792 1 20 . 1 1 453 453 PHE HA H 453 4.121 4.121 3.886 0.235 19771 4793 1 20 . 1 1 453 453 PHE CA C 453 59.700 59.700 59.348 0.352 19771 4794 1 20 . 1 1 453 453 PHE CB C 453 38.328 38.328 37.669 0.659 19771 4795 1 20 . 1 1 453 453 PHE H H 453 7.880 7.880 8.250 -0.370 19771 4796 1 20 . 1 1 454 454 LYS N N 454 113.628 113.628 115.324 -1.696 19771 4797 1 20 . 1 1 454 454 LYS HA H 454 4.423 4.423 4.340 0.083 19771 4798 1 20 . 1 1 454 454 LYS CA C 454 54.050 54.050 53.827 0.223 19771 4799 1 20 . 1 1 454 454 LYS CB C 454 37.833 37.833 36.734 1.099 19771 4800 1 20 . 1 1 454 454 LYS H H 454 6.384 6.384 7.208 -0.824 19771 4801 1 20 . 1 1 455 455 TYR N N 455 117.756 117.756 117.097 0.659 19771 4802 1 20 . 1 1 455 455 TYR HA H 455 5.111 5.111 5.154 -0.043 19771 4803 1 20 . 1 1 455 455 TYR CA C 455 58.616 58.616 58.641 -0.025 19771 4804 1 20 . 1 1 455 455 TYR CB C 455 39.956 39.956 40.016 -0.060 19771 4805 1 20 . 1 1 455 455 TYR H H 455 7.100 7.100 8.490 -1.390 19771 4806 1 20 . 1 1 456 456 PHE N N 456 117.529 117.529 116.909 0.620 19771 4807 1 20 . 1 1 456 456 PHE HA H 456 6.342 6.342 5.077 1.265 19771 4808 1 20 . 1 1 456 456 PHE CA C 456 57.017 57.017 56.811 0.206 19771 4809 1 20 . 1 1 456 456 PHE CB C 456 45.138 45.138 44.123 1.015 19771 4810 1 20 . 1 1 456 456 PHE H H 456 9.527 9.527 9.182 0.345 19771 4811 1 20 . 1 1 457 457 CYS N N 457 119.575 119.575 117.038 2.537 19771 4812 1 20 . 1 1 457 457 CYS HA H 457 5.435 5.435 5.267 0.168 19771 4813 1 20 . 1 1 457 457 CYS CA C 457 58.044 58.044 56.814 1.230 19771 4814 1 20 . 1 1 457 457 CYS CB C 457 32.277 32.277 31.102 1.175 19771 4815 1 20 . 1 1 457 457 CYS H H 457 9.710 9.710 8.873 0.837 19771 4816 1 20 . 1 1 458 458 ARG N N 458 120.479 120.479 121.460 -0.981 19771 4817 1 20 . 1 1 458 458 ARG HA H 458 3.750 3.750 3.874 -0.124 19771 4818 1 20 . 1 1 458 458 ARG CA C 458 60.863 60.863 58.954 1.909 19771 4819 1 20 . 1 1 458 458 ARG CB C 458 30.407 30.407 29.649 0.758 19771 4820 1 20 . 1 1 458 458 ARG H H 458 9.300 9.300 8.936 0.364 19771 4821 1 20 . 1 1 459 459 SER N N 459 114.502 114.502 113.451 1.051 19771 4822 1 20 . 1 1 459 459 SER HA H 459 4.424 4.424 4.109 0.315 19771 4823 1 20 . 1 1 459 459 SER CA C 459 62.116 62.116 60.993 1.123 19771 4824 1 20 . 1 1 459 459 SER CB C 459 62.828 62.828 62.835 -0.007 19771 4825 1 20 . 1 1 459 459 SER H H 459 8.482 8.482 8.160 0.322 19771 4826 1 20 . 1 1 460 460 CYS N N 460 126.957 126.957 117.736 9.221 19771 4827 1 20 . 1 1 460 460 CYS HA H 460 4.402 4.402 3.962 0.440 19771 4828 1 20 . 1 1 460 460 CYS CA C 460 65.041 65.041 57.926 7.115 19771 4829 1 20 . 1 1 460 460 CYS CB C 460 30.694 30.694 26.250 4.444 19771 4830 1 20 . 1 1 460 460 CYS H H 460 9.474 9.474 7.425 2.049 19771 4831 1 20 . 1 1 461 461 TRP N N 461 121.032 121.032 123.700 -2.668 19771 4832 1 20 . 1 1 461 461 TRP HA H 461 3.259 3.259 4.059 -0.800 19771 4833 1 20 . 1 1 461 461 TRP CA C 461 62.794 62.794 60.760 2.034 19771 4834 1 20 . 1 1 461 461 TRP CB C 461 27.672 27.672 28.848 -1.176 19771 4835 1 20 . 1 1 461 461 TRP H H 461 9.553 9.553 8.213 1.340 19771 4836 1 20 . 1 1 462 462 HIS N N 462 119.358 119.358 115.556 3.802 19771 4837 1 20 . 1 1 462 462 HIS HA H 462 4.280 4.280 4.467 -0.187 19771 4838 1 20 . 1 1 462 462 HIS CA C 462 59.828 59.828 59.165 0.663 19771 4839 1 20 . 1 1 462 462 HIS CB C 462 30.330 30.330 29.300 1.030 19771 4840 1 20 . 1 1 462 462 HIS H H 462 8.007 8.007 7.404 0.603 19771 4841 1 20 . 1 1 463 463 TRP N N 463 121.005 121.005 117.337 3.668 19771 4842 1 20 . 1 1 463 463 TRP HA H 463 4.179 4.179 4.642 -0.463 19771 4843 1 20 . 1 1 463 463 TRP CA C 463 60.915 60.915 57.897 3.018 19771 4844 1 20 . 1 1 463 463 TRP CB C 463 28.556 28.556 28.461 0.095 19771 4845 1 20 . 1 1 463 463 TRP H H 463 8.146 8.146 7.447 0.699 19771 4846 1 20 . 1 1 464 464 ARG N N 464 117.937 117.937 114.851 3.086 19771 4847 1 20 . 1 1 464 464 ARG HA H 464 3.160 3.160 4.234 -1.074 19771 4848 1 20 . 1 1 464 464 ARG CA C 464 57.153 57.153 55.342 1.811 19771 4849 1 20 . 1 1 464 464 ARG CB C 464 29.998 29.998 30.233 -0.235 19771 4850 1 20 . 1 1 464 464 ARG H H 464 8.136 8.136 7.206 0.930 19771 4851 1 20 . 1 1 465 465 HIS N N 465 109.139 109.139 115.811 -6.672 19771 4852 1 20 . 1 1 465 465 HIS HA H 465 3.729 3.729 4.567 -0.838 19771 4853 1 20 . 1 1 465 465 HIS CA C 465 58.797 58.797 55.325 3.472 19771 4854 1 20 . 1 1 465 465 HIS CB C 465 25.377 25.377 30.519 -5.142 19771 4855 1 20 . 1 1 465 465 HIS H H 465 7.359 7.359 7.486 -0.127 19771 4856 1 20 . 1 1 466 466 SER N N 466 112.123 112.123 115.259 -3.136 19771 4857 1 20 . 1 1 466 466 SER HA H 466 4.273 4.273 4.247 0.026 19771 4858 1 20 . 1 1 466 466 SER CA C 466 58.999 58.999 59.662 -0.663 19771 4859 1 20 . 1 1 466 466 SER CB C 466 63.431 63.431 63.706 -0.275 19771 4860 1 20 . 1 1 466 466 SER H H 466 6.897 6.897 7.803 -0.906 19771 4861 1 20 . 1 1 467 467 MET N N 467 121.282 121.282 118.878 2.404 19771 4862 1 20 . 1 1 467 467 MET HA H 467 4.133 4.133 4.684 -0.551 19771 4863 1 20 . 1 1 467 467 MET CA C 467 55.435 55.435 56.017 -0.582 19771 4864 1 20 . 1 1 467 467 MET CB C 467 33.206 33.206 34.129 -0.923 19771 4865 1 20 . 1 1 467 467 MET H H 467 6.766 6.766 7.373 -0.607 19771 4866 1 20 . 1 1 468 468 GLU N N 468 122.864 122.864 122.009 0.855 19771 4867 1 20 . 1 1 468 468 GLU HA H 468 3.754 3.754 4.192 -0.438 19771 4868 1 20 . 1 1 468 468 GLU CA C 468 58.708 58.708 58.096 0.612 19771 4869 1 20 . 1 1 468 468 GLU CB C 468 29.457 29.457 28.099 1.358 19771 4870 1 20 . 1 1 468 468 GLU H H 468 8.455 8.455 8.812 -0.357 19771 4871 1 20 . 1 1 469 469 GLY N N 469 112.643 112.643 107.071 5.572 19771 4872 1 20 . 1 1 469 469 GLY CA C 469 45.398 45.398 45.657 -0.259 19771 4873 1 20 . 1 1 469 469 GLY H H 469 8.893 8.893 8.161 0.732 19771 4874 1 20 . 1 1 470 470 LEU N N 470 118.167 118.167 118.816 -0.649 19771 4875 1 20 . 1 1 470 470 LEU HA H 470 3.862 3.862 4.436 -0.574 19771 4876 1 20 . 1 1 470 470 LEU CA C 470 54.284 54.284 53.154 1.130 19771 4877 1 20 . 1 1 470 470 LEU CB C 470 42.923 42.923 41.387 1.536 19771 4878 1 20 . 1 1 470 470 LEU H H 470 7.642 7.642 7.211 0.431 19771 4879 1 20 . 1 1 471 471 ARG N N 471 115.958 115.958 118.706 -2.748 19771 4880 1 20 . 1 1 471 471 ARG HA H 471 4.328 4.328 4.051 0.277 19771 4881 1 20 . 1 1 471 471 ARG CA C 471 58.357 58.357 57.914 0.442 19771 4882 1 20 . 1 1 471 471 ARG CB C 471 30.183 30.183 29.912 0.271 19771 4883 1 20 . 1 1 471 471 ARG H H 471 7.256 7.256 7.778 -0.522 19771 4884 1 20 . 1 1 472 472 HIS N N 472 113.710 113.710 112.897 0.813 19771 4885 1 20 . 1 1 472 472 HIS HA H 472 4.635 4.635 4.668 -0.033 19771 4886 1 20 . 1 1 472 472 HIS CA C 472 56.199 56.199 55.313 0.886 19771 4887 1 20 . 1 1 472 472 HIS CB C 472 30.157 30.157 29.288 0.869 19771 4888 1 20 . 1 1 472 472 HIS H H 472 8.410 8.410 8.122 0.288 19771 4889 1 20 . 1 1 473 473 HIS N N 473 122.456 122.456 119.776 2.680 19771 4890 1 20 . 1 1 473 473 HIS HA H 473 4.418 4.418 4.423 -0.005 19771 4891 1 20 . 1 1 473 473 HIS CA C 473 55.485 55.485 55.886 -0.401 19771 4892 1 20 . 1 1 473 473 HIS CB C 473 31.291 31.291 30.329 0.962 19771 4893 1 20 . 1 1 473 473 HIS H H 473 6.899 6.899 7.210 -0.311 19771 4894 1 20 . 1 1 474 474 SER N N 474 117.590 117.590 115.332 2.258 19771 4895 1 20 . 1 1 474 474 SER HA H 474 5.065 5.065 4.854 0.211 19771 4896 1 20 . 1 1 474 474 SER CA C 474 55.164 55.164 55.117 0.047 19771 4897 1 20 . 1 1 474 474 SER CB C 474 64.749 64.749 65.356 -0.607 19771 4898 1 20 . 1 1 474 474 SER H H 474 8.600 8.600 8.205 0.395 19771 4899 1 20 . 1 1 475 475 PRO HA H 475 4.258 4.258 4.095 0.163 19771 4900 1 20 . 1 1 475 475 PRO CA C 475 62.975 62.975 62.485 0.490 19771 4901 1 20 . 1 1 475 475 PRO CB C 475 31.696 31.696 31.447 0.249 19771 4902 1 20 . 1 1 476 476 LEU N N 476 123.672 123.672 128.330 -4.658 19771 4903 1 20 . 1 1 476 476 LEU CB C 476 44.146 44.146 42.964 1.182 19771 4904 1 20 . 1 1 476 476 LEU H H 476 8.843 8.843 8.780 0.063 19771 4905 1 20 . 1 1 477 477 MET N N 477 122.428 122.428 116.701 5.727 19771 4906 1 20 . 1 1 477 477 MET HA H 477 4.918 4.918 4.146 0.772 19771 4907 1 20 . 1 1 477 477 MET CA C 477 54.604 54.604 56.809 -2.205 19771 4908 1 20 . 1 1 477 477 MET CB C 477 34.225 34.225 33.440 0.785 19771 4909 1 20 . 1 1 477 477 MET H H 477 8.564 8.564 8.702 -0.138 19771 4910 1 20 . 1 1 478 478 ARG N N 478 123.419 123.419 122.550 0.869 19771 4911 1 20 . 1 1 478 478 ARG CB C 478 32.024 32.024 33.034 -1.010 19771 4912 1 20 . 1 1 478 478 ARG H H 478 8.825 8.825 8.396 0.429 19771 4913 1 20 . 1 1 481 481 LYS N N 481 122.000 122.000 120.101 1.899 19771 4914 1 20 . 1 1 481 481 LYS H H 481 8.284 8.284 8.429 -0.145 19771 4915 1 20 . 1 1 482 482 ASN N N 482 119.466 119.466 118.022 1.444 19771 4916 1 20 . 1 1 482 482 ASN H H 482 8.379 8.379 8.305 0.074 19771 4917 1 20 . 1 1 483 483 ARG N N 483 121.400 121.400 121.266 0.134 19771 4918 1 20 . 1 1 483 483 ARG H H 483 8.302 8.302 8.746 -0.444 19771 4919 1 20 . 1 1 485 485 SER N N 485 115.800 115.800 116.905 -1.105 19771 4920 1 20 . 1 1 485 485 SER H H 485 8.112 8.112 8.488 -0.376 19771 4921 1 21 . 1 1 427 427 ASP N N 427 125.779 125.779 124.989 0.790 19771 4922 1 21 . 1 1 427 427 ASP HA H 427 4.829 4.829 5.239 -0.410 19771 4923 1 21 . 1 1 427 427 ASP CA C 427 52.150 52.150 52.989 -0.839 19771 4924 1 21 . 1 1 427 427 ASP CB C 427 41.537 41.537 43.574 -2.037 19771 4925 1 21 . 1 1 427 427 ASP H H 427 8.293 8.293 8.640 -0.347 19771 4926 1 21 . 1 1 428 428 PRO HA H 428 4.229 4.229 4.549 -0.320 19771 4927 1 21 . 1 1 428 428 PRO CA C 428 63.337 63.337 62.592 0.745 19771 4928 1 21 . 1 1 428 428 PRO CB C 428 32.019 32.019 32.628 -0.609 19771 4929 1 21 . 1 1 429 429 TYR N N 429 119.152 119.152 116.018 3.134 19771 4930 1 21 . 1 1 429 429 TYR HA H 429 4.421 4.421 4.734 -0.313 19771 4931 1 21 . 1 1 429 429 TYR CA C 429 57.961 57.961 57.792 0.169 19771 4932 1 21 . 1 1 429 429 TYR CB C 429 37.968 37.968 38.767 -0.799 19771 4933 1 21 . 1 1 429 429 TYR H H 429 8.136 8.136 8.135 0.001 19771 4934 1 21 . 1 1 430 430 LEU N N 430 122.733 122.733 121.226 1.507 19771 4935 1 21 . 1 1 430 430 LEU HA H 430 4.205 4.205 4.664 -0.459 19771 4936 1 21 . 1 1 430 430 LEU CA C 430 54.950 54.950 53.743 1.207 19771 4937 1 21 . 1 1 430 430 LEU CB C 430 42.474 42.474 45.414 -2.940 19771 4938 1 21 . 1 1 430 430 LEU H H 430 7.596 7.596 7.285 0.311 19771 4939 1 21 . 1 1 431 431 GLU N N 431 120.614 120.614 119.262 1.352 19771 4940 1 21 . 1 1 431 431 GLU H H 431 8.157 8.157 8.650 -0.493 19771 4941 1 21 . 1 1 432 432 ASP HA H 432 4.387 4.387 4.575 -0.188 19771 4942 1 21 . 1 1 432 432 ASP CA C 432 54.365 54.365 55.171 -0.806 19771 4943 1 21 . 1 1 432 432 ASP CB C 432 41.027 41.027 40.816 0.211 19771 4944 1 21 . 1 1 433 433 SER N N 433 116.511 116.511 112.118 4.393 19771 4945 1 21 . 1 1 433 433 SER HA H 433 4.222 4.222 4.140 0.082 19771 4946 1 21 . 1 1 433 433 SER CA C 433 57.811 57.811 58.238 -0.427 19771 4947 1 21 . 1 1 433 433 SER CB C 433 64.342 64.342 62.839 1.504 19771 4948 1 21 . 1 1 433 433 SER H H 433 7.926 7.926 7.838 0.088 19771 4949 1 21 . 1 1 434 434 LEU N N 434 124.239 124.239 122.217 2.022 19771 4950 1 21 . 1 1 434 434 LEU HA H 434 4.301 4.301 4.272 0.029 19771 4951 1 21 . 1 1 434 434 LEU CA C 434 54.780 54.780 55.004 -0.224 19771 4952 1 21 . 1 1 434 434 LEU CB C 434 43.682 43.682 43.491 0.191 19771 4953 1 21 . 1 1 434 434 LEU H H 434 8.161 8.161 7.215 0.946 19771 4954 1 21 . 1 1 435 435 CYS N N 435 121.658 121.658 123.798 -2.140 19771 4955 1 21 . 1 1 435 435 CYS HA H 435 3.767 3.767 4.362 -0.595 19771 4956 1 21 . 1 1 435 435 CYS CA C 435 60.505 60.505 60.179 0.326 19771 4957 1 21 . 1 1 435 435 CYS CB C 435 31.833 31.833 27.551 4.282 19771 4958 1 21 . 1 1 435 435 CYS H H 435 8.341 8.341 8.110 0.231 19771 4959 1 21 . 1 1 436 436 HIS N N 436 129.654 129.654 127.354 2.300 19771 4960 1 21 . 1 1 436 436 HIS HA H 436 4.436 4.436 4.530 -0.094 19771 4961 1 21 . 1 1 436 436 HIS CA C 436 58.775 58.775 57.880 0.895 19771 4962 1 21 . 1 1 436 436 HIS CB C 436 32.431 32.431 30.159 2.272 19771 4963 1 21 . 1 1 436 436 HIS H H 436 9.087 9.087 8.419 0.668 19771 4964 1 21 . 1 1 437 437 ILE N N 437 121.647 121.647 118.618 3.029 19771 4965 1 21 . 1 1 437 437 ILE HA H 437 4.122 4.122 4.196 -0.074 19771 4966 1 21 . 1 1 437 437 ILE CA C 437 61.632 61.632 61.734 -0.102 19771 4967 1 21 . 1 1 437 437 ILE CB C 437 35.149 35.149 39.620 -4.471 19771 4968 1 21 . 1 1 437 437 ILE H H 437 9.294 9.294 8.070 1.224 19771 4969 1 21 . 1 1 438 438 CYS N N 438 118.756 118.756 114.736 4.020 19771 4970 1 21 . 1 1 438 438 CYS HA H 438 4.719 4.719 4.852 -0.133 19771 4971 1 21 . 1 1 438 438 CYS CB C 438 31.931 31.931 30.097 1.834 19771 4972 1 21 . 1 1 438 438 CYS H H 438 8.503 8.503 7.902 0.601 19771 4973 1 21 . 1 1 439 439 SER N N 439 116.341 116.341 114.188 2.153 19771 4974 1 21 . 1 1 439 439 SER HA H 439 4.348 4.348 4.132 0.216 19771 4975 1 21 . 1 1 439 439 SER CA C 439 60.131 60.131 59.634 0.497 19771 4976 1 21 . 1 1 439 439 SER CB C 439 62.642 62.642 61.182 1.460 19771 4977 1 21 . 1 1 439 439 SER H H 439 7.561 7.561 8.203 -0.642 19771 4978 1 21 . 1 1 440 440 SER N N 440 113.455 113.455 115.153 -1.698 19771 4979 1 21 . 1 1 440 440 SER HA H 440 4.777 4.777 4.268 0.509 19771 4980 1 21 . 1 1 440 440 SER CA C 440 58.703 58.703 59.691 -0.988 19771 4981 1 21 . 1 1 440 440 SER CB C 440 65.681 65.681 63.588 2.093 19771 4982 1 21 . 1 1 440 440 SER H H 440 8.272 8.272 8.371 -0.099 19771 4983 1 21 . 1 1 441 441 GLN N N 441 118.674 118.674 117.150 1.524 19771 4984 1 21 . 1 1 441 441 GLN HA H 441 4.865 4.865 4.700 0.165 19771 4985 1 21 . 1 1 441 441 GLN CA C 441 52.802 52.802 52.873 -0.071 19771 4986 1 21 . 1 1 441 441 GLN CB C 441 30.560 30.560 29.327 1.233 19771 4987 1 21 . 1 1 441 441 GLN H H 441 7.355 7.355 7.568 -0.213 19771 4988 1 21 . 1 1 442 442 PRO HA H 442 4.349 4.349 4.286 0.063 19771 4989 1 21 . 1 1 442 442 PRO CA C 442 63.693 63.693 62.991 0.702 19771 4990 1 21 . 1 1 442 442 PRO CB C 442 32.549 32.549 30.597 1.952 19771 4991 1 21 . 1 1 443 443 GLY N N 443 110.126 110.126 108.253 1.873 19771 4992 1 21 . 1 1 443 443 GLY CA C 443 46.097 46.097 44.514 1.583 19771 4993 1 21 . 1 1 443 443 GLY H H 443 8.819 8.819 7.590 1.229 19771 4994 1 21 . 1 1 444 444 PRO HA H 444 4.387 4.387 4.188 0.199 19771 4995 1 21 . 1 1 444 444 PRO CA C 444 63.025 63.025 63.922 -0.896 19771 4996 1 21 . 1 1 444 444 PRO CB C 444 32.737 32.737 31.875 0.862 19771 4997 1 21 . 1 1 445 445 PHE N N 445 116.262 116.262 116.501 -0.239 19771 4998 1 21 . 1 1 445 445 PHE HA H 445 4.962 4.962 5.406 -0.444 19771 4999 1 21 . 1 1 445 445 PHE CA C 445 56.014 56.014 56.294 -0.280 19771 5000 1 21 . 1 1 445 445 PHE CB C 445 40.028 40.028 42.998 -2.970 19771 5001 1 21 . 1 1 445 445 PHE H H 445 8.066 8.066 7.691 0.375 19771 5002 1 21 . 1 1 446 446 PHE N N 446 126.081 126.081 121.154 4.927 19771 5003 1 21 . 1 1 446 446 PHE HA H 446 5.050 5.050 5.345 -0.294 19771 5004 1 21 . 1 1 446 446 PHE CA C 446 56.775 56.775 56.576 0.199 19771 5005 1 21 . 1 1 446 446 PHE CB C 446 41.731 41.731 43.362 -1.631 19771 5006 1 21 . 1 1 446 446 PHE H H 446 9.446 9.446 8.687 0.759 19771 5007 1 21 . 1 1 447 447 CYS N N 447 128.746 128.746 124.339 4.407 19771 5008 1 21 . 1 1 447 447 CYS HA H 447 4.874 4.874 4.935 -0.061 19771 5009 1 21 . 1 1 447 447 CYS CA C 447 58.263 58.263 57.205 1.058 19771 5010 1 21 . 1 1 447 447 CYS CB C 447 30.994 30.994 30.384 0.610 19771 5011 1 21 . 1 1 447 447 CYS H H 447 7.729 7.729 7.716 0.013 19771 5012 1 21 . 1 1 448 448 ARG N N 448 125.530 125.530 125.038 0.492 19771 5013 1 21 . 1 1 448 448 ARG HA H 448 4.080 4.080 4.597 -0.517 19771 5014 1 21 . 1 1 448 448 ARG CA C 448 55.854 55.854 55.520 0.334 19771 5015 1 21 . 1 1 448 448 ARG CB C 448 31.200 31.200 30.760 0.440 19771 5016 1 21 . 1 1 448 448 ARG H H 448 8.783 8.783 8.751 0.032 19771 5017 1 21 . 1 1 449 449 ASP N N 449 123.969 123.969 119.412 4.557 19771 5018 1 21 . 1 1 449 449 ASP HA H 449 4.155 4.155 4.420 -0.265 19771 5019 1 21 . 1 1 449 449 ASP CA C 449 56.118 56.118 54.660 1.458 19771 5020 1 21 . 1 1 449 449 ASP CB C 449 43.634 43.634 42.225 1.409 19771 5021 1 21 . 1 1 449 449 ASP H H 449 8.117 8.117 7.264 0.853 19771 5022 1 21 . 1 1 450 450 GLN N N 450 125.410 125.410 120.744 4.666 19771 5023 1 21 . 1 1 450 450 GLN HA H 450 3.832 3.832 4.081 -0.249 19771 5024 1 21 . 1 1 450 450 GLN CA C 450 59.127 59.127 58.223 0.904 19771 5025 1 21 . 1 1 450 450 GLN CB C 450 28.699 28.699 28.930 -0.231 19771 5026 1 21 . 1 1 450 450 GLN H H 450 8.670 8.670 8.713 -0.043 19771 5027 1 21 . 1 1 451 451 VAL N N 451 113.164 113.164 113.883 -0.719 19771 5028 1 21 . 1 1 451 451 VAL HA H 451 4.240 4.240 4.208 0.032 19771 5029 1 21 . 1 1 451 451 VAL CA C 451 63.199 63.199 63.930 -0.731 19771 5030 1 21 . 1 1 451 451 VAL CB C 451 31.439 31.439 32.539 -1.100 19771 5031 1 21 . 1 1 451 451 VAL H H 451 8.591 8.591 7.840 0.751 19771 5032 1 21 . 1 1 452 452 CYS N N 452 120.986 120.986 118.026 2.960 19771 5033 1 21 . 1 1 452 452 CYS HA H 452 4.502 4.502 4.623 -0.121 19771 5034 1 21 . 1 1 452 452 CYS CA C 452 60.474 60.474 59.678 0.796 19771 5035 1 21 . 1 1 452 452 CYS CB C 452 31.715 31.715 27.384 4.331 19771 5036 1 21 . 1 1 452 452 CYS H H 452 7.963 7.963 7.481 0.482 19771 5037 1 21 . 1 1 453 453 PHE N N 453 129.406 129.406 119.897 9.509 19771 5038 1 21 . 1 1 453 453 PHE HA H 453 4.121 4.121 4.056 0.065 19771 5039 1 21 . 1 1 453 453 PHE CA C 453 59.700 59.700 59.245 0.455 19771 5040 1 21 . 1 1 453 453 PHE CB C 453 38.328 38.328 37.482 0.846 19771 5041 1 21 . 1 1 453 453 PHE H H 453 7.880 7.880 8.003 -0.123 19771 5042 1 21 . 1 1 454 454 LYS N N 454 113.628 113.628 115.079 -1.451 19771 5043 1 21 . 1 1 454 454 LYS HA H 454 4.423 4.423 4.326 0.097 19771 5044 1 21 . 1 1 454 454 LYS CA C 454 54.050 54.050 53.525 0.525 19771 5045 1 21 . 1 1 454 454 LYS CB C 454 37.833 37.833 36.308 1.525 19771 5046 1 21 . 1 1 454 454 LYS H H 454 6.384 6.384 7.033 -0.649 19771 5047 1 21 . 1 1 455 455 TYR N N 455 117.756 117.756 117.027 0.729 19771 5048 1 21 . 1 1 455 455 TYR HA H 455 5.111 5.111 4.986 0.125 19771 5049 1 21 . 1 1 455 455 TYR CA C 455 58.616 58.616 59.091 -0.475 19771 5050 1 21 . 1 1 455 455 TYR CB C 455 39.956 39.956 39.722 0.234 19771 5051 1 21 . 1 1 455 455 TYR H H 455 7.100 7.100 8.706 -1.606 19771 5052 1 21 . 1 1 456 456 PHE N N 456 117.529 117.529 116.944 0.585 19771 5053 1 21 . 1 1 456 456 PHE HA H 456 6.342 6.342 5.120 1.222 19771 5054 1 21 . 1 1 456 456 PHE CA C 456 57.017 57.017 56.850 0.167 19771 5055 1 21 . 1 1 456 456 PHE CB C 456 45.138 45.138 44.296 0.842 19771 5056 1 21 . 1 1 456 456 PHE H H 456 9.527 9.527 8.943 0.584 19771 5057 1 21 . 1 1 457 457 CYS N N 457 119.575 119.575 116.654 2.921 19771 5058 1 21 . 1 1 457 457 CYS HA H 457 5.435 5.435 5.288 0.147 19771 5059 1 21 . 1 1 457 457 CYS CA C 457 58.044 58.044 56.054 1.990 19771 5060 1 21 . 1 1 457 457 CYS CB C 457 32.277 32.277 31.724 0.553 19771 5061 1 21 . 1 1 457 457 CYS H H 457 9.710 9.710 8.755 0.955 19771 5062 1 21 . 1 1 458 458 ARG N N 458 120.479 120.479 120.982 -0.503 19771 5063 1 21 . 1 1 458 458 ARG HA H 458 3.750 3.750 3.870 -0.120 19771 5064 1 21 . 1 1 458 458 ARG CA C 458 60.863 60.863 59.119 1.744 19771 5065 1 21 . 1 1 458 458 ARG CB C 458 30.407 30.407 29.130 1.277 19771 5066 1 21 . 1 1 458 458 ARG H H 458 9.300 9.300 9.037 0.263 19771 5067 1 21 . 1 1 459 459 SER N N 459 114.502 114.502 115.562 -1.060 19771 5068 1 21 . 1 1 459 459 SER HA H 459 4.424 4.424 4.046 0.378 19771 5069 1 21 . 1 1 459 459 SER CA C 459 62.116 62.116 60.885 1.231 19771 5070 1 21 . 1 1 459 459 SER CB C 459 62.828 62.828 63.236 -0.408 19771 5071 1 21 . 1 1 459 459 SER H H 459 8.482 8.482 7.939 0.543 19771 5072 1 21 . 1 1 460 460 CYS N N 460 126.957 126.957 116.999 9.958 19771 5073 1 21 . 1 1 460 460 CYS HA H 460 4.402 4.402 4.102 0.300 19771 5074 1 21 . 1 1 460 460 CYS CA C 460 65.041 65.041 58.654 6.387 19771 5075 1 21 . 1 1 460 460 CYS CB C 460 30.694 30.694 26.277 4.417 19771 5076 1 21 . 1 1 460 460 CYS H H 460 9.474 9.474 7.342 2.132 19771 5077 1 21 . 1 1 461 461 TRP N N 461 121.032 121.032 124.113 -3.081 19771 5078 1 21 . 1 1 461 461 TRP HA H 461 3.259 3.259 4.196 -0.937 19771 5079 1 21 . 1 1 461 461 TRP CA C 461 62.794 62.794 60.999 1.795 19771 5080 1 21 . 1 1 461 461 TRP CB C 461 27.672 27.672 28.915 -1.242 19771 5081 1 21 . 1 1 461 461 TRP H H 461 9.553 9.553 8.484 1.069 19771 5082 1 21 . 1 1 462 462 HIS N N 462 119.358 119.358 114.818 4.540 19771 5083 1 21 . 1 1 462 462 HIS HA H 462 4.280 4.280 4.623 -0.343 19771 5084 1 21 . 1 1 462 462 HIS CA C 462 59.828 59.828 58.787 1.041 19771 5085 1 21 . 1 1 462 462 HIS CB C 462 30.330 30.330 29.181 1.149 19771 5086 1 21 . 1 1 462 462 HIS H H 462 8.007 8.007 7.485 0.522 19771 5087 1 21 . 1 1 463 463 TRP N N 463 121.005 121.005 117.369 3.636 19771 5088 1 21 . 1 1 463 463 TRP HA H 463 4.179 4.179 4.675 -0.496 19771 5089 1 21 . 1 1 463 463 TRP CA C 463 60.915 60.915 57.702 3.213 19771 5090 1 21 . 1 1 463 463 TRP CB C 463 28.556 28.556 28.822 -0.266 19771 5091 1 21 . 1 1 463 463 TRP H H 463 8.146 8.146 7.446 0.700 19771 5092 1 21 . 1 1 464 464 ARG N N 464 117.937 117.937 115.390 2.547 19771 5093 1 21 . 1 1 464 464 ARG HA H 464 3.160 3.160 4.336 -1.176 19771 5094 1 21 . 1 1 464 464 ARG CA C 464 57.153 57.153 55.879 1.274 19771 5095 1 21 . 1 1 464 464 ARG CB C 464 29.998 29.998 30.922 -0.923 19771 5096 1 21 . 1 1 464 464 ARG H H 464 8.136 8.136 7.366 0.770 19771 5097 1 21 . 1 1 465 465 HIS N N 465 109.139 109.139 117.988 -8.849 19771 5098 1 21 . 1 1 465 465 HIS HA H 465 3.729 3.729 4.378 -0.649 19771 5099 1 21 . 1 1 465 465 HIS CA C 465 58.797 58.797 56.175 2.622 19771 5100 1 21 . 1 1 465 465 HIS CB C 465 25.377 25.377 29.511 -4.134 19771 5101 1 21 . 1 1 465 465 HIS H H 465 7.359 7.359 8.168 -0.809 19771 5102 1 21 . 1 1 466 466 SER N N 466 112.123 112.123 114.245 -2.122 19771 5103 1 21 . 1 1 466 466 SER HA H 466 4.273 4.273 4.400 -0.127 19771 5104 1 21 . 1 1 466 466 SER CA C 466 58.999 58.999 59.175 -0.176 19771 5105 1 21 . 1 1 466 466 SER CB C 466 63.431 63.431 63.315 0.116 19771 5106 1 21 . 1 1 466 466 SER H H 466 6.897 6.897 8.353 -1.456 19771 5107 1 21 . 1 1 467 467 MET N N 467 121.282 121.282 120.011 1.271 19771 5108 1 21 . 1 1 467 467 MET HA H 467 4.133 4.133 4.823 -0.690 19771 5109 1 21 . 1 1 467 467 MET CA C 467 55.435 55.435 54.734 0.701 19771 5110 1 21 . 1 1 467 467 MET CB C 467 33.206 33.206 34.895 -1.689 19771 5111 1 21 . 1 1 467 467 MET H H 467 6.766 6.766 7.394 -0.628 19771 5112 1 21 . 1 1 468 468 GLU N N 468 122.864 122.864 120.984 1.880 19771 5113 1 21 . 1 1 468 468 GLU HA H 468 3.754 3.754 4.194 -0.440 19771 5114 1 21 . 1 1 468 468 GLU CA C 468 58.708 58.708 57.990 0.718 19771 5115 1 21 . 1 1 468 468 GLU CB C 468 29.457 29.457 29.226 0.231 19771 5116 1 21 . 1 1 468 468 GLU H H 468 8.455 8.455 8.945 -0.490 19771 5117 1 21 . 1 1 469 469 GLY N N 469 112.643 112.643 105.529 7.114 19771 5118 1 21 . 1 1 469 469 GLY CA C 469 45.398 45.398 45.687 -0.289 19771 5119 1 21 . 1 1 469 469 GLY H H 469 8.893 8.893 8.114 0.779 19771 5120 1 21 . 1 1 470 470 LEU N N 470 118.167 118.167 117.646 0.521 19771 5121 1 21 . 1 1 470 470 LEU HA H 470 3.862 3.862 4.037 -0.175 19771 5122 1 21 . 1 1 470 470 LEU CA C 470 54.284 54.284 54.007 0.277 19771 5123 1 21 . 1 1 470 470 LEU CB C 470 42.923 42.923 42.111 0.812 19771 5124 1 21 . 1 1 470 470 LEU H H 470 7.642 7.642 7.528 0.114 19771 5125 1 21 . 1 1 471 471 ARG N N 471 115.958 115.958 119.785 -3.827 19771 5126 1 21 . 1 1 471 471 ARG HA H 471 4.328 4.328 4.162 0.166 19771 5127 1 21 . 1 1 471 471 ARG CA C 471 58.357 58.357 57.912 0.445 19771 5128 1 21 . 1 1 471 471 ARG CB C 471 30.183 30.183 29.670 0.513 19771 5129 1 21 . 1 1 471 471 ARG H H 471 7.256 7.256 7.641 -0.385 19771 5130 1 21 . 1 1 472 472 HIS N N 472 113.710 113.710 115.087 -1.377 19771 5131 1 21 . 1 1 472 472 HIS HA H 472 4.635 4.635 4.746 -0.111 19771 5132 1 21 . 1 1 472 472 HIS CA C 472 56.199 56.199 55.002 1.197 19771 5133 1 21 . 1 1 472 472 HIS CB C 472 30.157 30.157 28.980 1.177 19771 5134 1 21 . 1 1 472 472 HIS H H 472 8.410 8.410 7.815 0.595 19771 5135 1 21 . 1 1 473 473 HIS N N 473 122.456 122.456 121.193 1.263 19771 5136 1 21 . 1 1 473 473 HIS HA H 473 4.418 4.418 4.471 -0.053 19771 5137 1 21 . 1 1 473 473 HIS CA C 473 55.485 55.485 56.185 -0.700 19771 5138 1 21 . 1 1 473 473 HIS CB C 473 31.291 31.291 30.571 0.720 19771 5139 1 21 . 1 1 473 473 HIS H H 473 6.899 6.899 7.350 -0.451 19771 5140 1 21 . 1 1 474 474 SER N N 474 117.590 117.590 116.596 0.994 19771 5141 1 21 . 1 1 474 474 SER HA H 474 5.065 5.065 4.901 0.164 19771 5142 1 21 . 1 1 474 474 SER CA C 474 55.164 55.164 56.083 -0.919 19771 5143 1 21 . 1 1 474 474 SER CB C 474 64.749 64.749 65.484 -0.735 19771 5144 1 21 . 1 1 474 474 SER H H 474 8.600 8.600 8.536 0.064 19771 5145 1 21 . 1 1 475 475 PRO HA H 475 4.258 4.258 4.369 -0.111 19771 5146 1 21 . 1 1 475 475 PRO CA C 475 62.975 62.975 62.613 0.362 19771 5147 1 21 . 1 1 475 475 PRO CB C 475 31.696 31.696 32.060 -0.364 19771 5148 1 21 . 1 1 476 476 LEU N N 476 123.672 123.672 122.136 1.536 19771 5149 1 21 . 1 1 476 476 LEU CB C 476 44.146 44.146 46.179 -2.033 19771 5150 1 21 . 1 1 476 476 LEU H H 476 8.843 8.843 8.239 0.604 19771 5151 1 21 . 1 1 477 477 MET N N 477 122.428 122.428 119.699 2.729 19771 5152 1 21 . 1 1 477 477 MET HA H 477 4.918 4.918 4.875 0.043 19771 5153 1 21 . 1 1 477 477 MET CA C 477 54.604 54.604 54.302 0.302 19771 5154 1 21 . 1 1 477 477 MET CB C 477 34.225 34.225 35.237 -1.012 19771 5155 1 21 . 1 1 477 477 MET H H 477 8.564 8.564 8.344 0.220 19771 5156 1 21 . 1 1 478 478 ARG N N 478 123.419 123.419 122.450 0.969 19771 5157 1 21 . 1 1 478 478 ARG CB C 478 32.024 32.024 30.350 1.674 19771 5158 1 21 . 1 1 478 478 ARG H H 478 8.825 8.825 8.743 0.082 19771 5159 1 21 . 1 1 481 481 LYS N N 481 122.000 122.000 120.811 1.189 19771 5160 1 21 . 1 1 481 481 LYS H H 481 8.284 8.284 8.568 -0.284 19771 5161 1 21 . 1 1 482 482 ASN N N 482 119.466 119.466 120.536 -1.070 19771 5162 1 21 . 1 1 482 482 ASN H H 482 8.379 8.379 8.599 -0.220 19771 5163 1 21 . 1 1 483 483 ARG N N 483 121.400 121.400 120.409 0.991 19771 5164 1 21 . 1 1 483 483 ARG H H 483 8.302 8.302 8.091 0.211 19771 5165 1 21 . 1 1 485 485 SER N N 485 115.800 115.800 113.107 2.693 19771 5166 1 21 . 1 1 485 485 SER H H 485 8.112 8.112 7.705 0.407 19771 5167 1 22 . 1 1 427 427 ASP N N 427 125.779 125.779 126.248 -0.469 19771 5168 1 22 . 1 1 427 427 ASP HA H 427 4.829 4.829 5.256 -0.427 19771 5169 1 22 . 1 1 427 427 ASP CA C 427 52.150 52.150 53.266 -1.116 19771 5170 1 22 . 1 1 427 427 ASP CB C 427 41.537 41.537 43.265 -1.728 19771 5171 1 22 . 1 1 427 427 ASP H H 427 8.293 8.293 8.701 -0.408 19771 5172 1 22 . 1 1 428 428 PRO HA H 428 4.229 4.229 4.585 -0.356 19771 5173 1 22 . 1 1 428 428 PRO CA C 428 63.337 63.337 62.739 0.598 19771 5174 1 22 . 1 1 428 428 PRO CB C 428 32.019 32.019 33.468 -1.449 19771 5175 1 22 . 1 1 429 429 TYR N N 429 119.152 119.152 119.070 0.082 19771 5176 1 22 . 1 1 429 429 TYR HA H 429 4.421 4.421 4.606 -0.185 19771 5177 1 22 . 1 1 429 429 TYR CA C 429 57.961 57.961 58.033 -0.072 19771 5178 1 22 . 1 1 429 429 TYR CB C 429 37.968 37.968 39.258 -1.290 19771 5179 1 22 . 1 1 429 429 TYR H H 429 8.136 8.136 8.273 -0.137 19771 5180 1 22 . 1 1 430 430 LEU N N 430 122.733 122.733 124.345 -1.612 19771 5181 1 22 . 1 1 430 430 LEU HA H 430 4.205 4.205 4.199 0.006 19771 5182 1 22 . 1 1 430 430 LEU CA C 430 54.950 54.950 57.156 -2.206 19771 5183 1 22 . 1 1 430 430 LEU CB C 430 42.474 42.474 41.323 1.151 19771 5184 1 22 . 1 1 430 430 LEU H H 430 7.596 7.596 8.095 -0.499 19771 5185 1 22 . 1 1 431 431 GLU N N 431 120.614 120.614 114.452 6.162 19771 5186 1 22 . 1 1 431 431 GLU H H 431 8.157 8.157 8.546 -0.389 19771 5187 1 22 . 1 1 432 432 ASP HA H 432 4.387 4.387 4.535 -0.148 19771 5188 1 22 . 1 1 432 432 ASP CA C 432 54.365 54.365 53.805 0.560 19771 5189 1 22 . 1 1 432 432 ASP CB C 432 41.027 41.027 41.739 -0.712 19771 5190 1 22 . 1 1 433 433 SER N N 433 116.511 116.511 112.833 3.678 19771 5191 1 22 . 1 1 433 433 SER HA H 433 4.222 4.222 4.426 -0.204 19771 5192 1 22 . 1 1 433 433 SER CA C 433 57.811 57.811 57.770 0.041 19771 5193 1 22 . 1 1 433 433 SER CB C 433 64.342 64.342 65.732 -1.390 19771 5194 1 22 . 1 1 433 433 SER H H 433 7.926 7.926 7.561 0.365 19771 5195 1 22 . 1 1 434 434 LEU N N 434 124.239 124.239 121.087 3.152 19771 5196 1 22 . 1 1 434 434 LEU HA H 434 4.301 4.301 4.628 -0.327 19771 5197 1 22 . 1 1 434 434 LEU CA C 434 54.780 54.780 54.160 0.619 19771 5198 1 22 . 1 1 434 434 LEU CB C 434 43.682 43.682 45.487 -1.806 19771 5199 1 22 . 1 1 434 434 LEU H H 434 8.161 8.161 7.306 0.855 19771 5200 1 22 . 1 1 435 435 CYS N N 435 121.658 121.658 121.744 -0.086 19771 5201 1 22 . 1 1 435 435 CYS HA H 435 3.767 3.767 4.371 -0.604 19771 5202 1 22 . 1 1 435 435 CYS CA C 435 60.505 60.505 60.356 0.149 19771 5203 1 22 . 1 1 435 435 CYS CB C 435 31.833 31.833 27.590 4.243 19771 5204 1 22 . 1 1 435 435 CYS H H 435 8.341 8.341 8.341 -0.000 19771 5205 1 22 . 1 1 436 436 HIS N N 436 129.654 129.654 126.490 3.164 19771 5206 1 22 . 1 1 436 436 HIS HA H 436 4.436 4.436 4.647 -0.211 19771 5207 1 22 . 1 1 436 436 HIS CA C 436 58.775 58.775 57.821 0.954 19771 5208 1 22 . 1 1 436 436 HIS CB C 436 32.431 32.431 30.462 1.968 19771 5209 1 22 . 1 1 436 436 HIS H H 436 9.087 9.087 8.558 0.529 19771 5210 1 22 . 1 1 437 437 ILE N N 437 121.647 121.647 119.421 2.226 19771 5211 1 22 . 1 1 437 437 ILE HA H 437 4.122 4.122 4.209 -0.087 19771 5212 1 22 . 1 1 437 437 ILE CA C 437 61.632 61.632 61.697 -0.065 19771 5213 1 22 . 1 1 437 437 ILE CB C 437 35.149 35.149 39.618 -4.469 19771 5214 1 22 . 1 1 437 437 ILE H H 437 9.294 9.294 7.959 1.335 19771 5215 1 22 . 1 1 438 438 CYS N N 438 118.756 118.756 115.043 3.713 19771 5216 1 22 . 1 1 438 438 CYS HA H 438 4.719 4.719 4.841 -0.122 19771 5217 1 22 . 1 1 438 438 CYS CB C 438 31.931 31.931 29.488 2.443 19771 5218 1 22 . 1 1 438 438 CYS H H 438 8.503 8.503 7.904 0.599 19771 5219 1 22 . 1 1 439 439 SER N N 439 116.341 116.341 116.179 0.162 19771 5220 1 22 . 1 1 439 439 SER HA H 439 4.348 4.348 4.129 0.219 19771 5221 1 22 . 1 1 439 439 SER CA C 439 60.131 60.131 59.816 0.315 19771 5222 1 22 . 1 1 439 439 SER CB C 439 62.642 62.642 61.302 1.340 19771 5223 1 22 . 1 1 439 439 SER H H 439 7.561 7.561 8.771 -1.210 19771 5224 1 22 . 1 1 440 440 SER N N 440 113.455 113.455 114.689 -1.234 19771 5225 1 22 . 1 1 440 440 SER HA H 440 4.777 4.777 4.459 0.318 19771 5226 1 22 . 1 1 440 440 SER CA C 440 58.703 58.703 59.817 -1.114 19771 5227 1 22 . 1 1 440 440 SER CB C 440 65.681 65.681 64.372 1.309 19771 5228 1 22 . 1 1 440 440 SER H H 440 8.272 8.272 8.135 0.137 19771 5229 1 22 . 1 1 441 441 GLN N N 441 118.674 118.674 118.608 0.066 19771 5230 1 22 . 1 1 441 441 GLN HA H 441 4.865 4.865 4.746 0.119 19771 5231 1 22 . 1 1 441 441 GLN CA C 441 52.802 52.802 52.646 0.156 19771 5232 1 22 . 1 1 441 441 GLN CB C 441 30.560 30.560 29.777 0.783 19771 5233 1 22 . 1 1 441 441 GLN H H 441 7.355 7.355 7.458 -0.103 19771 5234 1 22 . 1 1 442 442 PRO HA H 442 4.349 4.349 4.292 0.057 19771 5235 1 22 . 1 1 442 442 PRO CA C 442 63.693 63.693 63.422 0.271 19771 5236 1 22 . 1 1 442 442 PRO CB C 442 32.549 32.549 31.783 0.766 19771 5237 1 22 . 1 1 443 443 GLY N N 443 110.126 110.126 106.396 3.730 19771 5238 1 22 . 1 1 443 443 GLY CA C 443 46.097 46.097 44.826 1.271 19771 5239 1 22 . 1 1 443 443 GLY H H 443 8.819 8.819 8.060 0.759 19771 5240 1 22 . 1 1 444 444 PRO HA H 444 4.387 4.387 4.176 0.211 19771 5241 1 22 . 1 1 444 444 PRO CA C 444 63.025 63.025 63.967 -0.942 19771 5242 1 22 . 1 1 444 444 PRO CB C 444 32.737 32.737 31.700 1.037 19771 5243 1 22 . 1 1 445 445 PHE N N 445 116.262 116.262 117.327 -1.065 19771 5244 1 22 . 1 1 445 445 PHE HA H 445 4.962 4.962 5.554 -0.592 19771 5245 1 22 . 1 1 445 445 PHE CA C 445 56.014 56.014 55.775 0.239 19771 5246 1 22 . 1 1 445 445 PHE CB C 445 40.028 40.028 42.929 -2.901 19771 5247 1 22 . 1 1 445 445 PHE H H 445 8.066 8.066 7.961 0.105 19771 5248 1 22 . 1 1 446 446 PHE N N 446 126.081 126.081 120.629 5.452 19771 5249 1 22 . 1 1 446 446 PHE HA H 446 5.050 5.050 5.434 -0.384 19771 5250 1 22 . 1 1 446 446 PHE CA C 446 56.775 56.775 56.760 0.015 19771 5251 1 22 . 1 1 446 446 PHE CB C 446 41.731 41.731 42.791 -1.060 19771 5252 1 22 . 1 1 446 446 PHE H H 446 9.446 9.446 8.469 0.977 19771 5253 1 22 . 1 1 447 447 CYS N N 447 128.746 128.746 124.508 4.238 19771 5254 1 22 . 1 1 447 447 CYS HA H 447 4.874 4.874 5.042 -0.168 19771 5255 1 22 . 1 1 447 447 CYS CA C 447 58.263 58.263 56.891 1.372 19771 5256 1 22 . 1 1 447 447 CYS CB C 447 30.994 30.994 30.644 0.350 19771 5257 1 22 . 1 1 447 447 CYS H H 447 7.729 7.729 7.811 -0.082 19771 5258 1 22 . 1 1 448 448 ARG N N 448 125.530 125.530 124.348 1.182 19771 5259 1 22 . 1 1 448 448 ARG HA H 448 4.080 4.080 4.957 -0.877 19771 5260 1 22 . 1 1 448 448 ARG CA C 448 55.854 55.854 55.780 0.074 19771 5261 1 22 . 1 1 448 448 ARG CB C 448 31.200 31.200 30.259 0.941 19771 5262 1 22 . 1 1 448 448 ARG H H 448 8.783 8.783 8.517 0.266 19771 5263 1 22 . 1 1 449 449 ASP N N 449 123.969 123.969 119.978 3.991 19771 5264 1 22 . 1 1 449 449 ASP HA H 449 4.155 4.155 4.802 -0.647 19771 5265 1 22 . 1 1 449 449 ASP CA C 449 56.118 56.118 52.980 3.138 19771 5266 1 22 . 1 1 449 449 ASP CB C 449 43.634 43.634 43.946 -0.312 19771 5267 1 22 . 1 1 449 449 ASP H H 449 8.117 8.117 8.385 -0.268 19771 5268 1 22 . 1 1 450 450 GLN N N 450 125.410 125.410 120.352 5.058 19771 5269 1 22 . 1 1 450 450 GLN HA H 450 3.832 3.832 4.188 -0.355 19771 5270 1 22 . 1 1 450 450 GLN CA C 450 59.127 59.127 57.870 1.257 19771 5271 1 22 . 1 1 450 450 GLN CB C 450 28.699 28.699 29.127 -0.428 19771 5272 1 22 . 1 1 450 450 GLN H H 450 8.670 8.670 8.641 0.029 19771 5273 1 22 . 1 1 451 451 VAL N N 451 113.164 113.164 113.717 -0.553 19771 5274 1 22 . 1 1 451 451 VAL HA H 451 4.240 4.240 4.261 -0.021 19771 5275 1 22 . 1 1 451 451 VAL CA C 451 63.199 63.199 62.873 0.326 19771 5276 1 22 . 1 1 451 451 VAL CB C 451 31.439 31.439 33.444 -2.005 19771 5277 1 22 . 1 1 451 451 VAL H H 451 8.591 8.591 7.927 0.664 19771 5278 1 22 . 1 1 452 452 CYS N N 452 120.986 120.986 115.048 5.938 19771 5279 1 22 . 1 1 452 452 CYS HA H 452 4.502 4.502 5.002 -0.500 19771 5280 1 22 . 1 1 452 452 CYS CA C 452 60.474 60.474 56.266 4.208 19771 5281 1 22 . 1 1 452 452 CYS CB C 452 31.715 31.715 29.917 1.798 19771 5282 1 22 . 1 1 452 452 CYS H H 452 7.963 7.963 7.357 0.606 19771 5283 1 22 . 1 1 453 453 PHE N N 453 129.406 129.406 122.369 7.037 19771 5284 1 22 . 1 1 453 453 PHE HA H 453 4.121 4.121 5.001 -0.880 19771 5285 1 22 . 1 1 453 453 PHE CA C 453 59.700 59.700 56.978 2.722 19771 5286 1 22 . 1 1 453 453 PHE CB C 453 38.328 38.328 39.734 -1.406 19771 5287 1 22 . 1 1 453 453 PHE H H 453 7.880 7.880 8.736 -0.856 19771 5288 1 22 . 1 1 454 454 LYS N N 454 113.628 113.628 118.214 -4.586 19771 5289 1 22 . 1 1 454 454 LYS HA H 454 4.423 4.423 4.281 0.142 19771 5290 1 22 . 1 1 454 454 LYS CA C 454 54.050 54.050 54.002 0.048 19771 5291 1 22 . 1 1 454 454 LYS CB C 454 37.833 37.833 34.973 2.860 19771 5292 1 22 . 1 1 454 454 LYS H H 454 6.384 6.384 7.418 -1.034 19771 5293 1 22 . 1 1 455 455 TYR N N 455 117.756 117.756 116.926 0.830 19771 5294 1 22 . 1 1 455 455 TYR HA H 455 5.111 5.111 5.076 0.035 19771 5295 1 22 . 1 1 455 455 TYR CA C 455 58.616 58.616 58.883 -0.267 19771 5296 1 22 . 1 1 455 455 TYR CB C 455 39.956 39.956 39.605 0.351 19771 5297 1 22 . 1 1 455 455 TYR H H 455 7.100 7.100 8.465 -1.365 19771 5298 1 22 . 1 1 456 456 PHE N N 456 117.529 117.529 117.639 -0.110 19771 5299 1 22 . 1 1 456 456 PHE HA H 456 6.342 6.342 5.169 1.173 19771 5300 1 22 . 1 1 456 456 PHE CA C 456 57.017 57.017 56.650 0.367 19771 5301 1 22 . 1 1 456 456 PHE CB C 456 45.138 45.138 44.248 0.890 19771 5302 1 22 . 1 1 456 456 PHE H H 456 9.527 9.527 9.165 0.362 19771 5303 1 22 . 1 1 457 457 CYS N N 457 119.575 119.575 116.907 2.668 19771 5304 1 22 . 1 1 457 457 CYS HA H 457 5.435 5.435 5.227 0.208 19771 5305 1 22 . 1 1 457 457 CYS CA C 457 58.044 58.044 56.589 1.455 19771 5306 1 22 . 1 1 457 457 CYS CB C 457 32.277 32.277 31.313 0.964 19771 5307 1 22 . 1 1 457 457 CYS H H 457 9.710 9.710 8.952 0.758 19771 5308 1 22 . 1 1 458 458 ARG N N 458 120.479 120.479 121.109 -0.630 19771 5309 1 22 . 1 1 458 458 ARG HA H 458 3.750 3.750 3.853 -0.103 19771 5310 1 22 . 1 1 458 458 ARG CA C 458 60.863 60.863 60.060 0.803 19771 5311 1 22 . 1 1 458 458 ARG CB C 458 30.407 30.407 30.220 0.187 19771 5312 1 22 . 1 1 458 458 ARG H H 458 9.300 9.300 8.911 0.389 19771 5313 1 22 . 1 1 459 459 SER N N 459 114.502 114.502 113.343 1.159 19771 5314 1 22 . 1 1 459 459 SER HA H 459 4.424 4.424 4.065 0.359 19771 5315 1 22 . 1 1 459 459 SER CA C 459 62.116 62.116 60.835 1.281 19771 5316 1 22 . 1 1 459 459 SER CB C 459 62.828 62.828 62.953 -0.125 19771 5317 1 22 . 1 1 459 459 SER H H 459 8.482 8.482 8.197 0.285 19771 5318 1 22 . 1 1 460 460 CYS N N 460 126.957 126.957 117.673 9.284 19771 5319 1 22 . 1 1 460 460 CYS HA H 460 4.402 4.402 3.940 0.462 19771 5320 1 22 . 1 1 460 460 CYS CA C 460 65.041 65.041 58.056 6.985 19771 5321 1 22 . 1 1 460 460 CYS CB C 460 30.694 30.694 26.397 4.297 19771 5322 1 22 . 1 1 460 460 CYS H H 460 9.474 9.474 7.469 2.005 19771 5323 1 22 . 1 1 461 461 TRP N N 461 121.032 121.032 123.614 -2.582 19771 5324 1 22 . 1 1 461 461 TRP HA H 461 3.259 3.259 4.020 -0.761 19771 5325 1 22 . 1 1 461 461 TRP CA C 461 62.794 62.794 60.738 2.056 19771 5326 1 22 . 1 1 461 461 TRP CB C 461 27.672 27.672 28.996 -1.324 19771 5327 1 22 . 1 1 461 461 TRP H H 461 9.553 9.553 8.566 0.987 19771 5328 1 22 . 1 1 462 462 HIS N N 462 119.358 119.358 115.703 3.655 19771 5329 1 22 . 1 1 462 462 HIS HA H 462 4.280 4.280 4.472 -0.192 19771 5330 1 22 . 1 1 462 462 HIS CA C 462 59.828 59.828 58.718 1.111 19771 5331 1 22 . 1 1 462 462 HIS CB C 462 30.330 30.330 29.247 1.083 19771 5332 1 22 . 1 1 462 462 HIS H H 462 8.007 8.007 7.416 0.591 19771 5333 1 22 . 1 1 463 463 TRP N N 463 121.005 121.005 118.084 2.921 19771 5334 1 22 . 1 1 463 463 TRP HA H 463 4.179 4.179 4.604 -0.425 19771 5335 1 22 . 1 1 463 463 TRP CA C 463 60.915 60.915 58.635 2.280 19771 5336 1 22 . 1 1 463 463 TRP CB C 463 28.556 28.556 28.425 0.131 19771 5337 1 22 . 1 1 463 463 TRP H H 463 8.146 8.146 7.496 0.650 19771 5338 1 22 . 1 1 464 464 ARG N N 464 117.937 117.937 114.620 3.317 19771 5339 1 22 . 1 1 464 464 ARG HA H 464 3.160 3.160 4.232 -1.072 19771 5340 1 22 . 1 1 464 464 ARG CA C 464 57.153 57.153 55.490 1.663 19771 5341 1 22 . 1 1 464 464 ARG CB C 464 29.998 29.998 30.169 -0.172 19771 5342 1 22 . 1 1 464 464 ARG H H 464 8.136 8.136 7.155 0.981 19771 5343 1 22 . 1 1 465 465 HIS N N 465 109.139 109.139 115.746 -6.607 19771 5344 1 22 . 1 1 465 465 HIS HA H 465 3.729 3.729 4.620 -0.891 19771 5345 1 22 . 1 1 465 465 HIS CA C 465 58.797 58.797 55.337 3.460 19771 5346 1 22 . 1 1 465 465 HIS CB C 465 25.377 25.377 30.637 -5.260 19771 5347 1 22 . 1 1 465 465 HIS H H 465 7.359 7.359 7.505 -0.146 19771 5348 1 22 . 1 1 466 466 SER N N 466 112.123 112.123 115.740 -3.617 19771 5349 1 22 . 1 1 466 466 SER HA H 466 4.273 4.273 4.211 0.062 19771 5350 1 22 . 1 1 466 466 SER CA C 466 58.999 58.999 59.944 -0.945 19771 5351 1 22 . 1 1 466 466 SER CB C 466 63.431 63.431 63.596 -0.165 19771 5352 1 22 . 1 1 466 466 SER H H 466 6.897 6.897 7.884 -0.987 19771 5353 1 22 . 1 1 467 467 MET N N 467 121.282 121.282 118.232 3.050 19771 5354 1 22 . 1 1 467 467 MET HA H 467 4.133 4.133 4.706 -0.573 19771 5355 1 22 . 1 1 467 467 MET CA C 467 55.435 55.435 55.568 -0.133 19771 5356 1 22 . 1 1 467 467 MET CB C 467 33.206 33.206 34.175 -0.969 19771 5357 1 22 . 1 1 467 467 MET H H 467 6.766 6.766 7.382 -0.616 19771 5358 1 22 . 1 1 468 468 GLU N N 468 122.864 122.864 121.042 1.822 19771 5359 1 22 . 1 1 468 468 GLU HA H 468 3.754 3.754 4.147 -0.393 19771 5360 1 22 . 1 1 468 468 GLU CA C 468 58.708 58.708 57.486 1.222 19771 5361 1 22 . 1 1 468 468 GLU CB C 468 29.457 29.457 28.546 0.911 19771 5362 1 22 . 1 1 468 468 GLU H H 468 8.455 8.455 8.825 -0.370 19771 5363 1 22 . 1 1 469 469 GLY N N 469 112.643 112.643 106.720 5.923 19771 5364 1 22 . 1 1 469 469 GLY CA C 469 45.398 45.398 45.579 -0.181 19771 5365 1 22 . 1 1 469 469 GLY H H 469 8.893 8.893 8.027 0.866 19771 5366 1 22 . 1 1 470 470 LEU N N 470 118.167 118.167 118.790 -0.623 19771 5367 1 22 . 1 1 470 470 LEU HA H 470 3.862 3.862 4.445 -0.583 19771 5368 1 22 . 1 1 470 470 LEU CA C 470 54.284 54.284 53.667 0.617 19771 5369 1 22 . 1 1 470 470 LEU CB C 470 42.923 42.923 42.319 0.604 19771 5370 1 22 . 1 1 470 470 LEU H H 470 7.642 7.642 7.290 0.352 19771 5371 1 22 . 1 1 471 471 ARG N N 471 115.958 115.958 119.173 -3.215 19771 5372 1 22 . 1 1 471 471 ARG HA H 471 4.328 4.328 4.126 0.202 19771 5373 1 22 . 1 1 471 471 ARG CA C 471 58.357 58.357 57.734 0.623 19771 5374 1 22 . 1 1 471 471 ARG CB C 471 30.183 30.183 29.555 0.628 19771 5375 1 22 . 1 1 471 471 ARG H H 471 7.256 7.256 8.433 -1.177 19771 5376 1 22 . 1 1 472 472 HIS N N 472 113.710 113.710 114.044 -0.334 19771 5377 1 22 . 1 1 472 472 HIS HA H 472 4.635 4.635 4.644 -0.009 19771 5378 1 22 . 1 1 472 472 HIS CA C 472 56.199 56.199 55.568 0.631 19771 5379 1 22 . 1 1 472 472 HIS CB C 472 30.157 30.157 29.099 1.058 19771 5380 1 22 . 1 1 472 472 HIS H H 472 8.410 8.410 8.304 0.106 19771 5381 1 22 . 1 1 473 473 HIS N N 473 122.456 122.456 120.973 1.483 19771 5382 1 22 . 1 1 473 473 HIS HA H 473 4.418 4.418 4.295 0.123 19771 5383 1 22 . 1 1 473 473 HIS CA C 473 55.485 55.485 56.377 -0.891 19771 5384 1 22 . 1 1 473 473 HIS CB C 473 31.291 31.291 30.305 0.986 19771 5385 1 22 . 1 1 473 473 HIS H H 473 6.899 6.899 7.071 -0.172 19771 5386 1 22 . 1 1 474 474 SER N N 474 117.590 117.590 115.979 1.611 19771 5387 1 22 . 1 1 474 474 SER HA H 474 5.065 5.065 4.890 0.175 19771 5388 1 22 . 1 1 474 474 SER CA C 474 55.164 55.164 55.834 -0.670 19771 5389 1 22 . 1 1 474 474 SER CB C 474 64.749 64.749 64.835 -0.086 19771 5390 1 22 . 1 1 474 474 SER H H 474 8.600 8.600 8.314 0.286 19771 5391 1 22 . 1 1 475 475 PRO HA H 475 4.258 4.258 4.748 -0.490 19771 5392 1 22 . 1 1 475 475 PRO CA C 475 62.975 62.975 62.170 0.805 19771 5393 1 22 . 1 1 475 475 PRO CB C 475 31.696 31.696 31.783 -0.087 19771 5394 1 22 . 1 1 476 476 LEU N N 476 123.672 123.672 124.127 -0.455 19771 5395 1 22 . 1 1 476 476 LEU CB C 476 44.146 44.146 44.334 -0.188 19771 5396 1 22 . 1 1 476 476 LEU H H 476 8.843 8.843 8.497 0.346 19771 5397 1 22 . 1 1 477 477 MET N N 477 122.428 122.428 118.903 3.525 19771 5398 1 22 . 1 1 477 477 MET HA H 477 4.918 4.918 4.799 0.119 19771 5399 1 22 . 1 1 477 477 MET CA C 477 54.604 54.604 55.764 -1.160 19771 5400 1 22 . 1 1 477 477 MET CB C 477 34.225 34.225 33.894 0.331 19771 5401 1 22 . 1 1 477 477 MET H H 477 8.564 8.564 8.488 0.076 19771 5402 1 22 . 1 1 478 478 ARG N N 478 123.419 123.419 118.850 4.569 19771 5403 1 22 . 1 1 478 478 ARG CB C 478 32.024 32.024 32.146 -0.122 19771 5404 1 22 . 1 1 478 478 ARG H H 478 8.825 8.825 7.660 1.165 19771 5405 1 22 . 1 1 481 481 LYS N N 481 122.000 122.000 120.632 1.368 19771 5406 1 22 . 1 1 481 481 LYS H H 481 8.284 8.284 8.495 -0.211 19771 5407 1 22 . 1 1 482 482 ASN N N 482 119.466 119.466 118.740 0.726 19771 5408 1 22 . 1 1 482 482 ASN H H 482 8.379 8.379 8.533 -0.154 19771 5409 1 22 . 1 1 483 483 ARG N N 483 121.400 121.400 120.388 1.012 19771 5410 1 22 . 1 1 483 483 ARG H H 483 8.302 8.302 8.628 -0.326 19771 5411 1 22 . 1 1 485 485 SER N N 485 115.800 115.800 116.469 -0.669 19771 5412 1 22 . 1 1 485 485 SER H H 485 8.112 8.112 8.343 -0.231 19771 5413 1 23 . 1 1 427 427 ASP N N 427 125.779 125.779 122.820 2.959 19771 5414 1 23 . 1 1 427 427 ASP HA H 427 4.829 4.829 5.220 -0.391 19771 5415 1 23 . 1 1 427 427 ASP CA C 427 52.150 52.150 53.479 -1.329 19771 5416 1 23 . 1 1 427 427 ASP CB C 427 41.537 41.537 43.648 -2.111 19771 5417 1 23 . 1 1 427 427 ASP H H 427 8.293 8.293 9.036 -0.743 19771 5418 1 23 . 1 1 428 428 PRO HA H 428 4.229 4.229 4.734 -0.505 19771 5419 1 23 . 1 1 428 428 PRO CA C 428 63.337 63.337 62.925 0.412 19771 5420 1 23 . 1 1 428 428 PRO CB C 428 32.019 32.019 32.850 -0.831 19771 5421 1 23 . 1 1 429 429 TYR N N 429 119.152 119.152 115.055 4.097 19771 5422 1 23 . 1 1 429 429 TYR HA H 429 4.421 4.421 4.819 -0.398 19771 5423 1 23 . 1 1 429 429 TYR CA C 429 57.961 57.961 57.731 0.230 19771 5424 1 23 . 1 1 429 429 TYR CB C 429 37.968 37.968 38.601 -0.633 19771 5425 1 23 . 1 1 429 429 TYR H H 429 8.136 8.136 8.045 0.091 19771 5426 1 23 . 1 1 430 430 LEU N N 430 122.733 122.733 121.604 1.129 19771 5427 1 23 . 1 1 430 430 LEU HA H 430 4.205 4.205 4.500 -0.295 19771 5428 1 23 . 1 1 430 430 LEU CA C 430 54.950 54.950 53.300 1.650 19771 5429 1 23 . 1 1 430 430 LEU CB C 430 42.474 42.474 44.368 -1.894 19771 5430 1 23 . 1 1 430 430 LEU H H 430 7.596 7.596 7.448 0.148 19771 5431 1 23 . 1 1 431 431 GLU N N 431 120.614 120.614 121.692 -1.078 19771 5432 1 23 . 1 1 431 431 GLU H H 431 8.157 8.157 8.401 -0.244 19771 5433 1 23 . 1 1 432 432 ASP HA H 432 4.387 4.387 4.375 0.012 19771 5434 1 23 . 1 1 432 432 ASP CA C 432 54.365 54.365 55.589 -1.224 19771 5435 1 23 . 1 1 432 432 ASP CB C 432 41.027 41.027 40.909 0.118 19771 5436 1 23 . 1 1 433 433 SER N N 433 116.511 116.511 110.908 5.603 19771 5437 1 23 . 1 1 433 433 SER HA H 433 4.222 4.222 4.232 -0.010 19771 5438 1 23 . 1 1 433 433 SER CA C 433 57.811 57.811 57.484 0.327 19771 5439 1 23 . 1 1 433 433 SER CB C 433 64.342 64.342 63.730 0.612 19771 5440 1 23 . 1 1 433 433 SER H H 433 7.926 7.926 7.622 0.304 19771 5441 1 23 . 1 1 434 434 LEU N N 434 124.239 124.239 121.349 2.890 19771 5442 1 23 . 1 1 434 434 LEU HA H 434 4.301 4.301 4.609 -0.308 19771 5443 1 23 . 1 1 434 434 LEU CA C 434 54.780 54.780 54.260 0.520 19771 5444 1 23 . 1 1 434 434 LEU CB C 434 43.682 43.682 45.510 -1.828 19771 5445 1 23 . 1 1 434 434 LEU H H 434 8.161 8.161 7.148 1.013 19771 5446 1 23 . 1 1 435 435 CYS N N 435 121.658 121.658 123.374 -1.716 19771 5447 1 23 . 1 1 435 435 CYS HA H 435 3.767 3.767 4.483 -0.716 19771 5448 1 23 . 1 1 435 435 CYS CA C 435 60.505 60.505 59.549 0.956 19771 5449 1 23 . 1 1 435 435 CYS CB C 435 31.833 31.833 28.070 3.763 19771 5450 1 23 . 1 1 435 435 CYS H H 435 8.341 8.341 8.638 -0.297 19771 5451 1 23 . 1 1 436 436 HIS N N 436 129.654 129.654 125.623 4.031 19771 5452 1 23 . 1 1 436 436 HIS HA H 436 4.436 4.436 4.508 -0.072 19771 5453 1 23 . 1 1 436 436 HIS CA C 436 58.775 58.775 57.524 1.251 19771 5454 1 23 . 1 1 436 436 HIS CB C 436 32.431 32.431 31.144 1.287 19771 5455 1 23 . 1 1 436 436 HIS H H 436 9.087 9.087 8.351 0.736 19771 5456 1 23 . 1 1 437 437 ILE N N 437 121.647 121.647 116.776 4.871 19771 5457 1 23 . 1 1 437 437 ILE HA H 437 4.122 4.122 4.296 -0.174 19771 5458 1 23 . 1 1 437 437 ILE CA C 437 61.632 61.632 61.341 0.291 19771 5459 1 23 . 1 1 437 437 ILE CB C 437 35.149 35.149 38.642 -3.493 19771 5460 1 23 . 1 1 437 437 ILE H H 437 9.294 9.294 7.649 1.645 19771 5461 1 23 . 1 1 438 438 CYS N N 438 118.756 118.756 113.555 5.201 19771 5462 1 23 . 1 1 438 438 CYS HA H 438 4.719 4.719 4.831 -0.112 19771 5463 1 23 . 1 1 438 438 CYS CB C 438 31.931 31.931 29.988 1.943 19771 5464 1 23 . 1 1 438 438 CYS H H 438 8.503 8.503 7.802 0.701 19771 5465 1 23 . 1 1 439 439 SER N N 439 116.341 116.341 115.464 0.877 19771 5466 1 23 . 1 1 439 439 SER HA H 439 4.348 4.348 4.217 0.131 19771 5467 1 23 . 1 1 439 439 SER CA C 439 60.131 60.131 59.544 0.587 19771 5468 1 23 . 1 1 439 439 SER CB C 439 62.642 62.642 61.468 1.173 19771 5469 1 23 . 1 1 439 439 SER H H 439 7.561 7.561 8.199 -0.638 19771 5470 1 23 . 1 1 440 440 SER N N 440 113.455 113.455 114.558 -1.103 19771 5471 1 23 . 1 1 440 440 SER HA H 440 4.777 4.777 4.290 0.487 19771 5472 1 23 . 1 1 440 440 SER CA C 440 58.703 58.703 59.944 -1.241 19771 5473 1 23 . 1 1 440 440 SER CB C 440 65.681 65.681 63.760 1.921 19771 5474 1 23 . 1 1 440 440 SER H H 440 8.272 8.272 8.182 0.090 19771 5475 1 23 . 1 1 441 441 GLN N N 441 118.674 118.674 118.839 -0.165 19771 5476 1 23 . 1 1 441 441 GLN HA H 441 4.865 4.865 4.734 0.131 19771 5477 1 23 . 1 1 441 441 GLN CA C 441 52.802 52.802 52.838 -0.036 19771 5478 1 23 . 1 1 441 441 GLN CB C 441 30.560 30.560 29.182 1.378 19771 5479 1 23 . 1 1 441 441 GLN H H 441 7.355 7.355 7.529 -0.174 19771 5480 1 23 . 1 1 442 442 PRO HA H 442 4.349 4.349 4.428 -0.079 19771 5481 1 23 . 1 1 442 442 PRO CA C 442 63.693 63.693 63.353 0.340 19771 5482 1 23 . 1 1 442 442 PRO CB C 442 32.549 32.549 31.220 1.329 19771 5483 1 23 . 1 1 443 443 GLY N N 443 110.126 110.126 106.327 3.799 19771 5484 1 23 . 1 1 443 443 GLY CA C 443 46.097 46.097 44.808 1.289 19771 5485 1 23 . 1 1 443 443 GLY H H 443 8.819 8.819 7.881 0.938 19771 5486 1 23 . 1 1 444 444 PRO HA H 444 4.387 4.387 4.149 0.238 19771 5487 1 23 . 1 1 444 444 PRO CA C 444 63.025 63.025 63.584 -0.559 19771 5488 1 23 . 1 1 444 444 PRO CB C 444 32.737 32.737 31.598 1.139 19771 5489 1 23 . 1 1 445 445 PHE N N 445 116.262 116.262 116.085 0.177 19771 5490 1 23 . 1 1 445 445 PHE HA H 445 4.962 4.962 5.220 -0.258 19771 5491 1 23 . 1 1 445 445 PHE CA C 445 56.014 56.014 56.167 -0.153 19771 5492 1 23 . 1 1 445 445 PHE CB C 445 40.028 40.028 42.614 -2.586 19771 5493 1 23 . 1 1 445 445 PHE H H 445 8.066 8.066 7.818 0.248 19771 5494 1 23 . 1 1 446 446 PHE N N 446 126.081 126.081 120.931 5.150 19771 5495 1 23 . 1 1 446 446 PHE HA H 446 5.050 5.050 5.561 -0.511 19771 5496 1 23 . 1 1 446 446 PHE CA C 446 56.775 56.775 56.591 0.184 19771 5497 1 23 . 1 1 446 446 PHE CB C 446 41.731 41.731 43.347 -1.616 19771 5498 1 23 . 1 1 446 446 PHE H H 446 9.446 9.446 8.447 0.999 19771 5499 1 23 . 1 1 447 447 CYS N N 447 128.746 128.746 123.080 5.666 19771 5500 1 23 . 1 1 447 447 CYS HA H 447 4.874 4.874 4.983 -0.109 19771 5501 1 23 . 1 1 447 447 CYS CA C 447 58.263 58.263 56.899 1.364 19771 5502 1 23 . 1 1 447 447 CYS CB C 447 30.994 30.994 30.880 0.114 19771 5503 1 23 . 1 1 447 447 CYS H H 447 7.729 7.729 7.621 0.108 19771 5504 1 23 . 1 1 448 448 ARG N N 448 125.530 125.530 126.567 -1.037 19771 5505 1 23 . 1 1 448 448 ARG HA H 448 4.080 4.080 4.849 -0.769 19771 5506 1 23 . 1 1 448 448 ARG CA C 448 55.854 55.854 55.732 0.122 19771 5507 1 23 . 1 1 448 448 ARG CB C 448 31.200 31.200 30.545 0.655 19771 5508 1 23 . 1 1 448 448 ARG H H 448 8.783 8.783 8.823 -0.040 19771 5509 1 23 . 1 1 449 449 ASP N N 449 123.969 123.969 121.849 2.120 19771 5510 1 23 . 1 1 449 449 ASP HA H 449 4.155 4.155 4.715 -0.560 19771 5511 1 23 . 1 1 449 449 ASP CA C 449 56.118 56.118 52.877 3.241 19771 5512 1 23 . 1 1 449 449 ASP CB C 449 43.634 43.634 44.170 -0.536 19771 5513 1 23 . 1 1 449 449 ASP H H 449 8.117 8.117 8.583 -0.466 19771 5514 1 23 . 1 1 450 450 GLN N N 450 125.410 125.410 120.250 5.160 19771 5515 1 23 . 1 1 450 450 GLN HA H 450 3.832 3.832 4.256 -0.424 19771 5516 1 23 . 1 1 450 450 GLN CA C 450 59.127 59.127 57.585 1.542 19771 5517 1 23 . 1 1 450 450 GLN CB C 450 28.699 28.699 28.332 0.367 19771 5518 1 23 . 1 1 450 450 GLN H H 450 8.670 8.670 8.776 -0.106 19771 5519 1 23 . 1 1 451 451 VAL N N 451 113.164 113.164 113.320 -0.156 19771 5520 1 23 . 1 1 451 451 VAL HA H 451 4.240 4.240 4.262 -0.022 19771 5521 1 23 . 1 1 451 451 VAL CA C 451 63.199 63.199 62.148 1.051 19771 5522 1 23 . 1 1 451 451 VAL CB C 451 31.439 31.439 33.333 -1.894 19771 5523 1 23 . 1 1 451 451 VAL H H 451 8.591 8.591 7.767 0.824 19771 5524 1 23 . 1 1 452 452 CYS N N 452 120.986 120.986 117.066 3.920 19771 5525 1 23 . 1 1 452 452 CYS HA H 452 4.502 4.502 4.887 -0.385 19771 5526 1 23 . 1 1 452 452 CYS CA C 452 60.474 60.474 57.386 3.088 19771 5527 1 23 . 1 1 452 452 CYS CB C 452 31.715 31.715 30.390 1.325 19771 5528 1 23 . 1 1 452 452 CYS H H 452 7.963 7.963 7.374 0.589 19771 5529 1 23 . 1 1 453 453 PHE N N 453 129.406 129.406 122.362 7.044 19771 5530 1 23 . 1 1 453 453 PHE HA H 453 4.121 4.121 5.075 -0.954 19771 5531 1 23 . 1 1 453 453 PHE CA C 453 59.700 59.700 57.124 2.576 19771 5532 1 23 . 1 1 453 453 PHE CB C 453 38.328 38.328 39.408 -1.080 19771 5533 1 23 . 1 1 453 453 PHE H H 453 7.880 7.880 8.703 -0.823 19771 5534 1 23 . 1 1 454 454 LYS N N 454 113.628 113.628 118.243 -4.615 19771 5535 1 23 . 1 1 454 454 LYS HA H 454 4.423 4.423 4.131 0.292 19771 5536 1 23 . 1 1 454 454 LYS CA C 454 54.050 54.050 53.513 0.537 19771 5537 1 23 . 1 1 454 454 LYS CB C 454 37.833 37.833 35.459 2.374 19771 5538 1 23 . 1 1 454 454 LYS H H 454 6.384 6.384 7.391 -1.007 19771 5539 1 23 . 1 1 455 455 TYR N N 455 117.756 117.756 117.010 0.746 19771 5540 1 23 . 1 1 455 455 TYR HA H 455 5.111 5.111 5.180 -0.069 19771 5541 1 23 . 1 1 455 455 TYR CA C 455 58.616 58.616 58.753 -0.137 19771 5542 1 23 . 1 1 455 455 TYR CB C 455 39.956 39.956 39.824 0.132 19771 5543 1 23 . 1 1 455 455 TYR H H 455 7.100 7.100 8.395 -1.295 19771 5544 1 23 . 1 1 456 456 PHE N N 456 117.529 117.529 117.774 -0.245 19771 5545 1 23 . 1 1 456 456 PHE HA H 456 6.342 6.342 5.135 1.207 19771 5546 1 23 . 1 1 456 456 PHE CA C 456 57.017 57.017 56.825 0.192 19771 5547 1 23 . 1 1 456 456 PHE CB C 456 45.138 45.138 44.298 0.840 19771 5548 1 23 . 1 1 456 456 PHE H H 456 9.527 9.527 9.212 0.315 19771 5549 1 23 . 1 1 457 457 CYS N N 457 119.575 119.575 116.862 2.713 19771 5550 1 23 . 1 1 457 457 CYS HA H 457 5.435 5.435 5.276 0.159 19771 5551 1 23 . 1 1 457 457 CYS CA C 457 58.044 58.044 56.652 1.392 19771 5552 1 23 . 1 1 457 457 CYS CB C 457 32.277 32.277 31.318 0.959 19771 5553 1 23 . 1 1 457 457 CYS H H 457 9.710 9.710 8.978 0.732 19771 5554 1 23 . 1 1 458 458 ARG N N 458 120.479 120.479 120.821 -0.342 19771 5555 1 23 . 1 1 458 458 ARG HA H 458 3.750 3.750 3.824 -0.074 19771 5556 1 23 . 1 1 458 458 ARG CA C 458 60.863 60.863 60.283 0.580 19771 5557 1 23 . 1 1 458 458 ARG CB C 458 30.407 30.407 30.273 0.134 19771 5558 1 23 . 1 1 458 458 ARG H H 458 9.300 9.300 9.002 0.298 19771 5559 1 23 . 1 1 459 459 SER N N 459 114.502 114.502 114.382 0.120 19771 5560 1 23 . 1 1 459 459 SER HA H 459 4.424 4.424 4.049 0.375 19771 5561 1 23 . 1 1 459 459 SER CA C 459 62.116 62.116 61.861 0.255 19771 5562 1 23 . 1 1 459 459 SER CB C 459 62.828 62.828 62.981 -0.153 19771 5563 1 23 . 1 1 459 459 SER H H 459 8.482 8.482 8.117 0.365 19771 5564 1 23 . 1 1 460 460 CYS N N 460 126.957 126.957 117.497 9.460 19771 5565 1 23 . 1 1 460 460 CYS HA H 460 4.402 4.402 3.939 0.463 19771 5566 1 23 . 1 1 460 460 CYS CA C 460 65.041 65.041 58.582 6.459 19771 5567 1 23 . 1 1 460 460 CYS CB C 460 30.694 30.694 26.308 4.386 19771 5568 1 23 . 1 1 460 460 CYS H H 460 9.474 9.474 7.198 2.276 19771 5569 1 23 . 1 1 461 461 TRP N N 461 121.032 121.032 124.170 -3.138 19771 5570 1 23 . 1 1 461 461 TRP HA H 461 3.259 3.259 4.071 -0.812 19771 5571 1 23 . 1 1 461 461 TRP CA C 461 62.794 62.794 61.044 1.750 19771 5572 1 23 . 1 1 461 461 TRP CB C 461 27.672 27.672 28.873 -1.201 19771 5573 1 23 . 1 1 461 461 TRP H H 461 9.553 9.553 8.631 0.922 19771 5574 1 23 . 1 1 462 462 HIS N N 462 119.358 119.358 114.560 4.798 19771 5575 1 23 . 1 1 462 462 HIS HA H 462 4.280 4.280 4.557 -0.277 19771 5576 1 23 . 1 1 462 462 HIS CA C 462 59.828 59.828 58.825 1.002 19771 5577 1 23 . 1 1 462 462 HIS CB C 462 30.330 30.330 29.342 0.988 19771 5578 1 23 . 1 1 462 462 HIS H H 462 8.007 8.007 7.497 0.510 19771 5579 1 23 . 1 1 463 463 TRP N N 463 121.005 121.005 119.165 1.840 19771 5580 1 23 . 1 1 463 463 TRP HA H 463 4.179 4.179 4.590 -0.411 19771 5581 1 23 . 1 1 463 463 TRP CA C 463 60.915 60.915 59.062 1.853 19771 5582 1 23 . 1 1 463 463 TRP CB C 463 28.556 28.556 28.800 -0.244 19771 5583 1 23 . 1 1 463 463 TRP H H 463 8.146 8.146 7.560 0.586 19771 5584 1 23 . 1 1 464 464 ARG N N 464 117.937 117.937 117.129 0.808 19771 5585 1 23 . 1 1 464 464 ARG HA H 464 3.160 3.160 4.268 -1.108 19771 5586 1 23 . 1 1 464 464 ARG CA C 464 57.153 57.153 55.950 1.203 19771 5587 1 23 . 1 1 464 464 ARG CB C 464 29.998 29.998 31.035 -1.037 19771 5588 1 23 . 1 1 464 464 ARG H H 464 8.136 8.136 7.371 0.765 19771 5589 1 23 . 1 1 465 465 HIS N N 465 109.139 109.139 117.599 -8.460 19771 5590 1 23 . 1 1 465 465 HIS HA H 465 3.729 3.729 4.380 -0.651 19771 5591 1 23 . 1 1 465 465 HIS CA C 465 58.797 58.797 56.592 2.205 19771 5592 1 23 . 1 1 465 465 HIS CB C 465 25.377 25.377 29.519 -4.142 19771 5593 1 23 . 1 1 465 465 HIS H H 465 7.359 7.359 8.269 -0.910 19771 5594 1 23 . 1 1 466 466 SER N N 466 112.123 112.123 114.959 -2.836 19771 5595 1 23 . 1 1 466 466 SER HA H 466 4.273 4.273 4.490 -0.217 19771 5596 1 23 . 1 1 466 466 SER CA C 466 58.999 58.999 58.053 0.946 19771 5597 1 23 . 1 1 466 466 SER CB C 466 63.431 63.431 62.592 0.839 19771 5598 1 23 . 1 1 466 466 SER H H 466 6.897 6.897 8.172 -1.275 19771 5599 1 23 . 1 1 467 467 MET N N 467 121.282 121.282 118.494 2.788 19771 5600 1 23 . 1 1 467 467 MET HA H 467 4.133 4.133 4.938 -0.805 19771 5601 1 23 . 1 1 467 467 MET CA C 467 55.435 55.435 54.274 1.161 19771 5602 1 23 . 1 1 467 467 MET CB C 467 33.206 33.206 34.943 -1.737 19771 5603 1 23 . 1 1 467 467 MET H H 467 6.766 6.766 7.222 -0.456 19771 5604 1 23 . 1 1 468 468 GLU N N 468 122.864 122.864 121.053 1.811 19771 5605 1 23 . 1 1 468 468 GLU HA H 468 3.754 3.754 4.148 -0.394 19771 5606 1 23 . 1 1 468 468 GLU CA C 468 58.708 58.708 58.478 0.230 19771 5607 1 23 . 1 1 468 468 GLU CB C 468 29.457 29.457 28.941 0.516 19771 5608 1 23 . 1 1 468 468 GLU H H 468 8.455 8.455 8.921 -0.466 19771 5609 1 23 . 1 1 469 469 GLY N N 469 112.643 112.643 104.359 8.284 19771 5610 1 23 . 1 1 469 469 GLY CA C 469 45.398 45.398 45.623 -0.225 19771 5611 1 23 . 1 1 469 469 GLY H H 469 8.893 8.893 7.893 1.000 19771 5612 1 23 . 1 1 470 470 LEU N N 470 118.167 118.167 117.048 1.119 19771 5613 1 23 . 1 1 470 470 LEU HA H 470 3.862 3.862 3.991 -0.129 19771 5614 1 23 . 1 1 470 470 LEU CA C 470 54.284 54.284 54.184 0.100 19771 5615 1 23 . 1 1 470 470 LEU CB C 470 42.923 42.923 42.470 0.453 19771 5616 1 23 . 1 1 470 470 LEU H H 470 7.642 7.642 7.553 0.089 19771 5617 1 23 . 1 1 471 471 ARG N N 471 115.958 115.958 120.117 -4.159 19771 5618 1 23 . 1 1 471 471 ARG HA H 471 4.328 4.328 4.280 0.048 19771 5619 1 23 . 1 1 471 471 ARG CA C 471 58.357 58.357 57.812 0.545 19771 5620 1 23 . 1 1 471 471 ARG CB C 471 30.183 30.183 29.882 0.301 19771 5621 1 23 . 1 1 471 471 ARG H H 471 7.256 7.256 7.688 -0.432 19771 5622 1 23 . 1 1 472 472 HIS N N 472 113.710 113.710 113.512 0.198 19771 5623 1 23 . 1 1 472 472 HIS HA H 472 4.635 4.635 4.729 -0.094 19771 5624 1 23 . 1 1 472 472 HIS CA C 472 56.199 56.199 55.015 1.184 19771 5625 1 23 . 1 1 472 472 HIS CB C 472 30.157 30.157 29.216 0.941 19771 5626 1 23 . 1 1 472 472 HIS H H 472 8.410 8.410 7.961 0.449 19771 5627 1 23 . 1 1 473 473 HIS N N 473 122.456 122.456 121.007 1.449 19771 5628 1 23 . 1 1 473 473 HIS HA H 473 4.418 4.418 4.489 -0.071 19771 5629 1 23 . 1 1 473 473 HIS CA C 473 55.485 55.485 56.406 -0.921 19771 5630 1 23 . 1 1 473 473 HIS CB C 473 31.291 31.291 30.682 0.609 19771 5631 1 23 . 1 1 473 473 HIS H H 473 6.899 6.899 7.307 -0.408 19771 5632 1 23 . 1 1 474 474 SER N N 474 117.590 117.590 115.981 1.609 19771 5633 1 23 . 1 1 474 474 SER HA H 474 5.065 5.065 4.922 0.143 19771 5634 1 23 . 1 1 474 474 SER CA C 474 55.164 55.164 56.308 -1.144 19771 5635 1 23 . 1 1 474 474 SER CB C 474 64.749 64.749 65.236 -0.487 19771 5636 1 23 . 1 1 474 474 SER H H 474 8.600 8.600 8.617 -0.017 19771 5637 1 23 . 1 1 475 475 PRO HA H 475 4.258 4.258 4.279 -0.021 19771 5638 1 23 . 1 1 475 475 PRO CA C 475 62.975 62.975 62.394 0.581 19771 5639 1 23 . 1 1 475 475 PRO CB C 475 31.696 31.696 32.084 -0.388 19771 5640 1 23 . 1 1 476 476 LEU N N 476 123.672 123.672 121.860 1.812 19771 5641 1 23 . 1 1 476 476 LEU CB C 476 44.146 44.146 46.096 -1.950 19771 5642 1 23 . 1 1 476 476 LEU H H 476 8.843 8.843 8.193 0.650 19771 5643 1 23 . 1 1 477 477 MET N N 477 122.428 122.428 119.534 2.894 19771 5644 1 23 . 1 1 477 477 MET HA H 477 4.918 4.918 4.826 0.092 19771 5645 1 23 . 1 1 477 477 MET CA C 477 54.604 54.604 54.133 0.471 19771 5646 1 23 . 1 1 477 477 MET CB C 477 34.225 34.225 35.209 -0.984 19771 5647 1 23 . 1 1 477 477 MET H H 477 8.564 8.564 8.167 0.397 19771 5648 1 23 . 1 1 478 478 ARG N N 478 123.419 123.419 120.706 2.713 19771 5649 1 23 . 1 1 478 478 ARG CB C 478 32.024 32.024 30.776 1.248 19771 5650 1 23 . 1 1 478 478 ARG H H 478 8.825 8.825 8.556 0.269 19771 5651 1 23 . 1 1 481 481 LYS N N 481 122.000 122.000 118.104 3.896 19771 5652 1 23 . 1 1 481 481 LYS H H 481 8.284 8.284 7.966 0.318 19771 5653 1 23 . 1 1 482 482 ASN N N 482 119.466 119.466 118.120 1.346 19771 5654 1 23 . 1 1 482 482 ASN H H 482 8.379 8.379 8.591 -0.212 19771 5655 1 23 . 1 1 483 483 ARG N N 483 121.400 121.400 119.967 1.433 19771 5656 1 23 . 1 1 483 483 ARG H H 483 8.302 8.302 8.663 -0.361 19771 5657 1 23 . 1 1 485 485 SER N N 485 115.800 115.800 115.530 0.270 19771 5658 1 23 . 1 1 485 485 SER H H 485 8.112 8.112 7.869 0.243 19771 5659 1 24 . 1 1 427 427 ASP N N 427 125.779 125.779 121.997 3.782 19771 5660 1 24 . 1 1 427 427 ASP HA H 427 4.829 4.829 5.184 -0.355 19771 5661 1 24 . 1 1 427 427 ASP CA C 427 52.150 52.150 53.229 -1.079 19771 5662 1 24 . 1 1 427 427 ASP CB C 427 41.537 41.537 43.334 -1.797 19771 5663 1 24 . 1 1 427 427 ASP H H 427 8.293 8.293 8.878 -0.585 19771 5664 1 24 . 1 1 428 428 PRO HA H 428 4.229 4.229 4.489 -0.260 19771 5665 1 24 . 1 1 428 428 PRO CA C 428 63.337 63.337 63.424 -0.087 19771 5666 1 24 . 1 1 428 428 PRO CB C 428 32.019 32.019 31.946 0.073 19771 5667 1 24 . 1 1 429 429 TYR N N 429 119.152 119.152 118.482 0.670 19771 5668 1 24 . 1 1 429 429 TYR HA H 429 4.421 4.421 4.824 -0.403 19771 5669 1 24 . 1 1 429 429 TYR CA C 429 57.961 57.961 57.113 0.848 19771 5670 1 24 . 1 1 429 429 TYR CB C 429 37.968 37.968 39.778 -1.810 19771 5671 1 24 . 1 1 429 429 TYR H H 429 8.136 8.136 7.723 0.413 19771 5672 1 24 . 1 1 430 430 LEU N N 430 122.733 122.733 121.430 1.303 19771 5673 1 24 . 1 1 430 430 LEU HA H 430 4.205 4.205 4.683 -0.478 19771 5674 1 24 . 1 1 430 430 LEU CA C 430 54.950 54.950 54.507 0.443 19771 5675 1 24 . 1 1 430 430 LEU CB C 430 42.474 42.474 44.784 -2.310 19771 5676 1 24 . 1 1 430 430 LEU H H 430 7.596 7.596 8.342 -0.746 19771 5677 1 24 . 1 1 431 431 GLU N N 431 120.614 120.614 119.407 1.207 19771 5678 1 24 . 1 1 431 431 GLU H H 431 8.157 8.157 8.592 -0.435 19771 5679 1 24 . 1 1 432 432 ASP HA H 432 4.387 4.387 4.456 -0.069 19771 5680 1 24 . 1 1 432 432 ASP CA C 432 54.365 54.365 55.458 -1.093 19771 5681 1 24 . 1 1 432 432 ASP CB C 432 41.027 41.027 39.803 1.224 19771 5682 1 24 . 1 1 433 433 SER N N 433 116.511 116.511 110.737 5.774 19771 5683 1 24 . 1 1 433 433 SER HA H 433 4.222 4.222 4.505 -0.283 19771 5684 1 24 . 1 1 433 433 SER CA C 433 57.811 57.811 58.358 -0.547 19771 5685 1 24 . 1 1 433 433 SER CB C 433 64.342 64.342 64.200 0.143 19771 5686 1 24 . 1 1 433 433 SER H H 433 7.926 7.926 7.880 0.046 19771 5687 1 24 . 1 1 434 434 LEU N N 434 124.239 124.239 122.135 2.104 19771 5688 1 24 . 1 1 434 434 LEU HA H 434 4.301 4.301 4.537 -0.236 19771 5689 1 24 . 1 1 434 434 LEU CA C 434 54.780 54.780 53.513 1.267 19771 5690 1 24 . 1 1 434 434 LEU CB C 434 43.682 43.682 42.105 1.577 19771 5691 1 24 . 1 1 434 434 LEU H H 434 8.161 8.161 7.561 0.600 19771 5692 1 24 . 1 1 435 435 CYS N N 435 121.658 121.658 119.465 2.193 19771 5693 1 24 . 1 1 435 435 CYS HA H 435 3.767 3.767 4.324 -0.557 19771 5694 1 24 . 1 1 435 435 CYS CA C 435 60.505 60.505 59.808 0.697 19771 5695 1 24 . 1 1 435 435 CYS CB C 435 31.833 31.833 27.333 4.500 19771 5696 1 24 . 1 1 435 435 CYS H H 435 8.341 8.341 8.255 0.086 19771 5697 1 24 . 1 1 436 436 HIS N N 436 129.654 129.654 129.159 0.495 19771 5698 1 24 . 1 1 436 436 HIS HA H 436 4.436 4.436 4.364 0.072 19771 5699 1 24 . 1 1 436 436 HIS CA C 436 58.775 58.775 58.313 0.462 19771 5700 1 24 . 1 1 436 436 HIS CB C 436 32.431 32.431 29.855 2.576 19771 5701 1 24 . 1 1 436 436 HIS H H 436 9.087 9.087 8.808 0.279 19771 5702 1 24 . 1 1 437 437 ILE N N 437 121.647 121.647 117.023 4.624 19771 5703 1 24 . 1 1 437 437 ILE HA H 437 4.122 4.122 4.189 -0.067 19771 5704 1 24 . 1 1 437 437 ILE CA C 437 61.632 61.632 62.095 -0.463 19771 5705 1 24 . 1 1 437 437 ILE CB C 437 35.149 35.149 39.667 -4.518 19771 5706 1 24 . 1 1 437 437 ILE H H 437 9.294 9.294 7.766 1.528 19771 5707 1 24 . 1 1 438 438 CYS N N 438 118.756 118.756 118.896 -0.140 19771 5708 1 24 . 1 1 438 438 CYS HA H 438 4.719 4.719 4.745 -0.026 19771 5709 1 24 . 1 1 438 438 CYS CB C 438 31.931 31.931 28.345 3.586 19771 5710 1 24 . 1 1 438 438 CYS H H 438 8.503 8.503 7.892 0.611 19771 5711 1 24 . 1 1 439 439 SER N N 439 116.341 116.341 116.159 0.182 19771 5712 1 24 . 1 1 439 439 SER HA H 439 4.348 4.348 4.149 0.199 19771 5713 1 24 . 1 1 439 439 SER CA C 439 60.131 60.131 59.604 0.527 19771 5714 1 24 . 1 1 439 439 SER CB C 439 62.642 62.642 61.690 0.952 19771 5715 1 24 . 1 1 439 439 SER H H 439 7.561 7.561 8.129 -0.568 19771 5716 1 24 . 1 1 440 440 SER N N 440 113.455 113.455 113.603 -0.148 19771 5717 1 24 . 1 1 440 440 SER HA H 440 4.777 4.777 4.467 0.310 19771 5718 1 24 . 1 1 440 440 SER CA C 440 58.703 58.703 58.318 0.385 19771 5719 1 24 . 1 1 440 440 SER CB C 440 65.681 65.681 63.613 2.068 19771 5720 1 24 . 1 1 440 440 SER H H 440 8.272 8.272 8.100 0.172 19771 5721 1 24 . 1 1 441 441 GLN N N 441 118.674 118.674 120.221 -1.547 19771 5722 1 24 . 1 1 441 441 GLN HA H 441 4.865 4.865 4.699 0.166 19771 5723 1 24 . 1 1 441 441 GLN CA C 441 52.802 52.802 53.583 -0.781 19771 5724 1 24 . 1 1 441 441 GLN CB C 441 30.560 30.560 29.544 1.016 19771 5725 1 24 . 1 1 441 441 GLN H H 441 7.355 7.355 7.879 -0.524 19771 5726 1 24 . 1 1 442 442 PRO HA H 442 4.349 4.349 4.380 -0.031 19771 5727 1 24 . 1 1 442 442 PRO CA C 442 63.693 63.693 63.080 0.613 19771 5728 1 24 . 1 1 442 442 PRO CB C 442 32.549 32.549 31.899 0.649 19771 5729 1 24 . 1 1 443 443 GLY N N 443 110.126 110.126 107.583 2.543 19771 5730 1 24 . 1 1 443 443 GLY CA C 443 46.097 46.097 44.357 1.740 19771 5731 1 24 . 1 1 443 443 GLY H H 443 8.819 8.819 7.548 1.271 19771 5732 1 24 . 1 1 444 444 PRO HA H 444 4.387 4.387 4.217 0.170 19771 5733 1 24 . 1 1 444 444 PRO CA C 444 63.025 63.025 63.741 -0.716 19771 5734 1 24 . 1 1 444 444 PRO CB C 444 32.737 32.737 31.990 0.747 19771 5735 1 24 . 1 1 445 445 PHE N N 445 116.262 116.262 116.096 0.166 19771 5736 1 24 . 1 1 445 445 PHE HA H 445 4.962 4.962 5.332 -0.370 19771 5737 1 24 . 1 1 445 445 PHE CA C 445 56.014 56.014 56.257 -0.243 19771 5738 1 24 . 1 1 445 445 PHE CB C 445 40.028 40.028 42.863 -2.835 19771 5739 1 24 . 1 1 445 445 PHE H H 445 8.066 8.066 7.746 0.320 19771 5740 1 24 . 1 1 446 446 PHE N N 446 126.081 126.081 121.014 5.067 19771 5741 1 24 . 1 1 446 446 PHE HA H 446 5.050 5.050 5.340 -0.290 19771 5742 1 24 . 1 1 446 446 PHE CA C 446 56.775 56.775 56.558 0.217 19771 5743 1 24 . 1 1 446 446 PHE CB C 446 41.731 41.731 43.303 -1.572 19771 5744 1 24 . 1 1 446 446 PHE H H 446 9.446 9.446 8.991 0.455 19771 5745 1 24 . 1 1 447 447 CYS N N 447 128.746 128.746 125.753 2.993 19771 5746 1 24 . 1 1 447 447 CYS HA H 447 4.874 4.874 4.973 -0.099 19771 5747 1 24 . 1 1 447 447 CYS CA C 447 58.263 58.263 57.098 1.165 19771 5748 1 24 . 1 1 447 447 CYS CB C 447 30.994 30.994 29.927 1.067 19771 5749 1 24 . 1 1 447 447 CYS H H 447 7.729 7.729 7.937 -0.208 19771 5750 1 24 . 1 1 448 448 ARG N N 448 125.530 125.530 128.616 -3.086 19771 5751 1 24 . 1 1 448 448 ARG HA H 448 4.080 4.080 4.936 -0.856 19771 5752 1 24 . 1 1 448 448 ARG CA C 448 55.854 55.854 55.367 0.486 19771 5753 1 24 . 1 1 448 448 ARG CB C 448 31.200 31.200 31.178 0.022 19771 5754 1 24 . 1 1 448 448 ARG H H 448 8.783 8.783 8.726 0.057 19771 5755 1 24 . 1 1 449 449 ASP N N 449 123.969 123.969 123.408 0.561 19771 5756 1 24 . 1 1 449 449 ASP HA H 449 4.155 4.155 4.787 -0.632 19771 5757 1 24 . 1 1 449 449 ASP CA C 449 56.118 56.118 52.722 3.396 19771 5758 1 24 . 1 1 449 449 ASP CB C 449 43.634 43.634 44.047 -0.413 19771 5759 1 24 . 1 1 449 449 ASP H H 449 8.117 8.117 8.348 -0.231 19771 5760 1 24 . 1 1 450 450 GLN N N 450 125.410 125.410 120.033 5.377 19771 5761 1 24 . 1 1 450 450 GLN HA H 450 3.832 3.832 4.171 -0.339 19771 5762 1 24 . 1 1 450 450 GLN CA C 450 59.127 59.127 58.256 0.871 19771 5763 1 24 . 1 1 450 450 GLN CB C 450 28.699 28.699 29.061 -0.362 19771 5764 1 24 . 1 1 450 450 GLN H H 450 8.670 8.670 8.843 -0.173 19771 5765 1 24 . 1 1 451 451 VAL N N 451 113.164 113.164 110.149 3.015 19771 5766 1 24 . 1 1 451 451 VAL HA H 451 4.240 4.240 4.268 -0.028 19771 5767 1 24 . 1 1 451 451 VAL CA C 451 63.199 63.199 62.167 1.032 19771 5768 1 24 . 1 1 451 451 VAL CB C 451 31.439 31.439 33.516 -2.076 19771 5769 1 24 . 1 1 451 451 VAL H H 451 8.591 8.591 7.641 0.950 19771 5770 1 24 . 1 1 452 452 CYS N N 452 120.986 120.986 119.838 1.148 19771 5771 1 24 . 1 1 452 452 CYS HA H 452 4.502 4.502 4.849 -0.347 19771 5772 1 24 . 1 1 452 452 CYS CA C 452 60.474 60.474 58.887 1.587 19771 5773 1 24 . 1 1 452 452 CYS CB C 452 31.715 31.715 29.429 2.286 19771 5774 1 24 . 1 1 452 452 CYS H H 452 7.963 7.963 7.397 0.566 19771 5775 1 24 . 1 1 453 453 PHE N N 453 129.406 129.406 124.150 5.256 19771 5776 1 24 . 1 1 453 453 PHE HA H 453 4.121 4.121 4.784 -0.663 19771 5777 1 24 . 1 1 453 453 PHE CA C 453 59.700 59.700 57.830 1.870 19771 5778 1 24 . 1 1 453 453 PHE CB C 453 38.328 38.328 39.664 -1.336 19771 5779 1 24 . 1 1 453 453 PHE H H 453 7.880 7.880 8.813 -0.933 19771 5780 1 24 . 1 1 454 454 LYS N N 454 113.628 113.628 118.177 -4.549 19771 5781 1 24 . 1 1 454 454 LYS HA H 454 4.423 4.423 4.351 0.072 19771 5782 1 24 . 1 1 454 454 LYS CA C 454 54.050 54.050 53.877 0.173 19771 5783 1 24 . 1 1 454 454 LYS CB C 454 37.833 37.833 36.684 1.149 19771 5784 1 24 . 1 1 454 454 LYS H H 454 6.384 6.384 7.193 -0.809 19771 5785 1 24 . 1 1 455 455 TYR N N 455 117.756 117.756 117.040 0.716 19771 5786 1 24 . 1 1 455 455 TYR HA H 455 5.111 5.111 4.940 0.171 19771 5787 1 24 . 1 1 455 455 TYR CA C 455 58.616 58.616 59.119 -0.503 19771 5788 1 24 . 1 1 455 455 TYR CB C 455 39.956 39.956 39.682 0.274 19771 5789 1 24 . 1 1 455 455 TYR H H 455 7.100 7.100 8.638 -1.538 19771 5790 1 24 . 1 1 456 456 PHE N N 456 117.529 117.529 116.956 0.573 19771 5791 1 24 . 1 1 456 456 PHE HA H 456 6.342 6.342 5.129 1.213 19771 5792 1 24 . 1 1 456 456 PHE CA C 456 57.017 57.017 56.905 0.112 19771 5793 1 24 . 1 1 456 456 PHE CB C 456 45.138 45.138 44.390 0.748 19771 5794 1 24 . 1 1 456 456 PHE H H 456 9.527 9.527 9.075 0.452 19771 5795 1 24 . 1 1 457 457 CYS N N 457 119.575 119.575 116.551 3.024 19771 5796 1 24 . 1 1 457 457 CYS HA H 457 5.435 5.435 5.283 0.152 19771 5797 1 24 . 1 1 457 457 CYS CA C 457 58.044 58.044 56.781 1.263 19771 5798 1 24 . 1 1 457 457 CYS CB C 457 32.277 32.277 31.368 0.909 19771 5799 1 24 . 1 1 457 457 CYS H H 457 9.710 9.710 8.957 0.753 19771 5800 1 24 . 1 1 458 458 ARG N N 458 120.479 120.479 120.891 -0.412 19771 5801 1 24 . 1 1 458 458 ARG HA H 458 3.750 3.750 3.902 -0.152 19771 5802 1 24 . 1 1 458 458 ARG CA C 458 60.863 60.863 59.782 1.081 19771 5803 1 24 . 1 1 458 458 ARG CB C 458 30.407 30.407 30.051 0.356 19771 5804 1 24 . 1 1 458 458 ARG H H 458 9.300 9.300 8.976 0.324 19771 5805 1 24 . 1 1 459 459 SER N N 459 114.502 114.502 113.603 0.899 19771 5806 1 24 . 1 1 459 459 SER HA H 459 4.424 4.424 3.930 0.494 19771 5807 1 24 . 1 1 459 459 SER CA C 459 62.116 62.116 61.027 1.089 19771 5808 1 24 . 1 1 459 459 SER CB C 459 62.828 62.828 62.917 -0.089 19771 5809 1 24 . 1 1 459 459 SER H H 459 8.482 8.482 8.373 0.109 19771 5810 1 24 . 1 1 460 460 CYS N N 460 126.957 126.957 116.695 10.262 19771 5811 1 24 . 1 1 460 460 CYS HA H 460 4.402 4.402 4.292 0.110 19771 5812 1 24 . 1 1 460 460 CYS CA C 460 65.041 65.041 58.158 6.883 19771 5813 1 24 . 1 1 460 460 CYS CB C 460 30.694 30.694 26.685 4.009 19771 5814 1 24 . 1 1 460 460 CYS H H 460 9.474 9.474 7.507 1.967 19771 5815 1 24 . 1 1 461 461 TRP N N 461 121.032 121.032 123.889 -2.857 19771 5816 1 24 . 1 1 461 461 TRP HA H 461 3.259 3.259 4.048 -0.789 19771 5817 1 24 . 1 1 461 461 TRP CA C 461 62.794 62.794 60.690 2.104 19771 5818 1 24 . 1 1 461 461 TRP CB C 461 27.672 27.672 28.840 -1.168 19771 5819 1 24 . 1 1 461 461 TRP H H 461 9.553 9.553 8.529 1.024 19771 5820 1 24 . 1 1 462 462 HIS N N 462 119.358 119.358 114.642 4.716 19771 5821 1 24 . 1 1 462 462 HIS HA H 462 4.280 4.280 4.509 -0.229 19771 5822 1 24 . 1 1 462 462 HIS CA C 462 59.828 59.828 59.373 0.455 19771 5823 1 24 . 1 1 462 462 HIS CB C 462 30.330 30.330 29.714 0.616 19771 5824 1 24 . 1 1 462 462 HIS H H 462 8.007 8.007 7.343 0.664 19771 5825 1 24 . 1 1 463 463 TRP N N 463 121.005 121.005 118.469 2.536 19771 5826 1 24 . 1 1 463 463 TRP HA H 463 4.179 4.179 4.583 -0.404 19771 5827 1 24 . 1 1 463 463 TRP CA C 463 60.915 60.915 59.032 1.883 19771 5828 1 24 . 1 1 463 463 TRP CB C 463 28.556 28.556 28.524 0.032 19771 5829 1 24 . 1 1 463 463 TRP H H 463 8.146 8.146 7.503 0.643 19771 5830 1 24 . 1 1 464 464 ARG N N 464 117.937 117.937 114.606 3.331 19771 5831 1 24 . 1 1 464 464 ARG HA H 464 3.160 3.160 4.271 -1.111 19771 5832 1 24 . 1 1 464 464 ARG CA C 464 57.153 57.153 55.459 1.694 19771 5833 1 24 . 1 1 464 464 ARG CB C 464 29.998 29.998 30.522 -0.524 19771 5834 1 24 . 1 1 464 464 ARG H H 464 8.136 8.136 7.198 0.938 19771 5835 1 24 . 1 1 465 465 HIS N N 465 109.139 109.139 115.805 -6.666 19771 5836 1 24 . 1 1 465 465 HIS HA H 465 3.729 3.729 4.547 -0.818 19771 5837 1 24 . 1 1 465 465 HIS CA C 465 58.797 58.797 55.503 3.294 19771 5838 1 24 . 1 1 465 465 HIS CB C 465 25.377 25.377 30.924 -5.547 19771 5839 1 24 . 1 1 465 465 HIS H H 465 7.359 7.359 7.568 -0.209 19771 5840 1 24 . 1 1 466 466 SER N N 466 112.123 112.123 116.734 -4.611 19771 5841 1 24 . 1 1 466 466 SER HA H 466 4.273 4.273 4.367 -0.094 19771 5842 1 24 . 1 1 466 466 SER CA C 466 58.999 58.999 60.261 -1.262 19771 5843 1 24 . 1 1 466 466 SER CB C 466 63.431 63.431 63.451 -0.020 19771 5844 1 24 . 1 1 466 466 SER H H 466 6.897 6.897 7.958 -1.061 19771 5845 1 24 . 1 1 467 467 MET N N 467 121.282 121.282 118.176 3.106 19771 5846 1 24 . 1 1 467 467 MET HA H 467 4.133 4.133 4.833 -0.700 19771 5847 1 24 . 1 1 467 467 MET CA C 467 55.435 55.435 54.165 1.270 19771 5848 1 24 . 1 1 467 467 MET CB C 467 33.206 33.206 33.516 -0.310 19771 5849 1 24 . 1 1 467 467 MET H H 467 6.766 6.766 7.669 -0.903 19771 5850 1 24 . 1 1 468 468 GLU N N 468 122.864 122.864 119.839 3.025 19771 5851 1 24 . 1 1 468 468 GLU HA H 468 3.754 3.754 4.115 -0.361 19771 5852 1 24 . 1 1 468 468 GLU CA C 468 58.708 58.708 57.776 0.931 19771 5853 1 24 . 1 1 468 468 GLU CB C 468 29.457 29.457 28.824 0.633 19771 5854 1 24 . 1 1 468 468 GLU H H 468 8.455 8.455 8.872 -0.417 19771 5855 1 24 . 1 1 469 469 GLY N N 469 112.643 112.643 107.286 5.357 19771 5856 1 24 . 1 1 469 469 GLY CA C 469 45.398 45.398 45.869 -0.471 19771 5857 1 24 . 1 1 469 469 GLY H H 469 8.893 8.893 7.945 0.948 19771 5858 1 24 . 1 1 470 470 LEU N N 470 118.167 118.167 118.778 -0.611 19771 5859 1 24 . 1 1 470 470 LEU HA H 470 3.862 3.862 4.481 -0.619 19771 5860 1 24 . 1 1 470 470 LEU CA C 470 54.284 54.284 53.617 0.667 19771 5861 1 24 . 1 1 470 470 LEU CB C 470 42.923 42.923 42.244 0.679 19771 5862 1 24 . 1 1 470 470 LEU H H 470 7.642 7.642 7.315 0.327 19771 5863 1 24 . 1 1 471 471 ARG N N 471 115.958 115.958 118.495 -2.537 19771 5864 1 24 . 1 1 471 471 ARG HA H 471 4.328 4.328 4.068 0.260 19771 5865 1 24 . 1 1 471 471 ARG CA C 471 58.357 58.357 57.678 0.679 19771 5866 1 24 . 1 1 471 471 ARG CB C 471 30.183 30.183 29.440 0.743 19771 5867 1 24 . 1 1 471 471 ARG H H 471 7.256 7.256 8.166 -0.910 19771 5868 1 24 . 1 1 472 472 HIS N N 472 113.710 113.710 113.821 -0.111 19771 5869 1 24 . 1 1 472 472 HIS HA H 472 4.635 4.635 4.617 0.018 19771 5870 1 24 . 1 1 472 472 HIS CA C 472 56.199 56.199 55.707 0.492 19771 5871 1 24 . 1 1 472 472 HIS CB C 472 30.157 30.157 29.466 0.691 19771 5872 1 24 . 1 1 472 472 HIS H H 472 8.410 8.410 7.899 0.511 19771 5873 1 24 . 1 1 473 473 HIS N N 473 122.456 122.456 121.756 0.700 19771 5874 1 24 . 1 1 473 473 HIS HA H 473 4.418 4.418 4.364 0.054 19771 5875 1 24 . 1 1 473 473 HIS CA C 473 55.485 55.485 55.939 -0.454 19771 5876 1 24 . 1 1 473 473 HIS CB C 473 31.291 31.291 30.205 1.086 19771 5877 1 24 . 1 1 473 473 HIS H H 473 6.899 6.899 7.172 -0.273 19771 5878 1 24 . 1 1 474 474 SER N N 474 117.590 117.590 116.447 1.143 19771 5879 1 24 . 1 1 474 474 SER HA H 474 5.065 5.065 4.860 0.205 19771 5880 1 24 . 1 1 474 474 SER CA C 474 55.164 55.164 56.205 -1.041 19771 5881 1 24 . 1 1 474 474 SER CB C 474 64.749 64.749 65.695 -0.946 19771 5882 1 24 . 1 1 474 474 SER H H 474 8.600 8.600 8.283 0.317 19771 5883 1 24 . 1 1 475 475 PRO HA H 475 4.258 4.258 4.299 -0.041 19771 5884 1 24 . 1 1 475 475 PRO CA C 475 62.975 62.975 62.790 0.185 19771 5885 1 24 . 1 1 475 475 PRO CB C 475 31.696 31.696 31.687 0.009 19771 5886 1 24 . 1 1 476 476 LEU N N 476 123.672 123.672 124.152 -0.480 19771 5887 1 24 . 1 1 476 476 LEU CB C 476 44.146 44.146 45.276 -1.130 19771 5888 1 24 . 1 1 476 476 LEU H H 476 8.843 8.843 8.986 -0.143 19771 5889 1 24 . 1 1 477 477 MET N N 477 122.428 122.428 119.170 3.258 19771 5890 1 24 . 1 1 477 477 MET HA H 477 4.918 4.918 4.858 0.060 19771 5891 1 24 . 1 1 477 477 MET CA C 477 54.604 54.604 54.667 -0.063 19771 5892 1 24 . 1 1 477 477 MET CB C 477 34.225 34.225 35.377 -1.152 19771 5893 1 24 . 1 1 477 477 MET H H 477 8.564 8.564 8.396 0.168 19771 5894 1 24 . 1 1 478 478 ARG N N 478 123.419 123.419 121.537 1.882 19771 5895 1 24 . 1 1 478 478 ARG CB C 478 32.024 32.024 32.868 -0.844 19771 5896 1 24 . 1 1 478 478 ARG H H 478 8.825 8.825 8.548 0.277 19771 5897 1 24 . 1 1 481 481 LYS N N 481 122.000 122.000 114.980 7.020 19771 5898 1 24 . 1 1 481 481 LYS H H 481 8.284 8.284 7.500 0.784 19771 5899 1 24 . 1 1 482 482 ASN N N 482 119.466 119.466 118.047 1.419 19771 5900 1 24 . 1 1 482 482 ASN H H 482 8.379 8.379 8.653 -0.274 19771 5901 1 24 . 1 1 483 483 ARG N N 483 121.400 121.400 120.141 1.259 19771 5902 1 24 . 1 1 483 483 ARG H H 483 8.302 8.302 8.505 -0.203 19771 5903 1 24 . 1 1 485 485 SER N N 485 115.800 115.800 114.143 1.657 19771 5904 1 24 . 1 1 485 485 SER H H 485 8.112 8.112 7.485 0.627 19771 5905 1 25 . 1 1 427 427 ASP N N 427 125.779 125.779 123.150 2.629 19771 5906 1 25 . 1 1 427 427 ASP HA H 427 4.829 4.829 5.027 -0.198 19771 5907 1 25 . 1 1 427 427 ASP CA C 427 52.150 52.150 53.000 -0.850 19771 5908 1 25 . 1 1 427 427 ASP CB C 427 41.537 41.537 44.278 -2.741 19771 5909 1 25 . 1 1 427 427 ASP H H 427 8.293 8.293 9.048 -0.755 19771 5910 1 25 . 1 1 428 428 PRO HA H 428 4.229 4.229 4.406 -0.177 19771 5911 1 25 . 1 1 428 428 PRO CA C 428 63.337 63.337 63.145 0.192 19771 5912 1 25 . 1 1 428 428 PRO CB C 428 32.019 32.019 32.072 -0.053 19771 5913 1 25 . 1 1 429 429 TYR N N 429 119.152 119.152 117.475 1.677 19771 5914 1 25 . 1 1 429 429 TYR HA H 429 4.421 4.421 4.104 0.317 19771 5915 1 25 . 1 1 429 429 TYR CA C 429 57.961 57.961 58.824 -0.863 19771 5916 1 25 . 1 1 429 429 TYR CB C 429 37.968 37.968 36.418 1.550 19771 5917 1 25 . 1 1 429 429 TYR H H 429 8.136 8.136 8.449 -0.313 19771 5918 1 25 . 1 1 430 430 LEU N N 430 122.733 122.733 120.209 2.524 19771 5919 1 25 . 1 1 430 430 LEU HA H 430 4.205 4.205 4.342 -0.137 19771 5920 1 25 . 1 1 430 430 LEU CA C 430 54.950 54.950 54.968 -0.018 19771 5921 1 25 . 1 1 430 430 LEU CB C 430 42.474 42.474 42.549 -0.075 19771 5922 1 25 . 1 1 430 430 LEU H H 430 7.596 7.596 7.632 -0.036 19771 5923 1 25 . 1 1 431 431 GLU N N 431 120.614 120.614 120.884 -0.270 19771 5924 1 25 . 1 1 431 431 GLU H H 431 8.157 8.157 8.132 0.025 19771 5925 1 25 . 1 1 432 432 ASP HA H 432 4.387 4.387 4.817 -0.430 19771 5926 1 25 . 1 1 432 432 ASP CA C 432 54.365 54.365 53.725 0.640 19771 5927 1 25 . 1 1 432 432 ASP CB C 432 41.027 41.027 42.816 -1.789 19771 5928 1 25 . 1 1 433 433 SER N N 433 116.511 116.511 115.370 1.141 19771 5929 1 25 . 1 1 433 433 SER HA H 433 4.222 4.222 3.396 0.826 19771 5930 1 25 . 1 1 433 433 SER CA C 433 57.811 57.811 57.178 0.633 19771 5931 1 25 . 1 1 433 433 SER CB C 433 64.342 64.342 63.641 0.702 19771 5932 1 25 . 1 1 433 433 SER H H 433 7.926 7.926 8.182 -0.256 19771 5933 1 25 . 1 1 434 434 LEU N N 434 124.239 124.239 123.031 1.208 19771 5934 1 25 . 1 1 434 434 LEU HA H 434 4.301 4.301 4.130 0.171 19771 5935 1 25 . 1 1 434 434 LEU CA C 434 54.780 54.780 55.350 -0.570 19771 5936 1 25 . 1 1 434 434 LEU CB C 434 43.682 43.682 43.366 0.316 19771 5937 1 25 . 1 1 434 434 LEU H H 434 8.161 8.161 7.690 0.471 19771 5938 1 25 . 1 1 435 435 CYS N N 435 121.658 121.658 124.005 -2.347 19771 5939 1 25 . 1 1 435 435 CYS HA H 435 3.767 3.767 4.104 -0.337 19771 5940 1 25 . 1 1 435 435 CYS CA C 435 60.505 60.505 59.456 1.049 19771 5941 1 25 . 1 1 435 435 CYS CB C 435 31.833 31.833 27.750 4.083 19771 5942 1 25 . 1 1 435 435 CYS H H 435 8.341 8.341 7.942 0.399 19771 5943 1 25 . 1 1 436 436 HIS N N 436 129.654 129.654 125.252 4.402 19771 5944 1 25 . 1 1 436 436 HIS HA H 436 4.436 4.436 4.672 -0.236 19771 5945 1 25 . 1 1 436 436 HIS CA C 436 58.775 58.775 55.927 2.848 19771 5946 1 25 . 1 1 436 436 HIS CB C 436 32.431 32.431 30.541 1.890 19771 5947 1 25 . 1 1 436 436 HIS H H 436 9.087 9.087 8.226 0.861 19771 5948 1 25 . 1 1 437 437 ILE N N 437 121.647 121.647 117.866 3.781 19771 5949 1 25 . 1 1 437 437 ILE HA H 437 4.122 4.122 4.187 -0.065 19771 5950 1 25 . 1 1 437 437 ILE CA C 437 61.632 61.632 61.408 0.224 19771 5951 1 25 . 1 1 437 437 ILE CB C 437 35.149 35.149 39.187 -4.038 19771 5952 1 25 . 1 1 437 437 ILE H H 437 9.294 9.294 7.644 1.650 19771 5953 1 25 . 1 1 438 438 CYS N N 438 118.756 118.756 114.028 4.728 19771 5954 1 25 . 1 1 438 438 CYS HA H 438 4.719 4.719 4.638 0.081 19771 5955 1 25 . 1 1 438 438 CYS CB C 438 31.931 31.931 29.661 2.270 19771 5956 1 25 . 1 1 438 438 CYS H H 438 8.503 8.503 7.672 0.831 19771 5957 1 25 . 1 1 439 439 SER N N 439 116.341 116.341 115.557 0.784 19771 5958 1 25 . 1 1 439 439 SER HA H 439 4.348 4.348 4.149 0.199 19771 5959 1 25 . 1 1 439 439 SER CA C 439 60.131 60.131 59.502 0.629 19771 5960 1 25 . 1 1 439 439 SER CB C 439 62.642 62.642 61.689 0.953 19771 5961 1 25 . 1 1 439 439 SER H H 439 7.561 7.561 8.040 -0.479 19771 5962 1 25 . 1 1 440 440 SER N N 440 113.455 113.455 114.228 -0.773 19771 5963 1 25 . 1 1 440 440 SER HA H 440 4.777 4.777 4.453 0.324 19771 5964 1 25 . 1 1 440 440 SER CA C 440 58.703 58.703 59.147 -0.444 19771 5965 1 25 . 1 1 440 440 SER CB C 440 65.681 65.681 63.970 1.711 19771 5966 1 25 . 1 1 440 440 SER H H 440 8.272 8.272 8.150 0.122 19771 5967 1 25 . 1 1 441 441 GLN N N 441 118.674 118.674 119.309 -0.635 19771 5968 1 25 . 1 1 441 441 GLN HA H 441 4.865 4.865 4.736 0.129 19771 5969 1 25 . 1 1 441 441 GLN CA C 441 52.802 52.802 53.148 -0.346 19771 5970 1 25 . 1 1 441 441 GLN CB C 441 30.560 30.560 29.115 1.445 19771 5971 1 25 . 1 1 441 441 GLN H H 441 7.355 7.355 7.481 -0.126 19771 5972 1 25 . 1 1 442 442 PRO HA H 442 4.349 4.349 4.231 0.118 19771 5973 1 25 . 1 1 442 442 PRO CA C 442 63.693 63.693 63.562 0.131 19771 5974 1 25 . 1 1 442 442 PRO CB C 442 32.549 32.549 31.451 1.098 19771 5975 1 25 . 1 1 443 443 GLY N N 443 110.126 110.126 106.128 3.998 19771 5976 1 25 . 1 1 443 443 GLY CA C 443 46.097 46.097 44.789 1.308 19771 5977 1 25 . 1 1 443 443 GLY H H 443 8.819 8.819 8.106 0.713 19771 5978 1 25 . 1 1 444 444 PRO HA H 444 4.387 4.387 4.154 0.233 19771 5979 1 25 . 1 1 444 444 PRO CA C 444 63.025 63.025 63.809 -0.784 19771 5980 1 25 . 1 1 444 444 PRO CB C 444 32.737 32.737 31.580 1.157 19771 5981 1 25 . 1 1 445 445 PHE N N 445 116.262 116.262 116.235 0.027 19771 5982 1 25 . 1 1 445 445 PHE HA H 445 4.962 4.962 5.204 -0.242 19771 5983 1 25 . 1 1 445 445 PHE CA C 445 56.014 56.014 55.790 0.224 19771 5984 1 25 . 1 1 445 445 PHE CB C 445 40.028 40.028 42.406 -2.378 19771 5985 1 25 . 1 1 445 445 PHE H H 445 8.066 8.066 7.762 0.304 19771 5986 1 25 . 1 1 446 446 PHE N N 446 126.081 126.081 121.324 4.757 19771 5987 1 25 . 1 1 446 446 PHE HA H 446 5.050 5.050 5.442 -0.392 19771 5988 1 25 . 1 1 446 446 PHE CA C 446 56.775 56.775 56.890 -0.115 19771 5989 1 25 . 1 1 446 446 PHE CB C 446 41.731 41.731 42.951 -1.220 19771 5990 1 25 . 1 1 446 446 PHE H H 446 9.446 9.446 8.397 1.049 19771 5991 1 25 . 1 1 447 447 CYS N N 447 128.746 128.746 123.931 4.815 19771 5992 1 25 . 1 1 447 447 CYS HA H 447 4.874 4.874 5.027 -0.153 19771 5993 1 25 . 1 1 447 447 CYS CA C 447 58.263 58.263 56.583 1.680 19771 5994 1 25 . 1 1 447 447 CYS CB C 447 30.994 30.994 31.201 -0.207 19771 5995 1 25 . 1 1 447 447 CYS H H 447 7.729 7.729 7.588 0.141 19771 5996 1 25 . 1 1 448 448 ARG N N 448 125.530 125.530 121.224 4.306 19771 5997 1 25 . 1 1 448 448 ARG HA H 448 4.080 4.080 4.557 -0.477 19771 5998 1 25 . 1 1 448 448 ARG CA C 448 55.854 55.854 55.879 -0.025 19771 5999 1 25 . 1 1 448 448 ARG CB C 448 31.200 31.200 30.746 0.454 19771 6000 1 25 . 1 1 448 448 ARG H H 448 8.783 8.783 8.693 0.090 19771 6001 1 25 . 1 1 449 449 ASP N N 449 123.969 123.969 122.992 0.977 19771 6002 1 25 . 1 1 449 449 ASP HA H 449 4.155 4.155 4.684 -0.529 19771 6003 1 25 . 1 1 449 449 ASP CA C 449 56.118 56.118 53.199 2.919 19771 6004 1 25 . 1 1 449 449 ASP CB C 449 43.634 43.634 41.744 1.890 19771 6005 1 25 . 1 1 449 449 ASP H H 449 8.117 8.117 7.722 0.395 19771 6006 1 25 . 1 1 450 450 GLN N N 450 125.410 125.410 122.542 2.868 19771 6007 1 25 . 1 1 450 450 GLN HA H 450 3.832 3.832 4.260 -0.428 19771 6008 1 25 . 1 1 450 450 GLN CA C 450 59.127 59.127 57.978 1.149 19771 6009 1 25 . 1 1 450 450 GLN CB C 450 28.699 28.699 28.526 0.173 19771 6010 1 25 . 1 1 450 450 GLN H H 450 8.670 8.670 8.892 -0.222 19771 6011 1 25 . 1 1 451 451 VAL N N 451 113.164 113.164 111.066 2.098 19771 6012 1 25 . 1 1 451 451 VAL HA H 451 4.240 4.240 4.482 -0.242 19771 6013 1 25 . 1 1 451 451 VAL CA C 451 63.199 63.199 61.372 1.827 19771 6014 1 25 . 1 1 451 451 VAL CB C 451 31.439 31.439 31.991 -0.552 19771 6015 1 25 . 1 1 451 451 VAL H H 451 8.591 8.591 7.884 0.707 19771 6016 1 25 . 1 1 452 452 CYS N N 452 120.986 120.986 115.069 5.917 19771 6017 1 25 . 1 1 452 452 CYS HA H 452 4.502 4.502 4.982 -0.480 19771 6018 1 25 . 1 1 452 452 CYS CA C 452 60.474 60.474 57.342 3.132 19771 6019 1 25 . 1 1 452 452 CYS CB C 452 31.715 31.715 26.752 4.963 19771 6020 1 25 . 1 1 452 452 CYS H H 452 7.963 7.963 7.827 0.136 19771 6021 1 25 . 1 1 453 453 PHE N N 453 129.406 129.406 117.747 11.659 19771 6022 1 25 . 1 1 453 453 PHE HA H 453 4.121 4.121 4.830 -0.709 19771 6023 1 25 . 1 1 453 453 PHE CA C 453 59.700 59.700 56.772 2.928 19771 6024 1 25 . 1 1 453 453 PHE CB C 453 38.328 38.328 37.079 1.249 19771 6025 1 25 . 1 1 453 453 PHE H H 453 7.880 7.880 8.676 -0.796 19771 6026 1 25 . 1 1 454 454 LYS N N 454 113.628 113.628 118.393 -4.765 19771 6027 1 25 . 1 1 454 454 LYS HA H 454 4.423 4.423 4.805 -0.382 19771 6028 1 25 . 1 1 454 454 LYS CA C 454 54.050 54.050 54.065 -0.015 19771 6029 1 25 . 1 1 454 454 LYS CB C 454 37.833 37.833 36.287 1.546 19771 6030 1 25 . 1 1 454 454 LYS H H 454 6.384 6.384 7.530 -1.146 19771 6031 1 25 . 1 1 455 455 TYR N N 455 117.756 117.756 116.990 0.766 19771 6032 1 25 . 1 1 455 455 TYR HA H 455 5.111 5.111 5.060 0.051 19771 6033 1 25 . 1 1 455 455 TYR CA C 455 58.616 58.616 58.977 -0.361 19771 6034 1 25 . 1 1 455 455 TYR CB C 455 39.956 39.956 39.824 0.132 19771 6035 1 25 . 1 1 455 455 TYR H H 455 7.100 7.100 7.791 -0.691 19771 6036 1 25 . 1 1 456 456 PHE N N 456 117.529 117.529 117.361 0.168 19771 6037 1 25 . 1 1 456 456 PHE HA H 456 6.342 6.342 5.144 1.198 19771 6038 1 25 . 1 1 456 456 PHE CA C 456 57.017 57.017 56.827 0.190 19771 6039 1 25 . 1 1 456 456 PHE CB C 456 45.138 45.138 44.434 0.704 19771 6040 1 25 . 1 1 456 456 PHE H H 456 9.527 9.527 9.177 0.350 19771 6041 1 25 . 1 1 457 457 CYS N N 457 119.575 119.575 116.832 2.743 19771 6042 1 25 . 1 1 457 457 CYS HA H 457 5.435 5.435 5.250 0.185 19771 6043 1 25 . 1 1 457 457 CYS CA C 457 58.044 58.044 56.820 1.224 19771 6044 1 25 . 1 1 457 457 CYS CB C 457 32.277 32.277 31.298 0.979 19771 6045 1 25 . 1 1 457 457 CYS H H 457 9.710 9.710 9.098 0.612 19771 6046 1 25 . 1 1 458 458 ARG N N 458 120.479 120.479 121.296 -0.817 19771 6047 1 25 . 1 1 458 458 ARG HA H 458 3.750 3.750 4.044 -0.294 19771 6048 1 25 . 1 1 458 458 ARG CA C 458 60.863 60.863 60.379 0.484 19771 6049 1 25 . 1 1 458 458 ARG CB C 458 30.407 30.407 30.370 0.037 19771 6050 1 25 . 1 1 458 458 ARG H H 458 9.300 9.300 9.017 0.283 19771 6051 1 25 . 1 1 459 459 SER N N 459 114.502 114.502 114.140 0.362 19771 6052 1 25 . 1 1 459 459 SER HA H 459 4.424 4.424 4.395 0.029 19771 6053 1 25 . 1 1 459 459 SER CA C 459 62.116 62.116 61.319 0.797 19771 6054 1 25 . 1 1 459 459 SER CB C 459 62.828 62.828 63.514 -0.686 19771 6055 1 25 . 1 1 459 459 SER H H 459 8.482 8.482 8.623 -0.141 19771 6056 1 25 . 1 1 460 460 CYS N N 460 126.957 126.957 117.366 9.591 19771 6057 1 25 . 1 1 460 460 CYS HA H 460 4.402 4.402 4.984 -0.582 19771 6058 1 25 . 1 1 460 460 CYS CA C 460 65.041 65.041 58.646 6.395 19771 6059 1 25 . 1 1 460 460 CYS CB C 460 30.694 30.694 26.962 3.732 19771 6060 1 25 . 1 1 460 460 CYS H H 460 9.474 9.474 8.039 1.435 19771 6061 1 25 . 1 1 461 461 TRP N N 461 121.032 121.032 124.577 -3.545 19771 6062 1 25 . 1 1 461 461 TRP HA H 461 3.259 3.259 4.121 -0.862 19771 6063 1 25 . 1 1 461 461 TRP CA C 461 62.794 62.794 61.286 1.508 19771 6064 1 25 . 1 1 461 461 TRP CB C 461 27.672 27.672 29.177 -1.505 19771 6065 1 25 . 1 1 461 461 TRP H H 461 9.553 9.553 8.924 0.629 19771 6066 1 25 . 1 1 462 462 HIS N N 462 119.358 119.358 115.707 3.651 19771 6067 1 25 . 1 1 462 462 HIS HA H 462 4.280 4.280 4.486 -0.206 19771 6068 1 25 . 1 1 462 462 HIS CA C 462 59.828 59.828 59.480 0.348 19771 6069 1 25 . 1 1 462 462 HIS CB C 462 30.330 30.330 29.679 0.651 19771 6070 1 25 . 1 1 462 462 HIS H H 462 8.007 8.007 7.707 0.300 19771 6071 1 25 . 1 1 463 463 TRP N N 463 121.005 121.005 121.758 -0.753 19771 6072 1 25 . 1 1 463 463 TRP HA H 463 4.179 4.179 4.452 -0.273 19771 6073 1 25 . 1 1 463 463 TRP CA C 463 60.915 60.915 60.452 0.464 19771 6074 1 25 . 1 1 463 463 TRP CB C 463 28.556 28.556 29.673 -1.117 19771 6075 1 25 . 1 1 463 463 TRP H H 463 8.146 8.146 7.880 0.266 19771 6076 1 25 . 1 1 464 464 ARG N N 464 117.937 117.937 117.154 0.783 19771 6077 1 25 . 1 1 464 464 ARG HA H 464 3.160 3.160 3.865 -0.705 19771 6078 1 25 . 1 1 464 464 ARG CA C 464 57.153 57.153 56.072 1.081 19771 6079 1 25 . 1 1 464 464 ARG CB C 464 29.998 29.998 30.305 -0.307 19771 6080 1 25 . 1 1 464 464 ARG H H 464 8.136 8.136 7.290 0.846 19771 6081 1 25 . 1 1 465 465 HIS N N 465 109.139 109.139 115.640 -6.501 19771 6082 1 25 . 1 1 465 465 HIS HA H 465 3.729 3.729 4.507 -0.778 19771 6083 1 25 . 1 1 465 465 HIS CA C 465 58.797 58.797 55.841 2.956 19771 6084 1 25 . 1 1 465 465 HIS CB C 465 25.377 25.377 30.527 -5.150 19771 6085 1 25 . 1 1 465 465 HIS H H 465 7.359 7.359 7.945 -0.586 19771 6086 1 25 . 1 1 466 466 SER N N 466 112.123 112.123 115.568 -3.445 19771 6087 1 25 . 1 1 466 466 SER HA H 466 4.273 4.273 4.429 -0.156 19771 6088 1 25 . 1 1 466 466 SER CA C 466 58.999 58.999 59.015 -0.016 19771 6089 1 25 . 1 1 466 466 SER CB C 466 63.431 63.431 62.857 0.574 19771 6090 1 25 . 1 1 466 466 SER H H 466 6.897 6.897 7.921 -1.024 19771 6091 1 25 . 1 1 467 467 MET N N 467 121.282 121.282 117.582 3.700 19771 6092 1 25 . 1 1 467 467 MET HA H 467 4.133 4.133 4.596 -0.463 19771 6093 1 25 . 1 1 467 467 MET CA C 467 55.435 55.435 54.870 0.565 19771 6094 1 25 . 1 1 467 467 MET CB C 467 33.206 33.206 31.666 1.540 19771 6095 1 25 . 1 1 467 467 MET H H 467 6.766 6.766 7.245 -0.479 19771 6096 1 25 . 1 1 468 468 GLU N N 468 122.864 122.864 117.771 5.093 19771 6097 1 25 . 1 1 468 468 GLU HA H 468 3.754 3.754 3.990 -0.236 19771 6098 1 25 . 1 1 468 468 GLU CA C 468 58.708 58.708 57.591 1.117 19771 6099 1 25 . 1 1 468 468 GLU CB C 468 29.457 29.457 28.750 0.707 19771 6100 1 25 . 1 1 468 468 GLU H H 468 8.455 8.455 8.435 0.020 19771 6101 1 25 . 1 1 469 469 GLY N N 469 112.643 112.643 105.256 7.387 19771 6102 1 25 . 1 1 469 469 GLY CA C 469 45.398 45.398 45.483 -0.086 19771 6103 1 25 . 1 1 469 469 GLY H H 469 8.893 8.893 8.047 0.846 19771 6104 1 25 . 1 1 470 470 LEU N N 470 118.167 118.167 117.575 0.592 19771 6105 1 25 . 1 1 470 470 LEU HA H 470 3.862 3.862 4.361 -0.499 19771 6106 1 25 . 1 1 470 470 LEU CA C 470 54.284 54.284 53.285 0.999 19771 6107 1 25 . 1 1 470 470 LEU CB C 470 42.923 42.923 41.313 1.610 19771 6108 1 25 . 1 1 470 470 LEU H H 470 7.642 7.642 7.606 0.036 19771 6109 1 25 . 1 1 471 471 ARG N N 471 115.958 115.958 120.430 -4.472 19771 6110 1 25 . 1 1 471 471 ARG HA H 471 4.328 4.328 4.169 0.159 19771 6111 1 25 . 1 1 471 471 ARG CA C 471 58.357 58.357 57.551 0.806 19771 6112 1 25 . 1 1 471 471 ARG CB C 471 30.183 30.183 29.448 0.735 19771 6113 1 25 . 1 1 471 471 ARG H H 471 7.256 7.256 8.405 -1.149 19771 6114 1 25 . 1 1 472 472 HIS N N 472 113.710 113.710 112.578 1.132 19771 6115 1 25 . 1 1 472 472 HIS HA H 472 4.635 4.635 4.628 0.007 19771 6116 1 25 . 1 1 472 472 HIS CA C 472 56.199 56.199 55.693 0.506 19771 6117 1 25 . 1 1 472 472 HIS CB C 472 30.157 30.157 29.111 1.046 19771 6118 1 25 . 1 1 472 472 HIS H H 472 8.410 8.410 8.309 0.101 19771 6119 1 25 . 1 1 473 473 HIS N N 473 122.456 122.456 120.196 2.260 19771 6120 1 25 . 1 1 473 473 HIS HA H 473 4.418 4.418 4.484 -0.066 19771 6121 1 25 . 1 1 473 473 HIS CA C 473 55.485 55.485 56.082 -0.597 19771 6122 1 25 . 1 1 473 473 HIS CB C 473 31.291 31.291 30.574 0.717 19771 6123 1 25 . 1 1 473 473 HIS H H 473 6.899 6.899 7.267 -0.368 19771 6124 1 25 . 1 1 474 474 SER N N 474 117.590 117.590 115.972 1.618 19771 6125 1 25 . 1 1 474 474 SER HA H 474 5.065 5.065 4.898 0.167 19771 6126 1 25 . 1 1 474 474 SER CA C 474 55.164 55.164 54.495 0.669 19771 6127 1 25 . 1 1 474 474 SER CB C 474 64.749 64.749 64.809 -0.060 19771 6128 1 25 . 1 1 474 474 SER H H 474 8.600 8.600 8.566 0.034 19771 6129 1 25 . 1 1 475 475 PRO HA H 475 4.258 4.258 4.809 -0.551 19771 6130 1 25 . 1 1 475 475 PRO CA C 475 62.975 62.975 62.384 0.591 19771 6131 1 25 . 1 1 475 475 PRO CB C 475 31.696 31.696 31.909 -0.213 19771 6132 1 25 . 1 1 476 476 LEU N N 476 123.672 123.672 124.778 -1.106 19771 6133 1 25 . 1 1 476 476 LEU CB C 476 44.146 44.146 44.503 -0.357 19771 6134 1 25 . 1 1 476 476 LEU H H 476 8.843 8.843 8.541 0.302 19771 6135 1 25 . 1 1 477 477 MET N N 477 122.428 122.428 117.667 4.761 19771 6136 1 25 . 1 1 477 477 MET HA H 477 4.918 4.918 4.922 -0.004 19771 6137 1 25 . 1 1 477 477 MET CA C 477 54.604 54.604 54.383 0.221 19771 6138 1 25 . 1 1 477 477 MET CB C 477 34.225 34.225 34.754 -0.529 19771 6139 1 25 . 1 1 477 477 MET H H 477 8.564 8.564 8.151 0.413 19771 6140 1 25 . 1 1 478 478 ARG N N 478 123.419 123.419 121.040 2.379 19771 6141 1 25 . 1 1 478 478 ARG CB C 478 32.024 32.024 31.776 0.248 19771 6142 1 25 . 1 1 478 478 ARG H H 478 8.825 8.825 8.501 0.324 19771 6143 1 25 . 1 1 481 481 LYS N N 481 122.000 122.000 120.284 1.716 19771 6144 1 25 . 1 1 481 481 LYS H H 481 8.284 8.284 7.557 0.727 19771 6145 1 25 . 1 1 482 482 ASN N N 482 119.466 119.466 119.394 0.072 19771 6146 1 25 . 1 1 482 482 ASN H H 482 8.379 8.379 8.363 0.016 19771 6147 1 25 . 1 1 483 483 ARG N N 483 121.400 121.400 120.667 0.733 19771 6148 1 25 . 1 1 483 483 ARG H H 483 8.302 8.302 8.638 -0.336 19771 6149 1 25 . 1 1 485 485 SER N N 485 115.800 115.800 115.326 0.474 19771 6150 1 25 . 1 1 485 485 SER H H 485 8.112 8.112 7.948 0.164 19771 6151 1 26 . 1 1 427 427 ASP N N 427 125.779 125.779 123.814 1.965 19771 6152 1 26 . 1 1 427 427 ASP HA H 427 4.829 4.829 4.885 -0.056 19771 6153 1 26 . 1 1 427 427 ASP CA C 427 52.150 52.150 53.468 -1.318 19771 6154 1 26 . 1 1 427 427 ASP CB C 427 41.537 41.537 41.384 0.153 19771 6155 1 26 . 1 1 427 427 ASP H H 427 8.293 8.293 8.401 -0.108 19771 6156 1 26 . 1 1 428 428 PRO HA H 428 4.229 4.229 4.464 -0.235 19771 6157 1 26 . 1 1 428 428 PRO CA C 428 63.337 63.337 62.508 0.829 19771 6158 1 26 . 1 1 428 428 PRO CB C 428 32.019 32.019 32.460 -0.441 19771 6159 1 26 . 1 1 429 429 TYR N N 429 119.152 119.152 119.570 -0.418 19771 6160 1 26 . 1 1 429 429 TYR HA H 429 4.421 4.421 4.451 -0.030 19771 6161 1 26 . 1 1 429 429 TYR CA C 429 57.961 57.961 59.273 -1.312 19771 6162 1 26 . 1 1 429 429 TYR CB C 429 37.968 37.968 38.847 -0.879 19771 6163 1 26 . 1 1 429 429 TYR H H 429 8.136 8.136 8.273 -0.137 19771 6164 1 26 . 1 1 430 430 LEU N N 430 122.733 122.733 114.514 8.219 19771 6165 1 26 . 1 1 430 430 LEU HA H 430 4.205 4.205 4.705 -0.500 19771 6166 1 26 . 1 1 430 430 LEU CA C 430 54.950 54.950 53.616 1.334 19771 6167 1 26 . 1 1 430 430 LEU CB C 430 42.474 42.474 45.259 -2.785 19771 6168 1 26 . 1 1 430 430 LEU H H 430 7.596 7.596 7.338 0.258 19771 6169 1 26 . 1 1 431 431 GLU N N 431 120.614 120.614 119.037 1.577 19771 6170 1 26 . 1 1 431 431 GLU H H 431 8.157 8.157 8.441 -0.284 19771 6171 1 26 . 1 1 432 432 ASP HA H 432 4.387 4.387 4.546 -0.159 19771 6172 1 26 . 1 1 432 432 ASP CA C 432 54.365 54.365 55.000 -0.635 19771 6173 1 26 . 1 1 432 432 ASP CB C 432 41.027 41.027 40.886 0.141 19771 6174 1 26 . 1 1 433 433 SER N N 433 116.511 116.511 113.142 3.369 19771 6175 1 26 . 1 1 433 433 SER HA H 433 4.222 4.222 3.806 0.416 19771 6176 1 26 . 1 1 433 433 SER CA C 433 57.811 57.811 57.011 0.799 19771 6177 1 26 . 1 1 433 433 SER CB C 433 64.342 64.342 63.033 1.309 19771 6178 1 26 . 1 1 433 433 SER H H 433 7.926 7.926 7.649 0.277 19771 6179 1 26 . 1 1 434 434 LEU N N 434 124.239 124.239 123.196 1.043 19771 6180 1 26 . 1 1 434 434 LEU HA H 434 4.301 4.301 4.120 0.181 19771 6181 1 26 . 1 1 434 434 LEU CA C 434 54.780 54.780 55.389 -0.609 19771 6182 1 26 . 1 1 434 434 LEU CB C 434 43.682 43.682 43.114 0.568 19771 6183 1 26 . 1 1 434 434 LEU H H 434 8.161 8.161 7.140 1.021 19771 6184 1 26 . 1 1 435 435 CYS N N 435 121.658 121.658 124.758 -3.100 19771 6185 1 26 . 1 1 435 435 CYS HA H 435 3.767 3.767 4.268 -0.501 19771 6186 1 26 . 1 1 435 435 CYS CA C 435 60.505 60.505 59.945 0.560 19771 6187 1 26 . 1 1 435 435 CYS CB C 435 31.833 31.833 27.773 4.060 19771 6188 1 26 . 1 1 435 435 CYS H H 435 8.341 8.341 8.069 0.272 19771 6189 1 26 . 1 1 436 436 HIS N N 436 129.654 129.654 126.841 2.813 19771 6190 1 26 . 1 1 436 436 HIS HA H 436 4.436 4.436 4.659 -0.223 19771 6191 1 26 . 1 1 436 436 HIS CA C 436 58.775 58.775 57.712 1.063 19771 6192 1 26 . 1 1 436 436 HIS CB C 436 32.431 32.431 30.606 1.825 19771 6193 1 26 . 1 1 436 436 HIS H H 436 9.087 9.087 8.373 0.714 19771 6194 1 26 . 1 1 437 437 ILE N N 437 121.647 121.647 118.369 3.278 19771 6195 1 26 . 1 1 437 437 ILE HA H 437 4.122 4.122 4.211 -0.089 19771 6196 1 26 . 1 1 437 437 ILE CA C 437 61.632 61.632 61.832 -0.200 19771 6197 1 26 . 1 1 437 437 ILE CB C 437 35.149 35.149 38.596 -3.447 19771 6198 1 26 . 1 1 437 437 ILE H H 437 9.294 9.294 7.774 1.520 19771 6199 1 26 . 1 1 438 438 CYS N N 438 118.756 118.756 113.945 4.811 19771 6200 1 26 . 1 1 438 438 CYS HA H 438 4.719 4.719 4.828 -0.109 19771 6201 1 26 . 1 1 438 438 CYS CB C 438 31.931 31.931 29.391 2.540 19771 6202 1 26 . 1 1 438 438 CYS H H 438 8.503 8.503 7.878 0.625 19771 6203 1 26 . 1 1 439 439 SER N N 439 116.341 116.341 116.356 -0.015 19771 6204 1 26 . 1 1 439 439 SER HA H 439 4.348 4.348 4.086 0.262 19771 6205 1 26 . 1 1 439 439 SER CA C 439 60.131 60.131 59.448 0.683 19771 6206 1 26 . 1 1 439 439 SER CB C 439 62.642 62.642 61.478 1.164 19771 6207 1 26 . 1 1 439 439 SER H H 439 7.561 7.561 8.332 -0.771 19771 6208 1 26 . 1 1 440 440 SER N N 440 113.455 113.455 114.163 -0.708 19771 6209 1 26 . 1 1 440 440 SER HA H 440 4.777 4.777 4.494 0.283 19771 6210 1 26 . 1 1 440 440 SER CA C 440 58.703 58.703 59.658 -0.955 19771 6211 1 26 . 1 1 440 440 SER CB C 440 65.681 65.681 64.097 1.584 19771 6212 1 26 . 1 1 440 440 SER H H 440 8.272 8.272 8.108 0.164 19771 6213 1 26 . 1 1 441 441 GLN N N 441 118.674 118.674 118.957 -0.283 19771 6214 1 26 . 1 1 441 441 GLN HA H 441 4.865 4.865 4.725 0.140 19771 6215 1 26 . 1 1 441 441 GLN CA C 441 52.802 52.802 53.242 -0.440 19771 6216 1 26 . 1 1 441 441 GLN CB C 441 30.560 30.560 29.282 1.278 19771 6217 1 26 . 1 1 441 441 GLN H H 441 7.355 7.355 7.387 -0.032 19771 6218 1 26 . 1 1 442 442 PRO HA H 442 4.349 4.349 4.311 0.038 19771 6219 1 26 . 1 1 442 442 PRO CA C 442 63.693 63.693 63.299 0.394 19771 6220 1 26 . 1 1 442 442 PRO CB C 442 32.549 32.549 31.750 0.799 19771 6221 1 26 . 1 1 443 443 GLY N N 443 110.126 110.126 106.055 4.071 19771 6222 1 26 . 1 1 443 443 GLY CA C 443 46.097 46.097 44.802 1.295 19771 6223 1 26 . 1 1 443 443 GLY H H 443 8.819 8.819 8.093 0.726 19771 6224 1 26 . 1 1 444 444 PRO HA H 444 4.387 4.387 4.098 0.289 19771 6225 1 26 . 1 1 444 444 PRO CA C 444 63.025 63.025 63.909 -0.884 19771 6226 1 26 . 1 1 444 444 PRO CB C 444 32.737 32.737 31.620 1.117 19771 6227 1 26 . 1 1 445 445 PHE N N 445 116.262 116.262 117.279 -1.017 19771 6228 1 26 . 1 1 445 445 PHE HA H 445 4.962 4.962 4.799 0.163 19771 6229 1 26 . 1 1 445 445 PHE CA C 445 56.014 56.014 56.772 -0.758 19771 6230 1 26 . 1 1 445 445 PHE CB C 445 40.028 40.028 42.438 -2.410 19771 6231 1 26 . 1 1 445 445 PHE H H 445 8.066 8.066 7.833 0.233 19771 6232 1 26 . 1 1 446 446 PHE N N 446 126.081 126.081 121.126 4.955 19771 6233 1 26 . 1 1 446 446 PHE HA H 446 5.050 5.050 5.543 -0.493 19771 6234 1 26 . 1 1 446 446 PHE CA C 446 56.775 56.775 56.448 0.327 19771 6235 1 26 . 1 1 446 446 PHE CB C 446 41.731 41.731 43.535 -1.804 19771 6236 1 26 . 1 1 446 446 PHE H H 446 9.446 9.446 8.674 0.772 19771 6237 1 26 . 1 1 447 447 CYS N N 447 128.746 128.746 124.165 4.581 19771 6238 1 26 . 1 1 447 447 CYS HA H 447 4.874 4.874 4.949 -0.075 19771 6239 1 26 . 1 1 447 447 CYS CA C 447 58.263 58.263 57.865 0.398 19771 6240 1 26 . 1 1 447 447 CYS CB C 447 30.994 30.994 30.458 0.536 19771 6241 1 26 . 1 1 447 447 CYS H H 447 7.729 7.729 7.453 0.276 19771 6242 1 26 . 1 1 448 448 ARG N N 448 125.530 125.530 127.255 -1.725 19771 6243 1 26 . 1 1 448 448 ARG HA H 448 4.080 4.080 4.823 -0.743 19771 6244 1 26 . 1 1 448 448 ARG CA C 448 55.854 55.854 55.527 0.327 19771 6245 1 26 . 1 1 448 448 ARG CB C 448 31.200 31.200 30.957 0.243 19771 6246 1 26 . 1 1 448 448 ARG H H 448 8.783 8.783 8.497 0.286 19771 6247 1 26 . 1 1 449 449 ASP N N 449 123.969 123.969 122.903 1.066 19771 6248 1 26 . 1 1 449 449 ASP HA H 449 4.155 4.155 4.802 -0.647 19771 6249 1 26 . 1 1 449 449 ASP CA C 449 56.118 56.118 52.946 3.172 19771 6250 1 26 . 1 1 449 449 ASP CB C 449 43.634 43.634 44.089 -0.455 19771 6251 1 26 . 1 1 449 449 ASP H H 449 8.117 8.117 8.302 -0.185 19771 6252 1 26 . 1 1 450 450 GLN N N 450 125.410 125.410 119.385 6.025 19771 6253 1 26 . 1 1 450 450 GLN HA H 450 3.832 3.832 4.137 -0.305 19771 6254 1 26 . 1 1 450 450 GLN CA C 450 59.127 59.127 57.929 1.198 19771 6255 1 26 . 1 1 450 450 GLN CB C 450 28.699 28.699 28.866 -0.167 19771 6256 1 26 . 1 1 450 450 GLN H H 450 8.670 8.670 8.812 -0.142 19771 6257 1 26 . 1 1 451 451 VAL N N 451 113.164 113.164 109.211 3.953 19771 6258 1 26 . 1 1 451 451 VAL HA H 451 4.240 4.240 4.445 -0.205 19771 6259 1 26 . 1 1 451 451 VAL CA C 451 63.199 63.199 61.521 1.678 19771 6260 1 26 . 1 1 451 451 VAL CB C 451 31.439 31.439 33.103 -1.664 19771 6261 1 26 . 1 1 451 451 VAL H H 451 8.591 8.591 7.818 0.773 19771 6262 1 26 . 1 1 452 452 CYS N N 452 120.986 120.986 120.026 0.960 19771 6263 1 26 . 1 1 452 452 CYS HA H 452 4.502 4.502 5.119 -0.617 19771 6264 1 26 . 1 1 452 452 CYS CA C 452 60.474 60.474 58.917 1.557 19771 6265 1 26 . 1 1 452 452 CYS CB C 452 31.715 31.715 29.705 2.010 19771 6266 1 26 . 1 1 452 452 CYS H H 452 7.963 7.963 7.699 0.265 19771 6267 1 26 . 1 1 453 453 PHE N N 453 129.406 129.406 118.384 11.022 19771 6268 1 26 . 1 1 453 453 PHE HA H 453 4.121 4.121 4.950 -0.829 19771 6269 1 26 . 1 1 453 453 PHE CA C 453 59.700 59.700 56.697 3.003 19771 6270 1 26 . 1 1 453 453 PHE CB C 453 38.328 38.328 38.811 -0.483 19771 6271 1 26 . 1 1 453 453 PHE H H 453 7.880 7.880 8.433 -0.553 19771 6272 1 26 . 1 1 454 454 LYS N N 454 113.628 113.628 118.687 -5.059 19771 6273 1 26 . 1 1 454 454 LYS HA H 454 4.423 4.423 4.373 0.050 19771 6274 1 26 . 1 1 454 454 LYS CA C 454 54.050 54.050 53.827 0.223 19771 6275 1 26 . 1 1 454 454 LYS CB C 454 37.833 37.833 36.453 1.381 19771 6276 1 26 . 1 1 454 454 LYS H H 454 6.384 6.384 7.065 -0.681 19771 6277 1 26 . 1 1 455 455 TYR N N 455 117.756 117.756 117.237 0.519 19771 6278 1 26 . 1 1 455 455 TYR HA H 455 5.111 5.111 5.099 0.012 19771 6279 1 26 . 1 1 455 455 TYR CA C 455 58.616 58.616 58.711 -0.094 19771 6280 1 26 . 1 1 455 455 TYR CB C 455 39.956 39.956 40.010 -0.054 19771 6281 1 26 . 1 1 455 455 TYR H H 455 7.100 7.100 8.520 -1.420 19771 6282 1 26 . 1 1 456 456 PHE N N 456 117.529 117.529 117.414 0.115 19771 6283 1 26 . 1 1 456 456 PHE HA H 456 6.342 6.342 5.081 1.261 19771 6284 1 26 . 1 1 456 456 PHE CA C 456 57.017 57.017 56.817 0.200 19771 6285 1 26 . 1 1 456 456 PHE CB C 456 45.138 45.138 44.341 0.797 19771 6286 1 26 . 1 1 456 456 PHE H H 456 9.527 9.527 9.160 0.367 19771 6287 1 26 . 1 1 457 457 CYS N N 457 119.575 119.575 116.620 2.955 19771 6288 1 26 . 1 1 457 457 CYS HA H 457 5.435 5.435 5.278 0.157 19771 6289 1 26 . 1 1 457 457 CYS CA C 457 58.044 58.044 56.574 1.470 19771 6290 1 26 . 1 1 457 457 CYS CB C 457 32.277 32.277 31.243 1.034 19771 6291 1 26 . 1 1 457 457 CYS H H 457 9.710 9.710 8.904 0.806 19771 6292 1 26 . 1 1 458 458 ARG N N 458 120.479 120.479 119.934 0.545 19771 6293 1 26 . 1 1 458 458 ARG HA H 458 3.750 3.750 3.787 -0.037 19771 6294 1 26 . 1 1 458 458 ARG CA C 458 60.863 60.863 59.517 1.346 19771 6295 1 26 . 1 1 458 458 ARG CB C 458 30.407 30.407 29.916 0.491 19771 6296 1 26 . 1 1 458 458 ARG H H 458 9.300 9.300 8.883 0.417 19771 6297 1 26 . 1 1 459 459 SER N N 459 114.502 114.502 114.187 0.315 19771 6298 1 26 . 1 1 459 459 SER HA H 459 4.424 4.424 4.131 0.293 19771 6299 1 26 . 1 1 459 459 SER CA C 459 62.116 62.116 60.657 1.459 19771 6300 1 26 . 1 1 459 459 SER CB C 459 62.828 62.828 62.987 -0.159 19771 6301 1 26 . 1 1 459 459 SER H H 459 8.482 8.482 8.056 0.426 19771 6302 1 26 . 1 1 460 460 CYS N N 460 126.957 126.957 117.968 8.989 19771 6303 1 26 . 1 1 460 460 CYS HA H 460 4.402 4.402 3.917 0.485 19771 6304 1 26 . 1 1 460 460 CYS CA C 460 65.041 65.041 58.180 6.861 19771 6305 1 26 . 1 1 460 460 CYS CB C 460 30.694 30.694 26.367 4.327 19771 6306 1 26 . 1 1 460 460 CYS H H 460 9.474 9.474 7.494 1.980 19771 6307 1 26 . 1 1 461 461 TRP N N 461 121.032 121.032 123.976 -2.944 19771 6308 1 26 . 1 1 461 461 TRP HA H 461 3.259 3.259 4.003 -0.744 19771 6309 1 26 . 1 1 461 461 TRP CA C 461 62.794 62.794 60.976 1.818 19771 6310 1 26 . 1 1 461 461 TRP CB C 461 27.672 27.672 28.934 -1.262 19771 6311 1 26 . 1 1 461 461 TRP H H 461 9.553 9.553 8.494 1.059 19771 6312 1 26 . 1 1 462 462 HIS N N 462 119.358 119.358 115.273 4.085 19771 6313 1 26 . 1 1 462 462 HIS HA H 462 4.280 4.280 4.493 -0.213 19771 6314 1 26 . 1 1 462 462 HIS CA C 462 59.828 59.828 58.760 1.069 19771 6315 1 26 . 1 1 462 462 HIS CB C 462 30.330 30.330 29.289 1.041 19771 6316 1 26 . 1 1 462 462 HIS H H 462 8.007 8.007 7.389 0.618 19771 6317 1 26 . 1 1 463 463 TRP N N 463 121.005 121.005 118.810 2.195 19771 6318 1 26 . 1 1 463 463 TRP HA H 463 4.179 4.179 4.596 -0.417 19771 6319 1 26 . 1 1 463 463 TRP CA C 463 60.915 60.915 58.759 2.156 19771 6320 1 26 . 1 1 463 463 TRP CB C 463 28.556 28.556 28.692 -0.136 19771 6321 1 26 . 1 1 463 463 TRP H H 463 8.146 8.146 7.514 0.632 19771 6322 1 26 . 1 1 464 464 ARG N N 464 117.937 117.937 115.722 2.215 19771 6323 1 26 . 1 1 464 464 ARG HA H 464 3.160 3.160 4.164 -1.004 19771 6324 1 26 . 1 1 464 464 ARG CA C 464 57.153 57.153 55.151 2.002 19771 6325 1 26 . 1 1 464 464 ARG CB C 464 29.998 29.998 30.826 -0.828 19771 6326 1 26 . 1 1 464 464 ARG H H 464 8.136 8.136 7.221 0.915 19771 6327 1 26 . 1 1 465 465 HIS N N 465 109.139 109.139 114.612 -5.473 19771 6328 1 26 . 1 1 465 465 HIS HA H 465 3.729 3.729 4.471 -0.742 19771 6329 1 26 . 1 1 465 465 HIS CA C 465 58.797 58.797 55.768 3.029 19771 6330 1 26 . 1 1 465 465 HIS CB C 465 25.377 25.377 30.797 -5.420 19771 6331 1 26 . 1 1 465 465 HIS H H 465 7.359 7.359 7.729 -0.370 19771 6332 1 26 . 1 1 466 466 SER N N 466 112.123 112.123 115.381 -3.258 19771 6333 1 26 . 1 1 466 466 SER HA H 466 4.273 4.273 4.426 -0.153 19771 6334 1 26 . 1 1 466 466 SER CA C 466 58.999 58.999 59.377 -0.377 19771 6335 1 26 . 1 1 466 466 SER CB C 466 63.431 63.431 63.551 -0.120 19771 6336 1 26 . 1 1 466 466 SER H H 466 6.897 6.897 7.806 -0.909 19771 6337 1 26 . 1 1 467 467 MET N N 467 121.282 121.282 118.846 2.436 19771 6338 1 26 . 1 1 467 467 MET HA H 467 4.133 4.133 4.864 -0.731 19771 6339 1 26 . 1 1 467 467 MET CA C 467 55.435 55.435 53.996 1.439 19771 6340 1 26 . 1 1 467 467 MET CB C 467 33.206 33.206 34.933 -1.727 19771 6341 1 26 . 1 1 467 467 MET H H 467 6.766 6.766 7.389 -0.623 19771 6342 1 26 . 1 1 468 468 GLU N N 468 122.864 122.864 120.544 2.320 19771 6343 1 26 . 1 1 468 468 GLU HA H 468 3.754 3.754 4.132 -0.378 19771 6344 1 26 . 1 1 468 468 GLU CA C 468 58.708 58.708 58.135 0.573 19771 6345 1 26 . 1 1 468 468 GLU CB C 468 29.457 29.457 29.229 0.229 19771 6346 1 26 . 1 1 468 468 GLU H H 468 8.455 8.455 8.937 -0.482 19771 6347 1 26 . 1 1 469 469 GLY N N 469 112.643 112.643 104.824 7.819 19771 6348 1 26 . 1 1 469 469 GLY CA C 469 45.398 45.398 45.531 -0.133 19771 6349 1 26 . 1 1 469 469 GLY H H 469 8.893 8.893 8.035 0.858 19771 6350 1 26 . 1 1 470 470 LEU N N 470 118.167 118.167 117.336 0.831 19771 6351 1 26 . 1 1 470 470 LEU HA H 470 3.862 3.862 4.163 -0.301 19771 6352 1 26 . 1 1 470 470 LEU CA C 470 54.284 54.284 54.132 0.152 19771 6353 1 26 . 1 1 470 470 LEU CB C 470 42.923 42.923 42.327 0.596 19771 6354 1 26 . 1 1 470 470 LEU H H 470 7.642 7.642 7.532 0.110 19771 6355 1 26 . 1 1 471 471 ARG N N 471 115.958 115.958 119.615 -3.657 19771 6356 1 26 . 1 1 471 471 ARG HA H 471 4.328 4.328 4.455 -0.127 19771 6357 1 26 . 1 1 471 471 ARG CA C 471 58.357 58.357 56.911 1.446 19771 6358 1 26 . 1 1 471 471 ARG CB C 471 30.183 30.183 28.997 1.186 19771 6359 1 26 . 1 1 471 471 ARG H H 471 7.256 7.256 7.658 -0.402 19771 6360 1 26 . 1 1 472 472 HIS N N 472 113.710 113.710 112.597 1.113 19771 6361 1 26 . 1 1 472 472 HIS HA H 472 4.635 4.635 4.841 -0.206 19771 6362 1 26 . 1 1 472 472 HIS CA C 472 56.199 56.199 54.887 1.312 19771 6363 1 26 . 1 1 472 472 HIS CB C 472 30.157 30.157 28.798 1.359 19771 6364 1 26 . 1 1 472 472 HIS H H 472 8.410 8.410 7.568 0.842 19771 6365 1 26 . 1 1 473 473 HIS N N 473 122.456 122.456 121.368 1.088 19771 6366 1 26 . 1 1 473 473 HIS HA H 473 4.418 4.418 4.564 -0.146 19771 6367 1 26 . 1 1 473 473 HIS CA C 473 55.485 55.485 56.123 -0.638 19771 6368 1 26 . 1 1 473 473 HIS CB C 473 31.291 31.291 30.645 0.646 19771 6369 1 26 . 1 1 473 473 HIS H H 473 6.899 6.899 7.225 -0.326 19771 6370 1 26 . 1 1 474 474 SER N N 474 117.590 117.590 115.976 1.614 19771 6371 1 26 . 1 1 474 474 SER HA H 474 5.065 5.065 4.933 0.132 19771 6372 1 26 . 1 1 474 474 SER CA C 474 55.164 55.164 55.050 0.114 19771 6373 1 26 . 1 1 474 474 SER CB C 474 64.749 64.749 64.882 -0.133 19771 6374 1 26 . 1 1 474 474 SER H H 474 8.600 8.600 8.530 0.070 19771 6375 1 26 . 1 1 475 475 PRO HA H 475 4.258 4.258 4.300 -0.042 19771 6376 1 26 . 1 1 475 475 PRO CA C 475 62.975 62.975 62.891 0.084 19771 6377 1 26 . 1 1 475 475 PRO CB C 475 31.696 31.696 31.986 -0.290 19771 6378 1 26 . 1 1 476 476 LEU N N 476 123.672 123.672 122.878 0.794 19771 6379 1 26 . 1 1 476 476 LEU CB C 476 44.146 44.146 46.225 -2.079 19771 6380 1 26 . 1 1 476 476 LEU H H 476 8.843 8.843 8.130 0.713 19771 6381 1 26 . 1 1 477 477 MET N N 477 122.428 122.428 120.426 2.002 19771 6382 1 26 . 1 1 477 477 MET HA H 477 4.918 4.918 4.759 0.159 19771 6383 1 26 . 1 1 477 477 MET CA C 477 54.604 54.604 56.515 -1.911 19771 6384 1 26 . 1 1 477 477 MET CB C 477 34.225 34.225 33.661 0.564 19771 6385 1 26 . 1 1 477 477 MET H H 477 8.564 8.564 8.560 0.004 19771 6386 1 26 . 1 1 478 478 ARG N N 478 123.419 123.419 119.726 3.693 19771 6387 1 26 . 1 1 478 478 ARG CB C 478 32.024 32.024 32.184 -0.160 19771 6388 1 26 . 1 1 478 478 ARG H H 478 8.825 8.825 7.838 0.987 19771 6389 1 26 . 1 1 481 481 LYS N N 481 122.000 122.000 120.021 1.979 19771 6390 1 26 . 1 1 481 481 LYS H H 481 8.284 8.284 8.502 -0.218 19771 6391 1 26 . 1 1 482 482 ASN N N 482 119.466 119.466 118.704 0.762 19771 6392 1 26 . 1 1 482 482 ASN H H 482 8.379 8.379 8.535 -0.156 19771 6393 1 26 . 1 1 483 483 ARG N N 483 121.400 121.400 119.304 2.096 19771 6394 1 26 . 1 1 483 483 ARG H H 483 8.302 8.302 8.437 -0.135 19771 6395 1 26 . 1 1 485 485 SER N N 485 115.800 115.800 115.067 0.733 19771 6396 1 26 . 1 1 485 485 SER H H 485 8.112 8.112 8.312 -0.200 19771 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 51 3.300 -1.455 2.991 19771 2 1 1 "Average Difference" HA 51 0.441 0.150 0.419 19771 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19771 4 1 1 "Average Difference" CA 48 1.563 -0.532 1.485 19771 5 1 1 "Average Difference" CB 49 1.760 -0.423 1.726 19771 6 1 1 "Average Difference" HN 51 0.694 -0.112 0.691 19771 7 1 2 "Average Difference" N 51 3.242 -1.331 2.985 19771 8 1 2 "Average Difference" HA 51 0.458 0.155 0.435 19771 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19771 10 1 2 "Average Difference" CA 48 1.530 -0.642 1.403 19771 11 1 2 "Average Difference" CB 49 1.794 -0.120 1.808 19771 12 1 2 "Average Difference" HN 51 0.688 -0.206 0.663 19771 13 1 3 "Average Difference" N 51 3.290 -0.995 3.167 19771 14 1 3 "Average Difference" HA 51 0.461 0.177 0.429 19771 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19771 16 1 3 "Average Difference" CA 48 1.574 -0.770 1.388 19771 17 1 3 "Average Difference" CB 49 1.842 -0.102 1.858 19771 18 1 3 "Average Difference" HN 51 0.672 -0.172 0.656 19771 19 1 4 "Average Difference" N 51 3.578 -1.544 3.260 19771 20 1 4 "Average Difference" HA 51 0.460 0.155 0.437 19771 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19771 22 1 4 "Average Difference" CA 48 1.404 -0.640 1.263 19771 23 1 4 "Average Difference" CB 49 1.848 -0.108 1.863 19771 24 1 4 "Average Difference" HN 51 0.695 -0.190 0.675 19771 25 1 5 "Average Difference" N 51 3.565 -1.324 3.343 19771 26 1 5 "Average Difference" HA 51 0.469 0.192 0.432 19771 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19771 28 1 5 "Average Difference" CA 48 1.584 -0.816 1.372 19771 29 1 5 "Average Difference" CB 49 1.936 -0.269 1.937 19771 30 1 5 "Average Difference" HN 51 0.695 -0.104 0.694 19771 31 1 6 "Average Difference" N 51 3.723 -1.713 3.338 19771 32 1 6 "Average Difference" HA 51 0.507 0.178 0.479 19771 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19771 34 1 6 "Average Difference" CA 48 1.557 -0.763 1.371 19771 35 1 6 "Average Difference" CB 49 1.782 -0.091 1.798 19771 36 1 6 "Average Difference" HN 51 0.628 -0.191 0.604 19771 37 1 7 "Average Difference" N 51 3.109 -1.102 2.936 19771 38 1 7 "Average Difference" HA 51 0.441 0.136 0.423 19771 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19771 40 1 7 "Average Difference" CA 48 1.344 -0.685 1.169 19771 41 1 7 "Average Difference" CB 49 1.893 -0.315 1.886 19771 42 1 7 "Average Difference" HN 51 0.671 -0.168 0.657 19771 43 1 8 "Average Difference" N 51 3.246 -1.441 2.938 19771 44 1 8 "Average Difference" HA 51 0.481 0.128 0.469 19771 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19771 46 1 8 "Average Difference" CA 48 1.369 -0.569 1.258 19771 47 1 8 "Average Difference" CB 49 1.748 -0.370 1.726 19771 48 1 8 "Average Difference" HN 51 0.662 -0.234 0.625 19771 49 1 9 "Average Difference" N 51 3.387 -1.355 3.135 19771 50 1 9 "Average Difference" HA 51 0.477 0.179 0.447 19771 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19771 52 1 9 "Average Difference" CA 48 1.591 -0.707 1.441 19771 53 1 9 "Average Difference" CB 49 1.859 -0.019 1.878 19771 54 1 9 "Average Difference" HN 51 0.624 -0.147 0.612 19771 55 1 10 "Average Difference" N 51 3.550 -1.525 3.238 19771 56 1 10 "Average Difference" HA 51 0.456 0.151 0.435 19771 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19771 58 1 10 "Average Difference" CA 48 1.620 -0.715 1.469 19771 59 1 10 "Average Difference" CB 49 1.842 -0.301 1.836 19771 60 1 10 "Average Difference" HN 51 0.700 -0.219 0.671 19771 61 1 11 "Average Difference" N 51 3.502 -1.617 3.138 19771 62 1 11 "Average Difference" HA 51 0.450 0.157 0.426 19771 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19771 64 1 11 "Average Difference" CA 48 1.507 -0.694 1.352 19771 65 1 11 "Average Difference" CB 49 1.879 -0.084 1.897 19771 66 1 11 "Average Difference" HN 51 0.707 -0.218 0.679 19771 67 1 12 "Average Difference" N 51 3.561 -1.302 3.347 19771 68 1 12 "Average Difference" HA 51 0.447 0.129 0.432 19771 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19771 70 1 12 "Average Difference" CA 48 1.645 -0.777 1.466 19771 71 1 12 "Average Difference" CB 49 1.983 -0.436 1.955 19771 72 1 12 "Average Difference" HN 51 0.676 -0.218 0.646 19771 73 1 13 "Average Difference" N 51 3.228 -1.487 2.894 19771 74 1 13 "Average Difference" HA 51 0.452 0.178 0.419 19771 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19771 76 1 13 "Average Difference" CA 48 1.614 -0.893 1.358 19771 77 1 13 "Average Difference" CB 49 1.871 -0.250 1.873 19771 78 1 13 "Average Difference" HN 51 0.632 -0.188 0.609 19771 79 1 14 "Average Difference" N 51 3.328 -1.474 3.014 19771 80 1 14 "Average Difference" HA 51 0.451 0.164 0.425 19771 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19771 82 1 14 "Average Difference" CA 48 1.475 -0.642 1.341 19771 83 1 14 "Average Difference" CB 49 1.915 -0.541 1.856 19771 84 1 14 "Average Difference" HN 51 0.702 -0.204 0.679 19771 85 1 15 "Average Difference" N 51 3.640 -1.724 3.237 19771 86 1 15 "Average Difference" HA 51 0.453 0.180 0.420 19771 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19771 88 1 15 "Average Difference" CA 48 1.632 -0.765 1.457 19771 89 1 15 "Average Difference" CB 49 1.900 -0.480 1.858 19771 90 1 15 "Average Difference" HN 51 0.629 -0.178 0.609 19771 91 1 16 "Average Difference" N 51 3.483 -1.649 3.098 19771 92 1 16 "Average Difference" HA 51 0.472 0.118 0.461 19771 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19771 94 1 16 "Average Difference" CA 48 1.769 -0.777 1.606 19771 95 1 16 "Average Difference" CB 49 2.036 -0.584 1.971 19771 96 1 16 "Average Difference" HN 51 0.673 -0.200 0.649 19771 97 1 17 "Average Difference" N 51 3.291 -1.253 3.074 19771 98 1 17 "Average Difference" HA 51 0.471 0.146 0.452 19771 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19771 100 1 17 "Average Difference" CA 48 1.528 -0.712 1.366 19771 101 1 17 "Average Difference" CB 49 1.786 -0.235 1.788 19771 102 1 17 "Average Difference" HN 51 0.657 -0.215 0.627 19771 103 1 18 "Average Difference" N 51 3.358 -1.243 3.150 19771 104 1 18 "Average Difference" HA 51 0.438 0.154 0.414 19771 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19771 106 1 18 "Average Difference" CA 48 1.589 -0.616 1.480 19771 107 1 18 "Average Difference" CB 49 1.858 -0.431 1.826 19771 108 1 18 "Average Difference" HN 51 0.674 -0.160 0.661 19771 109 1 19 "Average Difference" N 51 3.579 -1.542 3.262 19771 110 1 19 "Average Difference" HA 51 0.483 0.201 0.443 19771 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19771 112 1 19 "Average Difference" CA 48 1.477 -0.668 1.332 19771 113 1 19 "Average Difference" CB 49 1.774 -0.248 1.775 19771 114 1 19 "Average Difference" HN 51 0.713 -0.146 0.704 19771 115 1 20 "Average Difference" N 51 3.488 -1.451 3.204 19771 116 1 20 "Average Difference" HA 51 0.466 0.118 0.455 19771 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19771 118 1 20 "Average Difference" CA 48 1.589 -0.550 1.507 19771 119 1 20 "Average Difference" CB 49 1.715 -0.350 1.697 19771 120 1 20 "Average Difference" HN 51 0.658 -0.153 0.646 19771 121 1 21 "Average Difference" N 51 3.470 -1.560 3.131 19771 122 1 21 "Average Difference" HA 51 0.449 0.150 0.427 19771 123 1 21 "Average Difference" C 0 0.000 0.000 0.000 19771 124 1 21 "Average Difference" CA 48 1.389 -0.612 1.260 19771 125 1 21 "Average Difference" CB 49 1.864 -0.228 1.869 19771 126 1 21 "Average Difference" HN 51 0.702 -0.201 0.679 19771 127 1 22 "Average Difference" N 51 3.427 -1.559 3.083 19771 128 1 22 "Average Difference" HA 51 0.493 0.199 0.455 19771 129 1 22 "Average Difference" C 0 0.000 0.000 0.000 19771 130 1 22 "Average Difference" CA 48 1.685 -0.707 1.546 19771 131 1 22 "Average Difference" CB 49 1.758 -0.081 1.774 19771 132 1 22 "Average Difference" HN 51 0.697 -0.131 0.692 19771 133 1 23 "Average Difference" N 51 3.669 -1.721 3.273 19771 134 1 23 "Average Difference" HA 51 0.489 0.199 0.452 19771 135 1 23 "Average Difference" C 0 0.000 0.000 0.000 19771 136 1 23 "Average Difference" CA 48 1.515 -0.765 1.322 19771 137 1 23 "Average Difference" CB 49 1.634 -0.021 1.651 19771 138 1 23 "Average Difference" HN 51 0.716 -0.162 0.704 19771 139 1 24 "Average Difference" N 51 3.370 -1.502 3.047 19771 140 1 24 "Average Difference" HA 51 0.476 0.185 0.443 19771 141 1 24 "Average Difference" C 0 0.000 0.000 0.000 19771 142 1 24 "Average Difference" CA 48 1.530 -0.689 1.381 19771 143 1 24 "Average Difference" CB 49 1.839 -0.075 1.856 19771 144 1 24 "Average Difference" HN 51 0.706 -0.138 0.699 19771 145 1 25 "Average Difference" N 51 3.727 -1.664 3.369 19771 146 1 25 "Average Difference" HA 51 0.465 0.171 0.437 19771 147 1 25 "Average Difference" C 0 0.000 0.000 0.000 19771 148 1 25 "Average Difference" CA 48 1.514 -0.778 1.313 19771 149 1 25 "Average Difference" CB 49 1.799 -0.365 1.780 19771 150 1 25 "Average Difference" HN 51 0.613 -0.131 0.605 19771 151 1 26 "Average Difference" N 51 3.680 -1.711 3.291 19771 152 1 26 "Average Difference" HA 51 0.481 0.170 0.454 19771 153 1 26 "Average Difference" C 0 0.000 0.000 0.000 19771 154 1 26 "Average Difference" CA 48 1.619 -0.731 1.459 19771 155 1 26 "Average Difference" CB 49 1.692 -0.124 1.705 19771 156 1 26 "Average Difference" HN 51 0.668 -0.213 0.640 19771 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 19771 _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 1 427 427 ASP N N 427 125.779 125.779 123.931 1.848 19771 2 1 . 1 1 427 427 ASP HA H 427 4.829 4.829 5.009 -0.180 19771 3 1 . 1 1 427 427 ASP CA C 427 52.150 52.150 52.913 -0.763 19771 4 1 . 1 1 427 427 ASP CB C 427 41.537 41.537 42.837 -1.300 19771 5 1 . 1 1 427 427 ASP H H 427 8.293 8.293 8.538 -0.245 19771 6 1 . 1 1 428 428 PRO HA H 428 4.229 4.229 4.412 -0.183 19771 7 1 . 1 1 428 428 PRO CA C 428 63.337 63.337 63.179 0.158 19771 8 1 . 1 1 428 428 PRO CB C 428 32.019 32.019 32.289 -0.270 19771 9 1 . 1 1 429 429 TYR N N 429 119.152 119.152 118.020 1.132 19771 10 1 . 1 1 429 429 TYR HA H 429 4.421 4.421 4.543 -0.122 19771 11 1 . 1 1 429 429 TYR CA C 429 57.961 57.961 57.931 0.030 19771 12 1 . 1 1 429 429 TYR CB C 429 37.968 37.968 39.108 -1.140 19771 13 1 . 1 1 429 429 TYR H H 429 8.136 8.136 8.080 0.056 19771 14 1 . 1 1 430 430 LEU N N 430 122.733 122.733 121.006 1.727 19771 15 1 . 1 1 430 430 LEU HA H 430 4.205 4.205 4.468 -0.263 19771 16 1 . 1 1 430 430 LEU CA C 430 54.950 54.950 54.633 0.317 19771 17 1 . 1 1 430 430 LEU CB C 430 42.474 42.474 43.724 -1.250 19771 18 1 . 1 1 430 430 LEU H H 430 7.596 7.596 7.732 -0.136 19771 19 1 . 1 1 431 431 GLU N N 431 120.614 120.614 119.628 0.986 19771 20 1 . 1 1 431 431 GLU H H 431 8.157 8.157 8.241 -0.084 19771 21 1 . 1 1 432 432 ASP HA H 432 4.387 4.387 4.634 -0.247 19771 22 1 . 1 1 432 432 ASP CA C 432 54.365 54.365 54.306 0.059 19771 23 1 . 1 1 432 432 ASP CB C 432 41.027 41.027 41.590 -0.563 19771 24 1 . 1 1 433 433 SER N N 433 116.511 116.511 114.136 2.375 19771 25 1 . 1 1 433 433 SER HA H 433 4.222 4.222 4.072 0.150 19771 26 1 . 1 1 433 433 SER CA C 433 57.811 57.811 57.988 -0.177 19771 27 1 . 1 1 433 433 SER CB C 433 64.342 64.342 63.394 0.948 19771 28 1 . 1 1 433 433 SER H H 433 7.926 7.926 7.966 -0.040 19771 29 1 . 1 1 434 434 LEU N N 434 124.239 124.239 122.237 2.002 19771 30 1 . 1 1 434 434 LEU HA H 434 4.301 4.301 4.288 0.013 19771 31 1 . 1 1 434 434 LEU CA C 434 54.780 54.780 55.101 -0.321 19771 32 1 . 1 1 434 434 LEU CB C 434 43.682 43.682 43.239 0.443 19771 33 1 . 1 1 434 434 LEU H H 434 8.161 8.161 7.447 0.714 19771 34 1 . 1 1 435 435 CYS N N 435 121.658 121.658 122.927 -1.269 19771 35 1 . 1 1 435 435 CYS HA H 435 3.767 3.767 4.343 -0.576 19771 36 1 . 1 1 435 435 CYS CA C 435 60.505 60.505 59.642 0.863 19771 37 1 . 1 1 435 435 CYS CB C 435 31.833 31.833 27.652 4.181 19771 38 1 . 1 1 435 435 CYS H H 435 8.341 8.341 8.178 0.163 19771 39 1 . 1 1 436 436 HIS N N 436 129.654 129.654 127.323 2.331 19771 40 1 . 1 1 436 436 HIS HA H 436 4.436 4.436 4.574 -0.138 19771 41 1 . 1 1 436 436 HIS CA C 436 58.775 58.775 57.521 1.255 19771 42 1 . 1 1 436 436 HIS CB C 436 32.431 32.431 30.152 2.279 19771 43 1 . 1 1 436 436 HIS H H 436 9.087 9.087 8.615 0.472 19771 44 1 . 1 1 437 437 ILE N N 437 121.647 121.647 117.670 3.977 19771 45 1 . 1 1 437 437 ILE HA H 437 4.122 4.122 4.311 -0.189 19771 46 1 . 1 1 437 437 ILE CA C 437 61.632 61.632 61.729 -0.097 19771 47 1 . 1 1 437 437 ILE CB C 437 35.149 35.149 39.405 -4.256 19771 48 1 . 1 1 437 437 ILE H H 437 9.294 9.294 7.879 1.415 19771 49 1 . 1 1 438 438 CYS N N 438 118.756 118.756 116.392 2.364 19771 50 1 . 1 1 438 438 CYS HA H 438 4.719 4.719 4.801 -0.082 19771 51 1 . 1 1 438 438 CYS CB C 438 31.931 31.931 29.557 2.374 19771 52 1 . 1 1 438 438 CYS H H 438 8.503 8.503 7.930 0.573 19771 53 1 . 1 1 439 439 SER N N 439 116.341 116.341 116.034 0.307 19771 54 1 . 1 1 439 439 SER HA H 439 4.348 4.348 4.139 0.209 19771 55 1 . 1 1 439 439 SER CA C 439 60.131 60.131 59.722 0.409 19771 56 1 . 1 1 439 439 SER CB C 439 62.642 62.642 61.398 1.244 19771 57 1 . 1 1 439 439 SER H H 439 7.561 7.561 8.329 -0.768 19771 58 1 . 1 1 440 440 SER N N 440 113.455 113.455 114.016 -0.561 19771 59 1 . 1 1 440 440 SER HA H 440 4.777 4.777 4.461 0.316 19771 60 1 . 1 1 440 440 SER CA C 440 58.703 58.703 59.279 -0.576 19771 61 1 . 1 1 440 440 SER CB C 440 65.681 65.681 64.009 1.672 19771 62 1 . 1 1 440 440 SER H H 440 8.272 8.272 8.173 0.099 19771 63 1 . 1 1 441 441 GLN N N 441 118.674 118.674 118.420 0.254 19771 64 1 . 1 1 441 441 GLN HA H 441 4.865 4.865 4.749 0.116 19771 65 1 . 1 1 441 441 GLN CA C 441 52.802 52.802 52.987 -0.185 19771 66 1 . 1 1 441 441 GLN CB C 441 30.560 30.560 29.305 1.255 19771 67 1 . 1 1 441 441 GLN H H 441 7.355 7.355 7.637 -0.282 19771 68 1 . 1 1 442 442 PRO HA H 442 4.349 4.349 4.338 0.011 19771 69 1 . 1 1 442 442 PRO CA C 442 63.693 63.693 63.201 0.492 19771 70 1 . 1 1 442 442 PRO CB C 442 32.549 32.549 31.299 1.250 19771 71 1 . 1 1 443 443 GLY N N 443 110.126 110.126 108.475 1.651 19771 72 1 . 1 1 443 443 GLY CA C 443 46.097 46.097 44.471 1.626 19771 73 1 . 1 1 443 443 GLY H H 443 8.819 8.819 7.906 0.913 19771 74 1 . 1 1 444 444 PRO HA H 444 4.387 4.387 4.195 0.192 19771 75 1 . 1 1 444 444 PRO CA C 444 63.025 63.025 63.730 -0.705 19771 76 1 . 1 1 444 444 PRO CB C 444 32.737 32.737 31.733 1.004 19771 77 1 . 1 1 445 445 PHE N N 445 116.262 116.262 116.867 -0.605 19771 78 1 . 1 1 445 445 PHE HA H 445 4.962 4.962 5.224 -0.262 19771 79 1 . 1 1 445 445 PHE CA C 445 56.014 56.014 56.272 -0.259 19771 80 1 . 1 1 445 445 PHE CB C 445 40.028 40.028 42.818 -2.790 19771 81 1 . 1 1 445 445 PHE H H 445 8.066 8.066 7.829 0.237 19771 82 1 . 1 1 446 446 PHE N N 446 126.081 126.081 121.055 5.026 19771 83 1 . 1 1 446 446 PHE HA H 446 5.050 5.050 5.387 -0.337 19771 84 1 . 1 1 446 446 PHE CA C 446 56.775 56.775 56.582 0.193 19771 85 1 . 1 1 446 446 PHE CB C 446 41.731 41.731 43.208 -1.477 19771 86 1 . 1 1 446 446 PHE H H 446 9.446 9.446 8.544 0.902 19771 87 1 . 1 1 447 447 CYS N N 447 128.746 128.746 124.156 4.590 19771 88 1 . 1 1 447 447 CYS HA H 447 4.874 4.874 4.996 -0.122 19771 89 1 . 1 1 447 447 CYS CA C 447 58.263 58.263 57.005 1.258 19771 90 1 . 1 1 447 447 CYS CB C 447 30.994 30.994 30.343 0.651 19771 91 1 . 1 1 447 447 CYS H H 447 7.729 7.729 7.702 0.027 19771 92 1 . 1 1 448 448 ARG N N 448 125.530 125.530 125.022 0.508 19771 93 1 . 1 1 448 448 ARG HA H 448 4.080 4.080 4.659 -0.580 19771 94 1 . 1 1 448 448 ARG CA C 448 55.854 55.854 55.897 -0.043 19771 95 1 . 1 1 448 448 ARG CB C 448 31.200 31.200 30.689 0.511 19771 96 1 . 1 1 448 448 ARG H H 448 8.783 8.783 8.718 0.065 19771 97 1 . 1 1 449 449 ASP N N 449 123.969 123.969 121.285 2.684 19771 98 1 . 1 1 449 449 ASP HA H 449 4.155 4.155 4.674 -0.519 19771 99 1 . 1 1 449 449 ASP CA C 449 56.118 56.118 53.608 2.510 19771 100 1 . 1 1 449 449 ASP CB C 449 43.634 43.634 42.473 1.161 19771 101 1 . 1 1 449 449 ASP H H 449 8.117 8.117 7.714 0.403 19771 102 1 . 1 1 450 450 GLN N N 450 125.410 125.410 120.172 5.238 19771 103 1 . 1 1 450 450 GLN HA H 450 3.832 3.832 4.136 -0.304 19771 104 1 . 1 1 450 450 GLN CA C 450 59.127 59.127 58.127 1.000 19771 105 1 . 1 1 450 450 GLN CB C 450 28.699 28.699 28.535 0.164 19771 106 1 . 1 1 450 450 GLN H H 450 8.670 8.670 8.801 -0.131 19771 107 1 . 1 1 451 451 VAL N N 451 113.164 113.164 111.584 1.580 19771 108 1 . 1 1 451 451 VAL HA H 451 4.240 4.240 4.329 -0.089 19771 109 1 . 1 1 451 451 VAL CA C 451 63.199 63.199 61.862 1.337 19771 110 1 . 1 1 451 451 VAL CB C 451 31.439 31.439 32.471 -1.032 19771 111 1 . 1 1 451 451 VAL H H 451 8.591 8.591 7.733 0.858 19771 112 1 . 1 1 452 452 CYS N N 452 120.986 120.986 117.340 3.646 19771 113 1 . 1 1 452 452 CYS HA H 452 4.502 4.502 4.908 -0.406 19771 114 1 . 1 1 452 452 CYS CA C 452 60.474 60.474 58.287 2.187 19771 115 1 . 1 1 452 452 CYS CB C 452 31.715 31.715 28.440 3.276 19771 116 1 . 1 1 452 452 CYS H H 452 7.963 7.963 7.530 0.433 19771 117 1 . 1 1 453 453 PHE N N 453 129.406 129.406 121.156 8.249 19771 118 1 . 1 1 453 453 PHE HA H 453 4.121 4.121 4.527 -0.406 19771 119 1 . 1 1 453 453 PHE CA C 453 59.700 59.700 57.901 1.799 19771 120 1 . 1 1 453 453 PHE CB C 453 38.328 38.328 38.175 0.153 19771 121 1 . 1 1 453 453 PHE H H 453 7.880 7.880 8.444 -0.564 19771 122 1 . 1 1 454 454 LYS N N 454 113.628 113.628 117.553 -3.925 19771 123 1 . 1 1 454 454 LYS HA H 454 4.423 4.423 4.387 0.036 19771 124 1 . 1 1 454 454 LYS CA C 454 54.050 54.050 53.639 0.411 19771 125 1 . 1 1 454 454 LYS CB C 454 37.833 37.833 36.166 1.668 19771 126 1 . 1 1 454 454 LYS H H 454 6.384 6.384 7.323 -0.939 19771 127 1 . 1 1 455 455 TYR N N 455 117.756 117.756 117.308 0.448 19771 128 1 . 1 1 455 455 TYR HA H 455 5.111 5.111 5.002 0.109 19771 129 1 . 1 1 455 455 TYR CA C 455 58.616 58.616 58.914 -0.298 19771 130 1 . 1 1 455 455 TYR CB C 455 39.956 39.956 39.661 0.295 19771 131 1 . 1 1 455 455 TYR H H 455 7.100 7.100 8.121 -1.021 19771 132 1 . 1 1 456 456 PHE N N 456 117.529 117.529 117.449 0.080 19771 133 1 . 1 1 456 456 PHE HA H 456 6.342 6.342 5.112 1.230 19771 134 1 . 1 1 456 456 PHE CA C 456 57.017 57.017 56.772 0.245 19771 135 1 . 1 1 456 456 PHE CB C 456 45.138 45.138 44.184 0.954 19771 136 1 . 1 1 456 456 PHE H H 456 9.527 9.527 9.096 0.431 19771 137 1 . 1 1 457 457 CYS N N 457 119.575 119.575 116.922 2.652 19771 138 1 . 1 1 457 457 CYS HA H 457 5.435 5.435 5.245 0.190 19771 139 1 . 1 1 457 457 CYS CA C 457 58.044 58.044 56.309 1.735 19771 140 1 . 1 1 457 457 CYS CB C 457 32.277 32.277 31.305 0.972 19771 141 1 . 1 1 457 457 CYS H H 457 9.710 9.710 8.923 0.787 19771 142 1 . 1 1 458 458 ARG N N 458 120.479 120.479 121.094 -0.615 19771 143 1 . 1 1 458 458 ARG HA H 458 3.750 3.750 3.838 -0.088 19771 144 1 . 1 1 458 458 ARG CA C 458 60.863 60.863 59.679 1.184 19771 145 1 . 1 1 458 458 ARG CB C 458 30.407 30.407 29.928 0.479 19771 146 1 . 1 1 458 458 ARG H H 458 9.300 9.300 8.991 0.309 19771 147 1 . 1 1 459 459 SER N N 459 114.502 114.502 114.135 0.367 19771 148 1 . 1 1 459 459 SER HA H 459 4.424 4.424 4.040 0.384 19771 149 1 . 1 1 459 459 SER CA C 459 62.116 62.116 60.943 1.173 19771 150 1 . 1 1 459 459 SER CB C 459 62.828 62.828 62.967 -0.139 19771 151 1 . 1 1 459 459 SER H H 459 8.482 8.482 8.174 0.308 19771 152 1 . 1 1 460 460 CYS N N 460 126.957 126.957 117.587 9.370 19771 153 1 . 1 1 460 460 CYS HA H 460 4.402 4.402 4.193 0.209 19771 154 1 . 1 1 460 460 CYS CA C 460 65.041 65.041 58.685 6.356 19771 155 1 . 1 1 460 460 CYS CB C 460 30.694 30.694 26.487 4.207 19771 156 1 . 1 1 460 460 CYS H H 460 9.474 9.474 7.484 1.990 19771 157 1 . 1 1 461 461 TRP N N 461 121.032 121.032 123.612 -2.580 19771 158 1 . 1 1 461 461 TRP HA H 461 3.259 3.259 4.050 -0.791 19771 159 1 . 1 1 461 461 TRP CA C 461 62.794 62.794 60.833 1.961 19771 160 1 . 1 1 461 461 TRP CB C 461 27.672 27.672 28.943 -1.271 19771 161 1 . 1 1 461 461 TRP H H 461 9.553 9.553 8.537 1.016 19771 162 1 . 1 1 462 462 HIS N N 462 119.358 119.358 115.224 4.134 19771 163 1 . 1 1 462 462 HIS HA H 462 4.280 4.280 4.505 -0.226 19771 164 1 . 1 1 462 462 HIS CA C 462 59.828 59.828 58.976 0.852 19771 165 1 . 1 1 462 462 HIS CB C 462 30.330 30.330 29.335 0.995 19771 166 1 . 1 1 462 462 HIS H H 462 8.007 8.007 7.438 0.569 19771 167 1 . 1 1 463 463 TRP N N 463 121.005 121.005 118.395 2.610 19771 168 1 . 1 1 463 463 TRP HA H 463 4.179 4.179 4.603 -0.424 19771 169 1 . 1 1 463 463 TRP CA C 463 60.915 60.915 58.562 2.353 19771 170 1 . 1 1 463 463 TRP CB C 463 28.556 28.556 28.729 -0.173 19771 171 1 . 1 1 463 463 TRP H H 463 8.146 8.146 7.480 0.666 19771 172 1 . 1 1 464 464 ARG N N 464 117.937 117.937 115.710 2.227 19771 173 1 . 1 1 464 464 ARG HA H 464 3.160 3.160 4.190 -1.030 19771 174 1 . 1 1 464 464 ARG CA C 464 57.153 57.153 55.674 1.479 19771 175 1 . 1 1 464 464 ARG CB C 464 29.998 29.998 30.432 -0.434 19771 176 1 . 1 1 464 464 ARG H H 464 8.136 8.136 7.214 0.922 19771 177 1 . 1 1 465 465 HIS N N 465 109.139 109.139 116.139 -7.000 19771 178 1 . 1 1 465 465 HIS HA H 465 3.729 3.729 4.500 -0.771 19771 179 1 . 1 1 465 465 HIS CA C 465 58.797 58.797 55.685 3.112 19771 180 1 . 1 1 465 465 HIS CB C 465 25.377 25.377 30.372 -4.995 19771 181 1 . 1 1 465 465 HIS H H 465 7.359 7.359 7.711 -0.351 19771 182 1 . 1 1 466 466 SER N N 466 112.123 112.123 115.557 -3.434 19771 183 1 . 1 1 466 466 SER HA H 466 4.273 4.273 4.333 -0.060 19771 184 1 . 1 1 466 466 SER CA C 466 58.999 58.999 59.628 -0.629 19771 185 1 . 1 1 466 466 SER CB C 466 63.431 63.431 63.355 0.076 19771 186 1 . 1 1 466 466 SER H H 466 6.897 6.897 7.986 -1.089 19771 187 1 . 1 1 467 467 MET N N 467 121.282 121.282 118.771 2.511 19771 188 1 . 1 1 467 467 MET HA H 467 4.133 4.133 4.696 -0.563 19771 189 1 . 1 1 467 467 MET CA C 467 55.435 55.435 55.438 -0.003 19771 190 1 . 1 1 467 467 MET CB C 467 33.206 33.206 34.078 -0.872 19771 191 1 . 1 1 467 467 MET H H 467 6.766 6.766 7.452 -0.686 19771 192 1 . 1 1 468 468 GLU N N 468 122.864 122.864 121.557 1.307 19771 193 1 . 1 1 468 468 GLU HA H 468 3.754 3.754 4.150 -0.396 19771 194 1 . 1 1 468 468 GLU CA C 468 58.708 58.708 58.163 0.545 19771 195 1 . 1 1 468 468 GLU CB C 468 29.457 29.457 28.864 0.593 19771 196 1 . 1 1 468 468 GLU H H 468 8.455 8.455 8.877 -0.422 19771 197 1 . 1 1 469 469 GLY N N 469 112.643 112.643 106.382 6.261 19771 198 1 . 1 1 469 469 GLY CA C 469 45.398 45.398 45.685 -0.287 19771 199 1 . 1 1 469 469 GLY H H 469 8.893 8.893 8.097 0.796 19771 200 1 . 1 1 470 470 LEU N N 470 118.167 118.167 118.309 -0.142 19771 201 1 . 1 1 470 470 LEU HA H 470 3.862 3.862 4.333 -0.471 19771 202 1 . 1 1 470 470 LEU CA C 470 54.284 54.284 53.517 0.767 19771 203 1 . 1 1 470 470 LEU CB C 470 42.923 42.923 41.939 0.984 19771 204 1 . 1 1 470 470 LEU H H 470 7.642 7.642 7.382 0.260 19771 205 1 . 1 1 471 471 ARG N N 471 115.958 115.958 119.157 -3.199 19771 206 1 . 1 1 471 471 ARG HA H 471 4.328 4.328 4.140 0.188 19771 207 1 . 1 1 471 471 ARG CA C 471 58.357 58.357 57.588 0.769 19771 208 1 . 1 1 471 471 ARG CB C 471 30.183 30.183 29.648 0.535 19771 209 1 . 1 1 471 471 ARG H H 471 7.256 7.256 7.810 -0.554 19771 210 1 . 1 1 472 472 HIS N N 472 113.710 113.710 113.511 0.199 19771 211 1 . 1 1 472 472 HIS HA H 472 4.635 4.635 4.694 -0.059 19771 212 1 . 1 1 472 472 HIS CA C 472 56.199 56.199 55.393 0.806 19771 213 1 . 1 1 472 472 HIS CB C 472 30.157 30.157 29.287 0.869 19771 214 1 . 1 1 472 472 HIS H H 472 8.410 8.410 7.986 0.424 19771 215 1 . 1 1 473 473 HIS N N 473 122.456 122.456 120.656 1.800 19771 216 1 . 1 1 473 473 HIS HA H 473 4.418 4.418 4.444 -0.026 19771 217 1 . 1 1 473 473 HIS CA C 473 55.485 55.485 56.189 -0.704 19771 218 1 . 1 1 473 473 HIS CB C 473 31.291 31.291 30.498 0.793 19771 219 1 . 1 1 473 473 HIS H H 473 6.899 6.899 7.179 -0.281 19771 220 1 . 1 1 474 474 SER N N 474 117.590 117.590 116.482 1.108 19771 221 1 . 1 1 474 474 SER HA H 474 5.065 5.065 4.917 0.148 19771 222 1 . 1 1 474 474 SER CA C 474 55.164 55.164 55.726 -0.562 19771 223 1 . 1 1 474 474 SER CB C 474 64.749 64.749 65.248 -0.499 19771 224 1 . 1 1 474 474 SER H H 474 8.600 8.600 8.499 0.101 19771 225 1 . 1 1 475 475 PRO HA H 475 4.258 4.258 4.465 -0.207 19771 226 1 . 1 1 475 475 PRO CA C 475 62.975 62.975 62.614 0.361 19771 227 1 . 1 1 475 475 PRO CB C 475 31.696 31.696 31.992 -0.296 19771 228 1 . 1 1 476 476 LEU N N 476 123.672 123.672 122.671 1.001 19771 229 1 . 1 1 476 476 LEU CB C 476 44.146 44.146 45.572 -1.426 19771 230 1 . 1 1 476 476 LEU H H 476 8.843 8.843 8.387 0.456 19771 231 1 . 1 1 477 477 MET N N 477 122.428 122.428 119.451 2.977 19771 232 1 . 1 1 477 477 MET HA H 477 4.918 4.918 4.851 0.067 19771 233 1 . 1 1 477 477 MET CA C 477 54.604 54.604 54.970 -0.366 19771 234 1 . 1 1 477 477 MET CB C 477 34.225 34.225 34.528 -0.303 19771 235 1 . 1 1 477 477 MET H H 477 8.564 8.564 8.465 0.099 19771 236 1 . 1 1 478 478 ARG N N 478 123.419 123.419 120.851 2.568 19771 237 1 . 1 1 478 478 ARG CB C 478 32.024 32.024 30.993 1.031 19771 238 1 . 1 1 478 478 ARG H H 478 8.825 8.825 8.438 0.387 19771 239 1 . 1 1 481 481 LYS N N 481 122.000 122.000 120.136 1.864 19771 240 1 . 1 1 481 481 LYS H H 481 8.284 8.284 8.272 0.012 19771 241 1 . 1 1 482 482 ASN N N 482 119.466 119.466 118.669 0.797 19771 242 1 . 1 1 482 482 ASN H H 482 8.379 8.379 8.442 -0.063 19771 243 1 . 1 1 483 483 ARG N N 483 121.400 121.400 120.023 1.377 19771 244 1 . 1 1 483 483 ARG H H 483 8.302 8.302 8.397 -0.095 19771 245 1 . 1 1 485 485 SER N N 485 115.800 115.800 115.595 0.205 19771 246 1 . 1 1 485 485 SER H H 485 8.112 8.112 8.199 -0.087 19771 stop_ save_