data_25007 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25007 _Entry.PDB_ID 2MQ0 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 25007 _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 1 451 451 HIS HA H 451 4.656 4.656 4.749 -0.093 25007 2 1 1 . 1 1 451 451 HIS C C 451 174.793 174.793 174.264 0.529 25007 3 1 1 . 1 1 451 451 HIS CA C 451 55.947 55.947 55.410 0.537 25007 4 1 1 . 1 1 451 451 HIS CB C 451 29.903 29.903 29.975 -0.072 25007 5 1 1 . 1 1 452 452 MET N N 452 123.193 123.193 120.538 2.655 25007 6 1 1 . 1 1 452 452 MET C C 452 173.991 173.991 174.186 -0.195 25007 7 1 1 . 1 1 452 452 MET CA C 452 53.192 53.192 52.966 0.226 25007 8 1 1 . 1 1 452 452 MET CB C 452 31.977 31.977 32.692 -0.715 25007 9 1 1 . 1 1 452 452 MET H H 452 8.342 8.342 7.560 0.782 25007 10 1 1 . 1 1 453 453 PRO HA H 453 4.293 4.293 4.513 -0.220 25007 11 1 1 . 1 1 453 453 PRO C C 453 175.733 175.733 176.324 -0.591 25007 12 1 1 . 1 1 453 453 PRO CA C 453 62.734 62.734 62.191 0.543 25007 13 1 1 . 1 1 453 453 PRO CB C 453 32.139 32.139 32.583 -0.444 25007 14 1 1 . 1 1 454 454 VAL N N 454 122.227 122.227 123.368 -1.141 25007 15 1 1 . 1 1 454 454 VAL HA H 454 3.732 3.732 3.910 -0.178 25007 16 1 1 . 1 1 454 454 VAL C C 454 175.296 175.296 175.764 -0.468 25007 17 1 1 . 1 1 454 454 VAL CA C 454 63.126 63.126 62.502 0.624 25007 18 1 1 . 1 1 454 454 VAL CB C 454 32.085 32.085 31.839 0.246 25007 19 1 1 . 1 1 454 454 VAL H H 454 7.799 7.799 8.405 -0.606 25007 20 1 1 . 1 1 455 455 LEU N N 455 129.419 129.419 129.403 0.016 25007 21 1 1 . 1 1 455 455 LEU HA H 455 4.435 4.435 4.692 -0.257 25007 22 1 1 . 1 1 455 455 LEU C C 455 176.294 176.294 175.488 0.806 25007 23 1 1 . 1 1 455 455 LEU CA C 455 52.797 52.797 53.395 -0.598 25007 24 1 1 . 1 1 455 455 LEU CB C 455 43.631 43.631 44.870 -1.239 25007 25 1 1 . 1 1 455 455 LEU H H 455 8.571 8.571 8.516 0.055 25007 26 1 1 . 1 1 456 456 ILE N N 456 120.867 120.867 126.011 -5.144 25007 27 1 1 . 1 1 456 456 ILE HA H 456 4.229 4.229 4.437 -0.208 25007 28 1 1 . 1 1 456 456 ILE C C 456 176.619 176.619 176.607 0.012 25007 29 1 1 . 1 1 456 456 ILE CA C 456 60.780 60.780 61.654 -0.874 25007 30 1 1 . 1 1 456 456 ILE CB C 456 36.796 36.796 36.836 -0.039 25007 31 1 1 . 1 1 456 456 ILE H H 456 8.507 8.507 8.582 -0.075 25007 32 1 1 . 1 1 457 457 THR N N 457 120.915 120.915 120.097 0.818 25007 33 1 1 . 1 1 457 457 THR HA H 457 4.285 4.285 4.205 0.080 25007 34 1 1 . 1 1 457 457 THR C C 457 175.963 175.963 175.143 0.820 25007 35 1 1 . 1 1 457 457 THR CA C 457 62.753 62.753 63.571 -0.818 25007 36 1 1 . 1 1 457 457 THR CB C 457 67.879 67.879 69.437 -1.558 25007 37 1 1 . 1 1 457 457 THR H H 457 8.657 8.657 8.187 0.470 25007 38 1 1 . 1 1 458 458 ARG N N 458 122.699 122.699 123.392 -0.693 25007 39 1 1 . 1 1 458 458 ARG HA H 458 4.923 4.923 4.863 0.060 25007 40 1 1 . 1 1 458 458 ARG C C 458 173.213 173.213 173.753 -0.540 25007 41 1 1 . 1 1 458 458 ARG CA C 458 53.918 53.918 52.447 1.471 25007 42 1 1 . 1 1 458 458 ARG CB C 458 32.559 32.559 31.367 1.192 25007 43 1 1 . 1 1 458 458 ARG H H 458 7.552 7.552 7.524 0.028 25007 44 1 1 . 1 1 459 459 PRO HA H 459 4.298 4.298 4.388 -0.090 25007 45 1 1 . 1 1 459 459 PRO C C 459 175.741 175.741 176.485 -0.744 25007 46 1 1 . 1 1 459 459 PRO CA C 459 62.575 62.575 62.801 -0.226 25007 47 1 1 . 1 1 459 459 PRO CB C 459 32.551 32.551 32.292 0.259 25007 48 1 1 . 1 1 460 460 LEU N N 460 115.474 115.474 121.218 -5.744 25007 49 1 1 . 1 1 460 460 LEU HA H 460 4.563 4.563 4.423 0.140 25007 50 1 1 . 1 1 460 460 LEU C C 460 176.142 176.142 177.910 -1.768 25007 51 1 1 . 1 1 460 460 LEU CA C 460 55.013 55.013 54.461 0.552 25007 52 1 1 . 1 1 460 460 LEU CB C 460 45.292 45.292 43.087 2.205 25007 53 1 1 . 1 1 460 460 LEU H H 460 6.157 6.157 8.336 -2.179 25007 54 1 1 . 1 1 461 461 GLU N N 461 120.613 120.613 120.470 0.143 25007 55 1 1 . 1 1 461 461 GLU HA H 461 4.795 4.795 4.333 0.462 25007 56 1 1 . 1 1 461 461 GLU C C 461 175.540 175.540 175.772 -0.232 25007 57 1 1 . 1 1 461 461 GLU CA C 461 54.657 54.657 56.869 -2.212 25007 58 1 1 . 1 1 461 461 GLU CB C 461 32.600 32.600 30.366 2.234 25007 59 1 1 . 1 1 461 461 GLU H H 461 8.387 8.387 8.850 -0.463 25007 60 1 1 . 1 1 462 462 ASP N N 462 122.579 122.579 119.531 3.048 25007 61 1 1 . 1 1 462 462 ASP HA H 462 5.031 5.031 4.659 0.372 25007 62 1 1 . 1 1 462 462 ASP C C 462 176.359 176.359 175.582 0.777 25007 63 1 1 . 1 1 462 462 ASP CA C 462 55.433 55.433 53.915 1.518 25007 64 1 1 . 1 1 462 462 ASP CB C 462 41.069 41.069 41.501 -0.432 25007 65 1 1 . 1 1 462 462 ASP H H 462 8.599 8.599 8.442 0.157 25007 66 1 1 . 1 1 463 463 GLN N N 463 117.028 117.028 119.673 -2.645 25007 67 1 1 . 1 1 463 463 GLN HA H 463 4.667 4.667 4.459 0.208 25007 68 1 1 . 1 1 463 463 GLN C C 463 173.563 173.563 174.817 -1.254 25007 69 1 1 . 1 1 463 463 GLN CA C 463 54.227 54.227 54.816 -0.589 25007 70 1 1 . 1 1 463 463 GLN CB C 463 33.204 33.204 30.639 2.565 25007 71 1 1 . 1 1 463 463 GLN H H 463 8.755 8.755 7.726 1.029 25007 72 1 1 . 1 1 464 464 LEU N N 464 127.581 127.581 118.393 9.188 25007 73 1 1 . 1 1 464 464 LEU HA H 464 5.307 5.307 5.136 0.171 25007 74 1 1 . 1 1 464 464 LEU C C 464 175.838 175.838 175.892 -0.054 25007 75 1 1 . 1 1 464 464 LEU CA C 464 54.667 54.667 54.104 0.563 25007 76 1 1 . 1 1 464 464 LEU CB C 464 44.018 44.018 43.121 0.897 25007 77 1 1 . 1 1 464 464 LEU H H 464 8.415 8.415 8.271 0.144 25007 78 1 1 . 1 1 465 465 VAL N N 465 119.279 119.279 116.813 2.466 25007 79 1 1 . 1 1 465 465 VAL HA H 465 4.774 4.774 4.593 0.181 25007 80 1 1 . 1 1 465 465 VAL C C 465 173.711 173.711 174.563 -0.852 25007 81 1 1 . 1 1 465 465 VAL CA C 465 58.517 58.517 59.730 -1.213 25007 82 1 1 . 1 1 465 465 VAL CB C 465 36.110 36.110 35.452 0.658 25007 83 1 1 . 1 1 465 465 VAL H H 465 8.695 8.695 8.021 0.674 25007 84 1 1 . 1 1 466 466 MET N N 466 119.214 119.214 118.405 0.809 25007 85 1 1 . 1 1 466 466 MET HA H 466 5.247 5.247 5.161 0.086 25007 86 1 1 . 1 1 466 466 MET C C 466 176.491 176.491 176.735 -0.244 25007 87 1 1 . 1 1 466 466 MET CA C 466 52.783 52.783 53.745 -0.962 25007 88 1 1 . 1 1 466 466 MET CB C 466 33.609 33.609 35.922 -2.313 25007 89 1 1 . 1 1 466 466 MET H H 466 8.073 8.073 8.306 -0.233 25007 90 1 1 . 1 1 467 467 VAL N N 467 119.566 119.566 121.478 -1.912 25007 91 1 1 . 1 1 467 467 VAL HA H 467 3.420 3.420 4.345 -0.925 25007 92 1 1 . 1 1 467 467 VAL C C 467 176.899 176.899 177.501 -0.602 25007 93 1 1 . 1 1 467 467 VAL CA C 467 64.475 64.475 63.459 1.016 25007 94 1 1 . 1 1 467 467 VAL CB C 467 32.180 32.180 31.308 0.872 25007 95 1 1 . 1 1 467 467 VAL H H 467 7.891 7.891 7.915 -0.024 25007 96 1 1 . 1 1 468 468 GLY N N 468 115.391 115.391 115.592 -0.201 25007 97 1 1 . 1 1 468 468 GLY C C 468 174.446 174.446 173.474 0.972 25007 98 1 1 . 1 1 468 468 GLY CA C 468 44.690 44.690 44.729 -0.039 25007 99 1 1 . 1 1 468 468 GLY H H 468 9.784 9.784 8.480 1.304 25007 100 1 1 . 1 1 469 469 GLN N N 469 120.312 120.312 120.619 -0.307 25007 101 1 1 . 1 1 469 469 GLN HA H 469 4.396 4.396 4.517 -0.121 25007 102 1 1 . 1 1 469 469 GLN C C 469 174.534 174.534 174.992 -0.458 25007 103 1 1 . 1 1 469 469 GLN CA C 469 55.882 55.882 54.525 1.357 25007 104 1 1 . 1 1 469 469 GLN CB C 469 30.330 30.330 31.328 -0.997 25007 105 1 1 . 1 1 469 469 GLN H H 469 7.948 7.948 7.725 0.223 25007 106 1 1 . 1 1 470 470 ARG N N 470 122.876 122.876 122.119 0.757 25007 107 1 1 . 1 1 470 470 ARG HA H 470 4.559 4.559 5.268 -0.709 25007 108 1 1 . 1 1 470 470 ARG C C 470 175.944 175.944 175.764 0.180 25007 109 1 1 . 1 1 470 470 ARG CA C 470 55.425 55.425 55.359 0.066 25007 110 1 1 . 1 1 470 470 ARG CB C 470 31.418 31.418 31.186 0.232 25007 111 1 1 . 1 1 470 470 ARG H H 470 8.133 8.133 8.433 -0.300 25007 112 1 1 . 1 1 471 471 VAL N N 471 126.868 126.868 122.377 4.491 25007 113 1 1 . 1 1 471 471 VAL HA H 471 4.125 4.125 4.092 0.033 25007 114 1 1 . 1 1 471 471 VAL C C 471 173.258 173.258 174.203 -0.945 25007 115 1 1 . 1 1 471 471 VAL CA C 471 60.324 60.324 61.401 -1.077 25007 116 1 1 . 1 1 471 471 VAL CB C 471 34.719 34.719 33.485 1.234 25007 117 1 1 . 1 1 471 471 VAL H H 471 8.809 8.809 8.578 0.231 25007 118 1 1 . 1 1 472 472 GLU N N 472 126.535 126.535 126.845 -0.310 25007 119 1 1 . 1 1 472 472 GLU HA H 472 5.064 5.064 4.519 0.545 25007 120 1 1 . 1 1 472 472 GLU C C 472 175.149 175.149 175.107 0.042 25007 121 1 1 . 1 1 472 472 GLU CA C 472 54.581 54.581 55.146 -0.565 25007 122 1 1 . 1 1 472 472 GLU CB C 472 32.264 32.264 30.907 1.357 25007 123 1 1 . 1 1 472 472 GLU H H 472 8.650 8.650 8.480 0.170 25007 124 1 1 . 1 1 473 473 PHE N N 473 125.481 125.481 126.217 -0.736 25007 125 1 1 . 1 1 473 473 PHE HA H 473 4.731 4.731 4.866 -0.135 25007 126 1 1 . 1 1 473 473 PHE C C 473 175.039 175.039 174.903 0.136 25007 127 1 1 . 1 1 473 473 PHE CA C 473 57.568 57.568 57.092 0.476 25007 128 1 1 . 1 1 473 473 PHE CB C 473 41.957 41.957 41.928 0.029 25007 129 1 1 . 1 1 473 473 PHE H H 473 9.269 9.269 8.048 1.221 25007 130 1 1 . 1 1 474 474 GLU N N 474 120.740 120.740 121.715 -0.975 25007 131 1 1 . 1 1 474 474 GLU HA H 474 5.345 5.345 4.384 0.961 25007 132 1 1 . 1 1 474 474 GLU C C 474 174.352 174.352 175.081 -0.729 25007 133 1 1 . 1 1 474 474 GLU CA C 474 54.701 54.701 54.964 -0.263 25007 134 1 1 . 1 1 474 474 GLU CB C 474 33.357 33.357 32.527 0.830 25007 135 1 1 . 1 1 474 474 GLU H H 474 8.464 8.464 9.592 -1.128 25007 136 1 1 . 1 1 475 475 CYS N N 475 121.489 121.489 121.357 0.132 25007 137 1 1 . 1 1 475 475 CYS HA H 475 4.808 4.808 5.336 -0.528 25007 138 1 1 . 1 1 475 475 CYS C C 475 172.098 172.098 173.201 -1.103 25007 139 1 1 . 1 1 475 475 CYS CA C 475 56.609 56.609 56.073 0.536 25007 140 1 1 . 1 1 475 475 CYS CB C 475 30.959 30.959 30.823 0.136 25007 141 1 1 . 1 1 475 475 CYS H H 475 8.975 8.975 8.264 0.711 25007 142 1 1 . 1 1 476 476 GLU N N 476 123.429 123.429 122.311 1.118 25007 143 1 1 . 1 1 476 476 GLU HA H 476 5.508 5.508 5.398 0.110 25007 144 1 1 . 1 1 476 476 GLU C C 476 175.188 175.188 175.586 -0.398 25007 145 1 1 . 1 1 476 476 GLU CA C 476 55.034 55.034 54.838 0.196 25007 146 1 1 . 1 1 476 476 GLU CB C 476 34.226 34.226 33.950 0.276 25007 147 1 1 . 1 1 476 476 GLU H H 476 8.550 8.550 8.386 0.164 25007 148 1 1 . 1 1 477 477 VAL N N 477 116.564 116.564 116.443 0.121 25007 149 1 1 . 1 1 477 477 VAL HA H 477 5.411 5.411 5.160 0.251 25007 150 1 1 . 1 1 477 477 VAL C C 477 177.337 177.337 175.776 1.561 25007 151 1 1 . 1 1 477 477 VAL CA C 477 58.807 58.807 58.742 0.065 25007 152 1 1 . 1 1 477 477 VAL CB C 477 33.847 33.847 34.802 -0.955 25007 153 1 1 . 1 1 477 477 VAL H H 477 8.713 8.713 8.400 0.313 25007 154 1 1 . 1 1 478 478 SER N N 478 111.232 111.232 114.611 -3.379 25007 155 1 1 . 1 1 478 478 SER HA H 478 4.040 4.040 4.363 -0.323 25007 156 1 1 . 1 1 478 478 SER C C 478 173.819 173.819 174.427 -0.608 25007 157 1 1 . 1 1 478 478 SER CA C 478 61.120 61.120 59.629 1.491 25007 158 1 1 . 1 1 478 478 SER CB C 478 63.537 63.537 63.580 -0.043 25007 159 1 1 . 1 1 478 478 SER H H 478 8.756 8.756 8.262 0.494 25007 160 1 1 . 1 1 479 479 GLU N N 479 116.963 116.963 120.285 -3.322 25007 161 1 1 . 1 1 479 479 GLU HA H 479 4.846 4.846 4.503 0.343 25007 162 1 1 . 1 1 479 479 GLU C C 479 175.936 175.936 175.007 0.929 25007 163 1 1 . 1 1 479 479 GLU CA C 479 54.505 54.505 54.880 -0.375 25007 164 1 1 . 1 1 479 479 GLU CB C 479 33.938 33.938 32.084 1.854 25007 165 1 1 . 1 1 479 479 GLU H H 479 6.771 6.771 7.876 -1.105 25007 166 1 1 . 1 1 480 480 GLU N N 480 124.445 124.445 125.448 -1.003 25007 167 1 1 . 1 1 480 480 GLU HA H 480 4.402 4.402 4.314 0.088 25007 168 1 1 . 1 1 480 480 GLU C C 480 176.539 176.539 177.035 -0.496 25007 169 1 1 . 1 1 480 480 GLU CA C 480 57.860 57.860 56.457 1.403 25007 170 1 1 . 1 1 480 480 GLU CB C 480 30.072 30.072 29.520 0.551 25007 171 1 1 . 1 1 480 480 GLU H H 480 9.224 9.224 8.809 0.414 25007 172 1 1 . 1 1 481 481 GLY C C 481 174.358 174.358 174.478 -0.120 25007 173 1 1 . 1 1 481 481 GLY CA C 481 45.799 45.799 45.456 0.343 25007 174 1 1 . 1 1 482 482 ALA N N 482 121.272 121.272 122.035 -0.763 25007 175 1 1 . 1 1 482 482 ALA HA H 482 4.369 4.369 4.482 -0.113 25007 176 1 1 . 1 1 482 482 ALA C C 482 177.182 177.182 177.483 -0.301 25007 177 1 1 . 1 1 482 482 ALA CA C 482 52.389 52.389 52.405 -0.016 25007 178 1 1 . 1 1 482 482 ALA CB C 482 20.558 20.558 19.940 0.618 25007 179 1 1 . 1 1 482 482 ALA H H 482 7.407 7.407 7.400 0.007 25007 180 1 1 . 1 1 483 483 GLN N N 483 121.348 121.348 119.871 1.477 25007 181 1 1 . 1 1 483 483 GLN HA H 483 4.434 4.434 4.398 0.036 25007 182 1 1 . 1 1 483 483 GLN C C 483 175.702 175.702 175.485 0.217 25007 183 1 1 . 1 1 483 483 GLN CA C 483 55.355 55.355 56.102 -0.747 25007 184 1 1 . 1 1 483 483 GLN CB C 483 28.785 28.785 29.071 -0.286 25007 185 1 1 . 1 1 483 483 GLN H H 483 8.508 8.508 8.620 -0.112 25007 186 1 1 . 1 1 484 484 VAL N N 484 118.367 118.367 117.026 1.341 25007 187 1 1 . 1 1 484 484 VAL HA H 484 4.907 4.907 4.474 0.433 25007 188 1 1 . 1 1 484 484 VAL C C 484 174.865 174.865 174.662 0.203 25007 189 1 1 . 1 1 484 484 VAL CA C 484 58.403 58.403 59.047 -0.645 25007 190 1 1 . 1 1 484 484 VAL CB C 484 34.477 34.477 35.159 -0.682 25007 191 1 1 . 1 1 484 484 VAL H H 484 8.269 8.269 8.178 0.091 25007 192 1 1 . 1 1 485 485 LYS N N 485 119.929 119.929 120.931 -1.002 25007 193 1 1 . 1 1 485 485 LYS HA H 485 4.586 4.586 4.530 0.056 25007 194 1 1 . 1 1 485 485 LYS C C 485 173.947 173.947 174.557 -0.610 25007 195 1 1 . 1 1 485 485 LYS CA C 485 54.986 54.986 55.614 -0.628 25007 196 1 1 . 1 1 485 485 LYS CB C 485 36.634 36.634 35.220 1.414 25007 197 1 1 . 1 1 485 485 LYS H H 485 8.013 8.013 7.596 0.417 25007 198 1 1 . 1 1 486 486 TRP N N 486 123.614 123.614 126.464 -2.850 25007 199 1 1 . 1 1 486 486 TRP HA H 486 5.602 5.602 4.840 0.762 25007 200 1 1 . 1 1 486 486 TRP C C 486 175.998 175.998 175.389 0.609 25007 201 1 1 . 1 1 486 486 TRP CA C 486 55.808 55.808 56.527 -0.719 25007 202 1 1 . 1 1 486 486 TRP CB C 486 32.003 32.003 30.527 1.476 25007 203 1 1 . 1 1 486 486 TRP H H 486 8.776 8.776 8.756 0.020 25007 204 1 1 . 1 1 487 487 LEU N N 487 121.275 121.275 124.579 -3.304 25007 205 1 1 . 1 1 487 487 LEU HA H 487 5.181 5.181 4.966 0.215 25007 206 1 1 . 1 1 487 487 LEU C C 487 175.805 175.805 175.473 0.332 25007 207 1 1 . 1 1 487 487 LEU CA C 487 53.541 53.541 53.671 -0.130 25007 208 1 1 . 1 1 487 487 LEU CB C 487 46.105 46.105 45.463 0.642 25007 209 1 1 . 1 1 487 487 LEU H H 487 9.581 9.581 8.483 1.098 25007 210 1 1 . 1 1 488 488 LYS N N 488 119.146 119.146 123.684 -4.538 25007 211 1 1 . 1 1 488 488 LYS HA H 488 4.439 4.439 4.598 -0.159 25007 212 1 1 . 1 1 488 488 LYS C C 488 176.682 176.682 176.388 0.294 25007 213 1 1 . 1 1 488 488 LYS CA C 488 55.102 55.102 54.813 0.289 25007 214 1 1 . 1 1 488 488 LYS CB C 488 35.535 35.535 33.590 1.945 25007 215 1 1 . 1 1 488 488 LYS H H 488 8.681 8.681 9.105 -0.424 25007 216 1 1 . 1 1 489 489 ASP N N 489 130.284 130.284 128.591 1.693 25007 217 1 1 . 1 1 489 489 ASP HA H 489 4.361 4.361 4.333 0.028 25007 218 1 1 . 1 1 489 489 ASP C C 489 176.145 176.145 176.206 -0.061 25007 219 1 1 . 1 1 489 489 ASP CA C 489 55.968 55.968 55.787 0.181 25007 220 1 1 . 1 1 489 489 ASP CB C 489 40.051 40.051 39.999 0.051 25007 221 1 1 . 1 1 489 489 ASP H H 489 9.860 9.860 9.326 0.534 25007 222 1 1 . 1 1 490 490 GLY N N 490 101.712 101.712 103.480 -1.768 25007 223 1 1 . 1 1 490 490 GLY C C 490 173.542 173.542 173.924 -0.382 25007 224 1 1 . 1 1 490 490 GLY CA C 490 45.240 45.240 45.072 0.168 25007 225 1 1 . 1 1 490 490 GLY H H 490 8.668 8.668 8.664 0.004 25007 226 1 1 . 1 1 491 491 VAL N N 491 123.365 123.365 123.536 -0.171 25007 227 1 1 . 1 1 491 491 VAL HA H 491 4.168 4.168 4.190 -0.022 25007 228 1 1 . 1 1 491 491 VAL C C 491 175.179 175.179 174.995 0.184 25007 229 1 1 . 1 1 491 491 VAL CA C 491 61.629 61.629 61.364 0.265 25007 230 1 1 . 1 1 491 491 VAL CB C 491 33.515 33.515 32.941 0.574 25007 231 1 1 . 1 1 491 491 VAL H H 491 7.917 7.917 7.806 0.112 25007 232 1 1 . 1 1 492 492 GLU N N 492 127.979 127.979 128.108 -0.129 25007 233 1 1 . 1 1 492 492 GLU HA H 492 4.395 4.395 4.698 -0.303 25007 234 1 1 . 1 1 492 492 GLU C C 492 176.695 176.695 176.297 0.398 25007 235 1 1 . 1 1 492 492 GLU CA C 492 57.585 57.585 55.963 1.622 25007 236 1 1 . 1 1 492 492 GLU CB C 492 29.870 29.870 30.653 -0.783 25007 237 1 1 . 1 1 492 492 GLU H H 492 8.759 8.759 8.677 0.082 25007 238 1 1 . 1 1 493 493 LEU N N 493 127.568 127.568 128.215 -0.647 25007 239 1 1 . 1 1 493 493 LEU HA H 493 4.539 4.539 4.533 0.006 25007 240 1 1 . 1 1 493 493 LEU C C 493 176.807 176.807 176.977 -0.170 25007 241 1 1 . 1 1 493 493 LEU CA C 493 54.305 54.305 54.656 -0.350 25007 242 1 1 . 1 1 493 493 LEU CB C 493 41.768 41.768 42.411 -0.643 25007 243 1 1 . 1 1 493 493 LEU H H 493 8.884 8.884 8.249 0.635 25007 244 1 1 . 1 1 494 494 THR N N 494 115.006 115.006 118.966 -3.960 25007 245 1 1 . 1 1 494 494 THR HA H 494 4.462 4.462 4.370 0.092 25007 246 1 1 . 1 1 494 494 THR C C 494 174.638 174.638 174.524 0.114 25007 247 1 1 . 1 1 494 494 THR CA C 494 61.263 61.263 62.227 -0.964 25007 248 1 1 . 1 1 494 494 THR CB C 494 70.112 70.112 69.810 0.302 25007 249 1 1 . 1 1 494 494 THR H H 494 8.315 8.315 8.656 -0.341 25007 250 1 1 . 1 1 495 495 ARG N N 495 121.376 121.376 125.231 -3.855 25007 251 1 1 . 1 1 495 495 ARG HA H 495 4.236 4.236 4.616 -0.380 25007 252 1 1 . 1 1 495 495 ARG C C 495 176.661 176.661 176.284 0.377 25007 253 1 1 . 1 1 495 495 ARG CA C 495 56.528 56.528 54.958 1.570 25007 254 1 1 . 1 1 495 495 ARG CB C 495 29.747 29.747 29.406 0.341 25007 255 1 1 . 1 1 495 495 ARG H H 495 8.442 8.442 8.380 0.062 25007 256 1 1 . 1 1 496 496 GLU N N 496 120.213 120.213 120.044 0.169 25007 257 1 1 . 1 1 496 496 GLU HA H 496 4.300 4.300 4.210 0.090 25007 258 1 1 . 1 1 496 496 GLU C C 496 176.615 176.615 176.495 0.120 25007 259 1 1 . 1 1 496 496 GLU CA C 496 57.036 57.036 58.079 -1.043 25007 260 1 1 . 1 1 496 496 GLU CB C 496 30.369 30.369 29.996 0.373 25007 261 1 1 . 1 1 496 496 GLU H H 496 8.230 8.230 8.023 0.207 25007 262 1 1 . 1 1 497 497 GLU N N 497 120.969 120.969 118.365 2.604 25007 263 1 1 . 1 1 497 497 GLU HA H 497 4.432 4.432 4.499 -0.067 25007 264 1 1 . 1 1 497 497 GLU C C 497 176.587 176.587 175.061 1.526 25007 265 1 1 . 1 1 497 497 GLU CA C 497 56.731 56.731 55.788 0.944 25007 266 1 1 . 1 1 497 497 GLU CB C 497 29.467 29.467 30.470 -1.003 25007 267 1 1 . 1 1 497 497 GLU H H 497 8.286 8.286 7.894 0.392 25007 268 1 1 . 1 1 498 498 THR N N 498 114.281 114.281 115.697 -1.416 25007 269 1 1 . 1 1 498 498 THR HA H 498 4.540 4.540 4.728 -0.188 25007 270 1 1 . 1 1 498 498 THR C C 498 174.512 174.512 173.108 1.404 25007 271 1 1 . 1 1 498 498 THR CA C 498 61.494 61.494 61.462 0.033 25007 272 1 1 . 1 1 498 498 THR CB C 498 70.298 70.298 69.900 0.398 25007 273 1 1 . 1 1 498 498 THR H H 498 8.192 8.192 8.076 0.116 25007 274 1 1 . 1 1 499 499 PHE N N 499 119.424 119.424 124.095 -4.671 25007 275 1 1 . 1 1 499 499 PHE HA H 499 4.557 4.557 4.625 -0.068 25007 276 1 1 . 1 1 499 499 PHE C C 499 176.196 176.196 176.357 -0.161 25007 277 1 1 . 1 1 499 499 PHE CA C 499 58.536 58.536 58.664 -0.128 25007 278 1 1 . 1 1 499 499 PHE CB C 499 38.497 38.497 40.120 -1.623 25007 279 1 1 . 1 1 499 499 PHE H H 499 8.191 8.191 8.795 -0.604 25007 280 1 1 . 1 1 500 500 LYS N N 500 120.866 120.866 119.450 1.416 25007 281 1 1 . 1 1 500 500 LYS HA H 500 4.011 4.011 4.164 -0.153 25007 282 1 1 . 1 1 500 500 LYS C C 500 175.712 175.712 175.171 0.541 25007 283 1 1 . 1 1 500 500 LYS CA C 500 57.773 57.773 57.867 -0.094 25007 284 1 1 . 1 1 500 500 LYS CB C 500 33.363 33.363 33.025 0.338 25007 285 1 1 . 1 1 500 500 LYS H H 500 7.848 7.848 8.163 -0.315 25007 286 1 1 . 1 1 501 501 TYR N N 501 114.937 114.937 116.373 -1.436 25007 287 1 1 . 1 1 501 501 TYR HA H 501 5.313 5.313 5.109 0.204 25007 288 1 1 . 1 1 501 501 TYR C C 501 175.113 175.113 175.712 -0.599 25007 289 1 1 . 1 1 501 501 TYR CA C 501 55.044 55.044 56.759 -1.715 25007 290 1 1 . 1 1 501 501 TYR CB C 501 41.727 41.727 39.811 1.916 25007 291 1 1 . 1 1 501 501 TYR H H 501 7.214 7.214 7.495 -0.281 25007 292 1 1 . 1 1 502 502 ARG N N 502 119.116 119.116 121.117 -2.001 25007 293 1 1 . 1 1 502 502 ARG HA H 502 4.543 4.543 4.686 -0.143 25007 294 1 1 . 1 1 502 502 ARG C C 502 173.549 173.549 174.300 -0.751 25007 295 1 1 . 1 1 502 502 ARG CA C 502 54.462 54.462 54.596 -0.134 25007 296 1 1 . 1 1 502 502 ARG CB C 502 32.980 32.980 32.265 0.715 25007 297 1 1 . 1 1 502 502 ARG H H 502 8.663 8.663 8.263 0.400 25007 298 1 1 . 1 1 503 503 PHE N N 503 121.105 121.105 124.693 -3.588 25007 299 1 1 . 1 1 503 503 PHE HA H 503 5.281 5.281 5.126 0.155 25007 300 1 1 . 1 1 503 503 PHE C C 503 176.268 176.268 176.260 0.008 25007 301 1 1 . 1 1 503 503 PHE CA C 503 55.736 55.736 57.520 -1.784 25007 302 1 1 . 1 1 503 503 PHE CB C 503 41.345 41.345 39.893 1.452 25007 303 1 1 . 1 1 503 503 PHE H H 503 8.691 8.691 8.954 -0.263 25007 304 1 1 . 1 1 504 504 LYS N N 504 121.191 121.191 125.659 -4.468 25007 305 1 1 . 1 1 504 504 LYS HA H 504 4.892 4.892 4.784 0.108 25007 306 1 1 . 1 1 504 504 LYS C C 504 174.929 174.929 175.118 -0.189 25007 307 1 1 . 1 1 504 504 LYS CA C 504 55.269 55.269 54.700 0.569 25007 308 1 1 . 1 1 504 504 LYS CB C 504 36.405 36.405 34.900 1.505 25007 309 1 1 . 1 1 504 504 LYS H H 504 8.914 8.914 9.005 -0.091 25007 310 1 1 . 1 1 505 505 LYS N N 505 126.575 126.575 125.806 0.769 25007 311 1 1 . 1 1 505 505 LYS HA H 505 4.860 4.860 4.717 0.143 25007 312 1 1 . 1 1 505 505 LYS C C 505 174.542 174.542 175.359 -0.817 25007 313 1 1 . 1 1 505 505 LYS CA C 505 55.484 55.484 55.520 -0.036 25007 314 1 1 . 1 1 505 505 LYS CB C 505 34.831 34.831 34.073 0.758 25007 315 1 1 . 1 1 505 505 LYS H H 505 8.822 8.822 8.843 -0.021 25007 316 1 1 . 1 1 506 506 ASP N N 506 125.932 125.932 129.109 -3.177 25007 317 1 1 . 1 1 506 506 ASP HA H 506 4.814 4.814 4.854 -0.040 25007 318 1 1 . 1 1 506 506 ASP C C 506 176.075 176.075 176.165 -0.090 25007 319 1 1 . 1 1 506 506 ASP CA C 506 52.597 52.597 53.442 -0.845 25007 320 1 1 . 1 1 506 506 ASP CB C 506 41.813 41.813 41.275 0.538 25007 321 1 1 . 1 1 506 506 ASP H H 506 8.911 8.911 8.251 0.660 25007 322 1 1 . 1 1 507 507 GLY N N 507 114.443 114.443 112.055 2.388 25007 323 1 1 . 1 1 507 507 GLY C C 507 175.318 175.318 174.925 0.393 25007 324 1 1 . 1 1 507 507 GLY CA C 507 47.542 47.542 46.568 0.974 25007 325 1 1 . 1 1 507 507 GLY H H 507 8.989 8.989 8.474 0.515 25007 326 1 1 . 1 1 508 508 GLN N N 508 128.587 128.587 123.164 5.423 25007 327 1 1 . 1 1 508 508 GLN HA H 508 4.546 4.546 4.416 0.130 25007 328 1 1 . 1 1 508 508 GLN C C 508 174.087 174.087 176.253 -2.166 25007 329 1 1 . 1 1 508 508 GLN CA C 508 57.107 57.107 55.666 1.441 25007 330 1 1 . 1 1 508 508 GLN CB C 508 30.198 30.198 30.046 0.152 25007 331 1 1 . 1 1 508 508 GLN H H 508 9.426 9.426 8.261 1.165 25007 332 1 1 . 1 1 509 509 ARG N N 509 120.282 120.282 120.028 0.254 25007 333 1 1 . 1 1 509 509 ARG HA H 509 4.971 4.971 4.890 0.081 25007 334 1 1 . 1 1 509 509 ARG C C 509 174.531 174.531 175.233 -0.702 25007 335 1 1 . 1 1 509 509 ARG CA C 509 56.149 56.149 55.296 0.853 25007 336 1 1 . 1 1 509 509 ARG CB C 509 31.984 31.984 32.397 -0.413 25007 337 1 1 . 1 1 509 509 ARG H H 509 8.185 8.185 7.660 0.525 25007 338 1 1 . 1 1 510 510 HIS N N 510 122.738 122.738 120.565 2.173 25007 339 1 1 . 1 1 510 510 HIS HA H 510 5.128 5.128 5.771 -0.643 25007 340 1 1 . 1 1 510 510 HIS C C 510 174.763 174.763 174.512 0.251 25007 341 1 1 . 1 1 510 510 HIS CA C 510 56.499 56.499 54.904 1.595 25007 342 1 1 . 1 1 510 510 HIS CB C 510 35.219 35.219 33.575 1.644 25007 343 1 1 . 1 1 510 510 HIS H H 510 8.766 8.766 9.383 -0.617 25007 344 1 1 . 1 1 511 511 HIS N N 511 118.975 118.975 123.039 -4.064 25007 345 1 1 . 1 1 511 511 HIS HA H 511 6.074 6.074 5.009 1.065 25007 346 1 1 . 1 1 511 511 HIS C C 511 173.805 173.805 173.401 0.404 25007 347 1 1 . 1 1 511 511 HIS CA C 511 53.886 53.886 54.870 -0.984 25007 348 1 1 . 1 1 511 511 HIS CB C 511 33.159 33.159 33.170 -0.011 25007 349 1 1 . 1 1 511 511 HIS H H 511 9.314 9.314 9.394 -0.080 25007 350 1 1 . 1 1 512 512 LEU N N 512 125.887 125.887 128.860 -2.973 25007 351 1 1 . 1 1 512 512 LEU HA H 512 4.382 4.382 4.703 -0.321 25007 352 1 1 . 1 1 512 512 LEU C C 512 174.018 174.018 175.091 -1.073 25007 353 1 1 . 1 1 512 512 LEU CA C 512 54.038 54.038 53.286 0.752 25007 354 1 1 . 1 1 512 512 LEU CB C 512 42.246 42.246 41.958 0.288 25007 355 1 1 . 1 1 512 512 LEU H H 512 8.403 8.403 8.673 -0.270 25007 356 1 1 . 1 1 513 513 ILE N N 513 127.359 127.359 129.320 -1.961 25007 357 1 1 . 1 1 513 513 ILE HA H 513 4.953 4.953 4.691 0.262 25007 358 1 1 . 1 1 513 513 ILE C C 513 175.456 175.456 174.463 0.993 25007 359 1 1 . 1 1 513 513 ILE CA C 513 59.184 59.184 58.950 0.234 25007 360 1 1 . 1 1 513 513 ILE CB C 513 40.899 40.899 39.913 0.986 25007 361 1 1 . 1 1 513 513 ILE H H 513 8.885 8.885 8.496 0.389 25007 362 1 1 . 1 1 514 514 ILE N N 514 126.969 126.969 131.056 -4.087 25007 363 1 1 . 1 1 514 514 ILE HA H 514 4.391 4.391 4.269 0.122 25007 364 1 1 . 1 1 514 514 ILE C C 514 175.544 175.544 176.186 -0.642 25007 365 1 1 . 1 1 514 514 ILE CA C 514 60.181 60.181 61.531 -1.350 25007 366 1 1 . 1 1 514 514 ILE CB C 514 39.580 39.580 37.365 2.215 25007 367 1 1 . 1 1 514 514 ILE H H 514 8.929 8.929 8.213 0.716 25007 368 1 1 . 1 1 515 515 ASN N N 515 124.537 124.537 126.283 -1.746 25007 369 1 1 . 1 1 515 515 ASN HA H 515 4.187 4.187 4.447 -0.260 25007 370 1 1 . 1 1 515 515 ASN C C 515 174.955 174.955 175.031 -0.076 25007 371 1 1 . 1 1 515 515 ASN CA C 515 57.082 57.082 56.318 0.764 25007 372 1 1 . 1 1 515 515 ASN CB C 515 38.847 38.847 38.974 -0.127 25007 373 1 1 . 1 1 515 515 ASN H H 515 8.112 8.112 8.295 -0.183 25007 374 1 1 . 1 1 516 516 GLU N N 516 117.395 117.395 117.405 -0.010 25007 375 1 1 . 1 1 516 516 GLU HA H 516 3.780 3.780 4.617 -0.837 25007 376 1 1 . 1 1 516 516 GLU C C 516 173.992 173.992 174.552 -0.560 25007 377 1 1 . 1 1 516 516 GLU CA C 516 55.067 55.067 55.400 -0.333 25007 378 1 1 . 1 1 516 516 GLU CB C 516 31.592 31.592 31.899 -0.307 25007 379 1 1 . 1 1 516 516 GLU H H 516 8.156 8.156 7.931 0.225 25007 380 1 1 . 1 1 517 517 ALA N N 517 125.988 125.988 129.668 -3.680 25007 381 1 1 . 1 1 517 517 ALA HA H 517 4.145 4.145 4.701 -0.556 25007 382 1 1 . 1 1 517 517 ALA C C 517 177.314 177.314 176.084 1.230 25007 383 1 1 . 1 1 517 517 ALA CA C 517 53.495 53.495 51.941 1.554 25007 384 1 1 . 1 1 517 517 ALA CB C 517 18.842 18.842 20.354 -1.512 25007 385 1 1 . 1 1 517 517 ALA H H 517 8.703 8.703 8.171 0.532 25007 386 1 1 . 1 1 518 518 MET N N 518 123.199 123.199 120.079 3.120 25007 387 1 1 . 1 1 518 518 MET HA H 518 4.845 4.845 4.716 0.129 25007 388 1 1 . 1 1 518 518 MET C C 518 177.647 177.647 176.652 0.995 25007 389 1 1 . 1 1 518 518 MET CA C 518 53.070 53.070 53.824 -0.754 25007 390 1 1 . 1 1 518 518 MET CB C 518 35.877 35.877 34.380 1.498 25007 391 1 1 . 1 1 518 518 MET H H 518 9.802 9.802 8.576 1.226 25007 392 1 1 . 1 1 519 519 LEU N N 519 123.266 123.266 121.534 1.732 25007 393 1 1 . 1 1 519 519 LEU HA H 519 3.822 3.822 4.122 -0.299 25007 394 1 1 . 1 1 519 519 LEU C C 519 180.760 180.760 179.657 1.103 25007 395 1 1 . 1 1 519 519 LEU CA C 519 59.358 59.358 58.492 0.866 25007 396 1 1 . 1 1 519 519 LEU CB C 519 40.910 40.910 41.094 -0.184 25007 397 1 1 . 1 1 519 519 LEU H H 519 9.097 9.097 8.555 0.542 25007 398 1 1 . 1 1 520 520 GLU N N 520 115.379 115.379 118.146 -2.767 25007 399 1 1 . 1 1 520 520 GLU HA H 520 4.243 4.243 4.265 -0.022 25007 400 1 1 . 1 1 520 520 GLU C C 520 176.447 176.447 177.439 -0.992 25007 401 1 1 . 1 1 520 520 GLU CA C 520 58.255 58.255 58.068 0.187 25007 402 1 1 . 1 1 520 520 GLU CB C 520 28.497 28.497 29.400 -0.903 25007 403 1 1 . 1 1 520 520 GLU H H 520 9.071 9.071 8.555 0.516 25007 404 1 1 . 1 1 521 521 ASP N N 521 117.057 117.057 118.470 -1.413 25007 405 1 1 . 1 1 521 521 ASP HA H 521 4.650 4.650 4.723 -0.073 25007 406 1 1 . 1 1 521 521 ASP C C 521 176.747 176.747 176.493 0.254 25007 407 1 1 . 1 1 521 521 ASP CA C 521 55.790 55.790 55.248 0.542 25007 408 1 1 . 1 1 521 521 ASP CB C 521 40.882 40.882 41.018 -0.136 25007 409 1 1 . 1 1 521 521 ASP H H 521 8.089 8.089 8.267 -0.178 25007 410 1 1 . 1 1 522 522 ALA N N 522 123.576 123.576 121.700 1.876 25007 411 1 1 . 1 1 522 522 ALA HA H 522 4.138 4.138 4.387 -0.249 25007 412 1 1 . 1 1 522 522 ALA C C 522 176.493 176.493 177.834 -1.341 25007 413 1 1 . 1 1 522 522 ALA CA C 522 53.668 53.668 53.577 0.091 25007 414 1 1 . 1 1 522 522 ALA CB C 522 19.822 19.822 19.408 0.414 25007 415 1 1 . 1 1 522 522 ALA H H 522 7.560 7.560 7.194 0.366 25007 416 1 1 . 1 1 523 523 GLY N N 523 107.939 107.939 107.760 0.179 25007 417 1 1 . 1 1 523 523 GLY C C 523 171.581 171.581 172.459 -0.878 25007 418 1 1 . 1 1 523 523 GLY CA C 523 44.966 44.966 45.346 -0.380 25007 419 1 1 . 1 1 523 523 GLY H H 523 8.486 8.486 8.047 0.439 25007 420 1 1 . 1 1 524 524 HIS N N 524 119.624 119.624 119.177 0.447 25007 421 1 1 . 1 1 524 524 HIS HA H 524 5.284 5.284 5.126 0.158 25007 422 1 1 . 1 1 524 524 HIS C C 524 174.529 174.529 175.232 -0.703 25007 423 1 1 . 1 1 524 524 HIS CA C 524 55.966 55.966 55.329 0.637 25007 424 1 1 . 1 1 524 524 HIS CB C 524 29.911 29.911 30.234 -0.323 25007 425 1 1 . 1 1 524 524 HIS H H 524 9.138 9.138 8.405 0.733 25007 426 1 1 . 1 1 525 525 TYR N N 525 127.402 127.402 126.766 0.636 25007 427 1 1 . 1 1 525 525 TYR HA H 525 5.188 5.188 5.360 -0.172 25007 428 1 1 . 1 1 525 525 TYR C C 525 173.765 173.765 174.839 -1.074 25007 429 1 1 . 1 1 525 525 TYR CA C 525 57.235 57.235 57.080 0.155 25007 430 1 1 . 1 1 525 525 TYR CB C 525 40.847 40.847 38.966 1.881 25007 431 1 1 . 1 1 525 525 TYR H H 525 9.571 9.571 8.827 0.744 25007 432 1 1 . 1 1 526 526 ALA N N 526 121.895 121.895 126.458 -4.563 25007 433 1 1 . 1 1 526 526 ALA HA H 526 5.595 5.595 5.076 0.519 25007 434 1 1 . 1 1 526 526 ALA C C 526 175.256 175.256 175.076 0.180 25007 435 1 1 . 1 1 526 526 ALA CA C 526 49.674 49.674 50.393 -0.719 25007 436 1 1 . 1 1 526 526 ALA CB C 526 24.106 24.106 22.145 1.961 25007 437 1 1 . 1 1 526 526 ALA H H 526 9.096 9.096 8.948 0.148 25007 438 1 1 . 1 1 527 527 LEU N N 527 121.830 121.830 125.741 -3.911 25007 439 1 1 . 1 1 527 527 LEU HA H 527 4.566 4.566 4.683 -0.117 25007 440 1 1 . 1 1 527 527 LEU C C 527 175.945 175.945 175.352 0.593 25007 441 1 1 . 1 1 527 527 LEU CA C 527 52.867 52.867 53.510 -0.643 25007 442 1 1 . 1 1 527 527 LEU CB C 527 42.946 42.946 43.140 -0.194 25007 443 1 1 . 1 1 527 527 LEU H H 527 8.164 8.164 7.835 0.329 25007 444 1 1 . 1 1 528 528 CYS N N 528 122.905 122.905 128.326 -5.421 25007 445 1 1 . 1 1 528 528 CYS HA H 528 4.983 4.983 4.554 0.429 25007 446 1 1 . 1 1 528 528 CYS C C 528 174.337 174.337 174.477 -0.140 25007 447 1 1 . 1 1 528 528 CYS CA C 528 57.228 57.228 57.896 -0.668 25007 448 1 1 . 1 1 528 528 CYS CB C 528 29.887 29.887 26.841 3.046 25007 449 1 1 . 1 1 528 528 CYS H H 528 8.974 8.974 8.778 0.196 25007 450 1 1 . 1 1 529 529 THR N N 529 116.293 116.293 115.276 1.017 25007 451 1 1 . 1 1 529 529 THR HA H 529 4.693 4.693 4.716 -0.023 25007 452 1 1 . 1 1 529 529 THR C C 529 175.292 175.292 175.760 -0.468 25007 453 1 1 . 1 1 529 529 THR CA C 529 59.531 59.531 59.200 0.331 25007 454 1 1 . 1 1 529 529 THR CB C 529 71.282 71.282 70.921 0.361 25007 455 1 1 . 1 1 529 529 THR H H 529 8.660 8.660 7.716 0.944 25007 456 1 1 . 1 1 530 530 SER N N 530 115.090 115.090 115.603 -0.513 25007 457 1 1 . 1 1 530 530 SER HA H 530 4.255 4.255 4.156 0.099 25007 458 1 1 . 1 1 530 530 SER C C 530 175.719 175.719 174.814 0.905 25007 459 1 1 . 1 1 530 530 SER CA C 530 59.970 59.970 59.867 0.103 25007 460 1 1 . 1 1 530 530 SER CB C 530 62.914 62.914 62.885 0.029 25007 461 1 1 . 1 1 530 530 SER H H 530 9.373 9.373 8.851 0.522 25007 462 1 1 . 1 1 531 531 GLY N N 531 108.629 108.629 106.624 2.005 25007 463 1 1 . 1 1 531 531 GLY C C 531 173.708 173.708 173.843 -0.135 25007 464 1 1 . 1 1 531 531 GLY CA C 531 45.032 45.032 44.682 0.350 25007 465 1 1 . 1 1 531 531 GLY H H 531 8.145 8.145 7.345 0.800 25007 466 1 1 . 1 1 532 532 GLY N N 532 109.085 109.085 108.159 0.926 25007 467 1 1 . 1 1 532 532 GLY C C 532 170.571 170.571 172.594 -2.023 25007 468 1 1 . 1 1 532 532 GLY CA C 532 45.443 45.443 44.275 1.168 25007 469 1 1 . 1 1 532 532 GLY H H 532 7.518 7.518 8.123 -0.605 25007 470 1 1 . 1 1 533 533 GLN N N 533 116.769 116.769 123.013 -6.244 25007 471 1 1 . 1 1 533 533 GLN HA H 533 5.329 5.329 4.553 0.776 25007 472 1 1 . 1 1 533 533 GLN C C 533 174.087 174.087 174.868 -0.781 25007 473 1 1 . 1 1 533 533 GLN CA C 533 54.453 54.453 54.556 -0.103 25007 474 1 1 . 1 1 533 533 GLN CB C 533 32.474 32.474 30.503 1.971 25007 475 1 1 . 1 1 533 533 GLN H H 533 8.302 8.302 8.431 -0.129 25007 476 1 1 . 1 1 534 534 ALA N N 534 126.978 126.978 129.294 -2.316 25007 477 1 1 . 1 1 534 534 ALA HA H 534 4.845 4.845 4.663 0.182 25007 478 1 1 . 1 1 534 534 ALA C C 534 174.509 174.509 174.602 -0.093 25007 479 1 1 . 1 1 534 534 ALA CA C 534 50.792 50.792 50.731 0.061 25007 480 1 1 . 1 1 534 534 ALA CB C 534 22.023 22.023 21.826 0.197 25007 481 1 1 . 1 1 534 534 ALA H H 534 8.863 8.863 8.459 0.404 25007 482 1 1 . 1 1 535 535 LEU N N 535 122.725 122.725 123.023 -0.298 25007 483 1 1 . 1 1 535 535 LEU HA H 535 5.386 5.386 5.277 0.109 25007 484 1 1 . 1 1 535 535 LEU C C 535 176.477 176.477 175.175 1.302 25007 485 1 1 . 1 1 535 535 LEU CA C 535 54.253 54.253 54.139 0.114 25007 486 1 1 . 1 1 535 535 LEU CB C 535 46.315 46.315 45.836 0.479 25007 487 1 1 . 1 1 535 535 LEU H H 535 8.438 8.438 8.404 0.034 25007 488 1 1 . 1 1 536 536 ALA N N 536 125.405 125.405 128.068 -2.663 25007 489 1 1 . 1 1 536 536 ALA HA H 536 4.740 4.740 4.908 -0.168 25007 490 1 1 . 1 1 536 536 ALA C C 536 174.310 174.310 175.230 -0.920 25007 491 1 1 . 1 1 536 536 ALA CA C 536 51.928 51.928 51.135 0.793 25007 492 1 1 . 1 1 536 536 ALA CB C 536 24.477 24.477 22.354 2.123 25007 493 1 1 . 1 1 536 536 ALA H H 536 9.336 9.336 9.064 0.272 25007 494 1 1 . 1 1 537 537 GLU N N 537 121.895 121.895 125.213 -3.318 25007 495 1 1 . 1 1 537 537 GLU HA H 537 4.919 4.919 4.451 0.468 25007 496 1 1 . 1 1 537 537 GLU C C 537 174.790 174.790 175.026 -0.236 25007 497 1 1 . 1 1 537 537 GLU CA C 537 54.758 54.758 55.448 -0.690 25007 498 1 1 . 1 1 537 537 GLU CB C 537 32.505 32.505 31.555 0.950 25007 499 1 1 . 1 1 537 537 GLU H H 537 9.296 9.296 8.706 0.590 25007 500 1 1 . 1 1 538 538 LEU N N 538 125.064 125.064 128.954 -3.890 25007 501 1 1 . 1 1 538 538 LEU HA H 538 5.365 5.365 4.819 0.546 25007 502 1 1 . 1 1 538 538 LEU C C 538 175.931 175.931 175.388 0.543 25007 503 1 1 . 1 1 538 538 LEU CA C 538 53.389 53.389 53.963 -0.574 25007 504 1 1 . 1 1 538 538 LEU CB C 538 45.315 45.315 44.797 0.518 25007 505 1 1 . 1 1 538 538 LEU H H 538 9.274 9.274 7.678 1.596 25007 506 1 1 . 1 1 539 539 ILE N N 539 130.885 130.885 126.450 4.435 25007 507 1 1 . 1 1 539 539 ILE HA H 539 4.282 4.282 4.290 -0.008 25007 508 1 1 . 1 1 539 539 ILE C C 539 173.958 173.958 174.362 -0.404 25007 509 1 1 . 1 1 539 539 ILE CA C 539 61.171 61.171 60.331 0.840 25007 510 1 1 . 1 1 539 539 ILE CB C 539 39.901 39.901 39.548 0.353 25007 511 1 1 . 1 1 539 539 ILE H H 539 8.867 8.867 8.538 0.329 25007 512 1 1 . 1 1 540 540 VAL N N 540 125.478 125.478 127.590 -2.112 25007 513 1 1 . 1 1 540 540 VAL HA H 540 4.770 4.770 5.023 -0.253 25007 514 1 1 . 1 1 540 540 VAL C C 540 174.948 174.948 175.630 -0.682 25007 515 1 1 . 1 1 540 540 VAL CA C 540 60.316 60.316 60.861 -0.545 25007 516 1 1 . 1 1 540 540 VAL CB C 540 33.691 33.691 33.545 0.146 25007 517 1 1 . 1 1 540 540 VAL H H 540 7.880 7.880 8.532 -0.652 25007 518 1 1 . 1 1 541 541 GLN N N 541 126.082 126.082 126.735 -0.653 25007 519 1 1 . 1 1 541 541 GLN HA H 541 4.618 4.618 4.657 -0.039 25007 520 1 1 . 1 1 541 541 GLN C C 541 174.952 174.952 174.811 0.141 25007 521 1 1 . 1 1 541 541 GLN CA C 541 54.372 54.372 54.144 0.228 25007 522 1 1 . 1 1 541 541 GLN CB C 541 31.571 31.571 33.025 -1.454 25007 523 1 1 . 1 1 541 541 GLN H H 541 9.066 9.066 8.261 0.805 25007 524 1 1 . 1 1 542 542 GLU N N 542 122.178 122.178 122.776 -0.598 25007 525 1 1 . 1 1 542 542 GLU HA H 542 4.312 4.312 4.362 -0.050 25007 526 1 1 . 1 1 542 542 GLU C C 542 175.419 175.419 175.867 -0.448 25007 527 1 1 . 1 1 542 542 GLU CA C 542 57.108 57.108 56.570 0.538 25007 528 1 1 . 1 1 542 542 GLU CB C 542 31.266 31.266 29.141 2.125 25007 529 1 1 . 1 1 542 542 GLU H H 542 8.742 8.742 8.576 0.166 25007 530 1 2 . 1 1 451 451 HIS HA H 451 4.656 4.656 4.638 0.018 25007 531 1 2 . 1 1 451 451 HIS C C 451 174.793 174.793 173.515 1.278 25007 532 1 2 . 1 1 451 451 HIS CA C 451 55.947 55.947 56.667 -0.720 25007 533 1 2 . 1 1 451 451 HIS CB C 451 29.903 29.903 30.359 -0.456 25007 534 1 2 . 1 1 452 452 MET N N 452 123.193 123.193 121.816 1.377 25007 535 1 2 . 1 1 452 452 MET C C 452 173.991 173.991 173.946 0.045 25007 536 1 2 . 1 1 452 452 MET CA C 452 53.192 53.192 52.840 0.352 25007 537 1 2 . 1 1 452 452 MET CB C 452 31.977 31.977 33.980 -2.003 25007 538 1 2 . 1 1 452 452 MET H H 452 8.342 8.342 8.037 0.305 25007 539 1 2 . 1 1 453 453 PRO HA H 453 4.293 4.293 4.452 -0.159 25007 540 1 2 . 1 1 453 453 PRO C C 453 175.733 175.733 176.187 -0.454 25007 541 1 2 . 1 1 453 453 PRO CA C 453 62.734 62.734 62.427 0.307 25007 542 1 2 . 1 1 453 453 PRO CB C 453 32.139 32.139 32.114 0.025 25007 543 1 2 . 1 1 454 454 VAL N N 454 122.227 122.227 123.330 -1.103 25007 544 1 2 . 1 1 454 454 VAL HA H 454 3.732 3.732 3.861 -0.129 25007 545 1 2 . 1 1 454 454 VAL C C 454 175.296 175.296 174.877 0.419 25007 546 1 2 . 1 1 454 454 VAL CA C 454 63.126 63.126 62.803 0.323 25007 547 1 2 . 1 1 454 454 VAL CB C 454 32.085 32.085 31.558 0.527 25007 548 1 2 . 1 1 454 454 VAL H H 454 7.799 7.799 8.336 -0.537 25007 549 1 2 . 1 1 455 455 LEU N N 455 129.419 129.419 127.697 1.722 25007 550 1 2 . 1 1 455 455 LEU HA H 455 4.435 4.435 4.773 -0.338 25007 551 1 2 . 1 1 455 455 LEU C C 455 176.294 176.294 175.215 1.079 25007 552 1 2 . 1 1 455 455 LEU CA C 455 52.797 52.797 53.041 -0.244 25007 553 1 2 . 1 1 455 455 LEU CB C 455 43.631 43.631 46.150 -2.519 25007 554 1 2 . 1 1 455 455 LEU H H 455 8.571 8.571 8.061 0.510 25007 555 1 2 . 1 1 456 456 ILE N N 456 120.867 120.867 120.759 0.108 25007 556 1 2 . 1 1 456 456 ILE HA H 456 4.229 4.229 4.713 -0.484 25007 557 1 2 . 1 1 456 456 ILE C C 456 176.619 176.619 176.009 0.610 25007 558 1 2 . 1 1 456 456 ILE CA C 456 60.780 60.780 60.638 0.142 25007 559 1 2 . 1 1 456 456 ILE CB C 456 36.796 36.796 38.038 -1.242 25007 560 1 2 . 1 1 456 456 ILE H H 456 8.507 8.507 8.391 0.116 25007 561 1 2 . 1 1 457 457 THR N N 457 120.915 120.915 120.386 0.529 25007 562 1 2 . 1 1 457 457 THR HA H 457 4.285 4.285 4.273 0.012 25007 563 1 2 . 1 1 457 457 THR C C 457 175.963 175.963 175.153 0.810 25007 564 1 2 . 1 1 457 457 THR CA C 457 62.753 62.753 63.378 -0.625 25007 565 1 2 . 1 1 457 457 THR CB C 457 67.879 67.879 69.668 -1.789 25007 566 1 2 . 1 1 457 457 THR H H 457 8.657 8.657 8.391 0.266 25007 567 1 2 . 1 1 458 458 ARG N N 458 122.699 122.699 123.553 -0.854 25007 568 1 2 . 1 1 458 458 ARG HA H 458 4.923 4.923 4.760 0.163 25007 569 1 2 . 1 1 458 458 ARG C C 458 173.213 173.213 173.919 -0.706 25007 570 1 2 . 1 1 458 458 ARG CA C 458 53.918 53.918 52.843 1.075 25007 571 1 2 . 1 1 458 458 ARG CB C 458 32.559 32.559 29.958 2.601 25007 572 1 2 . 1 1 458 458 ARG H H 458 7.552 7.552 7.571 -0.019 25007 573 1 2 . 1 1 459 459 PRO HA H 459 4.298 4.298 4.429 -0.131 25007 574 1 2 . 1 1 459 459 PRO C C 459 175.741 175.741 176.271 -0.530 25007 575 1 2 . 1 1 459 459 PRO CA C 459 62.575 62.575 62.391 0.184 25007 576 1 2 . 1 1 459 459 PRO CB C 459 32.551 32.551 32.506 0.045 25007 577 1 2 . 1 1 460 460 LEU N N 460 115.474 115.474 120.388 -4.914 25007 578 1 2 . 1 1 460 460 LEU HA H 460 4.563 4.563 4.509 0.054 25007 579 1 2 . 1 1 460 460 LEU C C 460 176.142 176.142 178.223 -2.081 25007 580 1 2 . 1 1 460 460 LEU CA C 460 55.013 55.013 54.505 0.508 25007 581 1 2 . 1 1 460 460 LEU CB C 460 45.292 45.292 42.247 3.045 25007 582 1 2 . 1 1 460 460 LEU H H 460 6.157 6.157 8.200 -2.043 25007 583 1 2 . 1 1 461 461 GLU N N 461 120.613 120.613 119.350 1.263 25007 584 1 2 . 1 1 461 461 GLU HA H 461 4.795 4.795 4.304 0.491 25007 585 1 2 . 1 1 461 461 GLU C C 461 175.540 175.540 176.536 -0.996 25007 586 1 2 . 1 1 461 461 GLU CA C 461 54.657 54.657 56.908 -2.251 25007 587 1 2 . 1 1 461 461 GLU CB C 461 32.600 32.600 30.686 1.914 25007 588 1 2 . 1 1 461 461 GLU H H 461 8.387 8.387 8.851 -0.464 25007 589 1 2 . 1 1 462 462 ASP N N 462 122.579 122.579 121.163 1.416 25007 590 1 2 . 1 1 462 462 ASP HA H 462 5.031 5.031 4.730 0.301 25007 591 1 2 . 1 1 462 462 ASP C C 462 176.359 176.359 175.575 0.784 25007 592 1 2 . 1 1 462 462 ASP CA C 462 55.433 55.433 54.293 1.140 25007 593 1 2 . 1 1 462 462 ASP CB C 462 41.069 41.069 41.025 0.044 25007 594 1 2 . 1 1 462 462 ASP H H 462 8.599 8.599 8.597 0.002 25007 595 1 2 . 1 1 463 463 GLN N N 463 117.028 117.028 117.525 -0.497 25007 596 1 2 . 1 1 463 463 GLN HA H 463 4.667 4.667 4.501 0.166 25007 597 1 2 . 1 1 463 463 GLN C C 463 173.563 173.563 174.143 -0.580 25007 598 1 2 . 1 1 463 463 GLN CA C 463 54.227 54.227 55.032 -0.805 25007 599 1 2 . 1 1 463 463 GLN CB C 463 33.204 33.204 30.855 2.349 25007 600 1 2 . 1 1 463 463 GLN H H 463 8.755 8.755 7.790 0.965 25007 601 1 2 . 1 1 464 464 LEU N N 464 127.581 127.581 117.022 10.559 25007 602 1 2 . 1 1 464 464 LEU HA H 464 5.307 5.307 4.980 0.327 25007 603 1 2 . 1 1 464 464 LEU C C 464 175.838 175.838 175.769 0.069 25007 604 1 2 . 1 1 464 464 LEU CA C 464 54.667 54.667 53.767 0.900 25007 605 1 2 . 1 1 464 464 LEU CB C 464 44.018 44.018 43.595 0.423 25007 606 1 2 . 1 1 464 464 LEU H H 464 8.415 8.415 8.280 0.135 25007 607 1 2 . 1 1 465 465 VAL N N 465 119.279 119.279 115.381 3.898 25007 608 1 2 . 1 1 465 465 VAL HA H 465 4.774 4.774 4.456 0.318 25007 609 1 2 . 1 1 465 465 VAL C C 465 173.711 173.711 174.648 -0.937 25007 610 1 2 . 1 1 465 465 VAL CA C 465 58.517 58.517 59.472 -0.955 25007 611 1 2 . 1 1 465 465 VAL CB C 465 36.110 36.110 35.572 0.538 25007 612 1 2 . 1 1 465 465 VAL H H 465 8.695 8.695 7.773 0.922 25007 613 1 2 . 1 1 466 466 MET N N 466 119.214 119.214 118.743 0.471 25007 614 1 2 . 1 1 466 466 MET HA H 466 5.247 5.247 5.315 -0.068 25007 615 1 2 . 1 1 466 466 MET C C 466 176.491 176.491 177.049 -0.558 25007 616 1 2 . 1 1 466 466 MET CA C 466 52.783 52.783 54.158 -1.375 25007 617 1 2 . 1 1 466 466 MET CB C 466 33.609 33.609 34.249 -0.640 25007 618 1 2 . 1 1 466 466 MET H H 466 8.073 8.073 8.255 -0.182 25007 619 1 2 . 1 1 467 467 VAL N N 467 119.566 119.566 120.062 -0.496 25007 620 1 2 . 1 1 467 467 VAL HA H 467 3.420 3.420 4.080 -0.660 25007 621 1 2 . 1 1 467 467 VAL C C 467 176.899 176.899 177.599 -0.700 25007 622 1 2 . 1 1 467 467 VAL CA C 467 64.475 64.475 63.841 0.634 25007 623 1 2 . 1 1 467 467 VAL CB C 467 32.180 32.180 31.380 0.800 25007 624 1 2 . 1 1 467 467 VAL H H 467 7.891 7.891 8.150 -0.259 25007 625 1 2 . 1 1 468 468 GLY N N 468 115.391 115.391 115.092 0.299 25007 626 1 2 . 1 1 468 468 GLY C C 468 174.446 174.446 173.471 0.975 25007 627 1 2 . 1 1 468 468 GLY CA C 468 44.690 44.690 45.064 -0.374 25007 628 1 2 . 1 1 468 468 GLY H H 468 9.784 9.784 8.396 1.388 25007 629 1 2 . 1 1 469 469 GLN N N 469 120.312 120.312 120.748 -0.436 25007 630 1 2 . 1 1 469 469 GLN HA H 469 4.396 4.396 4.479 -0.083 25007 631 1 2 . 1 1 469 469 GLN C C 469 174.534 174.534 175.398 -0.864 25007 632 1 2 . 1 1 469 469 GLN CA C 469 55.882 55.882 54.517 1.365 25007 633 1 2 . 1 1 469 469 GLN CB C 469 30.330 30.330 31.058 -0.728 25007 634 1 2 . 1 1 469 469 GLN H H 469 7.948 7.948 7.565 0.383 25007 635 1 2 . 1 1 470 470 ARG N N 470 122.876 122.876 123.589 -0.713 25007 636 1 2 . 1 1 470 470 ARG HA H 470 4.559 4.559 5.194 -0.635 25007 637 1 2 . 1 1 470 470 ARG C C 470 175.944 175.944 175.584 0.360 25007 638 1 2 . 1 1 470 470 ARG CA C 470 55.425 55.425 55.938 -0.513 25007 639 1 2 . 1 1 470 470 ARG CB C 470 31.418 31.418 30.974 0.443 25007 640 1 2 . 1 1 470 470 ARG H H 470 8.133 8.133 8.466 -0.333 25007 641 1 2 . 1 1 471 471 VAL N N 471 126.868 126.868 122.043 4.825 25007 642 1 2 . 1 1 471 471 VAL HA H 471 4.125 4.125 4.248 -0.123 25007 643 1 2 . 1 1 471 471 VAL C C 471 173.258 173.258 173.644 -0.386 25007 644 1 2 . 1 1 471 471 VAL CA C 471 60.324 60.324 60.365 -0.041 25007 645 1 2 . 1 1 471 471 VAL CB C 471 34.719 34.719 36.164 -1.445 25007 646 1 2 . 1 1 471 471 VAL H H 471 8.809 8.809 8.570 0.239 25007 647 1 2 . 1 1 472 472 GLU N N 472 126.535 126.535 127.675 -1.140 25007 648 1 2 . 1 1 472 472 GLU HA H 472 5.064 5.064 4.660 0.404 25007 649 1 2 . 1 1 472 472 GLU C C 472 175.149 175.149 175.195 -0.046 25007 650 1 2 . 1 1 472 472 GLU CA C 472 54.581 54.581 55.371 -0.790 25007 651 1 2 . 1 1 472 472 GLU CB C 472 32.264 32.264 31.277 0.987 25007 652 1 2 . 1 1 472 472 GLU H H 472 8.650 8.650 8.265 0.385 25007 653 1 2 . 1 1 473 473 PHE N N 473 125.481 125.481 124.174 1.307 25007 654 1 2 . 1 1 473 473 PHE HA H 473 4.731 4.731 4.812 -0.081 25007 655 1 2 . 1 1 473 473 PHE C C 473 175.039 175.039 174.118 0.921 25007 656 1 2 . 1 1 473 473 PHE CA C 473 57.568 57.568 56.952 0.616 25007 657 1 2 . 1 1 473 473 PHE CB C 473 41.957 41.957 41.436 0.521 25007 658 1 2 . 1 1 473 473 PHE H H 473 9.269 9.269 8.990 0.279 25007 659 1 2 . 1 1 474 474 GLU N N 474 120.740 120.740 124.124 -3.384 25007 660 1 2 . 1 1 474 474 GLU HA H 474 5.345 5.345 5.749 -0.404 25007 661 1 2 . 1 1 474 474 GLU C C 474 174.352 174.352 176.042 -1.690 25007 662 1 2 . 1 1 474 474 GLU CA C 474 54.701 54.701 54.091 0.610 25007 663 1 2 . 1 1 474 474 GLU CB C 474 33.357 33.357 33.247 0.110 25007 664 1 2 . 1 1 474 474 GLU H H 474 8.464 8.464 8.765 -0.301 25007 665 1 2 . 1 1 475 475 CYS N N 475 121.489 121.489 119.533 1.956 25007 666 1 2 . 1 1 475 475 CYS HA H 475 4.808 4.808 5.496 -0.688 25007 667 1 2 . 1 1 475 475 CYS C C 475 172.098 172.098 173.669 -1.571 25007 668 1 2 . 1 1 475 475 CYS CA C 475 56.609 56.609 56.244 0.365 25007 669 1 2 . 1 1 475 475 CYS CB C 475 30.959 30.959 32.019 -1.060 25007 670 1 2 . 1 1 475 475 CYS H H 475 8.975 8.975 9.135 -0.160 25007 671 1 2 . 1 1 476 476 GLU N N 476 123.429 123.429 121.725 1.704 25007 672 1 2 . 1 1 476 476 GLU HA H 476 5.508 5.508 5.233 0.275 25007 673 1 2 . 1 1 476 476 GLU C C 476 175.188 175.188 175.909 -0.721 25007 674 1 2 . 1 1 476 476 GLU CA C 476 55.034 55.034 54.832 0.202 25007 675 1 2 . 1 1 476 476 GLU CB C 476 34.226 34.226 32.654 1.572 25007 676 1 2 . 1 1 476 476 GLU H H 476 8.550 8.550 8.319 0.231 25007 677 1 2 . 1 1 477 477 VAL N N 477 116.564 116.564 117.817 -1.253 25007 678 1 2 . 1 1 477 477 VAL HA H 477 5.411 5.411 5.259 0.152 25007 679 1 2 . 1 1 477 477 VAL C C 477 177.337 177.337 175.654 1.683 25007 680 1 2 . 1 1 477 477 VAL CA C 477 58.807 58.807 58.781 0.026 25007 681 1 2 . 1 1 477 477 VAL CB C 477 33.847 33.847 34.499 -0.652 25007 682 1 2 . 1 1 477 477 VAL H H 477 8.713 8.713 8.231 0.482 25007 683 1 2 . 1 1 478 478 SER N N 478 111.232 111.232 115.275 -4.043 25007 684 1 2 . 1 1 478 478 SER HA H 478 4.040 4.040 4.292 -0.252 25007 685 1 2 . 1 1 478 478 SER C C 478 173.819 173.819 174.323 -0.504 25007 686 1 2 . 1 1 478 478 SER CA C 478 61.120 61.120 61.126 -0.006 25007 687 1 2 . 1 1 478 478 SER CB C 478 63.537 63.537 63.600 -0.063 25007 688 1 2 . 1 1 478 478 SER H H 478 8.756 8.756 8.298 0.458 25007 689 1 2 . 1 1 479 479 GLU N N 479 116.963 116.963 119.439 -2.476 25007 690 1 2 . 1 1 479 479 GLU HA H 479 4.846 4.846 4.501 0.345 25007 691 1 2 . 1 1 479 479 GLU C C 479 175.936 175.936 174.969 0.967 25007 692 1 2 . 1 1 479 479 GLU CA C 479 54.505 54.505 54.622 -0.117 25007 693 1 2 . 1 1 479 479 GLU CB C 479 33.938 33.938 32.020 1.918 25007 694 1 2 . 1 1 479 479 GLU H H 479 6.771 6.771 7.717 -0.946 25007 695 1 2 . 1 1 480 480 GLU N N 480 124.445 124.445 124.889 -0.444 25007 696 1 2 . 1 1 480 480 GLU HA H 480 4.402 4.402 4.371 0.031 25007 697 1 2 . 1 1 480 480 GLU C C 480 176.539 176.539 176.834 -0.295 25007 698 1 2 . 1 1 480 480 GLU CA C 480 57.860 57.860 56.511 1.349 25007 699 1 2 . 1 1 480 480 GLU CB C 480 30.072 30.072 28.710 1.362 25007 700 1 2 . 1 1 480 480 GLU H H 480 9.224 9.224 8.774 0.450 25007 701 1 2 . 1 1 481 481 GLY C C 481 174.358 174.358 174.315 0.043 25007 702 1 2 . 1 1 481 481 GLY CA C 481 45.799 45.799 45.659 0.140 25007 703 1 2 . 1 1 482 482 ALA N N 482 121.272 121.272 121.568 -0.296 25007 704 1 2 . 1 1 482 482 ALA HA H 482 4.369 4.369 4.355 0.014 25007 705 1 2 . 1 1 482 482 ALA C C 482 177.182 177.182 177.649 -0.467 25007 706 1 2 . 1 1 482 482 ALA CA C 482 52.389 52.389 52.398 -0.008 25007 707 1 2 . 1 1 482 482 ALA CB C 482 20.558 20.558 19.853 0.705 25007 708 1 2 . 1 1 482 482 ALA H H 482 7.407 7.407 7.414 -0.007 25007 709 1 2 . 1 1 483 483 GLN N N 483 121.348 121.348 120.637 0.711 25007 710 1 2 . 1 1 483 483 GLN HA H 483 4.434 4.434 4.333 0.101 25007 711 1 2 . 1 1 483 483 GLN C C 483 175.702 175.702 175.328 0.374 25007 712 1 2 . 1 1 483 483 GLN CA C 483 55.355 55.355 55.731 -0.376 25007 713 1 2 . 1 1 483 483 GLN CB C 483 28.785 28.785 28.041 0.744 25007 714 1 2 . 1 1 483 483 GLN H H 483 8.508 8.508 8.616 -0.108 25007 715 1 2 . 1 1 484 484 VAL N N 484 118.367 118.367 117.540 0.827 25007 716 1 2 . 1 1 484 484 VAL HA H 484 4.907 4.907 4.439 0.468 25007 717 1 2 . 1 1 484 484 VAL C C 484 174.865 174.865 174.596 0.269 25007 718 1 2 . 1 1 484 484 VAL CA C 484 58.403 58.403 59.205 -0.802 25007 719 1 2 . 1 1 484 484 VAL CB C 484 34.477 34.477 34.315 0.162 25007 720 1 2 . 1 1 484 484 VAL H H 484 8.269 8.269 8.053 0.216 25007 721 1 2 . 1 1 485 485 LYS N N 485 119.929 119.929 123.766 -3.837 25007 722 1 2 . 1 1 485 485 LYS HA H 485 4.586 4.586 4.634 -0.048 25007 723 1 2 . 1 1 485 485 LYS C C 485 173.947 173.947 174.896 -0.949 25007 724 1 2 . 1 1 485 485 LYS CA C 485 54.986 54.986 54.930 0.056 25007 725 1 2 . 1 1 485 485 LYS CB C 485 36.634 36.634 35.827 0.807 25007 726 1 2 . 1 1 485 485 LYS H H 485 8.013 8.013 8.294 -0.281 25007 727 1 2 . 1 1 486 486 TRP N N 486 123.614 123.614 125.289 -1.675 25007 728 1 2 . 1 1 486 486 TRP HA H 486 5.602 5.602 4.833 0.769 25007 729 1 2 . 1 1 486 486 TRP C C 486 175.998 175.998 175.626 0.372 25007 730 1 2 . 1 1 486 486 TRP CA C 486 55.808 55.808 56.669 -0.861 25007 731 1 2 . 1 1 486 486 TRP CB C 486 32.003 32.003 30.913 1.090 25007 732 1 2 . 1 1 486 486 TRP H H 486 8.776 8.776 8.802 -0.026 25007 733 1 2 . 1 1 487 487 LEU N N 487 121.275 121.275 123.784 -2.509 25007 734 1 2 . 1 1 487 487 LEU HA H 487 5.181 5.181 5.409 -0.228 25007 735 1 2 . 1 1 487 487 LEU C C 487 175.805 175.805 175.274 0.531 25007 736 1 2 . 1 1 487 487 LEU CA C 487 53.541 53.541 54.108 -0.568 25007 737 1 2 . 1 1 487 487 LEU CB C 487 46.105 46.105 46.673 -0.568 25007 738 1 2 . 1 1 487 487 LEU H H 487 9.581 9.581 9.253 0.328 25007 739 1 2 . 1 1 488 488 LYS N N 488 119.146 119.146 121.508 -2.362 25007 740 1 2 . 1 1 488 488 LYS HA H 488 4.439 4.439 5.087 -0.648 25007 741 1 2 . 1 1 488 488 LYS C C 488 176.682 176.682 176.288 0.394 25007 742 1 2 . 1 1 488 488 LYS CA C 488 55.102 55.102 54.949 0.153 25007 743 1 2 . 1 1 488 488 LYS CB C 488 35.535 35.535 34.230 1.305 25007 744 1 2 . 1 1 488 488 LYS H H 488 8.681 8.681 9.094 -0.413 25007 745 1 2 . 1 1 489 489 ASP N N 489 130.284 130.284 128.591 1.693 25007 746 1 2 . 1 1 489 489 ASP HA H 489 4.361 4.361 4.333 0.028 25007 747 1 2 . 1 1 489 489 ASP C C 489 176.145 176.145 176.121 0.024 25007 748 1 2 . 1 1 489 489 ASP CA C 489 55.968 55.968 55.795 0.173 25007 749 1 2 . 1 1 489 489 ASP CB C 489 40.051 40.051 40.097 -0.046 25007 750 1 2 . 1 1 489 489 ASP H H 489 9.860 9.860 9.404 0.456 25007 751 1 2 . 1 1 490 490 GLY N N 490 101.712 101.712 102.999 -1.287 25007 752 1 2 . 1 1 490 490 GLY C C 490 173.542 173.542 174.493 -0.951 25007 753 1 2 . 1 1 490 490 GLY CA C 490 45.240 45.240 45.044 0.196 25007 754 1 2 . 1 1 490 490 GLY H H 490 8.668 8.668 8.679 -0.011 25007 755 1 2 . 1 1 491 491 VAL N N 491 123.365 123.365 123.885 -0.520 25007 756 1 2 . 1 1 491 491 VAL HA H 491 4.168 4.168 4.040 0.128 25007 757 1 2 . 1 1 491 491 VAL C C 491 175.179 175.179 175.134 0.045 25007 758 1 2 . 1 1 491 491 VAL CA C 491 61.629 61.629 62.249 -0.620 25007 759 1 2 . 1 1 491 491 VAL CB C 491 33.515 33.515 32.329 1.186 25007 760 1 2 . 1 1 491 491 VAL H H 491 7.917 7.917 7.670 0.247 25007 761 1 2 . 1 1 492 492 GLU N N 492 127.979 127.979 128.766 -0.787 25007 762 1 2 . 1 1 492 492 GLU HA H 492 4.395 4.395 4.635 -0.240 25007 763 1 2 . 1 1 492 492 GLU C C 492 176.695 176.695 176.320 0.375 25007 764 1 2 . 1 1 492 492 GLU CA C 492 57.585 57.585 56.110 1.475 25007 765 1 2 . 1 1 492 492 GLU CB C 492 29.870 29.870 30.586 -0.716 25007 766 1 2 . 1 1 492 492 GLU H H 492 8.759 8.759 8.802 -0.043 25007 767 1 2 . 1 1 493 493 LEU N N 493 127.568 127.568 129.636 -2.068 25007 768 1 2 . 1 1 493 493 LEU HA H 493 4.539 4.539 4.566 -0.027 25007 769 1 2 . 1 1 493 493 LEU C C 493 176.807 176.807 176.874 -0.067 25007 770 1 2 . 1 1 493 493 LEU CA C 493 54.305 54.305 54.190 0.115 25007 771 1 2 . 1 1 493 493 LEU CB C 493 41.768 41.768 41.304 0.464 25007 772 1 2 . 1 1 493 493 LEU H H 493 8.884 8.884 8.822 0.062 25007 773 1 2 . 1 1 494 494 THR N N 494 115.006 115.006 119.368 -4.362 25007 774 1 2 . 1 1 494 494 THR HA H 494 4.462 4.462 4.314 0.148 25007 775 1 2 . 1 1 494 494 THR C C 494 174.638 174.638 174.832 -0.194 25007 776 1 2 . 1 1 494 494 THR CA C 494 61.263 61.263 61.639 -0.376 25007 777 1 2 . 1 1 494 494 THR CB C 494 70.112 70.112 70.705 -0.593 25007 778 1 2 . 1 1 494 494 THR H H 494 8.315 8.315 8.361 -0.046 25007 779 1 2 . 1 1 495 495 ARG N N 495 121.376 121.376 122.143 -0.767 25007 780 1 2 . 1 1 495 495 ARG HA H 495 4.236 4.236 4.680 -0.444 25007 781 1 2 . 1 1 495 495 ARG C C 495 176.661 176.661 177.607 -0.946 25007 782 1 2 . 1 1 495 495 ARG CA C 495 56.528 56.528 56.583 -0.055 25007 783 1 2 . 1 1 495 495 ARG CB C 495 29.747 29.747 30.166 -0.419 25007 784 1 2 . 1 1 495 495 ARG H H 495 8.442 8.442 8.496 -0.054 25007 785 1 2 . 1 1 496 496 GLU N N 496 120.213 120.213 121.409 -1.196 25007 786 1 2 . 1 1 496 496 GLU HA H 496 4.300 4.300 4.039 0.261 25007 787 1 2 . 1 1 496 496 GLU C C 496 176.615 176.615 176.163 0.452 25007 788 1 2 . 1 1 496 496 GLU CA C 496 57.036 57.036 59.092 -2.055 25007 789 1 2 . 1 1 496 496 GLU CB C 496 30.369 30.369 29.894 0.475 25007 790 1 2 . 1 1 496 496 GLU H H 496 8.230 8.230 7.963 0.267 25007 791 1 2 . 1 1 497 497 GLU N N 497 120.969 120.969 118.278 2.691 25007 792 1 2 . 1 1 497 497 GLU HA H 497 4.432 4.432 4.354 0.078 25007 793 1 2 . 1 1 497 497 GLU C C 497 176.587 176.587 175.145 1.442 25007 794 1 2 . 1 1 497 497 GLU CA C 497 56.731 56.731 55.626 1.105 25007 795 1 2 . 1 1 497 497 GLU CB C 497 29.467 29.467 30.083 -0.616 25007 796 1 2 . 1 1 497 497 GLU H H 497 8.286 8.286 8.005 0.281 25007 797 1 2 . 1 1 498 498 THR N N 498 114.281 114.281 115.656 -1.375 25007 798 1 2 . 1 1 498 498 THR HA H 498 4.540 4.540 4.585 -0.045 25007 799 1 2 . 1 1 498 498 THR C C 498 174.512 174.512 173.386 1.126 25007 800 1 2 . 1 1 498 498 THR CA C 498 61.494 61.494 61.017 0.477 25007 801 1 2 . 1 1 498 498 THR CB C 498 70.298 70.298 68.818 1.480 25007 802 1 2 . 1 1 498 498 THR H H 498 8.192 8.192 8.187 0.005 25007 803 1 2 . 1 1 499 499 PHE N N 499 119.424 119.424 122.712 -3.288 25007 804 1 2 . 1 1 499 499 PHE HA H 499 4.557 4.557 4.556 0.001 25007 805 1 2 . 1 1 499 499 PHE C C 499 176.196 176.196 176.847 -0.651 25007 806 1 2 . 1 1 499 499 PHE CA C 499 58.536 58.536 59.280 -0.744 25007 807 1 2 . 1 1 499 499 PHE CB C 499 38.497 38.497 39.691 -1.194 25007 808 1 2 . 1 1 499 499 PHE H H 499 8.191 8.191 8.400 -0.209 25007 809 1 2 . 1 1 500 500 LYS N N 500 120.866 120.866 118.447 2.419 25007 810 1 2 . 1 1 500 500 LYS HA H 500 4.011 4.011 4.216 -0.205 25007 811 1 2 . 1 1 500 500 LYS C C 500 175.712 175.712 175.232 0.480 25007 812 1 2 . 1 1 500 500 LYS CA C 500 57.773 57.773 58.026 -0.253 25007 813 1 2 . 1 1 500 500 LYS CB C 500 33.363 33.363 33.164 0.198 25007 814 1 2 . 1 1 500 500 LYS H H 500 7.848 7.848 8.193 -0.345 25007 815 1 2 . 1 1 501 501 TYR N N 501 114.937 114.937 116.137 -1.200 25007 816 1 2 . 1 1 501 501 TYR HA H 501 5.313 5.313 4.850 0.463 25007 817 1 2 . 1 1 501 501 TYR C C 501 175.113 175.113 175.821 -0.708 25007 818 1 2 . 1 1 501 501 TYR CA C 501 55.044 55.044 56.648 -1.604 25007 819 1 2 . 1 1 501 501 TYR CB C 501 41.727 41.727 39.615 2.112 25007 820 1 2 . 1 1 501 501 TYR H H 501 7.214 7.214 7.502 -0.288 25007 821 1 2 . 1 1 502 502 ARG N N 502 119.116 119.116 120.922 -1.806 25007 822 1 2 . 1 1 502 502 ARG HA H 502 4.543 4.543 4.543 0.000 25007 823 1 2 . 1 1 502 502 ARG C C 502 173.549 173.549 173.966 -0.417 25007 824 1 2 . 1 1 502 502 ARG CA C 502 54.462 54.462 54.264 0.198 25007 825 1 2 . 1 1 502 502 ARG CB C 502 32.980 32.980 34.204 -1.224 25007 826 1 2 . 1 1 502 502 ARG H H 502 8.663 8.663 8.488 0.175 25007 827 1 2 . 1 1 503 503 PHE N N 503 121.105 121.105 123.325 -2.220 25007 828 1 2 . 1 1 503 503 PHE HA H 503 5.281 5.281 5.553 -0.272 25007 829 1 2 . 1 1 503 503 PHE C C 503 176.268 176.268 176.189 0.079 25007 830 1 2 . 1 1 503 503 PHE CA C 503 55.736 55.736 56.867 -1.131 25007 831 1 2 . 1 1 503 503 PHE CB C 503 41.345 41.345 40.747 0.598 25007 832 1 2 . 1 1 503 503 PHE H H 503 8.691 8.691 8.633 0.058 25007 833 1 2 . 1 1 504 504 LYS N N 504 121.191 121.191 124.944 -3.753 25007 834 1 2 . 1 1 504 504 LYS HA H 504 4.892 4.892 4.811 0.081 25007 835 1 2 . 1 1 504 504 LYS C C 504 174.929 174.929 175.188 -0.259 25007 836 1 2 . 1 1 504 504 LYS CA C 504 55.269 55.269 54.560 0.709 25007 837 1 2 . 1 1 504 504 LYS CB C 504 36.405 36.405 35.311 1.094 25007 838 1 2 . 1 1 504 504 LYS H H 504 8.914 8.914 8.956 -0.042 25007 839 1 2 . 1 1 505 505 LYS N N 505 126.575 126.575 124.190 2.385 25007 840 1 2 . 1 1 505 505 LYS HA H 505 4.860 4.860 4.593 0.267 25007 841 1 2 . 1 1 505 505 LYS C C 505 174.542 174.542 175.370 -0.828 25007 842 1 2 . 1 1 505 505 LYS CA C 505 55.484 55.484 55.672 -0.188 25007 843 1 2 . 1 1 505 505 LYS CB C 505 34.831 34.831 34.499 0.332 25007 844 1 2 . 1 1 505 505 LYS H H 505 8.822 8.822 8.786 0.036 25007 845 1 2 . 1 1 506 506 ASP N N 506 125.932 125.932 129.022 -3.090 25007 846 1 2 . 1 1 506 506 ASP HA H 506 4.814 4.814 4.943 -0.129 25007 847 1 2 . 1 1 506 506 ASP C C 506 176.075 176.075 176.187 -0.112 25007 848 1 2 . 1 1 506 506 ASP CA C 506 52.597 52.597 53.640 -1.043 25007 849 1 2 . 1 1 506 506 ASP CB C 506 41.813 41.813 41.325 0.488 25007 850 1 2 . 1 1 506 506 ASP H H 506 8.911 8.911 8.762 0.149 25007 851 1 2 . 1 1 507 507 GLY N N 507 114.443 114.443 111.289 3.154 25007 852 1 2 . 1 1 507 507 GLY C C 507 175.318 175.318 175.421 -0.103 25007 853 1 2 . 1 1 507 507 GLY CA C 507 47.542 47.542 46.577 0.965 25007 854 1 2 . 1 1 507 507 GLY H H 507 8.989 8.989 8.437 0.552 25007 855 1 2 . 1 1 508 508 GLN N N 508 128.587 128.587 123.939 4.648 25007 856 1 2 . 1 1 508 508 GLN HA H 508 4.546 4.546 4.416 0.130 25007 857 1 2 . 1 1 508 508 GLN C C 508 174.087 174.087 176.474 -2.387 25007 858 1 2 . 1 1 508 508 GLN CA C 508 57.107 57.107 56.567 0.540 25007 859 1 2 . 1 1 508 508 GLN CB C 508 30.198 30.198 29.695 0.503 25007 860 1 2 . 1 1 508 508 GLN H H 508 9.426 9.426 8.354 1.072 25007 861 1 2 . 1 1 509 509 ARG N N 509 120.282 120.282 119.412 0.870 25007 862 1 2 . 1 1 509 509 ARG HA H 509 4.971 4.971 5.062 -0.091 25007 863 1 2 . 1 1 509 509 ARG C C 509 174.531 174.531 175.148 -0.617 25007 864 1 2 . 1 1 509 509 ARG CA C 509 56.149 56.149 54.974 1.175 25007 865 1 2 . 1 1 509 509 ARG CB C 509 31.984 31.984 31.739 0.245 25007 866 1 2 . 1 1 509 509 ARG H H 509 8.185 8.185 7.595 0.590 25007 867 1 2 . 1 1 510 510 HIS N N 510 122.738 122.738 123.239 -0.501 25007 868 1 2 . 1 1 510 510 HIS HA H 510 5.128 5.128 5.589 -0.461 25007 869 1 2 . 1 1 510 510 HIS C C 510 174.763 174.763 174.571 0.192 25007 870 1 2 . 1 1 510 510 HIS CA C 510 56.499 56.499 54.605 1.894 25007 871 1 2 . 1 1 510 510 HIS CB C 510 35.219 35.219 33.501 1.718 25007 872 1 2 . 1 1 510 510 HIS H H 510 8.766 8.766 9.279 -0.513 25007 873 1 2 . 1 1 511 511 HIS N N 511 118.975 118.975 120.750 -1.775 25007 874 1 2 . 1 1 511 511 HIS HA H 511 6.074 6.074 5.273 0.801 25007 875 1 2 . 1 1 511 511 HIS C C 511 173.805 173.805 173.789 0.016 25007 876 1 2 . 1 1 511 511 HIS CA C 511 53.886 53.886 54.990 -1.104 25007 877 1 2 . 1 1 511 511 HIS CB C 511 33.159 33.159 32.330 0.829 25007 878 1 2 . 1 1 511 511 HIS H H 511 9.314 9.314 9.456 -0.142 25007 879 1 2 . 1 1 512 512 LEU N N 512 125.887 125.887 128.095 -2.208 25007 880 1 2 . 1 1 512 512 LEU HA H 512 4.382 4.382 4.651 -0.269 25007 881 1 2 . 1 1 512 512 LEU C C 512 174.018 174.018 174.316 -0.298 25007 882 1 2 . 1 1 512 512 LEU CA C 512 54.038 54.038 53.123 0.915 25007 883 1 2 . 1 1 512 512 LEU CB C 512 42.246 42.246 42.787 -0.541 25007 884 1 2 . 1 1 512 512 LEU H H 512 8.403 8.403 9.283 -0.880 25007 885 1 2 . 1 1 513 513 ILE N N 513 127.359 127.359 129.046 -1.687 25007 886 1 2 . 1 1 513 513 ILE HA H 513 4.953 4.953 4.774 0.179 25007 887 1 2 . 1 1 513 513 ILE C C 513 175.456 175.456 173.983 1.473 25007 888 1 2 . 1 1 513 513 ILE CA C 513 59.184 59.184 58.664 0.520 25007 889 1 2 . 1 1 513 513 ILE CB C 513 40.899 40.899 40.241 0.658 25007 890 1 2 . 1 1 513 513 ILE H H 513 8.885 8.885 8.824 0.061 25007 891 1 2 . 1 1 514 514 ILE N N 514 126.969 126.969 131.083 -4.114 25007 892 1 2 . 1 1 514 514 ILE HA H 514 4.391 4.391 4.667 -0.276 25007 893 1 2 . 1 1 514 514 ILE C C 514 175.544 175.544 175.874 -0.330 25007 894 1 2 . 1 1 514 514 ILE CA C 514 60.181 60.181 60.955 -0.774 25007 895 1 2 . 1 1 514 514 ILE CB C 514 39.580 39.580 37.415 2.165 25007 896 1 2 . 1 1 514 514 ILE H H 514 8.929 8.929 8.763 0.166 25007 897 1 2 . 1 1 515 515 ASN N N 515 124.537 124.537 126.006 -1.469 25007 898 1 2 . 1 1 515 515 ASN HA H 515 4.187 4.187 4.539 -0.352 25007 899 1 2 . 1 1 515 515 ASN C C 515 174.955 174.955 175.525 -0.570 25007 900 1 2 . 1 1 515 515 ASN CA C 515 57.082 57.082 56.087 0.995 25007 901 1 2 . 1 1 515 515 ASN CB C 515 38.847 38.847 39.148 -0.301 25007 902 1 2 . 1 1 515 515 ASN H H 515 8.112 8.112 8.632 -0.520 25007 903 1 2 . 1 1 516 516 GLU N N 516 117.395 117.395 119.291 -1.896 25007 904 1 2 . 1 1 516 516 GLU HA H 516 3.780 3.780 4.458 -0.678 25007 905 1 2 . 1 1 516 516 GLU C C 516 173.992 173.992 174.339 -0.347 25007 906 1 2 . 1 1 516 516 GLU CA C 516 55.067 55.067 55.407 -0.340 25007 907 1 2 . 1 1 516 516 GLU CB C 516 31.592 31.592 31.317 0.275 25007 908 1 2 . 1 1 516 516 GLU H H 516 8.156 8.156 7.553 0.603 25007 909 1 2 . 1 1 517 517 ALA N N 517 125.988 125.988 129.531 -3.543 25007 910 1 2 . 1 1 517 517 ALA HA H 517 4.145 4.145 4.707 -0.562 25007 911 1 2 . 1 1 517 517 ALA C C 517 177.314 177.314 176.058 1.256 25007 912 1 2 . 1 1 517 517 ALA CA C 517 53.495 53.495 51.603 1.892 25007 913 1 2 . 1 1 517 517 ALA CB C 517 18.842 18.842 20.634 -1.792 25007 914 1 2 . 1 1 517 517 ALA H H 517 8.703 8.703 8.197 0.506 25007 915 1 2 . 1 1 518 518 MET N N 518 123.199 123.199 119.673 3.526 25007 916 1 2 . 1 1 518 518 MET HA H 518 4.845 4.845 4.746 0.099 25007 917 1 2 . 1 1 518 518 MET C C 518 177.647 177.647 176.988 0.659 25007 918 1 2 . 1 1 518 518 MET CA C 518 53.070 53.070 53.681 -0.611 25007 919 1 2 . 1 1 518 518 MET CB C 518 35.877 35.877 34.802 1.075 25007 920 1 2 . 1 1 518 518 MET H H 518 9.802 9.802 8.531 1.271 25007 921 1 2 . 1 1 519 519 LEU N N 519 123.266 123.266 122.299 0.967 25007 922 1 2 . 1 1 519 519 LEU HA H 519 3.822 3.822 4.111 -0.289 25007 923 1 2 . 1 1 519 519 LEU C C 519 180.760 180.760 179.486 1.274 25007 924 1 2 . 1 1 519 519 LEU CA C 519 59.358 59.358 58.680 0.678 25007 925 1 2 . 1 1 519 519 LEU CB C 519 40.910 40.910 41.068 -0.158 25007 926 1 2 . 1 1 519 519 LEU H H 519 9.097 9.097 8.675 0.422 25007 927 1 2 . 1 1 520 520 GLU N N 520 115.379 115.379 118.150 -2.771 25007 928 1 2 . 1 1 520 520 GLU HA H 520 4.243 4.243 4.179 0.064 25007 929 1 2 . 1 1 520 520 GLU C C 520 176.447 176.447 178.708 -2.261 25007 930 1 2 . 1 1 520 520 GLU CA C 520 58.255 58.255 58.499 -0.244 25007 931 1 2 . 1 1 520 520 GLU CB C 520 28.497 28.497 29.329 -0.832 25007 932 1 2 . 1 1 520 520 GLU H H 520 9.071 9.071 8.679 0.392 25007 933 1 2 . 1 1 521 521 ASP N N 521 117.057 117.057 120.870 -3.813 25007 934 1 2 . 1 1 521 521 ASP HA H 521 4.650 4.650 4.574 0.076 25007 935 1 2 . 1 1 521 521 ASP C C 521 176.747 176.747 177.965 -1.218 25007 936 1 2 . 1 1 521 521 ASP CA C 521 55.790 55.790 57.963 -2.173 25007 937 1 2 . 1 1 521 521 ASP CB C 521 40.882 40.882 40.679 0.203 25007 938 1 2 . 1 1 521 521 ASP H H 521 8.089 8.089 8.476 -0.387 25007 939 1 2 . 1 1 522 522 ALA N N 522 123.576 123.576 121.029 2.547 25007 940 1 2 . 1 1 522 522 ALA HA H 522 4.138 4.138 4.258 -0.120 25007 941 1 2 . 1 1 522 522 ALA C C 522 176.493 176.493 178.002 -1.509 25007 942 1 2 . 1 1 522 522 ALA CA C 522 53.668 53.668 53.758 -0.090 25007 943 1 2 . 1 1 522 522 ALA CB C 522 19.822 19.822 19.099 0.723 25007 944 1 2 . 1 1 522 522 ALA H H 522 7.560 7.560 7.369 0.191 25007 945 1 2 . 1 1 523 523 GLY N N 523 107.939 107.939 107.338 0.601 25007 946 1 2 . 1 1 523 523 GLY C C 523 171.581 171.581 173.454 -1.873 25007 947 1 2 . 1 1 523 523 GLY CA C 523 44.966 44.966 45.294 -0.328 25007 948 1 2 . 1 1 523 523 GLY H H 523 8.486 8.486 7.627 0.859 25007 949 1 2 . 1 1 524 524 HIS N N 524 119.624 119.624 119.421 0.203 25007 950 1 2 . 1 1 524 524 HIS HA H 524 5.284 5.284 4.927 0.357 25007 951 1 2 . 1 1 524 524 HIS C C 524 174.529 174.529 174.748 -0.219 25007 952 1 2 . 1 1 524 524 HIS CA C 524 55.966 55.966 55.227 0.738 25007 953 1 2 . 1 1 524 524 HIS CB C 524 29.911 29.911 29.755 0.156 25007 954 1 2 . 1 1 524 524 HIS H H 524 9.138 9.138 8.961 0.177 25007 955 1 2 . 1 1 525 525 TYR N N 525 127.402 127.402 126.060 1.342 25007 956 1 2 . 1 1 525 525 TYR HA H 525 5.188 5.188 5.009 0.179 25007 957 1 2 . 1 1 525 525 TYR C C 525 173.765 173.765 174.706 -0.941 25007 958 1 2 . 1 1 525 525 TYR CA C 525 57.235 57.235 57.140 0.095 25007 959 1 2 . 1 1 525 525 TYR CB C 525 40.847 40.847 38.709 2.138 25007 960 1 2 . 1 1 525 525 TYR H H 525 9.571 9.571 7.979 1.592 25007 961 1 2 . 1 1 526 526 ALA N N 526 121.895 121.895 125.910 -4.015 25007 962 1 2 . 1 1 526 526 ALA HA H 526 5.595 5.595 5.141 0.454 25007 963 1 2 . 1 1 526 526 ALA C C 526 175.256 175.256 174.808 0.448 25007 964 1 2 . 1 1 526 526 ALA CA C 526 49.674 49.674 50.246 -0.572 25007 965 1 2 . 1 1 526 526 ALA CB C 526 24.106 24.106 22.771 1.335 25007 966 1 2 . 1 1 526 526 ALA H H 526 9.096 9.096 9.356 -0.260 25007 967 1 2 . 1 1 527 527 LEU N N 527 121.830 121.830 124.755 -2.925 25007 968 1 2 . 1 1 527 527 LEU HA H 527 4.566 4.566 4.776 -0.210 25007 969 1 2 . 1 1 527 527 LEU C C 527 175.945 175.945 175.005 0.940 25007 970 1 2 . 1 1 527 527 LEU CA C 527 52.867 52.867 53.639 -0.771 25007 971 1 2 . 1 1 527 527 LEU CB C 527 42.946 42.946 44.004 -1.058 25007 972 1 2 . 1 1 527 527 LEU H H 527 8.164 8.164 7.920 0.244 25007 973 1 2 . 1 1 528 528 CYS N N 528 122.905 122.905 129.212 -6.307 25007 974 1 2 . 1 1 528 528 CYS HA H 528 4.983 4.983 4.719 0.264 25007 975 1 2 . 1 1 528 528 CYS C C 528 174.337 174.337 174.040 0.297 25007 976 1 2 . 1 1 528 528 CYS CA C 528 57.228 57.228 57.427 -0.199 25007 977 1 2 . 1 1 528 528 CYS CB C 528 29.887 29.887 28.806 1.081 25007 978 1 2 . 1 1 528 528 CYS H H 528 8.974 8.974 8.977 -0.003 25007 979 1 2 . 1 1 529 529 THR N N 529 116.293 116.293 120.951 -4.658 25007 980 1 2 . 1 1 529 529 THR HA H 529 4.693 4.693 4.802 -0.109 25007 981 1 2 . 1 1 529 529 THR C C 529 175.292 175.292 175.477 -0.185 25007 982 1 2 . 1 1 529 529 THR CA C 529 59.531 59.531 59.818 -0.287 25007 983 1 2 . 1 1 529 529 THR CB C 529 71.282 71.282 70.880 0.402 25007 984 1 2 . 1 1 529 529 THR H H 529 8.660 8.660 7.836 0.824 25007 985 1 2 . 1 1 530 530 SER N N 530 115.090 115.090 115.896 -0.806 25007 986 1 2 . 1 1 530 530 SER HA H 530 4.255 4.255 4.186 0.069 25007 987 1 2 . 1 1 530 530 SER C C 530 175.719 175.719 175.232 0.487 25007 988 1 2 . 1 1 530 530 SER CA C 530 59.970 59.970 60.105 -0.135 25007 989 1 2 . 1 1 530 530 SER CB C 530 62.914 62.914 62.776 0.138 25007 990 1 2 . 1 1 530 530 SER H H 530 9.373 9.373 8.755 0.618 25007 991 1 2 . 1 1 531 531 GLY N N 531 108.629 108.629 106.740 1.889 25007 992 1 2 . 1 1 531 531 GLY C C 531 173.708 173.708 173.757 -0.049 25007 993 1 2 . 1 1 531 531 GLY CA C 531 45.032 45.032 44.797 0.235 25007 994 1 2 . 1 1 531 531 GLY H H 531 8.145 8.145 7.303 0.842 25007 995 1 2 . 1 1 532 532 GLY N N 532 109.085 109.085 108.118 0.967 25007 996 1 2 . 1 1 532 532 GLY C C 532 170.571 170.571 172.271 -1.700 25007 997 1 2 . 1 1 532 532 GLY CA C 532 45.443 45.443 44.248 1.195 25007 998 1 2 . 1 1 532 532 GLY H H 532 7.518 7.518 8.183 -0.665 25007 999 1 2 . 1 1 533 533 GLN N N 533 116.769 116.769 121.726 -4.957 25007 1000 1 2 . 1 1 533 533 GLN HA H 533 5.329 5.329 4.675 0.654 25007 1001 1 2 . 1 1 533 533 GLN C C 533 174.087 174.087 174.725 -0.638 25007 1002 1 2 . 1 1 533 533 GLN CA C 533 54.453 54.453 54.621 -0.168 25007 1003 1 2 . 1 1 533 533 GLN CB C 533 32.474 32.474 30.680 1.794 25007 1004 1 2 . 1 1 533 533 GLN H H 533 8.302 8.302 8.362 -0.060 25007 1005 1 2 . 1 1 534 534 ALA N N 534 126.978 126.978 129.071 -2.093 25007 1006 1 2 . 1 1 534 534 ALA HA H 534 4.845 4.845 4.669 0.176 25007 1007 1 2 . 1 1 534 534 ALA C C 534 174.509 174.509 174.277 0.232 25007 1008 1 2 . 1 1 534 534 ALA CA C 534 50.792 50.792 51.341 -0.549 25007 1009 1 2 . 1 1 534 534 ALA CB C 534 22.023 22.023 21.282 0.741 25007 1010 1 2 . 1 1 534 534 ALA H H 534 8.863 8.863 8.723 0.140 25007 1011 1 2 . 1 1 535 535 LEU N N 535 122.725 122.725 124.190 -1.465 25007 1012 1 2 . 1 1 535 535 LEU HA H 535 5.386 5.386 5.304 0.082 25007 1013 1 2 . 1 1 535 535 LEU C C 535 176.477 176.477 175.484 0.993 25007 1014 1 2 . 1 1 535 535 LEU CA C 535 54.253 54.253 53.675 0.578 25007 1015 1 2 . 1 1 535 535 LEU CB C 535 46.315 46.315 44.428 1.887 25007 1016 1 2 . 1 1 535 535 LEU H H 535 8.438 8.438 8.283 0.155 25007 1017 1 2 . 1 1 536 536 ALA N N 536 125.405 125.405 129.436 -4.031 25007 1018 1 2 . 1 1 536 536 ALA HA H 536 4.740 4.740 4.796 -0.056 25007 1019 1 2 . 1 1 536 536 ALA C C 536 174.310 174.310 174.818 -0.508 25007 1020 1 2 . 1 1 536 536 ALA CA C 536 51.928 51.928 50.989 0.939 25007 1021 1 2 . 1 1 536 536 ALA CB C 536 24.477 24.477 22.587 1.889 25007 1022 1 2 . 1 1 536 536 ALA H H 536 9.336 9.336 8.987 0.349 25007 1023 1 2 . 1 1 537 537 GLU N N 537 121.895 121.895 120.574 1.321 25007 1024 1 2 . 1 1 537 537 GLU HA H 537 4.919 4.919 4.580 0.339 25007 1025 1 2 . 1 1 537 537 GLU C C 537 174.790 174.790 174.866 -0.076 25007 1026 1 2 . 1 1 537 537 GLU CA C 537 54.758 54.758 55.617 -0.859 25007 1027 1 2 . 1 1 537 537 GLU CB C 537 32.505 32.505 32.711 -0.206 25007 1028 1 2 . 1 1 537 537 GLU H H 537 9.296 9.296 8.819 0.477 25007 1029 1 2 . 1 1 538 538 LEU N N 538 125.064 125.064 129.027 -3.963 25007 1030 1 2 . 1 1 538 538 LEU HA H 538 5.365 5.365 4.900 0.465 25007 1031 1 2 . 1 1 538 538 LEU C C 538 175.931 175.931 175.250 0.681 25007 1032 1 2 . 1 1 538 538 LEU CA C 538 53.389 53.389 54.169 -0.780 25007 1033 1 2 . 1 1 538 538 LEU CB C 538 45.315 45.315 44.492 0.823 25007 1034 1 2 . 1 1 538 538 LEU H H 538 9.274 9.274 7.942 1.332 25007 1035 1 2 . 1 1 539 539 ILE N N 539 130.885 130.885 127.828 3.057 25007 1036 1 2 . 1 1 539 539 ILE HA H 539 4.282 4.282 4.197 0.085 25007 1037 1 2 . 1 1 539 539 ILE C C 539 173.958 173.958 174.764 -0.806 25007 1038 1 2 . 1 1 539 539 ILE CA C 539 61.171 61.171 59.920 1.251 25007 1039 1 2 . 1 1 539 539 ILE CB C 539 39.901 39.901 38.875 1.026 25007 1040 1 2 . 1 1 539 539 ILE H H 539 8.867 8.867 8.576 0.291 25007 1041 1 2 . 1 1 540 540 VAL N N 540 125.478 125.478 128.651 -3.173 25007 1042 1 2 . 1 1 540 540 VAL HA H 540 4.770 4.770 4.762 0.008 25007 1043 1 2 . 1 1 540 540 VAL C C 540 174.948 174.948 175.749 -0.801 25007 1044 1 2 . 1 1 540 540 VAL CA C 540 60.316 60.316 61.405 -1.089 25007 1045 1 2 . 1 1 540 540 VAL CB C 540 33.691 33.691 32.917 0.774 25007 1046 1 2 . 1 1 540 540 VAL H H 540 7.880 7.880 8.555 -0.675 25007 1047 1 2 . 1 1 541 541 GLN N N 541 126.082 126.082 127.286 -1.204 25007 1048 1 2 . 1 1 541 541 GLN HA H 541 4.618 4.618 4.706 -0.088 25007 1049 1 2 . 1 1 541 541 GLN C C 541 174.952 174.952 174.602 0.350 25007 1050 1 2 . 1 1 541 541 GLN CA C 541 54.372 54.372 53.741 0.631 25007 1051 1 2 . 1 1 541 541 GLN CB C 541 31.571 31.571 32.211 -0.640 25007 1052 1 2 . 1 1 541 541 GLN H H 541 9.066 9.066 8.296 0.770 25007 1053 1 2 . 1 1 542 542 GLU N N 542 122.178 122.178 122.421 -0.243 25007 1054 1 2 . 1 1 542 542 GLU HA H 542 4.312 4.312 4.537 -0.225 25007 1055 1 2 . 1 1 542 542 GLU C C 542 175.419 175.419 174.822 0.597 25007 1056 1 2 . 1 1 542 542 GLU CA C 542 57.108 57.108 56.079 1.029 25007 1057 1 2 . 1 1 542 542 GLU CB C 542 31.266 31.266 29.960 1.306 25007 1058 1 2 . 1 1 542 542 GLU H H 542 8.742 8.742 8.705 0.037 25007 1059 1 3 . 1 1 451 451 HIS HA H 451 4.656 4.656 4.607 0.049 25007 1060 1 3 . 1 1 451 451 HIS C C 451 174.793 174.793 174.342 0.451 25007 1061 1 3 . 1 1 451 451 HIS CA C 451 55.947 55.947 55.564 0.383 25007 1062 1 3 . 1 1 451 451 HIS CB C 451 29.903 29.903 29.562 0.341 25007 1063 1 3 . 1 1 452 452 MET N N 452 123.193 123.193 123.266 -0.073 25007 1064 1 3 . 1 1 452 452 MET C C 452 173.991 173.991 174.009 -0.018 25007 1065 1 3 . 1 1 452 452 MET CA C 452 53.192 53.192 53.198 -0.006 25007 1066 1 3 . 1 1 452 452 MET CB C 452 31.977 31.977 32.089 -0.112 25007 1067 1 3 . 1 1 452 452 MET H H 452 8.342 8.342 8.256 0.086 25007 1068 1 3 . 1 1 453 453 PRO HA H 453 4.293 4.293 4.441 -0.148 25007 1069 1 3 . 1 1 453 453 PRO C C 453 175.733 175.733 176.393 -0.660 25007 1070 1 3 . 1 1 453 453 PRO CA C 453 62.734 62.734 62.269 0.465 25007 1071 1 3 . 1 1 453 453 PRO CB C 453 32.139 32.139 32.291 -0.152 25007 1072 1 3 . 1 1 454 454 VAL N N 454 122.227 122.227 123.522 -1.295 25007 1073 1 3 . 1 1 454 454 VAL HA H 454 3.732 3.732 3.856 -0.124 25007 1074 1 3 . 1 1 454 454 VAL C C 454 175.296 175.296 175.165 0.131 25007 1075 1 3 . 1 1 454 454 VAL CA C 454 63.126 63.126 62.580 0.546 25007 1076 1 3 . 1 1 454 454 VAL CB C 454 32.085 32.085 32.000 0.085 25007 1077 1 3 . 1 1 454 454 VAL H H 454 7.799 7.799 8.379 -0.580 25007 1078 1 3 . 1 1 455 455 LEU N N 455 129.419 129.419 129.303 0.116 25007 1079 1 3 . 1 1 455 455 LEU HA H 455 4.435 4.435 4.625 -0.190 25007 1080 1 3 . 1 1 455 455 LEU C C 455 176.294 176.294 175.235 1.059 25007 1081 1 3 . 1 1 455 455 LEU CA C 455 52.797 52.797 53.952 -1.155 25007 1082 1 3 . 1 1 455 455 LEU CB C 455 43.631 43.631 44.471 -0.840 25007 1083 1 3 . 1 1 455 455 LEU H H 455 8.571 8.571 8.030 0.541 25007 1084 1 3 . 1 1 456 456 ILE N N 456 120.867 120.867 125.043 -4.176 25007 1085 1 3 . 1 1 456 456 ILE HA H 456 4.229 4.229 4.562 -0.333 25007 1086 1 3 . 1 1 456 456 ILE C C 456 176.619 176.619 176.589 0.030 25007 1087 1 3 . 1 1 456 456 ILE CA C 456 60.780 60.780 61.014 -0.234 25007 1088 1 3 . 1 1 456 456 ILE CB C 456 36.796 36.796 37.915 -1.119 25007 1089 1 3 . 1 1 456 456 ILE H H 456 8.507 8.507 8.482 0.025 25007 1090 1 3 . 1 1 457 457 THR N N 457 120.915 120.915 121.946 -1.031 25007 1091 1 3 . 1 1 457 457 THR HA H 457 4.285 4.285 4.213 0.072 25007 1092 1 3 . 1 1 457 457 THR C C 457 175.963 175.963 174.977 0.986 25007 1093 1 3 . 1 1 457 457 THR CA C 457 62.753 62.753 63.347 -0.594 25007 1094 1 3 . 1 1 457 457 THR CB C 457 67.879 67.879 69.363 -1.484 25007 1095 1 3 . 1 1 457 457 THR H H 457 8.657 8.657 8.706 -0.049 25007 1096 1 3 . 1 1 458 458 ARG N N 458 122.699 122.699 123.862 -1.163 25007 1097 1 3 . 1 1 458 458 ARG HA H 458 4.923 4.923 4.714 0.209 25007 1098 1 3 . 1 1 458 458 ARG C C 458 173.213 173.213 174.097 -0.884 25007 1099 1 3 . 1 1 458 458 ARG CA C 458 53.918 53.918 52.976 0.942 25007 1100 1 3 . 1 1 458 458 ARG CB C 458 32.559 32.559 30.198 2.361 25007 1101 1 3 . 1 1 458 458 ARG H H 458 7.552 7.552 7.571 -0.019 25007 1102 1 3 . 1 1 459 459 PRO HA H 459 4.298 4.298 4.418 -0.120 25007 1103 1 3 . 1 1 459 459 PRO C C 459 175.741 175.741 176.100 -0.359 25007 1104 1 3 . 1 1 459 459 PRO CA C 459 62.575 62.575 62.407 0.168 25007 1105 1 3 . 1 1 459 459 PRO CB C 459 32.551 32.551 32.350 0.201 25007 1106 1 3 . 1 1 460 460 LEU N N 460 115.474 115.474 122.123 -6.649 25007 1107 1 3 . 1 1 460 460 LEU HA H 460 4.563 4.563 4.553 0.010 25007 1108 1 3 . 1 1 460 460 LEU C C 460 176.142 176.142 178.296 -2.154 25007 1109 1 3 . 1 1 460 460 LEU CA C 460 55.013 55.013 54.915 0.098 25007 1110 1 3 . 1 1 460 460 LEU CB C 460 45.292 45.292 42.229 3.063 25007 1111 1 3 . 1 1 460 460 LEU H H 460 6.157 6.157 8.395 -2.237 25007 1112 1 3 . 1 1 461 461 GLU N N 461 120.613 120.613 120.704 -0.091 25007 1113 1 3 . 1 1 461 461 GLU HA H 461 4.795 4.795 4.282 0.513 25007 1114 1 3 . 1 1 461 461 GLU C C 461 175.540 175.540 176.490 -0.950 25007 1115 1 3 . 1 1 461 461 GLU CA C 461 54.657 54.657 56.820 -2.163 25007 1116 1 3 . 1 1 461 461 GLU CB C 461 32.600 32.600 30.208 2.392 25007 1117 1 3 . 1 1 461 461 GLU H H 461 8.387 8.387 8.822 -0.435 25007 1118 1 3 . 1 1 462 462 ASP N N 462 122.579 122.579 120.828 1.751 25007 1119 1 3 . 1 1 462 462 ASP HA H 462 5.031 5.031 4.637 0.394 25007 1120 1 3 . 1 1 462 462 ASP C C 462 176.359 176.359 175.577 0.782 25007 1121 1 3 . 1 1 462 462 ASP CA C 462 55.433 55.433 54.094 1.339 25007 1122 1 3 . 1 1 462 462 ASP CB C 462 41.069 41.069 41.072 -0.003 25007 1123 1 3 . 1 1 462 462 ASP H H 462 8.599 8.599 8.572 0.027 25007 1124 1 3 . 1 1 463 463 GLN N N 463 117.028 117.028 119.387 -2.359 25007 1125 1 3 . 1 1 463 463 GLN HA H 463 4.667 4.667 4.471 0.196 25007 1126 1 3 . 1 1 463 463 GLN C C 463 173.563 173.563 174.810 -1.247 25007 1127 1 3 . 1 1 463 463 GLN CA C 463 54.227 54.227 54.932 -0.705 25007 1128 1 3 . 1 1 463 463 GLN CB C 463 33.204 33.204 30.770 2.434 25007 1129 1 3 . 1 1 463 463 GLN H H 463 8.755 8.755 7.691 1.064 25007 1130 1 3 . 1 1 464 464 LEU N N 464 127.581 127.581 119.603 7.978 25007 1131 1 3 . 1 1 464 464 LEU HA H 464 5.307 5.307 4.824 0.483 25007 1132 1 3 . 1 1 464 464 LEU C C 464 175.838 175.838 175.842 -0.004 25007 1133 1 3 . 1 1 464 464 LEU CA C 464 54.667 54.667 54.131 0.536 25007 1134 1 3 . 1 1 464 464 LEU CB C 464 44.018 44.018 43.198 0.820 25007 1135 1 3 . 1 1 464 464 LEU H H 464 8.415 8.415 8.283 0.132 25007 1136 1 3 . 1 1 465 465 VAL N N 465 119.279 119.279 117.150 2.129 25007 1137 1 3 . 1 1 465 465 VAL HA H 465 4.774 4.774 4.624 0.150 25007 1138 1 3 . 1 1 465 465 VAL C C 465 173.711 173.711 174.034 -0.323 25007 1139 1 3 . 1 1 465 465 VAL CA C 465 58.517 58.517 59.288 -0.772 25007 1140 1 3 . 1 1 465 465 VAL CB C 465 36.110 36.110 35.847 0.263 25007 1141 1 3 . 1 1 465 465 VAL H H 465 8.695 8.695 8.776 -0.081 25007 1142 1 3 . 1 1 466 466 MET N N 466 119.214 119.214 118.164 1.050 25007 1143 1 3 . 1 1 466 466 MET HA H 466 5.247 5.247 5.048 0.199 25007 1144 1 3 . 1 1 466 466 MET C C 466 176.491 176.491 176.538 -0.047 25007 1145 1 3 . 1 1 466 466 MET CA C 466 52.783 52.783 53.871 -1.088 25007 1146 1 3 . 1 1 466 466 MET CB C 466 33.609 33.609 35.929 -2.320 25007 1147 1 3 . 1 1 466 466 MET H H 466 8.073 8.073 8.166 -0.093 25007 1148 1 3 . 1 1 467 467 VAL N N 467 119.566 119.566 120.813 -1.247 25007 1149 1 3 . 1 1 467 467 VAL HA H 467 3.420 3.420 3.777 -0.357 25007 1150 1 3 . 1 1 467 467 VAL C C 467 176.899 176.899 177.234 -0.335 25007 1151 1 3 . 1 1 467 467 VAL CA C 467 64.475 64.475 64.805 -0.330 25007 1152 1 3 . 1 1 467 467 VAL CB C 467 32.180 32.180 31.183 0.997 25007 1153 1 3 . 1 1 467 467 VAL H H 467 7.891 7.891 8.211 -0.320 25007 1154 1 3 . 1 1 468 468 GLY N N 468 115.391 115.391 113.233 2.158 25007 1155 1 3 . 1 1 468 468 GLY C C 468 174.446 174.446 174.106 0.340 25007 1156 1 3 . 1 1 468 468 GLY CA C 468 44.690 44.690 45.044 -0.353 25007 1157 1 3 . 1 1 468 468 GLY H H 468 9.784 9.784 8.820 0.964 25007 1158 1 3 . 1 1 469 469 GLN N N 469 120.312 120.312 122.128 -1.816 25007 1159 1 3 . 1 1 469 469 GLN HA H 469 4.396 4.396 4.360 0.036 25007 1160 1 3 . 1 1 469 469 GLN C C 469 174.534 174.534 175.777 -1.243 25007 1161 1 3 . 1 1 469 469 GLN CA C 469 55.882 55.882 55.132 0.750 25007 1162 1 3 . 1 1 469 469 GLN CB C 469 30.330 30.330 30.194 0.136 25007 1163 1 3 . 1 1 469 469 GLN H H 469 7.948 7.948 7.847 0.101 25007 1164 1 3 . 1 1 470 470 ARG N N 470 122.876 122.876 125.589 -2.713 25007 1165 1 3 . 1 1 470 470 ARG HA H 470 4.559 4.559 5.029 -0.470 25007 1166 1 3 . 1 1 470 470 ARG C C 470 175.944 175.944 175.557 0.387 25007 1167 1 3 . 1 1 470 470 ARG CA C 470 55.425 55.425 56.085 -0.660 25007 1168 1 3 . 1 1 470 470 ARG CB C 470 31.418 31.418 30.332 1.085 25007 1169 1 3 . 1 1 470 470 ARG H H 470 8.133 8.133 8.541 -0.408 25007 1170 1 3 . 1 1 471 471 VAL N N 471 126.868 126.868 123.129 3.739 25007 1171 1 3 . 1 1 471 471 VAL HA H 471 4.125 4.125 4.262 -0.137 25007 1172 1 3 . 1 1 471 471 VAL C C 471 173.258 173.258 173.886 -0.628 25007 1173 1 3 . 1 1 471 471 VAL CA C 471 60.324 60.324 59.769 0.555 25007 1174 1 3 . 1 1 471 471 VAL CB C 471 34.719 34.719 34.528 0.191 25007 1175 1 3 . 1 1 471 471 VAL H H 471 8.809 8.809 8.107 0.702 25007 1176 1 3 . 1 1 472 472 GLU N N 472 126.535 126.535 127.943 -1.408 25007 1177 1 3 . 1 1 472 472 GLU HA H 472 5.064 5.064 4.567 0.497 25007 1178 1 3 . 1 1 472 472 GLU C C 472 175.149 175.149 174.959 0.190 25007 1179 1 3 . 1 1 472 472 GLU CA C 472 54.581 54.581 54.596 -0.015 25007 1180 1 3 . 1 1 472 472 GLU CB C 472 32.264 32.264 32.166 0.098 25007 1181 1 3 . 1 1 472 472 GLU H H 472 8.650 8.650 8.327 0.323 25007 1182 1 3 . 1 1 473 473 PHE N N 473 125.481 125.481 125.405 0.076 25007 1183 1 3 . 1 1 473 473 PHE HA H 473 4.731 4.731 4.920 -0.189 25007 1184 1 3 . 1 1 473 473 PHE C C 473 175.039 175.039 174.907 0.132 25007 1185 1 3 . 1 1 473 473 PHE CA C 473 57.568 57.568 57.114 0.454 25007 1186 1 3 . 1 1 473 473 PHE CB C 473 41.957 41.957 42.051 -0.094 25007 1187 1 3 . 1 1 473 473 PHE H H 473 9.269 9.269 8.289 0.980 25007 1188 1 3 . 1 1 474 474 GLU N N 474 120.740 120.740 122.721 -1.981 25007 1189 1 3 . 1 1 474 474 GLU HA H 474 5.345 5.345 4.841 0.504 25007 1190 1 3 . 1 1 474 474 GLU C C 474 174.352 174.352 175.100 -0.748 25007 1191 1 3 . 1 1 474 474 GLU CA C 474 54.701 54.701 54.529 0.172 25007 1192 1 3 . 1 1 474 474 GLU CB C 474 33.357 33.357 33.403 -0.046 25007 1193 1 3 . 1 1 474 474 GLU H H 474 8.464 8.464 10.176 -1.712 25007 1194 1 3 . 1 1 475 475 CYS N N 475 121.489 121.489 122.999 -1.510 25007 1195 1 3 . 1 1 475 475 CYS HA H 475 4.808 4.808 5.395 -0.587 25007 1196 1 3 . 1 1 475 475 CYS C C 475 172.098 172.098 173.417 -1.319 25007 1197 1 3 . 1 1 475 475 CYS CA C 475 56.609 56.609 56.050 0.559 25007 1198 1 3 . 1 1 475 475 CYS CB C 475 30.959 30.959 30.584 0.375 25007 1199 1 3 . 1 1 475 475 CYS H H 475 8.975 8.975 8.390 0.585 25007 1200 1 3 . 1 1 476 476 GLU N N 476 123.429 123.429 124.296 -0.867 25007 1201 1 3 . 1 1 476 476 GLU HA H 476 5.508 5.508 4.628 0.880 25007 1202 1 3 . 1 1 476 476 GLU C C 476 175.188 175.188 175.371 -0.183 25007 1203 1 3 . 1 1 476 476 GLU CA C 476 55.034 55.034 55.011 0.023 25007 1204 1 3 . 1 1 476 476 GLU CB C 476 34.226 34.226 32.139 2.087 25007 1205 1 3 . 1 1 476 476 GLU H H 476 8.550 8.550 8.540 0.010 25007 1206 1 3 . 1 1 477 477 VAL N N 477 116.564 116.564 118.902 -2.338 25007 1207 1 3 . 1 1 477 477 VAL HA H 477 5.411 5.411 5.033 0.378 25007 1208 1 3 . 1 1 477 477 VAL C C 477 177.337 177.337 175.477 1.860 25007 1209 1 3 . 1 1 477 477 VAL CA C 477 58.807 58.807 58.710 0.097 25007 1210 1 3 . 1 1 477 477 VAL CB C 477 33.847 33.847 34.353 -0.506 25007 1211 1 3 . 1 1 477 477 VAL H H 477 8.713 8.713 8.061 0.652 25007 1212 1 3 . 1 1 478 478 SER N N 478 111.232 111.232 117.247 -6.015 25007 1213 1 3 . 1 1 478 478 SER HA H 478 4.040 4.040 4.292 -0.252 25007 1214 1 3 . 1 1 478 478 SER C C 478 173.819 173.819 174.427 -0.608 25007 1215 1 3 . 1 1 478 478 SER CA C 478 61.120 61.120 60.900 0.220 25007 1216 1 3 . 1 1 478 478 SER CB C 478 63.537 63.537 63.657 -0.120 25007 1217 1 3 . 1 1 478 478 SER H H 478 8.756 8.756 8.557 0.199 25007 1218 1 3 . 1 1 479 479 GLU N N 479 116.963 116.963 121.023 -4.060 25007 1219 1 3 . 1 1 479 479 GLU HA H 479 4.846 4.846 4.432 0.414 25007 1220 1 3 . 1 1 479 479 GLU C C 479 175.936 175.936 175.267 0.669 25007 1221 1 3 . 1 1 479 479 GLU CA C 479 54.505 54.505 55.069 -0.564 25007 1222 1 3 . 1 1 479 479 GLU CB C 479 33.938 33.938 30.645 3.293 25007 1223 1 3 . 1 1 479 479 GLU H H 479 6.771 6.771 8.157 -1.386 25007 1224 1 3 . 1 1 480 480 GLU N N 480 124.445 124.445 126.346 -1.901 25007 1225 1 3 . 1 1 480 480 GLU HA H 480 4.402 4.402 4.183 0.219 25007 1226 1 3 . 1 1 480 480 GLU C C 480 176.539 176.539 177.018 -0.479 25007 1227 1 3 . 1 1 480 480 GLU CA C 480 57.860 57.860 56.662 1.198 25007 1228 1 3 . 1 1 480 480 GLU CB C 480 30.072 30.072 29.592 0.480 25007 1229 1 3 . 1 1 480 480 GLU H H 480 9.224 9.224 8.836 0.388 25007 1230 1 3 . 1 1 481 481 GLY C C 481 174.358 174.358 174.378 -0.020 25007 1231 1 3 . 1 1 481 481 GLY CA C 481 45.799 45.799 45.394 0.405 25007 1232 1 3 . 1 1 482 482 ALA N N 482 121.272 121.272 121.833 -0.561 25007 1233 1 3 . 1 1 482 482 ALA HA H 482 4.369 4.369 4.388 -0.019 25007 1234 1 3 . 1 1 482 482 ALA C C 482 177.182 177.182 177.145 0.037 25007 1235 1 3 . 1 1 482 482 ALA CA C 482 52.389 52.389 51.979 0.410 25007 1236 1 3 . 1 1 482 482 ALA CB C 482 20.558 20.558 20.041 0.517 25007 1237 1 3 . 1 1 482 482 ALA H H 482 7.407 7.407 7.400 0.007 25007 1238 1 3 . 1 1 483 483 GLN N N 483 121.348 121.348 121.079 0.269 25007 1239 1 3 . 1 1 483 483 GLN HA H 483 4.434 4.434 4.467 -0.033 25007 1240 1 3 . 1 1 483 483 GLN C C 483 175.702 175.702 174.935 0.767 25007 1241 1 3 . 1 1 483 483 GLN CA C 483 55.355 55.355 55.356 -0.001 25007 1242 1 3 . 1 1 483 483 GLN CB C 483 28.785 28.785 28.668 0.117 25007 1243 1 3 . 1 1 483 483 GLN H H 483 8.508 8.508 8.711 -0.203 25007 1244 1 3 . 1 1 484 484 VAL N N 484 118.367 118.367 119.455 -1.088 25007 1245 1 3 . 1 1 484 484 VAL HA H 484 4.907 4.907 4.712 0.195 25007 1246 1 3 . 1 1 484 484 VAL C C 484 174.865 174.865 174.918 -0.053 25007 1247 1 3 . 1 1 484 484 VAL CA C 484 58.403 58.403 59.420 -1.017 25007 1248 1 3 . 1 1 484 484 VAL CB C 484 34.477 34.477 34.979 -0.502 25007 1249 1 3 . 1 1 484 484 VAL H H 484 8.269 8.269 8.053 0.216 25007 1250 1 3 . 1 1 485 485 LYS N N 485 119.929 119.929 121.077 -1.148 25007 1251 1 3 . 1 1 485 485 LYS HA H 485 4.586 4.586 4.735 -0.149 25007 1252 1 3 . 1 1 485 485 LYS C C 485 173.947 173.947 175.011 -1.064 25007 1253 1 3 . 1 1 485 485 LYS CA C 485 54.986 54.986 54.689 0.297 25007 1254 1 3 . 1 1 485 485 LYS CB C 485 36.634 36.634 35.115 1.519 25007 1255 1 3 . 1 1 485 485 LYS H H 485 8.013 8.013 8.614 -0.601 25007 1256 1 3 . 1 1 486 486 TRP N N 486 123.614 123.614 122.456 1.158 25007 1257 1 3 . 1 1 486 486 TRP HA H 486 5.602 5.602 5.091 0.511 25007 1258 1 3 . 1 1 486 486 TRP C C 486 175.998 175.998 175.768 0.230 25007 1259 1 3 . 1 1 486 486 TRP CA C 486 55.808 55.808 56.404 -0.596 25007 1260 1 3 . 1 1 486 486 TRP CB C 486 32.003 32.003 30.903 1.100 25007 1261 1 3 . 1 1 486 486 TRP H H 486 8.776 8.776 8.832 -0.056 25007 1262 1 3 . 1 1 487 487 LEU N N 487 121.275 121.275 124.549 -3.274 25007 1263 1 3 . 1 1 487 487 LEU HA H 487 5.181 5.181 5.350 -0.169 25007 1264 1 3 . 1 1 487 487 LEU C C 487 175.805 175.805 175.752 0.053 25007 1265 1 3 . 1 1 487 487 LEU CA C 487 53.541 53.541 53.900 -0.359 25007 1266 1 3 . 1 1 487 487 LEU CB C 487 46.105 46.105 44.770 1.335 25007 1267 1 3 . 1 1 487 487 LEU H H 487 9.581 9.581 9.327 0.254 25007 1268 1 3 . 1 1 488 488 LYS N N 488 119.146 119.146 123.334 -4.188 25007 1269 1 3 . 1 1 488 488 LYS HA H 488 4.439 4.439 4.354 0.085 25007 1270 1 3 . 1 1 488 488 LYS C C 488 176.682 176.682 176.016 0.666 25007 1271 1 3 . 1 1 488 488 LYS CA C 488 55.102 55.102 54.716 0.386 25007 1272 1 3 . 1 1 488 488 LYS CB C 488 35.535 35.535 33.004 2.531 25007 1273 1 3 . 1 1 488 488 LYS H H 488 8.681 8.681 9.076 -0.395 25007 1274 1 3 . 1 1 489 489 ASP N N 489 130.284 130.284 127.779 2.505 25007 1275 1 3 . 1 1 489 489 ASP HA H 489 4.361 4.361 4.338 0.023 25007 1276 1 3 . 1 1 489 489 ASP C C 489 176.145 176.145 176.255 -0.110 25007 1277 1 3 . 1 1 489 489 ASP CA C 489 55.968 55.968 55.708 0.260 25007 1278 1 3 . 1 1 489 489 ASP CB C 489 40.051 40.051 39.460 0.591 25007 1279 1 3 . 1 1 489 489 ASP H H 489 9.860 9.860 9.308 0.552 25007 1280 1 3 . 1 1 490 490 GLY N N 490 101.712 101.712 102.589 -0.877 25007 1281 1 3 . 1 1 490 490 GLY C C 490 173.542 173.542 174.402 -0.860 25007 1282 1 3 . 1 1 490 490 GLY CA C 490 45.240 45.240 45.118 0.122 25007 1283 1 3 . 1 1 490 490 GLY H H 490 8.668 8.668 8.608 0.060 25007 1284 1 3 . 1 1 491 491 VAL N N 491 123.365 123.365 123.548 -0.183 25007 1285 1 3 . 1 1 491 491 VAL HA H 491 4.168 4.168 4.017 0.151 25007 1286 1 3 . 1 1 491 491 VAL C C 491 175.179 175.179 175.317 -0.138 25007 1287 1 3 . 1 1 491 491 VAL CA C 491 61.629 61.629 62.276 -0.646 25007 1288 1 3 . 1 1 491 491 VAL CB C 491 33.515 33.515 32.598 0.917 25007 1289 1 3 . 1 1 491 491 VAL H H 491 7.917 7.917 7.529 0.388 25007 1290 1 3 . 1 1 492 492 GLU N N 492 127.979 127.979 128.170 -0.191 25007 1291 1 3 . 1 1 492 492 GLU HA H 492 4.395 4.395 4.602 -0.207 25007 1292 1 3 . 1 1 492 492 GLU C C 492 176.695 176.695 176.571 0.124 25007 1293 1 3 . 1 1 492 492 GLU CA C 492 57.585 57.585 55.907 1.678 25007 1294 1 3 . 1 1 492 492 GLU CB C 492 29.870 29.870 30.445 -0.575 25007 1295 1 3 . 1 1 492 492 GLU H H 492 8.759 8.759 8.687 0.072 25007 1296 1 3 . 1 1 493 493 LEU N N 493 127.568 127.568 129.397 -1.829 25007 1297 1 3 . 1 1 493 493 LEU HA H 493 4.539 4.539 4.390 0.149 25007 1298 1 3 . 1 1 493 493 LEU C C 493 176.807 176.807 176.842 -0.035 25007 1299 1 3 . 1 1 493 493 LEU CA C 493 54.305 54.305 54.815 -0.510 25007 1300 1 3 . 1 1 493 493 LEU CB C 493 41.768 41.768 41.593 0.175 25007 1301 1 3 . 1 1 493 493 LEU H H 493 8.884 8.884 9.134 -0.250 25007 1302 1 3 . 1 1 494 494 THR N N 494 115.006 115.006 118.204 -3.198 25007 1303 1 3 . 1 1 494 494 THR HA H 494 4.462 4.462 4.376 0.086 25007 1304 1 3 . 1 1 494 494 THR C C 494 174.638 174.638 175.215 -0.577 25007 1305 1 3 . 1 1 494 494 THR CA C 494 61.263 61.263 61.520 -0.257 25007 1306 1 3 . 1 1 494 494 THR CB C 494 70.112 70.112 69.698 0.414 25007 1307 1 3 . 1 1 494 494 THR H H 494 8.315 8.315 8.336 -0.021 25007 1308 1 3 . 1 1 495 495 ARG N N 495 121.376 121.376 126.169 -4.793 25007 1309 1 3 . 1 1 495 495 ARG HA H 495 4.236 4.236 4.892 -0.656 25007 1310 1 3 . 1 1 495 495 ARG C C 495 176.661 176.661 176.952 -0.291 25007 1311 1 3 . 1 1 495 495 ARG CA C 495 56.528 56.528 55.180 1.348 25007 1312 1 3 . 1 1 495 495 ARG CB C 495 29.747 29.747 29.339 0.408 25007 1313 1 3 . 1 1 495 495 ARG H H 495 8.442 8.442 8.577 -0.135 25007 1314 1 3 . 1 1 496 496 GLU N N 496 120.213 120.213 121.668 -1.455 25007 1315 1 3 . 1 1 496 496 GLU HA H 496 4.300 4.300 4.069 0.231 25007 1316 1 3 . 1 1 496 496 GLU C C 496 176.615 176.615 176.086 0.529 25007 1317 1 3 . 1 1 496 496 GLU CA C 496 57.036 57.036 58.631 -1.595 25007 1318 1 3 . 1 1 496 496 GLU CB C 496 30.369 30.369 29.919 0.450 25007 1319 1 3 . 1 1 496 496 GLU H H 496 8.230 8.230 7.904 0.326 25007 1320 1 3 . 1 1 497 497 GLU N N 497 120.969 120.969 118.237 2.732 25007 1321 1 3 . 1 1 497 497 GLU HA H 497 4.432 4.432 4.341 0.091 25007 1322 1 3 . 1 1 497 497 GLU C C 497 176.587 176.587 174.863 1.724 25007 1323 1 3 . 1 1 497 497 GLU CA C 497 56.731 56.731 55.779 0.952 25007 1324 1 3 . 1 1 497 497 GLU CB C 497 29.467 29.467 30.776 -1.309 25007 1325 1 3 . 1 1 497 497 GLU H H 497 8.286 8.286 8.137 0.149 25007 1326 1 3 . 1 1 498 498 THR N N 498 114.281 114.281 116.933 -2.652 25007 1327 1 3 . 1 1 498 498 THR HA H 498 4.540 4.540 4.528 0.012 25007 1328 1 3 . 1 1 498 498 THR C C 498 174.512 174.512 173.811 0.701 25007 1329 1 3 . 1 1 498 498 THR CA C 498 61.494 61.494 61.828 -0.334 25007 1330 1 3 . 1 1 498 498 THR CB C 498 70.298 70.298 70.024 0.274 25007 1331 1 3 . 1 1 498 498 THR H H 498 8.192 8.192 8.162 0.030 25007 1332 1 3 . 1 1 499 499 PHE N N 499 119.424 119.424 123.262 -3.838 25007 1333 1 3 . 1 1 499 499 PHE HA H 499 4.557 4.557 4.631 -0.074 25007 1334 1 3 . 1 1 499 499 PHE C C 499 176.196 176.196 176.492 -0.296 25007 1335 1 3 . 1 1 499 499 PHE CA C 499 58.536 58.536 59.050 -0.514 25007 1336 1 3 . 1 1 499 499 PHE CB C 499 38.497 38.497 39.734 -1.238 25007 1337 1 3 . 1 1 499 499 PHE H H 499 8.191 8.191 8.471 -0.280 25007 1338 1 3 . 1 1 500 500 LYS N N 500 120.866 120.866 119.111 1.755 25007 1339 1 3 . 1 1 500 500 LYS HA H 500 4.011 4.011 4.150 -0.139 25007 1340 1 3 . 1 1 500 500 LYS C C 500 175.712 175.712 175.073 0.639 25007 1341 1 3 . 1 1 500 500 LYS CA C 500 57.773 57.773 57.651 0.122 25007 1342 1 3 . 1 1 500 500 LYS CB C 500 33.363 33.363 32.910 0.452 25007 1343 1 3 . 1 1 500 500 LYS H H 500 7.848 7.848 7.897 -0.049 25007 1344 1 3 . 1 1 501 501 TYR N N 501 114.937 114.937 115.784 -0.847 25007 1345 1 3 . 1 1 501 501 TYR HA H 501 5.313 5.313 5.455 -0.142 25007 1346 1 3 . 1 1 501 501 TYR C C 501 175.113 175.113 175.804 -0.691 25007 1347 1 3 . 1 1 501 501 TYR CA C 501 55.044 55.044 55.615 -0.571 25007 1348 1 3 . 1 1 501 501 TYR CB C 501 41.727 41.727 40.413 1.313 25007 1349 1 3 . 1 1 501 501 TYR H H 501 7.214 7.214 7.212 0.002 25007 1350 1 3 . 1 1 502 502 ARG N N 502 119.116 119.116 120.883 -1.767 25007 1351 1 3 . 1 1 502 502 ARG HA H 502 4.543 4.543 4.668 -0.125 25007 1352 1 3 . 1 1 502 502 ARG C C 502 173.549 173.549 174.259 -0.710 25007 1353 1 3 . 1 1 502 502 ARG CA C 502 54.462 54.462 54.828 -0.366 25007 1354 1 3 . 1 1 502 502 ARG CB C 502 32.980 32.980 33.792 -0.812 25007 1355 1 3 . 1 1 502 502 ARG H H 502 8.663 8.663 8.390 0.273 25007 1356 1 3 . 1 1 503 503 PHE N N 503 121.105 121.105 124.071 -2.966 25007 1357 1 3 . 1 1 503 503 PHE HA H 503 5.281 5.281 4.807 0.474 25007 1358 1 3 . 1 1 503 503 PHE C C 503 176.268 176.268 176.298 -0.030 25007 1359 1 3 . 1 1 503 503 PHE CA C 503 55.736 55.736 57.550 -1.814 25007 1360 1 3 . 1 1 503 503 PHE CB C 503 41.345 41.345 39.405 1.940 25007 1361 1 3 . 1 1 503 503 PHE H H 503 8.691 8.691 8.891 -0.200 25007 1362 1 3 . 1 1 504 504 LYS N N 504 121.191 121.191 125.941 -4.750 25007 1363 1 3 . 1 1 504 504 LYS HA H 504 4.892 4.892 4.752 0.140 25007 1364 1 3 . 1 1 504 504 LYS C C 504 174.929 174.929 175.274 -0.345 25007 1365 1 3 . 1 1 504 504 LYS CA C 504 55.269 55.269 55.134 0.135 25007 1366 1 3 . 1 1 504 504 LYS CB C 504 36.405 36.405 34.673 1.732 25007 1367 1 3 . 1 1 504 504 LYS H H 504 8.914 8.914 8.956 -0.042 25007 1368 1 3 . 1 1 505 505 LYS N N 505 126.575 126.575 127.563 -0.988 25007 1369 1 3 . 1 1 505 505 LYS HA H 505 4.860 4.860 4.447 0.413 25007 1370 1 3 . 1 1 505 505 LYS C C 505 174.542 174.542 175.542 -1.000 25007 1371 1 3 . 1 1 505 505 LYS CA C 505 55.484 55.484 55.944 -0.460 25007 1372 1 3 . 1 1 505 505 LYS CB C 505 34.831 34.831 33.574 1.257 25007 1373 1 3 . 1 1 505 505 LYS H H 505 8.822 8.822 8.947 -0.125 25007 1374 1 3 . 1 1 506 506 ASP N N 506 125.932 125.932 129.640 -3.708 25007 1375 1 3 . 1 1 506 506 ASP HA H 506 4.814 4.814 4.882 -0.068 25007 1376 1 3 . 1 1 506 506 ASP C C 506 176.075 176.075 176.116 -0.041 25007 1377 1 3 . 1 1 506 506 ASP CA C 506 52.597 52.597 53.589 -0.992 25007 1378 1 3 . 1 1 506 506 ASP CB C 506 41.813 41.813 41.721 0.092 25007 1379 1 3 . 1 1 506 506 ASP H H 506 8.911 8.911 8.520 0.391 25007 1380 1 3 . 1 1 507 507 GLY N N 507 114.443 114.443 112.139 2.304 25007 1381 1 3 . 1 1 507 507 GLY C C 507 175.318 175.318 175.265 0.053 25007 1382 1 3 . 1 1 507 507 GLY CA C 507 47.542 47.542 46.692 0.850 25007 1383 1 3 . 1 1 507 507 GLY H H 507 8.989 8.989 8.534 0.455 25007 1384 1 3 . 1 1 508 508 GLN N N 508 128.587 128.587 123.400 5.187 25007 1385 1 3 . 1 1 508 508 GLN HA H 508 4.546 4.546 4.297 0.249 25007 1386 1 3 . 1 1 508 508 GLN C C 508 174.087 174.087 176.547 -2.460 25007 1387 1 3 . 1 1 508 508 GLN CA C 508 57.107 57.107 56.392 0.715 25007 1388 1 3 . 1 1 508 508 GLN CB C 508 30.198 30.198 29.757 0.441 25007 1389 1 3 . 1 1 508 508 GLN H H 508 9.426 9.426 8.266 1.160 25007 1390 1 3 . 1 1 509 509 ARG N N 509 120.282 120.282 119.249 1.033 25007 1391 1 3 . 1 1 509 509 ARG HA H 509 4.971 4.971 5.072 -0.101 25007 1392 1 3 . 1 1 509 509 ARG C C 509 174.531 174.531 174.920 -0.389 25007 1393 1 3 . 1 1 509 509 ARG CA C 509 56.149 56.149 54.696 1.453 25007 1394 1 3 . 1 1 509 509 ARG CB C 509 31.984 31.984 32.760 -0.776 25007 1395 1 3 . 1 1 509 509 ARG H H 509 8.185 8.185 7.809 0.376 25007 1396 1 3 . 1 1 510 510 HIS N N 510 122.738 122.738 120.564 2.174 25007 1397 1 3 . 1 1 510 510 HIS HA H 510 5.128 5.128 5.609 -0.481 25007 1398 1 3 . 1 1 510 510 HIS C C 510 174.763 174.763 174.605 0.158 25007 1399 1 3 . 1 1 510 510 HIS CA C 510 56.499 56.499 54.604 1.895 25007 1400 1 3 . 1 1 510 510 HIS CB C 510 35.219 35.219 32.720 2.499 25007 1401 1 3 . 1 1 510 510 HIS H H 510 8.766 8.766 8.921 -0.155 25007 1402 1 3 . 1 1 511 511 HIS N N 511 118.975 118.975 124.443 -5.468 25007 1403 1 3 . 1 1 511 511 HIS HA H 511 6.074 6.074 5.137 0.937 25007 1404 1 3 . 1 1 511 511 HIS C C 511 173.805 173.805 173.772 0.033 25007 1405 1 3 . 1 1 511 511 HIS CA C 511 53.886 53.886 55.253 -1.367 25007 1406 1 3 . 1 1 511 511 HIS CB C 511 33.159 33.159 31.101 2.058 25007 1407 1 3 . 1 1 511 511 HIS H H 511 9.314 9.314 9.416 -0.102 25007 1408 1 3 . 1 1 512 512 LEU N N 512 125.887 125.887 128.932 -3.045 25007 1409 1 3 . 1 1 512 512 LEU HA H 512 4.382 4.382 4.590 -0.208 25007 1410 1 3 . 1 1 512 512 LEU C C 512 174.018 174.018 174.343 -0.325 25007 1411 1 3 . 1 1 512 512 LEU CA C 512 54.038 54.038 53.394 0.644 25007 1412 1 3 . 1 1 512 512 LEU CB C 512 42.246 42.246 42.511 -0.266 25007 1413 1 3 . 1 1 512 512 LEU H H 512 8.403 8.403 8.016 0.387 25007 1414 1 3 . 1 1 513 513 ILE N N 513 127.359 127.359 128.697 -1.338 25007 1415 1 3 . 1 1 513 513 ILE HA H 513 4.953 4.953 4.819 0.134 25007 1416 1 3 . 1 1 513 513 ILE C C 513 175.456 175.456 173.863 1.593 25007 1417 1 3 . 1 1 513 513 ILE CA C 513 59.184 59.184 58.723 0.461 25007 1418 1 3 . 1 1 513 513 ILE CB C 513 40.899 40.899 41.182 -0.283 25007 1419 1 3 . 1 1 513 513 ILE H H 513 8.885 8.885 7.982 0.903 25007 1420 1 3 . 1 1 514 514 ILE N N 514 126.969 126.969 130.550 -3.581 25007 1421 1 3 . 1 1 514 514 ILE HA H 514 4.391 4.391 4.885 -0.494 25007 1422 1 3 . 1 1 514 514 ILE C C 514 175.544 175.544 175.917 -0.373 25007 1423 1 3 . 1 1 514 514 ILE CA C 514 60.181 60.181 60.428 -0.247 25007 1424 1 3 . 1 1 514 514 ILE CB C 514 39.580 39.580 37.996 1.584 25007 1425 1 3 . 1 1 514 514 ILE H H 514 8.929 8.929 8.618 0.311 25007 1426 1 3 . 1 1 515 515 ASN N N 515 124.537 124.537 126.350 -1.813 25007 1427 1 3 . 1 1 515 515 ASN HA H 515 4.187 4.187 4.433 -0.246 25007 1428 1 3 . 1 1 515 515 ASN C C 515 174.955 174.955 175.182 -0.227 25007 1429 1 3 . 1 1 515 515 ASN CA C 515 57.082 57.082 55.813 1.269 25007 1430 1 3 . 1 1 515 515 ASN CB C 515 38.847 38.847 38.794 0.053 25007 1431 1 3 . 1 1 515 515 ASN H H 515 8.112 8.112 8.936 -0.824 25007 1432 1 3 . 1 1 516 516 GLU N N 516 117.395 117.395 118.294 -0.899 25007 1433 1 3 . 1 1 516 516 GLU HA H 516 3.780 3.780 4.574 -0.794 25007 1434 1 3 . 1 1 516 516 GLU C C 516 173.992 173.992 174.408 -0.416 25007 1435 1 3 . 1 1 516 516 GLU CA C 516 55.067 55.067 55.466 -0.399 25007 1436 1 3 . 1 1 516 516 GLU CB C 516 31.592 31.592 31.490 0.102 25007 1437 1 3 . 1 1 516 516 GLU H H 516 8.156 8.156 8.034 0.122 25007 1438 1 3 . 1 1 517 517 ALA N N 517 125.988 125.988 129.632 -3.644 25007 1439 1 3 . 1 1 517 517 ALA HA H 517 4.145 4.145 4.555 -0.410 25007 1440 1 3 . 1 1 517 517 ALA C C 517 177.314 177.314 176.520 0.794 25007 1441 1 3 . 1 1 517 517 ALA CA C 517 53.495 53.495 52.243 1.252 25007 1442 1 3 . 1 1 517 517 ALA CB C 517 18.842 18.842 19.835 -0.993 25007 1443 1 3 . 1 1 517 517 ALA H H 517 8.703 8.703 8.170 0.533 25007 1444 1 3 . 1 1 518 518 MET N N 518 123.199 123.199 121.206 1.993 25007 1445 1 3 . 1 1 518 518 MET HA H 518 4.845 4.845 4.623 0.222 25007 1446 1 3 . 1 1 518 518 MET C C 518 177.647 177.647 176.507 1.140 25007 1447 1 3 . 1 1 518 518 MET CA C 518 53.070 53.070 54.432 -1.363 25007 1448 1 3 . 1 1 518 518 MET CB C 518 35.877 35.877 33.606 2.271 25007 1449 1 3 . 1 1 518 518 MET H H 518 9.802 9.802 8.632 1.170 25007 1450 1 3 . 1 1 519 519 LEU N N 519 123.266 123.266 121.258 2.008 25007 1451 1 3 . 1 1 519 519 LEU HA H 519 3.822 3.822 4.171 -0.349 25007 1452 1 3 . 1 1 519 519 LEU C C 519 180.760 180.760 179.709 1.051 25007 1453 1 3 . 1 1 519 519 LEU CA C 519 59.358 59.358 58.538 0.820 25007 1454 1 3 . 1 1 519 519 LEU CB C 519 40.910 40.910 41.127 -0.217 25007 1455 1 3 . 1 1 519 519 LEU H H 519 9.097 9.097 8.479 0.618 25007 1456 1 3 . 1 1 520 520 GLU N N 520 115.379 115.379 119.158 -3.779 25007 1457 1 3 . 1 1 520 520 GLU HA H 520 4.243 4.243 4.171 0.072 25007 1458 1 3 . 1 1 520 520 GLU C C 520 176.447 176.447 178.080 -1.633 25007 1459 1 3 . 1 1 520 520 GLU CA C 520 58.255 58.255 58.905 -0.650 25007 1460 1 3 . 1 1 520 520 GLU CB C 520 28.497 28.497 29.306 -0.809 25007 1461 1 3 . 1 1 520 520 GLU H H 520 9.071 9.071 8.758 0.313 25007 1462 1 3 . 1 1 521 521 ASP N N 521 117.057 117.057 117.737 -0.680 25007 1463 1 3 . 1 1 521 521 ASP HA H 521 4.650 4.650 4.608 0.042 25007 1464 1 3 . 1 1 521 521 ASP C C 521 176.747 176.747 176.672 0.075 25007 1465 1 3 . 1 1 521 521 ASP CA C 521 55.790 55.790 55.873 -0.083 25007 1466 1 3 . 1 1 521 521 ASP CB C 521 40.882 40.882 40.108 0.774 25007 1467 1 3 . 1 1 521 521 ASP H H 521 8.089 8.089 8.603 -0.514 25007 1468 1 3 . 1 1 522 522 ALA N N 522 123.576 123.576 120.415 3.161 25007 1469 1 3 . 1 1 522 522 ALA HA H 522 4.138 4.138 4.440 -0.302 25007 1470 1 3 . 1 1 522 522 ALA C C 522 176.493 176.493 178.325 -1.832 25007 1471 1 3 . 1 1 522 522 ALA CA C 522 53.668 53.668 53.525 0.143 25007 1472 1 3 . 1 1 522 522 ALA CB C 522 19.822 19.822 19.245 0.577 25007 1473 1 3 . 1 1 522 522 ALA H H 522 7.560 7.560 7.328 0.232 25007 1474 1 3 . 1 1 523 523 GLY N N 523 107.939 107.939 106.420 1.519 25007 1475 1 3 . 1 1 523 523 GLY C C 523 171.581 171.581 173.581 -2.000 25007 1476 1 3 . 1 1 523 523 GLY CA C 523 44.966 44.966 45.284 -0.318 25007 1477 1 3 . 1 1 523 523 GLY H H 523 8.486 8.486 7.620 0.866 25007 1478 1 3 . 1 1 524 524 HIS N N 524 119.624 119.624 120.199 -0.575 25007 1479 1 3 . 1 1 524 524 HIS HA H 524 5.284 5.284 5.074 0.210 25007 1480 1 3 . 1 1 524 524 HIS C C 524 174.529 174.529 174.733 -0.204 25007 1481 1 3 . 1 1 524 524 HIS CA C 524 55.966 55.966 54.977 0.989 25007 1482 1 3 . 1 1 524 524 HIS CB C 524 29.911 29.911 30.256 -0.345 25007 1483 1 3 . 1 1 524 524 HIS H H 524 9.138 9.138 8.601 0.537 25007 1484 1 3 . 1 1 525 525 TYR N N 525 127.402 127.402 126.168 1.234 25007 1485 1 3 . 1 1 525 525 TYR HA H 525 5.188 5.188 5.222 -0.034 25007 1486 1 3 . 1 1 525 525 TYR C C 525 173.765 173.765 174.365 -0.600 25007 1487 1 3 . 1 1 525 525 TYR CA C 525 57.235 57.235 57.882 -0.647 25007 1488 1 3 . 1 1 525 525 TYR CB C 525 40.847 40.847 39.604 1.243 25007 1489 1 3 . 1 1 525 525 TYR H H 525 9.571 9.571 8.494 1.077 25007 1490 1 3 . 1 1 526 526 ALA N N 526 121.895 121.895 126.102 -4.207 25007 1491 1 3 . 1 1 526 526 ALA HA H 526 5.595 5.595 5.014 0.581 25007 1492 1 3 . 1 1 526 526 ALA C C 526 175.256 175.256 174.805 0.451 25007 1493 1 3 . 1 1 526 526 ALA CA C 526 49.674 49.674 50.327 -0.653 25007 1494 1 3 . 1 1 526 526 ALA CB C 526 24.106 24.106 22.537 1.569 25007 1495 1 3 . 1 1 526 526 ALA H H 526 9.096 9.096 9.283 -0.187 25007 1496 1 3 . 1 1 527 527 LEU N N 527 121.830 121.830 124.905 -3.075 25007 1497 1 3 . 1 1 527 527 LEU HA H 527 4.566 4.566 4.825 -0.259 25007 1498 1 3 . 1 1 527 527 LEU C C 527 175.945 175.945 174.928 1.017 25007 1499 1 3 . 1 1 527 527 LEU CA C 527 52.867 52.867 53.261 -0.394 25007 1500 1 3 . 1 1 527 527 LEU CB C 527 42.946 42.946 43.866 -0.920 25007 1501 1 3 . 1 1 527 527 LEU H H 527 8.164 8.164 8.048 0.116 25007 1502 1 3 . 1 1 528 528 CYS N N 528 122.905 122.905 126.596 -3.691 25007 1503 1 3 . 1 1 528 528 CYS HA H 528 4.983 4.983 4.864 0.119 25007 1504 1 3 . 1 1 528 528 CYS C C 528 174.337 174.337 174.778 -0.441 25007 1505 1 3 . 1 1 528 528 CYS CA C 528 57.228 57.228 57.022 0.206 25007 1506 1 3 . 1 1 528 528 CYS CB C 528 29.887 29.887 27.877 2.010 25007 1507 1 3 . 1 1 528 528 CYS H H 528 8.974 8.974 8.875 0.099 25007 1508 1 3 . 1 1 529 529 THR N N 529 116.293 116.293 115.970 0.323 25007 1509 1 3 . 1 1 529 529 THR HA H 529 4.693 4.693 4.859 -0.166 25007 1510 1 3 . 1 1 529 529 THR C C 529 175.292 175.292 175.586 -0.294 25007 1511 1 3 . 1 1 529 529 THR CA C 529 59.531 59.531 59.685 -0.154 25007 1512 1 3 . 1 1 529 529 THR CB C 529 71.282 71.282 70.953 0.329 25007 1513 1 3 . 1 1 529 529 THR H H 529 8.660 8.660 7.974 0.686 25007 1514 1 3 . 1 1 530 530 SER N N 530 115.090 115.090 114.738 0.352 25007 1515 1 3 . 1 1 530 530 SER HA H 530 4.255 4.255 4.199 0.056 25007 1516 1 3 . 1 1 530 530 SER C C 530 175.719 175.719 175.175 0.544 25007 1517 1 3 . 1 1 530 530 SER CA C 530 59.970 59.970 60.360 -0.390 25007 1518 1 3 . 1 1 530 530 SER CB C 530 62.914 62.914 62.668 0.246 25007 1519 1 3 . 1 1 530 530 SER H H 530 9.373 9.373 8.804 0.569 25007 1520 1 3 . 1 1 531 531 GLY N N 531 108.629 108.629 106.288 2.341 25007 1521 1 3 . 1 1 531 531 GLY C C 531 173.708 173.708 173.872 -0.164 25007 1522 1 3 . 1 1 531 531 GLY CA C 531 45.032 45.032 44.741 0.291 25007 1523 1 3 . 1 1 531 531 GLY H H 531 8.145 8.145 7.255 0.890 25007 1524 1 3 . 1 1 532 532 GLY N N 532 109.085 109.085 107.242 1.843 25007 1525 1 3 . 1 1 532 532 GLY C C 532 170.571 170.571 171.864 -1.293 25007 1526 1 3 . 1 1 532 532 GLY CA C 532 45.443 45.443 44.123 1.319 25007 1527 1 3 . 1 1 532 532 GLY H H 532 7.518 7.518 8.242 -0.724 25007 1528 1 3 . 1 1 533 533 GLN N N 533 116.769 116.769 121.802 -5.033 25007 1529 1 3 . 1 1 533 533 GLN HA H 533 5.329 5.329 4.937 0.392 25007 1530 1 3 . 1 1 533 533 GLN C C 533 174.087 174.087 174.667 -0.580 25007 1531 1 3 . 1 1 533 533 GLN CA C 533 54.453 54.453 54.353 0.100 25007 1532 1 3 . 1 1 533 533 GLN CB C 533 32.474 32.474 31.381 1.093 25007 1533 1 3 . 1 1 533 533 GLN H H 533 8.302 8.302 8.248 0.054 25007 1534 1 3 . 1 1 534 534 ALA N N 534 126.978 126.978 129.405 -2.427 25007 1535 1 3 . 1 1 534 534 ALA HA H 534 4.845 4.845 4.630 0.215 25007 1536 1 3 . 1 1 534 534 ALA C C 534 174.509 174.509 174.654 -0.145 25007 1537 1 3 . 1 1 534 534 ALA CA C 534 50.792 50.792 51.282 -0.490 25007 1538 1 3 . 1 1 534 534 ALA CB C 534 22.023 22.023 21.968 0.055 25007 1539 1 3 . 1 1 534 534 ALA H H 534 8.863 8.863 8.346 0.517 25007 1540 1 3 . 1 1 535 535 LEU N N 535 122.725 122.725 122.861 -0.136 25007 1541 1 3 . 1 1 535 535 LEU HA H 535 5.386 5.386 5.135 0.251 25007 1542 1 3 . 1 1 535 535 LEU C C 535 176.477 176.477 175.700 0.777 25007 1543 1 3 . 1 1 535 535 LEU CA C 535 54.253 54.253 53.974 0.279 25007 1544 1 3 . 1 1 535 535 LEU CB C 535 46.315 46.315 45.856 0.459 25007 1545 1 3 . 1 1 535 535 LEU H H 535 8.438 8.438 8.287 0.151 25007 1546 1 3 . 1 1 536 536 ALA N N 536 125.405 125.405 128.366 -2.961 25007 1547 1 3 . 1 1 536 536 ALA HA H 536 4.740 4.740 4.873 -0.133 25007 1548 1 3 . 1 1 536 536 ALA C C 536 174.310 174.310 175.509 -1.199 25007 1549 1 3 . 1 1 536 536 ALA CA C 536 51.928 51.928 50.695 1.233 25007 1550 1 3 . 1 1 536 536 ALA CB C 536 24.477 24.477 22.265 2.212 25007 1551 1 3 . 1 1 536 536 ALA H H 536 9.336 9.336 9.149 0.187 25007 1552 1 3 . 1 1 537 537 GLU N N 537 121.895 121.895 123.072 -1.177 25007 1553 1 3 . 1 1 537 537 GLU HA H 537 4.919 4.919 4.645 0.274 25007 1554 1 3 . 1 1 537 537 GLU C C 537 174.790 174.790 175.056 -0.266 25007 1555 1 3 . 1 1 537 537 GLU CA C 537 54.758 54.758 55.501 -0.743 25007 1556 1 3 . 1 1 537 537 GLU CB C 537 32.505 32.505 31.659 0.846 25007 1557 1 3 . 1 1 537 537 GLU H H 537 9.296 9.296 8.663 0.633 25007 1558 1 3 . 1 1 538 538 LEU N N 538 125.064 125.064 128.194 -3.130 25007 1559 1 3 . 1 1 538 538 LEU HA H 538 5.365 5.365 4.782 0.583 25007 1560 1 3 . 1 1 538 538 LEU C C 538 175.931 175.931 175.438 0.493 25007 1561 1 3 . 1 1 538 538 LEU CA C 538 53.389 53.389 53.993 -0.604 25007 1562 1 3 . 1 1 538 538 LEU CB C 538 45.315 45.315 44.230 1.085 25007 1563 1 3 . 1 1 538 538 LEU H H 538 9.274 9.274 7.959 1.315 25007 1564 1 3 . 1 1 539 539 ILE N N 539 130.885 130.885 128.211 2.674 25007 1565 1 3 . 1 1 539 539 ILE HA H 539 4.282 4.282 4.268 0.014 25007 1566 1 3 . 1 1 539 539 ILE C C 539 173.958 173.958 174.359 -0.401 25007 1567 1 3 . 1 1 539 539 ILE CA C 539 61.171 61.171 60.202 0.969 25007 1568 1 3 . 1 1 539 539 ILE CB C 539 39.901 39.901 39.325 0.577 25007 1569 1 3 . 1 1 539 539 ILE H H 539 8.867 8.867 8.665 0.202 25007 1570 1 3 . 1 1 540 540 VAL N N 540 125.478 125.478 128.122 -2.644 25007 1571 1 3 . 1 1 540 540 VAL HA H 540 4.770 4.770 5.188 -0.418 25007 1572 1 3 . 1 1 540 540 VAL C C 540 174.948 174.948 175.904 -0.956 25007 1573 1 3 . 1 1 540 540 VAL CA C 540 60.316 60.316 60.894 -0.578 25007 1574 1 3 . 1 1 540 540 VAL CB C 540 33.691 33.691 33.754 -0.062 25007 1575 1 3 . 1 1 540 540 VAL H H 540 7.880 7.880 8.621 -0.741 25007 1576 1 3 . 1 1 541 541 GLN N N 541 126.082 126.082 125.956 0.126 25007 1577 1 3 . 1 1 541 541 GLN HA H 541 4.618 4.618 4.747 -0.129 25007 1578 1 3 . 1 1 541 541 GLN C C 541 174.952 174.952 174.509 0.443 25007 1579 1 3 . 1 1 541 541 GLN CA C 541 54.372 54.372 53.566 0.807 25007 1580 1 3 . 1 1 541 541 GLN CB C 541 31.571 31.571 32.194 -0.623 25007 1581 1 3 . 1 1 541 541 GLN H H 541 9.066 9.066 8.279 0.787 25007 1582 1 3 . 1 1 542 542 GLU N N 542 122.178 122.178 121.190 0.988 25007 1583 1 3 . 1 1 542 542 GLU HA H 542 4.312 4.312 4.282 0.030 25007 1584 1 3 . 1 1 542 542 GLU C C 542 175.419 175.419 176.392 -0.973 25007 1585 1 3 . 1 1 542 542 GLU CA C 542 57.108 57.108 56.297 0.811 25007 1586 1 3 . 1 1 542 542 GLU CB C 542 31.266 31.266 30.222 1.044 25007 1587 1 3 . 1 1 542 542 GLU H H 542 8.742 8.742 8.642 0.100 25007 1588 1 4 . 1 1 451 451 HIS HA H 451 4.656 4.656 4.613 0.043 25007 1589 1 4 . 1 1 451 451 HIS C C 451 174.793 174.793 175.273 -0.480 25007 1590 1 4 . 1 1 451 451 HIS CA C 451 55.947 55.947 55.799 0.148 25007 1591 1 4 . 1 1 451 451 HIS CB C 451 29.903 29.903 29.994 -0.091 25007 1592 1 4 . 1 1 452 452 MET N N 452 123.193 123.193 125.427 -2.234 25007 1593 1 4 . 1 1 452 452 MET C C 452 173.991 173.991 174.054 -0.063 25007 1594 1 4 . 1 1 452 452 MET CA C 452 53.192 53.192 53.957 -0.765 25007 1595 1 4 . 1 1 452 452 MET CB C 452 31.977 31.977 32.232 -0.255 25007 1596 1 4 . 1 1 452 452 MET H H 452 8.342 8.342 8.308 0.034 25007 1597 1 4 . 1 1 453 453 PRO HA H 453 4.293 4.293 4.530 -0.237 25007 1598 1 4 . 1 1 453 453 PRO C C 453 175.733 175.733 176.092 -0.359 25007 1599 1 4 . 1 1 453 453 PRO CA C 453 62.734 62.734 61.446 1.288 25007 1600 1 4 . 1 1 453 453 PRO CB C 453 32.139 32.139 32.616 -0.477 25007 1601 1 4 . 1 1 454 454 VAL N N 454 122.227 122.227 120.294 1.933 25007 1602 1 4 . 1 1 454 454 VAL HA H 454 3.732 3.732 3.961 -0.229 25007 1603 1 4 . 1 1 454 454 VAL C C 454 175.296 175.296 175.870 -0.574 25007 1604 1 4 . 1 1 454 454 VAL CA C 454 63.126 63.126 62.047 1.079 25007 1605 1 4 . 1 1 454 454 VAL CB C 454 32.085 32.085 31.021 1.064 25007 1606 1 4 . 1 1 454 454 VAL H H 454 7.799 7.799 8.373 -0.574 25007 1607 1 4 . 1 1 455 455 LEU N N 455 129.419 129.419 130.575 -1.156 25007 1608 1 4 . 1 1 455 455 LEU HA H 455 4.435 4.435 4.608 -0.173 25007 1609 1 4 . 1 1 455 455 LEU C C 455 176.294 176.294 175.093 1.201 25007 1610 1 4 . 1 1 455 455 LEU CA C 455 52.797 52.797 54.097 -1.300 25007 1611 1 4 . 1 1 455 455 LEU CB C 455 43.631 43.631 43.596 0.035 25007 1612 1 4 . 1 1 455 455 LEU H H 455 8.571 8.571 8.063 0.508 25007 1613 1 4 . 1 1 456 456 ILE N N 456 120.867 120.867 126.844 -5.977 25007 1614 1 4 . 1 1 456 456 ILE HA H 456 4.229 4.229 4.461 -0.232 25007 1615 1 4 . 1 1 456 456 ILE C C 456 176.619 176.619 176.701 -0.082 25007 1616 1 4 . 1 1 456 456 ILE CA C 456 60.780 60.780 61.428 -0.648 25007 1617 1 4 . 1 1 456 456 ILE CB C 456 36.796 36.796 37.047 -0.251 25007 1618 1 4 . 1 1 456 456 ILE H H 456 8.507 8.507 8.613 -0.106 25007 1619 1 4 . 1 1 457 457 THR N N 457 120.915 120.915 120.928 -0.013 25007 1620 1 4 . 1 1 457 457 THR HA H 457 4.285 4.285 4.206 0.079 25007 1621 1 4 . 1 1 457 457 THR C C 457 175.963 175.963 175.206 0.757 25007 1622 1 4 . 1 1 457 457 THR CA C 457 62.753 62.753 62.768 -0.015 25007 1623 1 4 . 1 1 457 457 THR CB C 457 67.879 67.879 69.482 -1.603 25007 1624 1 4 . 1 1 457 457 THR H H 457 8.657 8.657 8.553 0.104 25007 1625 1 4 . 1 1 458 458 ARG N N 458 122.699 122.699 123.271 -0.572 25007 1626 1 4 . 1 1 458 458 ARG HA H 458 4.923 4.923 4.889 0.034 25007 1627 1 4 . 1 1 458 458 ARG C C 458 173.213 173.213 173.804 -0.591 25007 1628 1 4 . 1 1 458 458 ARG CA C 458 53.918 53.918 52.197 1.721 25007 1629 1 4 . 1 1 458 458 ARG CB C 458 32.559 32.559 31.228 1.331 25007 1630 1 4 . 1 1 458 458 ARG H H 458 7.552 7.552 7.689 -0.137 25007 1631 1 4 . 1 1 459 459 PRO HA H 459 4.298 4.298 4.456 -0.158 25007 1632 1 4 . 1 1 459 459 PRO C C 459 175.741 175.741 176.622 -0.881 25007 1633 1 4 . 1 1 459 459 PRO CA C 459 62.575 62.575 62.518 0.057 25007 1634 1 4 . 1 1 459 459 PRO CB C 459 32.551 32.551 32.373 0.178 25007 1635 1 4 . 1 1 460 460 LEU N N 460 115.474 115.474 119.936 -4.462 25007 1636 1 4 . 1 1 460 460 LEU HA H 460 4.563 4.563 4.600 -0.037 25007 1637 1 4 . 1 1 460 460 LEU C C 460 176.142 176.142 178.069 -1.927 25007 1638 1 4 . 1 1 460 460 LEU CA C 460 55.013 55.013 54.285 0.728 25007 1639 1 4 . 1 1 460 460 LEU CB C 460 45.292 45.292 42.087 3.205 25007 1640 1 4 . 1 1 460 460 LEU H H 460 6.157 6.157 8.285 -2.128 25007 1641 1 4 . 1 1 461 461 GLU N N 461 120.613 120.613 119.882 0.731 25007 1642 1 4 . 1 1 461 461 GLU HA H 461 4.795 4.795 4.327 0.468 25007 1643 1 4 . 1 1 461 461 GLU C C 461 175.540 175.540 176.802 -1.262 25007 1644 1 4 . 1 1 461 461 GLU CA C 461 54.657 54.657 56.344 -1.687 25007 1645 1 4 . 1 1 461 461 GLU CB C 461 32.600 32.600 30.241 2.360 25007 1646 1 4 . 1 1 461 461 GLU H H 461 8.387 8.387 8.802 -0.415 25007 1647 1 4 . 1 1 462 462 ASP N N 462 122.579 122.579 119.126 3.453 25007 1648 1 4 . 1 1 462 462 ASP HA H 462 5.031 5.031 4.652 0.379 25007 1649 1 4 . 1 1 462 462 ASP C C 462 176.359 176.359 175.582 0.777 25007 1650 1 4 . 1 1 462 462 ASP CA C 462 55.433 55.433 54.147 1.286 25007 1651 1 4 . 1 1 462 462 ASP CB C 462 41.069 41.069 41.282 -0.213 25007 1652 1 4 . 1 1 462 462 ASP H H 462 8.599 8.599 8.578 0.021 25007 1653 1 4 . 1 1 463 463 GLN N N 463 117.028 117.028 119.466 -2.438 25007 1654 1 4 . 1 1 463 463 GLN HA H 463 4.667 4.667 4.512 0.155 25007 1655 1 4 . 1 1 463 463 GLN C C 463 173.563 173.563 174.628 -1.065 25007 1656 1 4 . 1 1 463 463 GLN CA C 463 54.227 54.227 54.978 -0.751 25007 1657 1 4 . 1 1 463 463 GLN CB C 463 33.204 33.204 30.787 2.417 25007 1658 1 4 . 1 1 463 463 GLN H H 463 8.755 8.755 7.754 1.001 25007 1659 1 4 . 1 1 464 464 LEU N N 464 127.581 127.581 118.461 9.120 25007 1660 1 4 . 1 1 464 464 LEU HA H 464 5.307 5.307 5.153 0.154 25007 1661 1 4 . 1 1 464 464 LEU C C 464 175.838 175.838 175.759 0.079 25007 1662 1 4 . 1 1 464 464 LEU CA C 464 54.667 54.667 53.679 0.988 25007 1663 1 4 . 1 1 464 464 LEU CB C 464 44.018 44.018 43.816 0.202 25007 1664 1 4 . 1 1 464 464 LEU H H 464 8.415 8.415 8.236 0.179 25007 1665 1 4 . 1 1 465 465 VAL N N 465 119.279 119.279 117.065 2.214 25007 1666 1 4 . 1 1 465 465 VAL HA H 465 4.774 4.774 4.616 0.158 25007 1667 1 4 . 1 1 465 465 VAL C C 465 173.711 173.711 174.189 -0.478 25007 1668 1 4 . 1 1 465 465 VAL CA C 465 58.517 58.517 59.181 -0.664 25007 1669 1 4 . 1 1 465 465 VAL CB C 465 36.110 36.110 35.648 0.462 25007 1670 1 4 . 1 1 465 465 VAL H H 465 8.695 8.695 8.258 0.437 25007 1671 1 4 . 1 1 466 466 MET N N 466 119.214 119.214 117.907 1.307 25007 1672 1 4 . 1 1 466 466 MET HA H 466 5.247 5.247 4.988 0.259 25007 1673 1 4 . 1 1 466 466 MET C C 466 176.491 176.491 176.292 0.199 25007 1674 1 4 . 1 1 466 466 MET CA C 466 52.783 52.783 54.282 -1.498 25007 1675 1 4 . 1 1 466 466 MET CB C 466 33.609 33.609 35.143 -1.534 25007 1676 1 4 . 1 1 466 466 MET H H 466 8.073 8.073 8.141 -0.068 25007 1677 1 4 . 1 1 467 467 VAL N N 467 119.566 119.566 120.533 -0.967 25007 1678 1 4 . 1 1 467 467 VAL HA H 467 3.420 3.420 4.042 -0.622 25007 1679 1 4 . 1 1 467 467 VAL C C 467 176.899 176.899 177.415 -0.516 25007 1680 1 4 . 1 1 467 467 VAL CA C 467 64.475 64.475 63.896 0.579 25007 1681 1 4 . 1 1 467 467 VAL CB C 467 32.180 32.180 31.345 0.835 25007 1682 1 4 . 1 1 467 467 VAL H H 467 7.891 7.891 8.261 -0.370 25007 1683 1 4 . 1 1 468 468 GLY N N 468 115.391 115.391 115.464 -0.073 25007 1684 1 4 . 1 1 468 468 GLY C C 468 174.446 174.446 173.417 1.029 25007 1685 1 4 . 1 1 468 468 GLY CA C 468 44.690 44.690 44.959 -0.269 25007 1686 1 4 . 1 1 468 468 GLY H H 468 9.784 9.784 8.273 1.511 25007 1687 1 4 . 1 1 469 469 GLN N N 469 120.312 120.312 120.358 -0.046 25007 1688 1 4 . 1 1 469 469 GLN HA H 469 4.396 4.396 4.519 -0.123 25007 1689 1 4 . 1 1 469 469 GLN C C 469 174.534 174.534 174.837 -0.303 25007 1690 1 4 . 1 1 469 469 GLN CA C 469 55.882 55.882 54.328 1.554 25007 1691 1 4 . 1 1 469 469 GLN CB C 469 30.330 30.330 31.033 -0.703 25007 1692 1 4 . 1 1 469 469 GLN H H 469 7.948 7.948 7.569 0.379 25007 1693 1 4 . 1 1 470 470 ARG N N 470 122.876 122.876 123.915 -1.039 25007 1694 1 4 . 1 1 470 470 ARG HA H 470 4.559 4.559 4.909 -0.350 25007 1695 1 4 . 1 1 470 470 ARG C C 470 175.944 175.944 175.459 0.485 25007 1696 1 4 . 1 1 470 470 ARG CA C 470 55.425 55.425 55.602 -0.177 25007 1697 1 4 . 1 1 470 470 ARG CB C 470 31.418 31.418 30.875 0.543 25007 1698 1 4 . 1 1 470 470 ARG H H 470 8.133 8.133 8.415 -0.282 25007 1699 1 4 . 1 1 471 471 VAL N N 471 126.868 126.868 123.039 3.829 25007 1700 1 4 . 1 1 471 471 VAL HA H 471 4.125 4.125 4.245 -0.120 25007 1701 1 4 . 1 1 471 471 VAL C C 471 173.258 173.258 173.893 -0.635 25007 1702 1 4 . 1 1 471 471 VAL CA C 471 60.324 60.324 59.390 0.934 25007 1703 1 4 . 1 1 471 471 VAL CB C 471 34.719 34.719 35.345 -0.626 25007 1704 1 4 . 1 1 471 471 VAL H H 471 8.809 8.809 8.051 0.758 25007 1705 1 4 . 1 1 472 472 GLU N N 472 126.535 126.535 127.272 -0.737 25007 1706 1 4 . 1 1 472 472 GLU HA H 472 5.064 5.064 5.014 0.050 25007 1707 1 4 . 1 1 472 472 GLU C C 472 175.149 175.149 174.979 0.170 25007 1708 1 4 . 1 1 472 472 GLU CA C 472 54.581 54.581 53.993 0.588 25007 1709 1 4 . 1 1 472 472 GLU CB C 472 32.264 32.264 32.398 -0.133 25007 1710 1 4 . 1 1 472 472 GLU H H 472 8.650 8.650 8.294 0.356 25007 1711 1 4 . 1 1 473 473 PHE N N 473 125.481 125.481 125.459 0.022 25007 1712 1 4 . 1 1 473 473 PHE HA H 473 4.731 4.731 4.748 -0.017 25007 1713 1 4 . 1 1 473 473 PHE C C 473 175.039 175.039 174.741 0.298 25007 1714 1 4 . 1 1 473 473 PHE CA C 473 57.568 57.568 56.963 0.605 25007 1715 1 4 . 1 1 473 473 PHE CB C 473 41.957 41.957 40.967 0.990 25007 1716 1 4 . 1 1 473 473 PHE H H 473 9.269 9.269 9.086 0.183 25007 1717 1 4 . 1 1 474 474 GLU N N 474 120.740 120.740 125.267 -4.527 25007 1718 1 4 . 1 1 474 474 GLU HA H 474 5.345 5.345 4.733 0.612 25007 1719 1 4 . 1 1 474 474 GLU C C 474 174.352 174.352 175.643 -1.291 25007 1720 1 4 . 1 1 474 474 GLU CA C 474 54.701 54.701 54.852 -0.151 25007 1721 1 4 . 1 1 474 474 GLU CB C 474 33.357 33.357 32.361 0.996 25007 1722 1 4 . 1 1 474 474 GLU H H 474 8.464 8.464 9.048 -0.584 25007 1723 1 4 . 1 1 475 475 CYS N N 475 121.489 121.489 124.461 -2.972 25007 1724 1 4 . 1 1 475 475 CYS HA H 475 4.808 4.808 5.654 -0.846 25007 1725 1 4 . 1 1 475 475 CYS C C 475 172.098 172.098 173.628 -1.530 25007 1726 1 4 . 1 1 475 475 CYS CA C 475 56.609 56.609 55.690 0.919 25007 1727 1 4 . 1 1 475 475 CYS CB C 475 30.959 30.959 30.046 0.913 25007 1728 1 4 . 1 1 475 475 CYS H H 475 8.975 8.975 8.448 0.527 25007 1729 1 4 . 1 1 476 476 GLU N N 476 123.429 123.429 125.177 -1.748 25007 1730 1 4 . 1 1 476 476 GLU HA H 476 5.508 5.508 4.672 0.836 25007 1731 1 4 . 1 1 476 476 GLU C C 476 175.188 175.188 175.058 0.130 25007 1732 1 4 . 1 1 476 476 GLU CA C 476 55.034 55.034 55.517 -0.483 25007 1733 1 4 . 1 1 476 476 GLU CB C 476 34.226 34.226 31.858 2.368 25007 1734 1 4 . 1 1 476 476 GLU H H 476 8.550 8.550 8.232 0.318 25007 1735 1 4 . 1 1 477 477 VAL N N 477 116.564 116.564 116.880 -0.316 25007 1736 1 4 . 1 1 477 477 VAL HA H 477 5.411 5.411 5.257 0.154 25007 1737 1 4 . 1 1 477 477 VAL C C 477 177.337 177.337 175.301 2.036 25007 1738 1 4 . 1 1 477 477 VAL CA C 477 58.807 58.807 58.805 0.002 25007 1739 1 4 . 1 1 477 477 VAL CB C 477 33.847 33.847 35.322 -1.475 25007 1740 1 4 . 1 1 477 477 VAL H H 477 8.713 8.713 7.716 0.997 25007 1741 1 4 . 1 1 478 478 SER N N 478 111.232 111.232 114.175 -2.943 25007 1742 1 4 . 1 1 478 478 SER HA H 478 4.040 4.040 4.449 -0.409 25007 1743 1 4 . 1 1 478 478 SER C C 478 173.819 173.819 174.614 -0.795 25007 1744 1 4 . 1 1 478 478 SER CA C 478 61.120 61.120 59.156 1.964 25007 1745 1 4 . 1 1 478 478 SER CB C 478 63.537 63.537 63.671 -0.134 25007 1746 1 4 . 1 1 478 478 SER H H 478 8.756 8.756 8.157 0.599 25007 1747 1 4 . 1 1 479 479 GLU N N 479 116.963 116.963 120.590 -3.627 25007 1748 1 4 . 1 1 479 479 GLU HA H 479 4.846 4.846 4.482 0.364 25007 1749 1 4 . 1 1 479 479 GLU C C 479 175.936 175.936 175.181 0.755 25007 1750 1 4 . 1 1 479 479 GLU CA C 479 54.505 54.505 54.586 -0.081 25007 1751 1 4 . 1 1 479 479 GLU CB C 479 33.938 33.938 32.021 1.917 25007 1752 1 4 . 1 1 479 479 GLU H H 479 6.771 6.771 7.898 -1.127 25007 1753 1 4 . 1 1 480 480 GLU N N 480 124.445 124.445 125.664 -1.219 25007 1754 1 4 . 1 1 480 480 GLU HA H 480 4.402 4.402 4.349 0.053 25007 1755 1 4 . 1 1 480 480 GLU C C 480 176.539 176.539 177.285 -0.746 25007 1756 1 4 . 1 1 480 480 GLU CA C 480 57.860 57.860 56.130 1.730 25007 1757 1 4 . 1 1 480 480 GLU CB C 480 30.072 30.072 29.056 1.016 25007 1758 1 4 . 1 1 480 480 GLU H H 480 9.224 9.224 8.779 0.445 25007 1759 1 4 . 1 1 481 481 GLY C C 481 174.358 174.358 174.346 0.012 25007 1760 1 4 . 1 1 481 481 GLY CA C 481 45.799 45.799 45.656 0.143 25007 1761 1 4 . 1 1 482 482 ALA N N 482 121.272 121.272 121.987 -0.715 25007 1762 1 4 . 1 1 482 482 ALA HA H 482 4.369 4.369 4.390 -0.021 25007 1763 1 4 . 1 1 482 482 ALA C C 482 177.182 177.182 178.148 -0.966 25007 1764 1 4 . 1 1 482 482 ALA CA C 482 52.389 52.389 52.739 -0.350 25007 1765 1 4 . 1 1 482 482 ALA CB C 482 20.558 20.558 19.623 0.935 25007 1766 1 4 . 1 1 482 482 ALA H H 482 7.407 7.407 7.606 -0.199 25007 1767 1 4 . 1 1 483 483 GLN N N 483 121.348 121.348 122.960 -1.612 25007 1768 1 4 . 1 1 483 483 GLN HA H 483 4.434 4.434 4.304 0.130 25007 1769 1 4 . 1 1 483 483 GLN C C 483 175.702 175.702 174.901 0.801 25007 1770 1 4 . 1 1 483 483 GLN CA C 483 55.355 55.355 56.048 -0.693 25007 1771 1 4 . 1 1 483 483 GLN CB C 483 28.785 28.785 28.018 0.767 25007 1772 1 4 . 1 1 483 483 GLN H H 483 8.508 8.508 8.468 0.040 25007 1773 1 4 . 1 1 484 484 VAL N N 484 118.367 118.367 118.044 0.323 25007 1774 1 4 . 1 1 484 484 VAL HA H 484 4.907 4.907 4.283 0.624 25007 1775 1 4 . 1 1 484 484 VAL C C 484 174.865 174.865 174.679 0.186 25007 1776 1 4 . 1 1 484 484 VAL CA C 484 58.403 58.403 59.429 -1.026 25007 1777 1 4 . 1 1 484 484 VAL CB C 484 34.477 34.477 34.320 0.157 25007 1778 1 4 . 1 1 484 484 VAL H H 484 8.269 8.269 7.654 0.615 25007 1779 1 4 . 1 1 485 485 LYS N N 485 119.929 119.929 123.753 -3.824 25007 1780 1 4 . 1 1 485 485 LYS HA H 485 4.586 4.586 4.610 -0.024 25007 1781 1 4 . 1 1 485 485 LYS C C 485 173.947 173.947 174.865 -0.918 25007 1782 1 4 . 1 1 485 485 LYS CA C 485 54.986 54.986 54.927 0.059 25007 1783 1 4 . 1 1 485 485 LYS CB C 485 36.634 36.634 35.719 0.914 25007 1784 1 4 . 1 1 485 485 LYS H H 485 8.013 8.013 8.263 -0.250 25007 1785 1 4 . 1 1 486 486 TRP N N 486 123.614 123.614 125.340 -1.726 25007 1786 1 4 . 1 1 486 486 TRP HA H 486 5.602 5.602 4.760 0.842 25007 1787 1 4 . 1 1 486 486 TRP C C 486 175.998 175.998 175.528 0.470 25007 1788 1 4 . 1 1 486 486 TRP CA C 486 55.808 55.808 56.541 -0.733 25007 1789 1 4 . 1 1 486 486 TRP CB C 486 32.003 32.003 30.805 1.198 25007 1790 1 4 . 1 1 486 486 TRP H H 486 8.776 8.776 8.784 -0.008 25007 1791 1 4 . 1 1 487 487 LEU N N 487 121.275 121.275 124.365 -3.090 25007 1792 1 4 . 1 1 487 487 LEU HA H 487 5.181 5.181 5.323 -0.142 25007 1793 1 4 . 1 1 487 487 LEU C C 487 175.805 175.805 175.264 0.541 25007 1794 1 4 . 1 1 487 487 LEU CA C 487 53.541 53.541 54.158 -0.617 25007 1795 1 4 . 1 1 487 487 LEU CB C 487 46.105 46.105 46.490 -0.385 25007 1796 1 4 . 1 1 487 487 LEU H H 487 9.581 9.581 8.949 0.632 25007 1797 1 4 . 1 1 488 488 LYS N N 488 119.146 119.146 122.454 -3.308 25007 1798 1 4 . 1 1 488 488 LYS HA H 488 4.439 4.439 5.083 -0.644 25007 1799 1 4 . 1 1 488 488 LYS C C 488 176.682 176.682 176.196 0.486 25007 1800 1 4 . 1 1 488 488 LYS CA C 488 55.102 55.102 54.982 0.120 25007 1801 1 4 . 1 1 488 488 LYS CB C 488 35.535 35.535 34.254 1.281 25007 1802 1 4 . 1 1 488 488 LYS H H 488 8.681 8.681 9.205 -0.524 25007 1803 1 4 . 1 1 489 489 ASP N N 489 130.284 130.284 128.502 1.782 25007 1804 1 4 . 1 1 489 489 ASP HA H 489 4.361 4.361 4.366 -0.005 25007 1805 1 4 . 1 1 489 489 ASP C C 489 176.145 176.145 176.271 -0.126 25007 1806 1 4 . 1 1 489 489 ASP CA C 489 55.968 55.968 55.906 0.062 25007 1807 1 4 . 1 1 489 489 ASP CB C 489 40.051 40.051 39.782 0.269 25007 1808 1 4 . 1 1 489 489 ASP H H 489 9.860 9.860 9.427 0.433 25007 1809 1 4 . 1 1 490 490 GLY N N 490 101.712 101.712 103.275 -1.563 25007 1810 1 4 . 1 1 490 490 GLY C C 490 173.542 173.542 174.217 -0.675 25007 1811 1 4 . 1 1 490 490 GLY CA C 490 45.240 45.240 45.012 0.228 25007 1812 1 4 . 1 1 490 490 GLY H H 490 8.668 8.668 8.640 0.028 25007 1813 1 4 . 1 1 491 491 VAL N N 491 123.365 123.365 123.868 -0.503 25007 1814 1 4 . 1 1 491 491 VAL HA H 491 4.168 4.168 4.059 0.109 25007 1815 1 4 . 1 1 491 491 VAL C C 491 175.179 175.179 175.082 0.097 25007 1816 1 4 . 1 1 491 491 VAL CA C 491 61.629 61.629 62.192 -0.563 25007 1817 1 4 . 1 1 491 491 VAL CB C 491 33.515 33.515 32.379 1.137 25007 1818 1 4 . 1 1 491 491 VAL H H 491 7.917 7.917 7.781 0.136 25007 1819 1 4 . 1 1 492 492 GLU N N 492 127.979 127.979 128.593 -0.614 25007 1820 1 4 . 1 1 492 492 GLU HA H 492 4.395 4.395 4.636 -0.241 25007 1821 1 4 . 1 1 492 492 GLU C C 492 176.695 176.695 176.371 0.324 25007 1822 1 4 . 1 1 492 492 GLU CA C 492 57.585 57.585 55.922 1.663 25007 1823 1 4 . 1 1 492 492 GLU CB C 492 29.870 29.870 30.636 -0.766 25007 1824 1 4 . 1 1 492 492 GLU H H 492 8.759 8.759 8.786 -0.027 25007 1825 1 4 . 1 1 493 493 LEU N N 493 127.568 127.568 129.220 -1.652 25007 1826 1 4 . 1 1 493 493 LEU HA H 493 4.539 4.539 4.489 0.050 25007 1827 1 4 . 1 1 493 493 LEU C C 493 176.807 176.807 176.483 0.324 25007 1828 1 4 . 1 1 493 493 LEU CA C 493 54.305 54.305 53.813 0.492 25007 1829 1 4 . 1 1 493 493 LEU CB C 493 41.768 41.768 41.123 0.645 25007 1830 1 4 . 1 1 493 493 LEU H H 493 8.884 8.884 8.959 -0.075 25007 1831 1 4 . 1 1 494 494 THR N N 494 115.006 115.006 118.068 -3.062 25007 1832 1 4 . 1 1 494 494 THR HA H 494 4.462 4.462 4.266 0.196 25007 1833 1 4 . 1 1 494 494 THR C C 494 174.638 174.638 175.356 -0.718 25007 1834 1 4 . 1 1 494 494 THR CA C 494 61.263 61.263 62.196 -0.933 25007 1835 1 4 . 1 1 494 494 THR CB C 494 70.112 70.112 69.721 0.391 25007 1836 1 4 . 1 1 494 494 THR H H 494 8.315 8.315 8.488 -0.173 25007 1837 1 4 . 1 1 495 495 ARG N N 495 121.376 121.376 125.752 -4.376 25007 1838 1 4 . 1 1 495 495 ARG HA H 495 4.236 4.236 4.974 -0.738 25007 1839 1 4 . 1 1 495 495 ARG C C 495 176.661 176.661 176.584 0.077 25007 1840 1 4 . 1 1 495 495 ARG CA C 495 56.528 56.528 55.927 0.601 25007 1841 1 4 . 1 1 495 495 ARG CB C 495 29.747 29.747 29.967 -0.220 25007 1842 1 4 . 1 1 495 495 ARG H H 495 8.442 8.442 8.755 -0.313 25007 1843 1 4 . 1 1 496 496 GLU N N 496 120.213 120.213 120.668 -0.455 25007 1844 1 4 . 1 1 496 496 GLU HA H 496 4.300 4.300 4.283 0.017 25007 1845 1 4 . 1 1 496 496 GLU C C 496 176.615 176.615 176.535 0.080 25007 1846 1 4 . 1 1 496 496 GLU CA C 496 57.036 57.036 58.084 -1.048 25007 1847 1 4 . 1 1 496 496 GLU CB C 496 30.369 30.369 30.718 -0.349 25007 1848 1 4 . 1 1 496 496 GLU H H 496 8.230 8.230 8.203 0.027 25007 1849 1 4 . 1 1 497 497 GLU N N 497 120.969 120.969 119.659 1.310 25007 1850 1 4 . 1 1 497 497 GLU HA H 497 4.432 4.432 4.523 -0.091 25007 1851 1 4 . 1 1 497 497 GLU C C 497 176.587 176.587 175.003 1.584 25007 1852 1 4 . 1 1 497 497 GLU CA C 497 56.731 56.731 55.979 0.752 25007 1853 1 4 . 1 1 497 497 GLU CB C 497 29.467 29.467 30.646 -1.179 25007 1854 1 4 . 1 1 497 497 GLU H H 497 8.286 8.286 7.831 0.455 25007 1855 1 4 . 1 1 498 498 THR N N 498 114.281 114.281 115.961 -1.680 25007 1856 1 4 . 1 1 498 498 THR HA H 498 4.540 4.540 4.687 -0.147 25007 1857 1 4 . 1 1 498 498 THR C C 498 174.512 174.512 174.372 0.140 25007 1858 1 4 . 1 1 498 498 THR CA C 498 61.494 61.494 61.998 -0.504 25007 1859 1 4 . 1 1 498 498 THR CB C 498 70.298 70.298 70.468 -0.170 25007 1860 1 4 . 1 1 498 498 THR H H 498 8.192 8.192 8.270 -0.078 25007 1861 1 4 . 1 1 499 499 PHE N N 499 119.424 119.424 123.501 -4.077 25007 1862 1 4 . 1 1 499 499 PHE HA H 499 4.557 4.557 4.487 0.070 25007 1863 1 4 . 1 1 499 499 PHE C C 499 176.196 176.196 176.357 -0.161 25007 1864 1 4 . 1 1 499 499 PHE CA C 499 58.536 58.536 59.438 -0.902 25007 1865 1 4 . 1 1 499 499 PHE CB C 499 38.497 38.497 39.524 -1.027 25007 1866 1 4 . 1 1 499 499 PHE H H 499 8.191 8.191 8.808 -0.617 25007 1867 1 4 . 1 1 500 500 LYS N N 500 120.866 120.866 118.693 2.173 25007 1868 1 4 . 1 1 500 500 LYS HA H 500 4.011 4.011 4.253 -0.242 25007 1869 1 4 . 1 1 500 500 LYS C C 500 175.712 175.712 175.208 0.504 25007 1870 1 4 . 1 1 500 500 LYS CA C 500 57.773 57.773 57.417 0.356 25007 1871 1 4 . 1 1 500 500 LYS CB C 500 33.363 33.363 33.937 -0.574 25007 1872 1 4 . 1 1 500 500 LYS H H 500 7.848 7.848 7.734 0.114 25007 1873 1 4 . 1 1 501 501 TYR N N 501 114.937 114.937 116.643 -1.706 25007 1874 1 4 . 1 1 501 501 TYR HA H 501 5.313 5.313 5.118 0.195 25007 1875 1 4 . 1 1 501 501 TYR C C 501 175.113 175.113 175.580 -0.467 25007 1876 1 4 . 1 1 501 501 TYR CA C 501 55.044 55.044 57.696 -2.652 25007 1877 1 4 . 1 1 501 501 TYR CB C 501 41.727 41.727 38.626 3.101 25007 1878 1 4 . 1 1 501 501 TYR H H 501 7.214 7.214 7.580 -0.366 25007 1879 1 4 . 1 1 502 502 ARG N N 502 119.116 119.116 123.331 -4.215 25007 1880 1 4 . 1 1 502 502 ARG HA H 502 4.543 4.543 4.604 -0.061 25007 1881 1 4 . 1 1 502 502 ARG C C 502 173.549 173.549 174.132 -0.583 25007 1882 1 4 . 1 1 502 502 ARG CA C 502 54.462 54.462 54.090 0.372 25007 1883 1 4 . 1 1 502 502 ARG CB C 502 32.980 32.980 32.399 0.581 25007 1884 1 4 . 1 1 502 502 ARG H H 502 8.663 8.663 8.957 -0.294 25007 1885 1 4 . 1 1 503 503 PHE N N 503 121.105 121.105 125.385 -4.280 25007 1886 1 4 . 1 1 503 503 PHE HA H 503 5.281 5.281 5.431 -0.150 25007 1887 1 4 . 1 1 503 503 PHE C C 503 176.268 176.268 176.332 -0.064 25007 1888 1 4 . 1 1 503 503 PHE CA C 503 55.736 55.736 57.101 -1.365 25007 1889 1 4 . 1 1 503 503 PHE CB C 503 41.345 41.345 40.098 1.247 25007 1890 1 4 . 1 1 503 503 PHE H H 503 8.691 8.691 8.827 -0.136 25007 1891 1 4 . 1 1 504 504 LYS N N 504 121.191 121.191 125.248 -4.057 25007 1892 1 4 . 1 1 504 504 LYS HA H 504 4.892 4.892 4.746 0.146 25007 1893 1 4 . 1 1 504 504 LYS C C 504 174.929 174.929 175.256 -0.327 25007 1894 1 4 . 1 1 504 504 LYS CA C 504 55.269 55.269 54.943 0.326 25007 1895 1 4 . 1 1 504 504 LYS CB C 504 36.405 36.405 35.028 1.377 25007 1896 1 4 . 1 1 504 504 LYS H H 504 8.914 8.914 8.791 0.123 25007 1897 1 4 . 1 1 505 505 LYS N N 505 126.575 126.575 126.674 -0.099 25007 1898 1 4 . 1 1 505 505 LYS HA H 505 4.860 4.860 4.580 0.280 25007 1899 1 4 . 1 1 505 505 LYS C C 505 174.542 174.542 175.579 -1.037 25007 1900 1 4 . 1 1 505 505 LYS CA C 505 55.484 55.484 55.778 -0.294 25007 1901 1 4 . 1 1 505 505 LYS CB C 505 34.831 34.831 33.720 1.111 25007 1902 1 4 . 1 1 505 505 LYS H H 505 8.822 8.822 8.829 -0.007 25007 1903 1 4 . 1 1 506 506 ASP N N 506 125.932 125.932 129.560 -3.628 25007 1904 1 4 . 1 1 506 506 ASP HA H 506 4.814 4.814 4.901 -0.087 25007 1905 1 4 . 1 1 506 506 ASP C C 506 176.075 176.075 176.208 -0.133 25007 1906 1 4 . 1 1 506 506 ASP CA C 506 52.597 52.597 53.646 -1.049 25007 1907 1 4 . 1 1 506 506 ASP CB C 506 41.813 41.813 42.001 -0.188 25007 1908 1 4 . 1 1 506 506 ASP H H 506 8.911 8.911 8.687 0.224 25007 1909 1 4 . 1 1 507 507 GLY N N 507 114.443 114.443 112.629 1.814 25007 1910 1 4 . 1 1 507 507 GLY C C 507 175.318 175.318 175.195 0.123 25007 1911 1 4 . 1 1 507 507 GLY CA C 507 47.542 47.542 46.848 0.694 25007 1912 1 4 . 1 1 507 507 GLY H H 507 8.989 8.989 8.694 0.295 25007 1913 1 4 . 1 1 508 508 GLN N N 508 128.587 128.587 123.668 4.919 25007 1914 1 4 . 1 1 508 508 GLN HA H 508 4.546 4.546 4.580 -0.034 25007 1915 1 4 . 1 1 508 508 GLN C C 508 174.087 174.087 176.596 -2.509 25007 1916 1 4 . 1 1 508 508 GLN CA C 508 57.107 57.107 56.067 1.040 25007 1917 1 4 . 1 1 508 508 GLN CB C 508 30.198 30.198 30.132 0.066 25007 1918 1 4 . 1 1 508 508 GLN H H 508 9.426 9.426 8.216 1.210 25007 1919 1 4 . 1 1 509 509 ARG N N 509 120.282 120.282 118.911 1.371 25007 1920 1 4 . 1 1 509 509 ARG HA H 509 4.971 4.971 4.943 0.028 25007 1921 1 4 . 1 1 509 509 ARG C C 509 174.531 174.531 174.927 -0.396 25007 1922 1 4 . 1 1 509 509 ARG CA C 509 56.149 56.149 54.800 1.349 25007 1923 1 4 . 1 1 509 509 ARG CB C 509 31.984 31.984 32.936 -0.952 25007 1924 1 4 . 1 1 509 509 ARG H H 509 8.185 8.185 7.951 0.234 25007 1925 1 4 . 1 1 510 510 HIS N N 510 122.738 122.738 119.643 3.095 25007 1926 1 4 . 1 1 510 510 HIS HA H 510 5.128 5.128 5.773 -0.645 25007 1927 1 4 . 1 1 510 510 HIS C C 510 174.763 174.763 175.089 -0.326 25007 1928 1 4 . 1 1 510 510 HIS CA C 510 56.499 56.499 54.467 2.032 25007 1929 1 4 . 1 1 510 510 HIS CB C 510 35.219 35.219 33.577 1.642 25007 1930 1 4 . 1 1 510 510 HIS H H 510 8.766 8.766 9.140 -0.374 25007 1931 1 4 . 1 1 511 511 HIS N N 511 118.975 118.975 121.774 -2.799 25007 1932 1 4 . 1 1 511 511 HIS HA H 511 6.074 6.074 5.431 0.643 25007 1933 1 4 . 1 1 511 511 HIS C C 511 173.805 173.805 174.082 -0.277 25007 1934 1 4 . 1 1 511 511 HIS CA C 511 53.886 53.886 54.825 -0.939 25007 1935 1 4 . 1 1 511 511 HIS CB C 511 33.159 33.159 32.361 0.798 25007 1936 1 4 . 1 1 511 511 HIS H H 511 9.314 9.314 9.571 -0.257 25007 1937 1 4 . 1 1 512 512 LEU N N 512 125.887 125.887 127.380 -1.493 25007 1938 1 4 . 1 1 512 512 LEU HA H 512 4.382 4.382 4.456 -0.074 25007 1939 1 4 . 1 1 512 512 LEU C C 512 174.018 174.018 174.601 -0.583 25007 1940 1 4 . 1 1 512 512 LEU CA C 512 54.038 54.038 53.450 0.588 25007 1941 1 4 . 1 1 512 512 LEU CB C 512 42.246 42.246 42.706 -0.460 25007 1942 1 4 . 1 1 512 512 LEU H H 512 8.403 8.403 8.892 -0.489 25007 1943 1 4 . 1 1 513 513 ILE N N 513 127.359 127.359 129.208 -1.849 25007 1944 1 4 . 1 1 513 513 ILE HA H 513 4.953 4.953 4.880 0.073 25007 1945 1 4 . 1 1 513 513 ILE C C 513 175.456 175.456 174.949 0.507 25007 1946 1 4 . 1 1 513 513 ILE CA C 513 59.184 59.184 59.756 -0.572 25007 1947 1 4 . 1 1 513 513 ILE CB C 513 40.899 40.899 39.934 0.966 25007 1948 1 4 . 1 1 513 513 ILE H H 513 8.885 8.885 9.007 -0.122 25007 1949 1 4 . 1 1 514 514 ILE N N 514 126.969 126.969 129.221 -2.252 25007 1950 1 4 . 1 1 514 514 ILE HA H 514 4.391 4.391 4.765 -0.374 25007 1951 1 4 . 1 1 514 514 ILE C C 514 175.544 175.544 175.618 -0.074 25007 1952 1 4 . 1 1 514 514 ILE CA C 514 60.181 60.181 60.388 -0.207 25007 1953 1 4 . 1 1 514 514 ILE CB C 514 39.580 39.580 38.120 1.460 25007 1954 1 4 . 1 1 514 514 ILE H H 514 8.929 8.929 9.025 -0.096 25007 1955 1 4 . 1 1 515 515 ASN N N 515 124.537 124.537 125.993 -1.456 25007 1956 1 4 . 1 1 515 515 ASN HA H 515 4.187 4.187 4.500 -0.313 25007 1957 1 4 . 1 1 515 515 ASN C C 515 174.955 174.955 175.128 -0.173 25007 1958 1 4 . 1 1 515 515 ASN CA C 515 57.082 57.082 55.402 1.680 25007 1959 1 4 . 1 1 515 515 ASN CB C 515 38.847 38.847 38.939 -0.092 25007 1960 1 4 . 1 1 515 515 ASN H H 515 8.112 8.112 8.730 -0.618 25007 1961 1 4 . 1 1 516 516 GLU N N 516 117.395 117.395 119.611 -2.216 25007 1962 1 4 . 1 1 516 516 GLU HA H 516 3.780 3.780 4.479 -0.699 25007 1963 1 4 . 1 1 516 516 GLU C C 516 173.992 173.992 174.585 -0.593 25007 1964 1 4 . 1 1 516 516 GLU CA C 516 55.067 55.067 55.061 0.006 25007 1965 1 4 . 1 1 516 516 GLU CB C 516 31.592 31.592 30.521 1.071 25007 1966 1 4 . 1 1 516 516 GLU H H 516 8.156 8.156 7.851 0.305 25007 1967 1 4 . 1 1 517 517 ALA N N 517 125.988 125.988 129.506 -3.518 25007 1968 1 4 . 1 1 517 517 ALA HA H 517 4.145 4.145 4.585 -0.440 25007 1969 1 4 . 1 1 517 517 ALA C C 517 177.314 177.314 176.046 1.268 25007 1970 1 4 . 1 1 517 517 ALA CA C 517 53.495 53.495 51.449 2.046 25007 1971 1 4 . 1 1 517 517 ALA CB C 517 18.842 18.842 19.950 -1.108 25007 1972 1 4 . 1 1 517 517 ALA H H 517 8.703 8.703 8.666 0.037 25007 1973 1 4 . 1 1 518 518 MET N N 518 123.199 123.199 121.692 1.507 25007 1974 1 4 . 1 1 518 518 MET HA H 518 4.845 4.845 4.750 0.095 25007 1975 1 4 . 1 1 518 518 MET C C 518 177.647 177.647 176.875 0.772 25007 1976 1 4 . 1 1 518 518 MET CA C 518 53.070 53.070 52.553 0.517 25007 1977 1 4 . 1 1 518 518 MET CB C 518 35.877 35.877 34.042 1.835 25007 1978 1 4 . 1 1 518 518 MET H H 518 9.802 9.802 8.723 1.079 25007 1979 1 4 . 1 1 519 519 LEU N N 519 123.266 123.266 122.687 0.579 25007 1980 1 4 . 1 1 519 519 LEU HA H 519 3.822 3.822 4.078 -0.256 25007 1981 1 4 . 1 1 519 519 LEU C C 519 180.760 180.760 179.000 1.760 25007 1982 1 4 . 1 1 519 519 LEU CA C 519 59.358 59.358 58.591 0.767 25007 1983 1 4 . 1 1 519 519 LEU CB C 519 40.910 40.910 40.799 0.111 25007 1984 1 4 . 1 1 519 519 LEU H H 519 9.097 9.097 8.527 0.570 25007 1985 1 4 . 1 1 520 520 GLU N N 520 115.379 115.379 116.371 -0.992 25007 1986 1 4 . 1 1 520 520 GLU HA H 520 4.243 4.243 4.200 0.043 25007 1987 1 4 . 1 1 520 520 GLU C C 520 176.447 176.447 177.008 -0.561 25007 1988 1 4 . 1 1 520 520 GLU CA C 520 58.255 58.255 57.570 0.685 25007 1989 1 4 . 1 1 520 520 GLU CB C 520 28.497 28.497 29.248 -0.751 25007 1990 1 4 . 1 1 520 520 GLU H H 520 9.071 9.071 8.323 0.748 25007 1991 1 4 . 1 1 521 521 ASP N N 521 117.057 117.057 119.306 -2.249 25007 1992 1 4 . 1 1 521 521 ASP HA H 521 4.650 4.650 4.552 0.098 25007 1993 1 4 . 1 1 521 521 ASP C C 521 176.747 176.747 177.771 -1.024 25007 1994 1 4 . 1 1 521 521 ASP CA C 521 55.790 55.790 56.204 -0.414 25007 1995 1 4 . 1 1 521 521 ASP CB C 521 40.882 40.882 41.272 -0.390 25007 1996 1 4 . 1 1 521 521 ASP H H 521 8.089 8.089 7.353 0.736 25007 1997 1 4 . 1 1 522 522 ALA N N 522 123.576 123.576 121.862 1.714 25007 1998 1 4 . 1 1 522 522 ALA HA H 522 4.138 4.138 4.283 -0.145 25007 1999 1 4 . 1 1 522 522 ALA C C 522 176.493 176.493 177.681 -1.188 25007 2000 1 4 . 1 1 522 522 ALA CA C 522 53.668 53.668 54.011 -0.343 25007 2001 1 4 . 1 1 522 522 ALA CB C 522 19.822 19.822 19.098 0.724 25007 2002 1 4 . 1 1 522 522 ALA H H 522 7.560 7.560 7.383 0.177 25007 2003 1 4 . 1 1 523 523 GLY N N 523 107.939 107.939 107.057 0.882 25007 2004 1 4 . 1 1 523 523 GLY C C 523 171.581 171.581 173.135 -1.554 25007 2005 1 4 . 1 1 523 523 GLY CA C 523 44.966 44.966 45.138 -0.172 25007 2006 1 4 . 1 1 523 523 GLY H H 523 8.486 8.486 7.887 0.599 25007 2007 1 4 . 1 1 524 524 HIS N N 524 119.624 119.624 119.469 0.155 25007 2008 1 4 . 1 1 524 524 HIS HA H 524 5.284 5.284 4.883 0.401 25007 2009 1 4 . 1 1 524 524 HIS C C 524 174.529 174.529 174.592 -0.063 25007 2010 1 4 . 1 1 524 524 HIS CA C 524 55.966 55.966 55.177 0.789 25007 2011 1 4 . 1 1 524 524 HIS CB C 524 29.911 29.911 30.412 -0.501 25007 2012 1 4 . 1 1 524 524 HIS H H 524 9.138 9.138 8.899 0.239 25007 2013 1 4 . 1 1 525 525 TYR N N 525 127.402 127.402 125.645 1.757 25007 2014 1 4 . 1 1 525 525 TYR HA H 525 5.188 5.188 5.164 0.024 25007 2015 1 4 . 1 1 525 525 TYR C C 525 173.765 173.765 174.730 -0.965 25007 2016 1 4 . 1 1 525 525 TYR CA C 525 57.235 57.235 56.860 0.375 25007 2017 1 4 . 1 1 525 525 TYR CB C 525 40.847 40.847 39.000 1.847 25007 2018 1 4 . 1 1 525 525 TYR H H 525 9.571 9.571 8.059 1.512 25007 2019 1 4 . 1 1 526 526 ALA N N 526 121.895 121.895 126.117 -4.222 25007 2020 1 4 . 1 1 526 526 ALA HA H 526 5.595 5.595 5.109 0.486 25007 2021 1 4 . 1 1 526 526 ALA C C 526 175.256 175.256 174.901 0.355 25007 2022 1 4 . 1 1 526 526 ALA CA C 526 49.674 49.674 50.228 -0.554 25007 2023 1 4 . 1 1 526 526 ALA CB C 526 24.106 24.106 22.259 1.847 25007 2024 1 4 . 1 1 526 526 ALA H H 526 9.096 9.096 9.443 -0.347 25007 2025 1 4 . 1 1 527 527 LEU N N 527 121.830 121.830 124.872 -3.042 25007 2026 1 4 . 1 1 527 527 LEU HA H 527 4.566 4.566 4.576 -0.010 25007 2027 1 4 . 1 1 527 527 LEU C C 527 175.945 175.945 175.101 0.844 25007 2028 1 4 . 1 1 527 527 LEU CA C 527 52.867 52.867 53.471 -0.604 25007 2029 1 4 . 1 1 527 527 LEU CB C 527 42.946 42.946 43.392 -0.446 25007 2030 1 4 . 1 1 527 527 LEU H H 527 8.164 8.164 8.382 -0.218 25007 2031 1 4 . 1 1 528 528 CYS N N 528 122.905 122.905 127.199 -4.294 25007 2032 1 4 . 1 1 528 528 CYS HA H 528 4.983 4.983 4.800 0.183 25007 2033 1 4 . 1 1 528 528 CYS C C 528 174.337 174.337 174.742 -0.405 25007 2034 1 4 . 1 1 528 528 CYS CA C 528 57.228 57.228 58.095 -0.867 25007 2035 1 4 . 1 1 528 528 CYS CB C 528 29.887 29.887 27.712 2.175 25007 2036 1 4 . 1 1 528 528 CYS H H 528 8.974 8.974 8.960 0.014 25007 2037 1 4 . 1 1 529 529 THR N N 529 116.293 116.293 115.870 0.423 25007 2038 1 4 . 1 1 529 529 THR HA H 529 4.693 4.693 4.778 -0.085 25007 2039 1 4 . 1 1 529 529 THR C C 529 175.292 175.292 175.653 -0.361 25007 2040 1 4 . 1 1 529 529 THR CA C 529 59.531 59.531 59.747 -0.216 25007 2041 1 4 . 1 1 529 529 THR CB C 529 71.282 71.282 70.817 0.465 25007 2042 1 4 . 1 1 529 529 THR H H 529 8.660 8.660 8.000 0.660 25007 2043 1 4 . 1 1 530 530 SER N N 530 115.090 115.090 115.299 -0.209 25007 2044 1 4 . 1 1 530 530 SER HA H 530 4.255 4.255 4.128 0.127 25007 2045 1 4 . 1 1 530 530 SER C C 530 175.719 175.719 175.012 0.707 25007 2046 1 4 . 1 1 530 530 SER CA C 530 59.970 59.970 60.002 -0.032 25007 2047 1 4 . 1 1 530 530 SER CB C 530 62.914 62.914 62.792 0.122 25007 2048 1 4 . 1 1 530 530 SER H H 530 9.373 9.373 8.816 0.557 25007 2049 1 4 . 1 1 531 531 GLY N N 531 108.629 108.629 106.347 2.282 25007 2050 1 4 . 1 1 531 531 GLY C C 531 173.708 173.708 174.021 -0.313 25007 2051 1 4 . 1 1 531 531 GLY CA C 531 45.032 45.032 44.593 0.439 25007 2052 1 4 . 1 1 531 531 GLY H H 531 8.145 8.145 7.240 0.905 25007 2053 1 4 . 1 1 532 532 GLY N N 532 109.085 109.085 107.227 1.858 25007 2054 1 4 . 1 1 532 532 GLY C C 532 170.571 170.571 172.273 -1.702 25007 2055 1 4 . 1 1 532 532 GLY CA C 532 45.443 45.443 44.069 1.374 25007 2056 1 4 . 1 1 532 532 GLY H H 532 7.518 7.518 8.184 -0.666 25007 2057 1 4 . 1 1 533 533 GLN N N 533 116.769 116.769 121.269 -4.500 25007 2058 1 4 . 1 1 533 533 GLN HA H 533 5.329 5.329 5.176 0.153 25007 2059 1 4 . 1 1 533 533 GLN C C 533 174.087 174.087 174.606 -0.519 25007 2060 1 4 . 1 1 533 533 GLN CA C 533 54.453 54.453 54.154 0.299 25007 2061 1 4 . 1 1 533 533 GLN CB C 533 32.474 32.474 32.019 0.455 25007 2062 1 4 . 1 1 533 533 GLN H H 533 8.302 8.302 8.260 0.042 25007 2063 1 4 . 1 1 534 534 ALA N N 534 126.978 126.978 129.160 -2.182 25007 2064 1 4 . 1 1 534 534 ALA HA H 534 4.845 4.845 4.620 0.225 25007 2065 1 4 . 1 1 534 534 ALA C C 534 174.509 174.509 174.506 0.003 25007 2066 1 4 . 1 1 534 534 ALA CA C 534 50.792 50.792 51.852 -1.060 25007 2067 1 4 . 1 1 534 534 ALA CB C 534 22.023 22.023 21.693 0.330 25007 2068 1 4 . 1 1 534 534 ALA H H 534 8.863 8.863 8.649 0.214 25007 2069 1 4 . 1 1 535 535 LEU N N 535 122.725 122.725 125.041 -2.316 25007 2070 1 4 . 1 1 535 535 LEU HA H 535 5.386 5.386 5.213 0.173 25007 2071 1 4 . 1 1 535 535 LEU C C 535 176.477 176.477 175.514 0.963 25007 2072 1 4 . 1 1 535 535 LEU CA C 535 54.253 54.253 53.935 0.318 25007 2073 1 4 . 1 1 535 535 LEU CB C 535 46.315 46.315 44.639 1.676 25007 2074 1 4 . 1 1 535 535 LEU H H 535 8.438 8.438 8.471 -0.033 25007 2075 1 4 . 1 1 536 536 ALA N N 536 125.405 125.405 128.655 -3.250 25007 2076 1 4 . 1 1 536 536 ALA HA H 536 4.740 4.740 4.820 -0.080 25007 2077 1 4 . 1 1 536 536 ALA C C 536 174.310 174.310 175.193 -0.883 25007 2078 1 4 . 1 1 536 536 ALA CA C 536 51.928 51.928 50.910 1.018 25007 2079 1 4 . 1 1 536 536 ALA CB C 536 24.477 24.477 22.756 1.721 25007 2080 1 4 . 1 1 536 536 ALA H H 536 9.336 9.336 9.164 0.172 25007 2081 1 4 . 1 1 537 537 GLU N N 537 121.895 121.895 119.643 2.252 25007 2082 1 4 . 1 1 537 537 GLU HA H 537 4.919 4.919 4.674 0.245 25007 2083 1 4 . 1 1 537 537 GLU C C 537 174.790 174.790 174.875 -0.085 25007 2084 1 4 . 1 1 537 537 GLU CA C 537 54.758 54.758 55.777 -1.019 25007 2085 1 4 . 1 1 537 537 GLU CB C 537 32.505 32.505 32.609 -0.104 25007 2086 1 4 . 1 1 537 537 GLU H H 537 9.296 9.296 8.864 0.432 25007 2087 1 4 . 1 1 538 538 LEU N N 538 125.064 125.064 127.274 -2.210 25007 2088 1 4 . 1 1 538 538 LEU HA H 538 5.365 5.365 4.839 0.526 25007 2089 1 4 . 1 1 538 538 LEU C C 538 175.931 175.931 175.485 0.446 25007 2090 1 4 . 1 1 538 538 LEU CA C 538 53.389 53.389 54.011 -0.622 25007 2091 1 4 . 1 1 538 538 LEU CB C 538 45.315 45.315 44.603 0.712 25007 2092 1 4 . 1 1 538 538 LEU H H 538 9.274 9.274 7.933 1.341 25007 2093 1 4 . 1 1 539 539 ILE N N 539 130.885 130.885 127.579 3.306 25007 2094 1 4 . 1 1 539 539 ILE HA H 539 4.282 4.282 4.237 0.045 25007 2095 1 4 . 1 1 539 539 ILE C C 539 173.958 173.958 174.585 -0.627 25007 2096 1 4 . 1 1 539 539 ILE CA C 539 61.171 61.171 59.833 1.338 25007 2097 1 4 . 1 1 539 539 ILE CB C 539 39.901 39.901 39.476 0.425 25007 2098 1 4 . 1 1 539 539 ILE H H 539 8.867 8.867 8.639 0.228 25007 2099 1 4 . 1 1 540 540 VAL N N 540 125.478 125.478 128.356 -2.878 25007 2100 1 4 . 1 1 540 540 VAL HA H 540 4.770 4.770 4.812 -0.042 25007 2101 1 4 . 1 1 540 540 VAL C C 540 174.948 174.948 175.962 -1.014 25007 2102 1 4 . 1 1 540 540 VAL CA C 540 60.316 60.316 61.608 -1.292 25007 2103 1 4 . 1 1 540 540 VAL CB C 540 33.691 33.691 32.915 0.776 25007 2104 1 4 . 1 1 540 540 VAL H H 540 7.880 7.880 8.625 -0.745 25007 2105 1 4 . 1 1 541 541 GLN N N 541 126.082 126.082 127.038 -0.956 25007 2106 1 4 . 1 1 541 541 GLN HA H 541 4.618 4.618 4.725 -0.107 25007 2107 1 4 . 1 1 541 541 GLN C C 541 174.952 174.952 174.648 0.304 25007 2108 1 4 . 1 1 541 541 GLN CA C 541 54.372 54.372 53.474 0.898 25007 2109 1 4 . 1 1 541 541 GLN CB C 541 31.571 31.571 32.147 -0.576 25007 2110 1 4 . 1 1 541 541 GLN H H 541 9.066 9.066 8.424 0.642 25007 2111 1 4 . 1 1 542 542 GLU N N 542 122.178 122.178 121.708 0.470 25007 2112 1 4 . 1 1 542 542 GLU HA H 542 4.312 4.312 4.472 -0.160 25007 2113 1 4 . 1 1 542 542 GLU C C 542 175.419 175.419 175.499 -0.080 25007 2114 1 4 . 1 1 542 542 GLU CA C 542 57.108 57.108 55.565 1.543 25007 2115 1 4 . 1 1 542 542 GLU CB C 542 31.266 31.266 30.913 0.353 25007 2116 1 4 . 1 1 542 542 GLU H H 542 8.742 8.742 8.529 0.213 25007 2117 1 5 . 1 1 451 451 HIS HA H 451 4.656 4.656 4.690 -0.034 25007 2118 1 5 . 1 1 451 451 HIS C C 451 174.793 174.793 174.772 0.021 25007 2119 1 5 . 1 1 451 451 HIS CA C 451 55.947 55.947 56.126 -0.179 25007 2120 1 5 . 1 1 451 451 HIS CB C 451 29.903 29.903 30.361 -0.458 25007 2121 1 5 . 1 1 452 452 MET N N 452 123.193 123.193 123.287 -0.094 25007 2122 1 5 . 1 1 452 452 MET C C 452 173.991 173.991 173.718 0.273 25007 2123 1 5 . 1 1 452 452 MET CA C 452 53.192 53.192 52.855 0.337 25007 2124 1 5 . 1 1 452 452 MET CB C 452 31.977 31.977 33.495 -1.518 25007 2125 1 5 . 1 1 452 452 MET H H 452 8.342 8.342 8.081 0.261 25007 2126 1 5 . 1 1 453 453 PRO HA H 453 4.293 4.293 4.458 -0.165 25007 2127 1 5 . 1 1 453 453 PRO C C 453 175.733 175.733 175.931 -0.198 25007 2128 1 5 . 1 1 453 453 PRO CA C 453 62.734 62.734 62.227 0.507 25007 2129 1 5 . 1 1 453 453 PRO CB C 453 32.139 32.139 32.274 -0.135 25007 2130 1 5 . 1 1 454 454 VAL N N 454 122.227 122.227 123.451 -1.224 25007 2131 1 5 . 1 1 454 454 VAL HA H 454 3.732 3.732 3.886 -0.154 25007 2132 1 5 . 1 1 454 454 VAL C C 454 175.296 175.296 175.470 -0.174 25007 2133 1 5 . 1 1 454 454 VAL CA C 454 63.126 63.126 62.784 0.342 25007 2134 1 5 . 1 1 454 454 VAL CB C 454 32.085 32.085 31.561 0.523 25007 2135 1 5 . 1 1 454 454 VAL H H 454 7.799 7.799 8.327 -0.528 25007 2136 1 5 . 1 1 455 455 LEU N N 455 129.419 129.419 129.218 0.201 25007 2137 1 5 . 1 1 455 455 LEU HA H 455 4.435 4.435 4.659 -0.224 25007 2138 1 5 . 1 1 455 455 LEU C C 455 176.294 176.294 175.243 1.051 25007 2139 1 5 . 1 1 455 455 LEU CA C 455 52.797 52.797 53.879 -1.082 25007 2140 1 5 . 1 1 455 455 LEU CB C 455 43.631 43.631 45.039 -1.408 25007 2141 1 5 . 1 1 455 455 LEU H H 455 8.571 8.571 8.178 0.393 25007 2142 1 5 . 1 1 456 456 ILE N N 456 120.867 120.867 122.967 -2.100 25007 2143 1 5 . 1 1 456 456 ILE HA H 456 4.229 4.229 4.497 -0.268 25007 2144 1 5 . 1 1 456 456 ILE C C 456 176.619 176.619 176.390 0.229 25007 2145 1 5 . 1 1 456 456 ILE CA C 456 60.780 60.780 61.103 -0.323 25007 2146 1 5 . 1 1 456 456 ILE CB C 456 36.796 36.796 36.913 -0.117 25007 2147 1 5 . 1 1 456 456 ILE H H 456 8.507 8.507 8.410 0.097 25007 2148 1 5 . 1 1 457 457 THR N N 457 120.915 120.915 119.482 1.433 25007 2149 1 5 . 1 1 457 457 THR HA H 457 4.285 4.285 4.180 0.105 25007 2150 1 5 . 1 1 457 457 THR C C 457 175.963 175.963 175.409 0.554 25007 2151 1 5 . 1 1 457 457 THR CA C 457 62.753 62.753 63.445 -0.692 25007 2152 1 5 . 1 1 457 457 THR CB C 457 67.879 67.879 69.452 -1.573 25007 2153 1 5 . 1 1 457 457 THR H H 457 8.657 8.657 8.240 0.417 25007 2154 1 5 . 1 1 458 458 ARG N N 458 122.699 122.699 123.458 -0.759 25007 2155 1 5 . 1 1 458 458 ARG HA H 458 4.923 4.923 4.921 0.002 25007 2156 1 5 . 1 1 458 458 ARG C C 458 173.213 173.213 173.726 -0.513 25007 2157 1 5 . 1 1 458 458 ARG CA C 458 53.918 53.918 52.331 1.587 25007 2158 1 5 . 1 1 458 458 ARG CB C 458 32.559 32.559 30.912 1.647 25007 2159 1 5 . 1 1 458 458 ARG H H 458 7.552 7.552 7.653 -0.101 25007 2160 1 5 . 1 1 459 459 PRO HA H 459 4.298 4.298 4.433 -0.135 25007 2161 1 5 . 1 1 459 459 PRO C C 459 175.741 175.741 176.180 -0.439 25007 2162 1 5 . 1 1 459 459 PRO CA C 459 62.575 62.575 62.353 0.222 25007 2163 1 5 . 1 1 459 459 PRO CB C 459 32.551 32.551 32.402 0.149 25007 2164 1 5 . 1 1 460 460 LEU N N 460 115.474 115.474 120.195 -4.721 25007 2165 1 5 . 1 1 460 460 LEU HA H 460 4.563 4.563 4.624 -0.061 25007 2166 1 5 . 1 1 460 460 LEU C C 460 176.142 176.142 178.444 -2.302 25007 2167 1 5 . 1 1 460 460 LEU CA C 460 55.013 55.013 54.391 0.622 25007 2168 1 5 . 1 1 460 460 LEU CB C 460 45.292 45.292 42.100 3.192 25007 2169 1 5 . 1 1 460 460 LEU H H 460 6.157 6.157 8.222 -2.065 25007 2170 1 5 . 1 1 461 461 GLU N N 461 120.613 120.613 120.303 0.310 25007 2171 1 5 . 1 1 461 461 GLU HA H 461 4.795 4.795 4.273 0.522 25007 2172 1 5 . 1 1 461 461 GLU C C 461 175.540 175.540 176.862 -1.322 25007 2173 1 5 . 1 1 461 461 GLU CA C 461 54.657 54.657 57.138 -2.481 25007 2174 1 5 . 1 1 461 461 GLU CB C 461 32.600 32.600 30.990 1.610 25007 2175 1 5 . 1 1 461 461 GLU H H 461 8.387 8.387 8.778 -0.391 25007 2176 1 5 . 1 1 462 462 ASP N N 462 122.579 122.579 121.850 0.729 25007 2177 1 5 . 1 1 462 462 ASP HA H 462 5.031 5.031 4.675 0.356 25007 2178 1 5 . 1 1 462 462 ASP C C 462 176.359 176.359 175.514 0.845 25007 2179 1 5 . 1 1 462 462 ASP CA C 462 55.433 55.433 54.704 0.729 25007 2180 1 5 . 1 1 462 462 ASP CB C 462 41.069 41.069 40.633 0.436 25007 2181 1 5 . 1 1 462 462 ASP H H 462 8.599 8.599 8.736 -0.137 25007 2182 1 5 . 1 1 463 463 GLN N N 463 117.028 117.028 117.610 -0.582 25007 2183 1 5 . 1 1 463 463 GLN HA H 463 4.667 4.667 4.463 0.204 25007 2184 1 5 . 1 1 463 463 GLN C C 463 173.563 173.563 174.166 -0.603 25007 2185 1 5 . 1 1 463 463 GLN CA C 463 54.227 54.227 54.859 -0.632 25007 2186 1 5 . 1 1 463 463 GLN CB C 463 33.204 33.204 30.998 2.206 25007 2187 1 5 . 1 1 463 463 GLN H H 463 8.755 8.755 7.739 1.016 25007 2188 1 5 . 1 1 464 464 LEU N N 464 127.581 127.581 120.038 7.543 25007 2189 1 5 . 1 1 464 464 LEU HA H 464 5.307 5.307 4.850 0.457 25007 2190 1 5 . 1 1 464 464 LEU C C 464 175.838 175.838 175.542 0.296 25007 2191 1 5 . 1 1 464 464 LEU CA C 464 54.667 54.667 54.022 0.645 25007 2192 1 5 . 1 1 464 464 LEU CB C 464 44.018 44.018 43.478 0.540 25007 2193 1 5 . 1 1 464 464 LEU H H 464 8.415 8.415 8.197 0.218 25007 2194 1 5 . 1 1 465 465 VAL N N 465 119.279 119.279 114.555 4.724 25007 2195 1 5 . 1 1 465 465 VAL HA H 465 4.774 4.774 4.431 0.343 25007 2196 1 5 . 1 1 465 465 VAL C C 465 173.711 173.711 175.042 -1.331 25007 2197 1 5 . 1 1 465 465 VAL CA C 465 58.517 58.517 59.044 -0.527 25007 2198 1 5 . 1 1 465 465 VAL CB C 465 36.110 36.110 34.636 1.474 25007 2199 1 5 . 1 1 465 465 VAL H H 465 8.695 8.695 8.075 0.620 25007 2200 1 5 . 1 1 466 466 MET N N 466 119.214 119.214 118.314 0.900 25007 2201 1 5 . 1 1 466 466 MET HA H 466 5.247 5.247 4.945 0.302 25007 2202 1 5 . 1 1 466 466 MET C C 466 176.491 176.491 177.021 -0.530 25007 2203 1 5 . 1 1 466 466 MET CA C 466 52.783 52.783 54.899 -2.116 25007 2204 1 5 . 1 1 466 466 MET CB C 466 33.609 33.609 34.496 -0.887 25007 2205 1 5 . 1 1 466 466 MET H H 466 8.073 8.073 8.335 -0.262 25007 2206 1 5 . 1 1 467 467 VAL N N 467 119.566 119.566 121.518 -1.952 25007 2207 1 5 . 1 1 467 467 VAL HA H 467 3.420 3.420 3.978 -0.558 25007 2208 1 5 . 1 1 467 467 VAL C C 467 176.899 176.899 177.824 -0.925 25007 2209 1 5 . 1 1 467 467 VAL CA C 467 64.475 64.475 63.820 0.655 25007 2210 1 5 . 1 1 467 467 VAL CB C 467 32.180 32.180 30.419 1.761 25007 2211 1 5 . 1 1 467 467 VAL H H 467 7.891 7.891 7.931 -0.040 25007 2212 1 5 . 1 1 468 468 GLY N N 468 115.391 115.391 116.640 -1.249 25007 2213 1 5 . 1 1 468 468 GLY C C 468 174.446 174.446 173.470 0.976 25007 2214 1 5 . 1 1 468 468 GLY CA C 468 44.690 44.690 44.956 -0.266 25007 2215 1 5 . 1 1 468 468 GLY H H 468 9.784 9.784 8.887 0.897 25007 2216 1 5 . 1 1 469 469 GLN N N 469 120.312 120.312 120.929 -0.617 25007 2217 1 5 . 1 1 469 469 GLN HA H 469 4.396 4.396 4.442 -0.046 25007 2218 1 5 . 1 1 469 469 GLN C C 469 174.534 174.534 175.559 -1.025 25007 2219 1 5 . 1 1 469 469 GLN CA C 469 55.882 55.882 54.756 1.126 25007 2220 1 5 . 1 1 469 469 GLN CB C 469 30.330 30.330 30.536 -0.206 25007 2221 1 5 . 1 1 469 469 GLN H H 469 7.948 7.948 7.665 0.283 25007 2222 1 5 . 1 1 470 470 ARG N N 470 122.876 122.876 125.243 -2.367 25007 2223 1 5 . 1 1 470 470 ARG HA H 470 4.559 4.559 5.017 -0.458 25007 2224 1 5 . 1 1 470 470 ARG C C 470 175.944 175.944 175.549 0.395 25007 2225 1 5 . 1 1 470 470 ARG CA C 470 55.425 55.425 55.896 -0.471 25007 2226 1 5 . 1 1 470 470 ARG CB C 470 31.418 31.418 31.148 0.270 25007 2227 1 5 . 1 1 470 470 ARG H H 470 8.133 8.133 8.457 -0.324 25007 2228 1 5 . 1 1 471 471 VAL N N 471 126.868 126.868 120.637 6.231 25007 2229 1 5 . 1 1 471 471 VAL HA H 471 4.125 4.125 4.335 -0.210 25007 2230 1 5 . 1 1 471 471 VAL C C 471 173.258 173.258 173.317 -0.059 25007 2231 1 5 . 1 1 471 471 VAL CA C 471 60.324 60.324 60.330 -0.006 25007 2232 1 5 . 1 1 471 471 VAL CB C 471 34.719 34.719 35.576 -0.857 25007 2233 1 5 . 1 1 471 471 VAL H H 471 8.809 8.809 8.065 0.744 25007 2234 1 5 . 1 1 472 472 GLU N N 472 126.535 126.535 126.968 -0.433 25007 2235 1 5 . 1 1 472 472 GLU HA H 472 5.064 5.064 5.120 -0.056 25007 2236 1 5 . 1 1 472 472 GLU C C 472 175.149 175.149 175.651 -0.502 25007 2237 1 5 . 1 1 472 472 GLU CA C 472 54.581 54.581 54.950 -0.369 25007 2238 1 5 . 1 1 472 472 GLU CB C 472 32.264 32.264 31.126 1.138 25007 2239 1 5 . 1 1 472 472 GLU H H 472 8.650 8.650 8.366 0.284 25007 2240 1 5 . 1 1 473 473 PHE N N 473 125.481 125.481 125.174 0.307 25007 2241 1 5 . 1 1 473 473 PHE HA H 473 4.731 4.731 4.765 -0.034 25007 2242 1 5 . 1 1 473 473 PHE C C 473 175.039 175.039 175.153 -0.114 25007 2243 1 5 . 1 1 473 473 PHE CA C 473 57.568 57.568 57.104 0.464 25007 2244 1 5 . 1 1 473 473 PHE CB C 473 41.957 41.957 40.787 1.170 25007 2245 1 5 . 1 1 473 473 PHE H H 473 9.269 9.269 9.084 0.185 25007 2246 1 5 . 1 1 474 474 GLU N N 474 120.740 120.740 125.171 -4.431 25007 2247 1 5 . 1 1 474 474 GLU HA H 474 5.345 5.345 4.945 0.400 25007 2248 1 5 . 1 1 474 474 GLU C C 474 174.352 174.352 175.894 -1.542 25007 2249 1 5 . 1 1 474 474 GLU CA C 474 54.701 54.701 55.056 -0.354 25007 2250 1 5 . 1 1 474 474 GLU CB C 474 33.357 33.357 31.448 1.909 25007 2251 1 5 . 1 1 474 474 GLU H H 474 8.464 8.464 9.117 -0.653 25007 2252 1 5 . 1 1 475 475 CYS N N 475 121.489 121.489 121.636 -0.147 25007 2253 1 5 . 1 1 475 475 CYS HA H 475 4.808 4.808 5.707 -0.899 25007 2254 1 5 . 1 1 475 475 CYS C C 475 172.098 172.098 173.750 -1.652 25007 2255 1 5 . 1 1 475 475 CYS CA C 475 56.609 56.609 55.967 0.642 25007 2256 1 5 . 1 1 475 475 CYS CB C 475 30.959 30.959 30.122 0.837 25007 2257 1 5 . 1 1 475 475 CYS H H 475 8.975 8.975 8.678 0.297 25007 2258 1 5 . 1 1 476 476 GLU N N 476 123.429 123.429 125.015 -1.586 25007 2259 1 5 . 1 1 476 476 GLU HA H 476 5.508 5.508 4.971 0.537 25007 2260 1 5 . 1 1 476 476 GLU C C 476 175.188 175.188 175.847 -0.659 25007 2261 1 5 . 1 1 476 476 GLU CA C 476 55.034 55.034 54.970 0.064 25007 2262 1 5 . 1 1 476 476 GLU CB C 476 34.226 34.226 32.435 1.791 25007 2263 1 5 . 1 1 476 476 GLU H H 476 8.550 8.550 8.330 0.220 25007 2264 1 5 . 1 1 477 477 VAL N N 477 116.564 116.564 118.619 -2.055 25007 2265 1 5 . 1 1 477 477 VAL HA H 477 5.411 5.411 5.172 0.239 25007 2266 1 5 . 1 1 477 477 VAL C C 477 177.337 177.337 175.911 1.426 25007 2267 1 5 . 1 1 477 477 VAL CA C 477 58.807 58.807 58.328 0.479 25007 2268 1 5 . 1 1 477 477 VAL CB C 477 33.847 33.847 34.495 -0.648 25007 2269 1 5 . 1 1 477 477 VAL H H 477 8.713 8.713 8.237 0.476 25007 2270 1 5 . 1 1 478 478 SER N N 478 111.232 111.232 116.340 -5.108 25007 2271 1 5 . 1 1 478 478 SER HA H 478 4.040 4.040 4.181 -0.141 25007 2272 1 5 . 1 1 478 478 SER C C 478 173.819 173.819 174.378 -0.559 25007 2273 1 5 . 1 1 478 478 SER CA C 478 61.120 61.120 61.297 -0.177 25007 2274 1 5 . 1 1 478 478 SER CB C 478 63.537 63.537 63.589 -0.052 25007 2275 1 5 . 1 1 478 478 SER H H 478 8.756 8.756 8.384 0.372 25007 2276 1 5 . 1 1 479 479 GLU N N 479 116.963 116.963 118.364 -1.401 25007 2277 1 5 . 1 1 479 479 GLU HA H 479 4.846 4.846 4.455 0.391 25007 2278 1 5 . 1 1 479 479 GLU C C 479 175.936 175.936 175.145 0.791 25007 2279 1 5 . 1 1 479 479 GLU CA C 479 54.505 54.505 54.746 -0.241 25007 2280 1 5 . 1 1 479 479 GLU CB C 479 33.938 33.938 32.053 1.885 25007 2281 1 5 . 1 1 479 479 GLU H H 479 6.771 6.771 7.727 -0.956 25007 2282 1 5 . 1 1 480 480 GLU N N 480 124.445 124.445 122.776 1.669 25007 2283 1 5 . 1 1 480 480 GLU HA H 480 4.402 4.402 4.265 0.137 25007 2284 1 5 . 1 1 480 480 GLU C C 480 176.539 176.539 177.042 -0.503 25007 2285 1 5 . 1 1 480 480 GLU CA C 480 57.860 57.860 56.393 1.467 25007 2286 1 5 . 1 1 480 480 GLU CB C 480 30.072 30.072 29.581 0.491 25007 2287 1 5 . 1 1 480 480 GLU H H 480 9.224 9.224 8.596 0.628 25007 2288 1 5 . 1 1 481 481 GLY C C 481 174.358 174.358 174.491 -0.133 25007 2289 1 5 . 1 1 481 481 GLY CA C 481 45.799 45.799 45.579 0.220 25007 2290 1 5 . 1 1 482 482 ALA N N 482 121.272 121.272 122.756 -1.484 25007 2291 1 5 . 1 1 482 482 ALA HA H 482 4.369 4.369 4.163 0.206 25007 2292 1 5 . 1 1 482 482 ALA C C 482 177.182 177.182 176.881 0.301 25007 2293 1 5 . 1 1 482 482 ALA CA C 482 52.389 52.389 52.800 -0.411 25007 2294 1 5 . 1 1 482 482 ALA CB C 482 20.558 20.558 19.640 0.918 25007 2295 1 5 . 1 1 482 482 ALA H H 482 7.407 7.407 7.320 0.087 25007 2296 1 5 . 1 1 483 483 GLN N N 483 121.348 121.348 121.708 -0.360 25007 2297 1 5 . 1 1 483 483 GLN HA H 483 4.434 4.434 4.271 0.163 25007 2298 1 5 . 1 1 483 483 GLN C C 483 175.702 175.702 175.110 0.592 25007 2299 1 5 . 1 1 483 483 GLN CA C 483 55.355 55.355 56.129 -0.774 25007 2300 1 5 . 1 1 483 483 GLN CB C 483 28.785 28.785 29.542 -0.757 25007 2301 1 5 . 1 1 483 483 GLN H H 483 8.508 8.508 8.601 -0.093 25007 2302 1 5 . 1 1 484 484 VAL N N 484 118.367 118.367 116.557 1.810 25007 2303 1 5 . 1 1 484 484 VAL HA H 484 4.907 4.907 4.274 0.633 25007 2304 1 5 . 1 1 484 484 VAL C C 484 174.865 174.865 174.550 0.315 25007 2305 1 5 . 1 1 484 484 VAL CA C 484 58.403 58.403 59.702 -1.298 25007 2306 1 5 . 1 1 484 484 VAL CB C 484 34.477 34.477 34.510 -0.033 25007 2307 1 5 . 1 1 484 484 VAL H H 484 8.269 8.269 7.860 0.409 25007 2308 1 5 . 1 1 485 485 LYS N N 485 119.929 119.929 123.020 -3.091 25007 2309 1 5 . 1 1 485 485 LYS HA H 485 4.586 4.586 4.584 0.002 25007 2310 1 5 . 1 1 485 485 LYS C C 485 173.947 173.947 174.897 -0.950 25007 2311 1 5 . 1 1 485 485 LYS CA C 485 54.986 54.986 55.075 -0.089 25007 2312 1 5 . 1 1 485 485 LYS CB C 485 36.634 36.634 34.728 1.906 25007 2313 1 5 . 1 1 485 485 LYS H H 485 8.013 8.013 8.503 -0.490 25007 2314 1 5 . 1 1 486 486 TRP N N 486 123.614 123.614 126.229 -2.615 25007 2315 1 5 . 1 1 486 486 TRP HA H 486 5.602 5.602 4.662 0.940 25007 2316 1 5 . 1 1 486 486 TRP C C 486 175.998 175.998 174.958 1.040 25007 2317 1 5 . 1 1 486 486 TRP CA C 486 55.808 55.808 56.621 -0.813 25007 2318 1 5 . 1 1 486 486 TRP CB C 486 32.003 32.003 30.984 1.019 25007 2319 1 5 . 1 1 486 486 TRP H H 486 8.776 8.776 8.853 -0.077 25007 2320 1 5 . 1 1 487 487 LEU N N 487 121.275 121.275 124.585 -3.310 25007 2321 1 5 . 1 1 487 487 LEU HA H 487 5.181 5.181 5.609 -0.428 25007 2322 1 5 . 1 1 487 487 LEU C C 487 175.805 175.805 175.486 0.319 25007 2323 1 5 . 1 1 487 487 LEU CA C 487 53.541 53.541 53.285 0.256 25007 2324 1 5 . 1 1 487 487 LEU CB C 487 46.105 46.105 46.462 -0.357 25007 2325 1 5 . 1 1 487 487 LEU H H 487 9.581 9.581 8.359 1.222 25007 2326 1 5 . 1 1 488 488 LYS N N 488 119.146 119.146 123.265 -4.119 25007 2327 1 5 . 1 1 488 488 LYS HA H 488 4.439 4.439 5.081 -0.642 25007 2328 1 5 . 1 1 488 488 LYS C C 488 176.682 176.682 176.578 0.104 25007 2329 1 5 . 1 1 488 488 LYS CA C 488 55.102 55.102 54.968 0.134 25007 2330 1 5 . 1 1 488 488 LYS CB C 488 35.535 35.535 34.002 1.533 25007 2331 1 5 . 1 1 488 488 LYS H H 488 8.681 8.681 8.911 -0.230 25007 2332 1 5 . 1 1 489 489 ASP N N 489 130.284 130.284 128.897 1.387 25007 2333 1 5 . 1 1 489 489 ASP HA H 489 4.361 4.361 4.381 -0.020 25007 2334 1 5 . 1 1 489 489 ASP C C 489 176.145 176.145 176.178 -0.033 25007 2335 1 5 . 1 1 489 489 ASP CA C 489 55.968 55.968 55.926 0.042 25007 2336 1 5 . 1 1 489 489 ASP CB C 489 40.051 40.051 39.720 0.331 25007 2337 1 5 . 1 1 489 489 ASP H H 489 9.860 9.860 9.609 0.251 25007 2338 1 5 . 1 1 490 490 GLY N N 490 101.712 101.712 103.566 -1.854 25007 2339 1 5 . 1 1 490 490 GLY C C 490 173.542 173.542 173.943 -0.401 25007 2340 1 5 . 1 1 490 490 GLY CA C 490 45.240 45.240 44.938 0.302 25007 2341 1 5 . 1 1 490 490 GLY H H 490 8.668 8.668 8.565 0.103 25007 2342 1 5 . 1 1 491 491 VAL N N 491 123.365 123.365 122.089 1.276 25007 2343 1 5 . 1 1 491 491 VAL HA H 491 4.168 4.168 4.222 -0.054 25007 2344 1 5 . 1 1 491 491 VAL C C 491 175.179 175.179 175.217 -0.038 25007 2345 1 5 . 1 1 491 491 VAL CA C 491 61.629 61.629 61.283 0.346 25007 2346 1 5 . 1 1 491 491 VAL CB C 491 33.515 33.515 33.136 0.379 25007 2347 1 5 . 1 1 491 491 VAL H H 491 7.917 7.917 7.686 0.231 25007 2348 1 5 . 1 1 492 492 GLU N N 492 127.979 127.979 127.489 0.490 25007 2349 1 5 . 1 1 492 492 GLU HA H 492 4.395 4.395 4.454 -0.059 25007 2350 1 5 . 1 1 492 492 GLU C C 492 176.695 176.695 176.360 0.335 25007 2351 1 5 . 1 1 492 492 GLU CA C 492 57.585 57.585 56.884 0.701 25007 2352 1 5 . 1 1 492 492 GLU CB C 492 29.870 29.870 29.746 0.124 25007 2353 1 5 . 1 1 492 492 GLU H H 492 8.759 8.759 8.693 0.066 25007 2354 1 5 . 1 1 493 493 LEU N N 493 127.568 127.568 128.660 -1.092 25007 2355 1 5 . 1 1 493 493 LEU HA H 493 4.539 4.539 4.557 -0.018 25007 2356 1 5 . 1 1 493 493 LEU C C 493 176.807 176.807 176.921 -0.114 25007 2357 1 5 . 1 1 493 493 LEU CA C 493 54.305 54.305 54.155 0.150 25007 2358 1 5 . 1 1 493 493 LEU CB C 493 41.768 41.768 41.870 -0.102 25007 2359 1 5 . 1 1 493 493 LEU H H 493 8.884 8.884 8.898 -0.014 25007 2360 1 5 . 1 1 494 494 THR N N 494 115.006 115.006 119.512 -4.506 25007 2361 1 5 . 1 1 494 494 THR HA H 494 4.462 4.462 4.260 0.202 25007 2362 1 5 . 1 1 494 494 THR C C 494 174.638 174.638 174.990 -0.352 25007 2363 1 5 . 1 1 494 494 THR CA C 494 61.263 61.263 62.931 -1.668 25007 2364 1 5 . 1 1 494 494 THR CB C 494 70.112 70.112 69.696 0.416 25007 2365 1 5 . 1 1 494 494 THR H H 494 8.315 8.315 8.724 -0.409 25007 2366 1 5 . 1 1 495 495 ARG N N 495 121.376 121.376 126.788 -5.412 25007 2367 1 5 . 1 1 495 495 ARG HA H 495 4.236 4.236 4.876 -0.640 25007 2368 1 5 . 1 1 495 495 ARG C C 495 176.661 176.661 177.299 -0.638 25007 2369 1 5 . 1 1 495 495 ARG CA C 495 56.528 56.528 55.099 1.429 25007 2370 1 5 . 1 1 495 495 ARG CB C 495 29.747 29.747 29.511 0.236 25007 2371 1 5 . 1 1 495 495 ARG H H 495 8.442 8.442 8.473 -0.031 25007 2372 1 5 . 1 1 496 496 GLU N N 496 120.213 120.213 121.948 -1.735 25007 2373 1 5 . 1 1 496 496 GLU HA H 496 4.300 4.300 4.113 0.187 25007 2374 1 5 . 1 1 496 496 GLU C C 496 176.615 176.615 176.788 -0.173 25007 2375 1 5 . 1 1 496 496 GLU CA C 496 57.036 57.036 58.780 -1.744 25007 2376 1 5 . 1 1 496 496 GLU CB C 496 30.369 30.369 29.981 0.388 25007 2377 1 5 . 1 1 496 496 GLU H H 496 8.230 8.230 8.029 0.201 25007 2378 1 5 . 1 1 497 497 GLU N N 497 120.969 120.969 117.474 3.495 25007 2379 1 5 . 1 1 497 497 GLU HA H 497 4.432 4.432 4.513 -0.081 25007 2380 1 5 . 1 1 497 497 GLU C C 497 176.587 176.587 174.735 1.852 25007 2381 1 5 . 1 1 497 497 GLU CA C 497 56.731 56.731 56.079 0.652 25007 2382 1 5 . 1 1 497 497 GLU CB C 497 29.467 29.467 30.784 -1.317 25007 2383 1 5 . 1 1 497 497 GLU H H 497 8.286 8.286 7.849 0.437 25007 2384 1 5 . 1 1 498 498 THR N N 498 114.281 114.281 117.325 -3.044 25007 2385 1 5 . 1 1 498 498 THR HA H 498 4.540 4.540 4.485 0.055 25007 2386 1 5 . 1 1 498 498 THR C C 498 174.512 174.512 174.292 0.220 25007 2387 1 5 . 1 1 498 498 THR CA C 498 61.494 61.494 60.888 0.606 25007 2388 1 5 . 1 1 498 498 THR CB C 498 70.298 70.298 70.602 -0.304 25007 2389 1 5 . 1 1 498 498 THR H H 498 8.192 8.192 8.148 0.044 25007 2390 1 5 . 1 1 499 499 PHE N N 499 119.424 119.424 123.548 -4.124 25007 2391 1 5 . 1 1 499 499 PHE HA H 499 4.557 4.557 4.506 0.051 25007 2392 1 5 . 1 1 499 499 PHE C C 499 176.196 176.196 176.508 -0.312 25007 2393 1 5 . 1 1 499 499 PHE CA C 499 58.536 58.536 59.580 -1.044 25007 2394 1 5 . 1 1 499 499 PHE CB C 499 38.497 38.497 39.611 -1.114 25007 2395 1 5 . 1 1 499 499 PHE H H 499 8.191 8.191 8.567 -0.376 25007 2396 1 5 . 1 1 500 500 LYS N N 500 120.866 120.866 118.430 2.436 25007 2397 1 5 . 1 1 500 500 LYS HA H 500 4.011 4.011 4.161 -0.150 25007 2398 1 5 . 1 1 500 500 LYS C C 500 175.712 175.712 175.588 0.124 25007 2399 1 5 . 1 1 500 500 LYS CA C 500 57.773 57.773 58.519 -0.746 25007 2400 1 5 . 1 1 500 500 LYS CB C 500 33.363 33.363 32.894 0.469 25007 2401 1 5 . 1 1 500 500 LYS H H 500 7.848 7.848 8.102 -0.254 25007 2402 1 5 . 1 1 501 501 TYR N N 501 114.937 114.937 115.903 -0.966 25007 2403 1 5 . 1 1 501 501 TYR HA H 501 5.313 5.313 5.334 -0.021 25007 2404 1 5 . 1 1 501 501 TYR C C 501 175.113 175.113 175.893 -0.780 25007 2405 1 5 . 1 1 501 501 TYR CA C 501 55.044 55.044 55.780 -0.736 25007 2406 1 5 . 1 1 501 501 TYR CB C 501 41.727 41.727 39.542 2.185 25007 2407 1 5 . 1 1 501 501 TYR H H 501 7.214 7.214 7.152 0.062 25007 2408 1 5 . 1 1 502 502 ARG N N 502 119.116 119.116 121.086 -1.970 25007 2409 1 5 . 1 1 502 502 ARG HA H 502 4.543 4.543 4.661 -0.118 25007 2410 1 5 . 1 1 502 502 ARG C C 502 173.549 173.549 174.383 -0.834 25007 2411 1 5 . 1 1 502 502 ARG CA C 502 54.462 54.462 54.718 -0.256 25007 2412 1 5 . 1 1 502 502 ARG CB C 502 32.980 32.980 33.388 -0.408 25007 2413 1 5 . 1 1 502 502 ARG H H 502 8.663 8.663 8.922 -0.259 25007 2414 1 5 . 1 1 503 503 PHE N N 503 121.105 121.105 123.928 -2.823 25007 2415 1 5 . 1 1 503 503 PHE HA H 503 5.281 5.281 5.387 -0.106 25007 2416 1 5 . 1 1 503 503 PHE C C 503 176.268 176.268 176.610 -0.342 25007 2417 1 5 . 1 1 503 503 PHE CA C 503 55.736 55.736 57.480 -1.744 25007 2418 1 5 . 1 1 503 503 PHE CB C 503 41.345 41.345 40.067 1.278 25007 2419 1 5 . 1 1 503 503 PHE H H 503 8.691 8.691 8.828 -0.137 25007 2420 1 5 . 1 1 504 504 LYS N N 504 121.191 121.191 124.751 -3.560 25007 2421 1 5 . 1 1 504 504 LYS HA H 504 4.892 4.892 4.845 0.047 25007 2422 1 5 . 1 1 504 504 LYS C C 504 174.929 174.929 175.132 -0.203 25007 2423 1 5 . 1 1 504 504 LYS CA C 504 55.269 55.269 54.736 0.533 25007 2424 1 5 . 1 1 504 504 LYS CB C 504 36.405 36.405 35.533 0.872 25007 2425 1 5 . 1 1 504 504 LYS H H 504 8.914 8.914 9.149 -0.235 25007 2426 1 5 . 1 1 505 505 LYS N N 505 126.575 126.575 123.758 2.817 25007 2427 1 5 . 1 1 505 505 LYS HA H 505 4.860 4.860 4.443 0.417 25007 2428 1 5 . 1 1 505 505 LYS C C 505 174.542 174.542 175.450 -0.908 25007 2429 1 5 . 1 1 505 505 LYS CA C 505 55.484 55.484 55.295 0.189 25007 2430 1 5 . 1 1 505 505 LYS CB C 505 34.831 34.831 34.461 0.370 25007 2431 1 5 . 1 1 505 505 LYS H H 505 8.822 8.822 8.742 0.080 25007 2432 1 5 . 1 1 506 506 ASP N N 506 125.932 125.932 127.706 -1.774 25007 2433 1 5 . 1 1 506 506 ASP HA H 506 4.814 4.814 4.889 -0.075 25007 2434 1 5 . 1 1 506 506 ASP C C 506 176.075 176.075 176.110 -0.035 25007 2435 1 5 . 1 1 506 506 ASP CA C 506 52.597 52.597 53.430 -0.833 25007 2436 1 5 . 1 1 506 506 ASP CB C 506 41.813 41.813 42.141 -0.328 25007 2437 1 5 . 1 1 506 506 ASP H H 506 8.911 8.911 8.875 0.036 25007 2438 1 5 . 1 1 507 507 GLY N N 507 114.443 114.443 112.991 1.452 25007 2439 1 5 . 1 1 507 507 GLY C C 507 175.318 175.318 175.173 0.145 25007 2440 1 5 . 1 1 507 507 GLY CA C 507 47.542 47.542 47.045 0.497 25007 2441 1 5 . 1 1 507 507 GLY H H 507 8.989 8.989 8.558 0.431 25007 2442 1 5 . 1 1 508 508 GLN N N 508 128.587 128.587 123.872 4.715 25007 2443 1 5 . 1 1 508 508 GLN HA H 508 4.546 4.546 4.535 0.011 25007 2444 1 5 . 1 1 508 508 GLN C C 508 174.087 174.087 176.112 -2.025 25007 2445 1 5 . 1 1 508 508 GLN CA C 508 57.107 57.107 56.023 1.084 25007 2446 1 5 . 1 1 508 508 GLN CB C 508 30.198 30.198 29.877 0.321 25007 2447 1 5 . 1 1 508 508 GLN H H 508 9.426 9.426 8.217 1.209 25007 2448 1 5 . 1 1 509 509 ARG N N 509 120.282 120.282 118.721 1.561 25007 2449 1 5 . 1 1 509 509 ARG HA H 509 4.971 4.971 5.197 -0.226 25007 2450 1 5 . 1 1 509 509 ARG C C 509 174.531 174.531 174.863 -0.332 25007 2451 1 5 . 1 1 509 509 ARG CA C 509 56.149 56.149 54.373 1.776 25007 2452 1 5 . 1 1 509 509 ARG CB C 509 31.984 31.984 32.753 -0.769 25007 2453 1 5 . 1 1 509 509 ARG H H 509 8.185 8.185 7.923 0.262 25007 2454 1 5 . 1 1 510 510 HIS N N 510 122.738 122.738 121.391 1.347 25007 2455 1 5 . 1 1 510 510 HIS HA H 510 5.128 5.128 5.530 -0.402 25007 2456 1 5 . 1 1 510 510 HIS C C 510 174.763 174.763 174.914 -0.151 25007 2457 1 5 . 1 1 510 510 HIS CA C 510 56.499 56.499 54.467 2.032 25007 2458 1 5 . 1 1 510 510 HIS CB C 510 35.219 35.219 33.347 1.872 25007 2459 1 5 . 1 1 510 510 HIS H H 510 8.766 8.766 9.182 -0.416 25007 2460 1 5 . 1 1 511 511 HIS N N 511 118.975 118.975 121.519 -2.544 25007 2461 1 5 . 1 1 511 511 HIS HA H 511 6.074 6.074 5.230 0.844 25007 2462 1 5 . 1 1 511 511 HIS C C 511 173.805 173.805 173.835 -0.030 25007 2463 1 5 . 1 1 511 511 HIS CA C 511 53.886 53.886 55.093 -1.207 25007 2464 1 5 . 1 1 511 511 HIS CB C 511 33.159 33.159 32.132 1.027 25007 2465 1 5 . 1 1 511 511 HIS H H 511 9.314 9.314 9.485 -0.171 25007 2466 1 5 . 1 1 512 512 LEU N N 512 125.887 125.887 127.953 -2.066 25007 2467 1 5 . 1 1 512 512 LEU HA H 512 4.382 4.382 4.369 0.013 25007 2468 1 5 . 1 1 512 512 LEU C C 512 174.018 174.018 174.482 -0.464 25007 2469 1 5 . 1 1 512 512 LEU CA C 512 54.038 54.038 53.595 0.443 25007 2470 1 5 . 1 1 512 512 LEU CB C 512 42.246 42.246 42.695 -0.449 25007 2471 1 5 . 1 1 512 512 LEU H H 512 8.403 8.403 8.911 -0.508 25007 2472 1 5 . 1 1 513 513 ILE N N 513 127.359 127.359 129.432 -2.073 25007 2473 1 5 . 1 1 513 513 ILE HA H 513 4.953 4.953 4.596 0.357 25007 2474 1 5 . 1 1 513 513 ILE C C 513 175.456 175.456 174.882 0.574 25007 2475 1 5 . 1 1 513 513 ILE CA C 513 59.184 59.184 60.009 -0.825 25007 2476 1 5 . 1 1 513 513 ILE CB C 513 40.899 40.899 39.287 1.612 25007 2477 1 5 . 1 1 513 513 ILE H H 513 8.885 8.885 8.744 0.141 25007 2478 1 5 . 1 1 514 514 ILE N N 514 126.969 126.969 129.554 -2.585 25007 2479 1 5 . 1 1 514 514 ILE HA H 514 4.391 4.391 4.599 -0.208 25007 2480 1 5 . 1 1 514 514 ILE C C 514 175.544 175.544 175.646 -0.102 25007 2481 1 5 . 1 1 514 514 ILE CA C 514 60.181 60.181 61.167 -0.986 25007 2482 1 5 . 1 1 514 514 ILE CB C 514 39.580 39.580 37.746 1.833 25007 2483 1 5 . 1 1 514 514 ILE H H 514 8.929 8.929 8.798 0.131 25007 2484 1 5 . 1 1 515 515 ASN N N 515 124.537 124.537 125.165 -0.628 25007 2485 1 5 . 1 1 515 515 ASN HA H 515 4.187 4.187 4.669 -0.482 25007 2486 1 5 . 1 1 515 515 ASN C C 515 174.955 174.955 175.652 -0.697 25007 2487 1 5 . 1 1 515 515 ASN CA C 515 57.082 57.082 56.118 0.964 25007 2488 1 5 . 1 1 515 515 ASN CB C 515 38.847 38.847 39.401 -0.554 25007 2489 1 5 . 1 1 515 515 ASN H H 515 8.112 8.112 8.776 -0.664 25007 2490 1 5 . 1 1 516 516 GLU N N 516 117.395 117.395 119.904 -2.509 25007 2491 1 5 . 1 1 516 516 GLU HA H 516 3.780 3.780 4.489 -0.709 25007 2492 1 5 . 1 1 516 516 GLU C C 516 173.992 173.992 174.412 -0.420 25007 2493 1 5 . 1 1 516 516 GLU CA C 516 55.067 55.067 55.065 0.002 25007 2494 1 5 . 1 1 516 516 GLU CB C 516 31.592 31.592 30.837 0.754 25007 2495 1 5 . 1 1 516 516 GLU H H 516 8.156 8.156 7.694 0.462 25007 2496 1 5 . 1 1 517 517 ALA N N 517 125.988 125.988 129.109 -3.121 25007 2497 1 5 . 1 1 517 517 ALA HA H 517 4.145 4.145 4.653 -0.508 25007 2498 1 5 . 1 1 517 517 ALA C C 517 177.314 177.314 176.274 1.040 25007 2499 1 5 . 1 1 517 517 ALA CA C 517 53.495 53.495 51.577 1.918 25007 2500 1 5 . 1 1 517 517 ALA CB C 517 18.842 18.842 19.971 -1.129 25007 2501 1 5 . 1 1 517 517 ALA H H 517 8.703 8.703 8.698 0.005 25007 2502 1 5 . 1 1 518 518 MET N N 518 123.199 123.199 122.027 1.172 25007 2503 1 5 . 1 1 518 518 MET HA H 518 4.845 4.845 4.741 0.104 25007 2504 1 5 . 1 1 518 518 MET C C 518 177.647 177.647 176.945 0.702 25007 2505 1 5 . 1 1 518 518 MET CA C 518 53.070 53.070 52.624 0.446 25007 2506 1 5 . 1 1 518 518 MET CB C 518 35.877 35.877 33.864 2.013 25007 2507 1 5 . 1 1 518 518 MET H H 518 9.802 9.802 8.881 0.921 25007 2508 1 5 . 1 1 519 519 LEU N N 519 123.266 123.266 122.596 0.670 25007 2509 1 5 . 1 1 519 519 LEU HA H 519 3.822 3.822 4.073 -0.251 25007 2510 1 5 . 1 1 519 519 LEU C C 519 180.760 180.760 179.508 1.252 25007 2511 1 5 . 1 1 519 519 LEU CA C 519 59.358 59.358 58.631 0.727 25007 2512 1 5 . 1 1 519 519 LEU CB C 519 40.910 40.910 40.577 0.333 25007 2513 1 5 . 1 1 519 519 LEU H H 519 9.097 9.097 8.552 0.545 25007 2514 1 5 . 1 1 520 520 GLU N N 520 115.379 115.379 118.240 -2.861 25007 2515 1 5 . 1 1 520 520 GLU HA H 520 4.243 4.243 4.193 0.050 25007 2516 1 5 . 1 1 520 520 GLU C C 520 176.447 176.447 177.852 -1.405 25007 2517 1 5 . 1 1 520 520 GLU CA C 520 58.255 58.255 58.574 -0.319 25007 2518 1 5 . 1 1 520 520 GLU CB C 520 28.497 28.497 29.249 -0.752 25007 2519 1 5 . 1 1 520 520 GLU H H 520 9.071 9.071 8.646 0.425 25007 2520 1 5 . 1 1 521 521 ASP N N 521 117.057 117.057 119.188 -2.131 25007 2521 1 5 . 1 1 521 521 ASP HA H 521 4.650 4.650 4.612 0.038 25007 2522 1 5 . 1 1 521 521 ASP C C 521 176.747 176.747 177.852 -1.105 25007 2523 1 5 . 1 1 521 521 ASP CA C 521 55.790 55.790 56.762 -0.972 25007 2524 1 5 . 1 1 521 521 ASP CB C 521 40.882 40.882 40.444 0.438 25007 2525 1 5 . 1 1 521 521 ASP H H 521 8.089 8.089 7.399 0.690 25007 2526 1 5 . 1 1 522 522 ALA N N 522 123.576 123.576 121.013 2.563 25007 2527 1 5 . 1 1 522 522 ALA HA H 522 4.138 4.138 4.008 0.130 25007 2528 1 5 . 1 1 522 522 ALA C C 522 176.493 176.493 177.459 -0.966 25007 2529 1 5 . 1 1 522 522 ALA CA C 522 53.668 53.668 53.551 0.117 25007 2530 1 5 . 1 1 522 522 ALA CB C 522 19.822 19.822 18.991 0.831 25007 2531 1 5 . 1 1 522 522 ALA H H 522 7.560 7.560 7.362 0.198 25007 2532 1 5 . 1 1 523 523 GLY N N 523 107.939 107.939 105.916 2.023 25007 2533 1 5 . 1 1 523 523 GLY C C 523 171.581 171.581 173.440 -1.859 25007 2534 1 5 . 1 1 523 523 GLY CA C 523 44.966 44.966 45.062 -0.096 25007 2535 1 5 . 1 1 523 523 GLY H H 523 8.486 8.486 7.828 0.658 25007 2536 1 5 . 1 1 524 524 HIS N N 524 119.624 119.624 119.535 0.089 25007 2537 1 5 . 1 1 524 524 HIS HA H 524 5.284 5.284 4.813 0.471 25007 2538 1 5 . 1 1 524 524 HIS C C 524 174.529 174.529 174.452 0.077 25007 2539 1 5 . 1 1 524 524 HIS CA C 524 55.966 55.966 54.768 1.198 25007 2540 1 5 . 1 1 524 524 HIS CB C 524 29.911 29.911 30.792 -0.881 25007 2541 1 5 . 1 1 524 524 HIS H H 524 9.138 9.138 9.089 0.049 25007 2542 1 5 . 1 1 525 525 TYR N N 525 127.402 127.402 125.334 2.068 25007 2543 1 5 . 1 1 525 525 TYR HA H 525 5.188 5.188 5.191 -0.003 25007 2544 1 5 . 1 1 525 525 TYR C C 525 173.765 173.765 174.767 -1.002 25007 2545 1 5 . 1 1 525 525 TYR CA C 525 57.235 57.235 56.014 1.221 25007 2546 1 5 . 1 1 525 525 TYR CB C 525 40.847 40.847 38.763 2.084 25007 2547 1 5 . 1 1 525 525 TYR H H 525 9.571 9.571 8.358 1.213 25007 2548 1 5 . 1 1 526 526 ALA N N 526 121.895 121.895 126.206 -4.311 25007 2549 1 5 . 1 1 526 526 ALA HA H 526 5.595 5.595 5.063 0.532 25007 2550 1 5 . 1 1 526 526 ALA C C 526 175.256 175.256 175.462 -0.206 25007 2551 1 5 . 1 1 526 526 ALA CA C 526 49.674 49.674 50.483 -0.809 25007 2552 1 5 . 1 1 526 526 ALA CB C 526 24.106 24.106 21.916 2.190 25007 2553 1 5 . 1 1 526 526 ALA H H 526 9.096 9.096 8.972 0.124 25007 2554 1 5 . 1 1 527 527 LEU N N 527 121.830 121.830 126.234 -4.404 25007 2555 1 5 . 1 1 527 527 LEU HA H 527 4.566 4.566 4.550 0.016 25007 2556 1 5 . 1 1 527 527 LEU C C 527 175.945 175.945 175.121 0.824 25007 2557 1 5 . 1 1 527 527 LEU CA C 527 52.867 52.867 53.769 -0.902 25007 2558 1 5 . 1 1 527 527 LEU CB C 527 42.946 42.946 43.683 -0.737 25007 2559 1 5 . 1 1 527 527 LEU H H 527 8.164 8.164 8.466 -0.302 25007 2560 1 5 . 1 1 528 528 CYS N N 528 122.905 122.905 127.918 -5.013 25007 2561 1 5 . 1 1 528 528 CYS HA H 528 4.983 4.983 4.787 0.196 25007 2562 1 5 . 1 1 528 528 CYS C C 528 174.337 174.337 174.173 0.164 25007 2563 1 5 . 1 1 528 528 CYS CA C 528 57.228 57.228 58.093 -0.865 25007 2564 1 5 . 1 1 528 528 CYS CB C 528 29.887 29.887 28.511 1.376 25007 2565 1 5 . 1 1 528 528 CYS H H 528 8.974 8.974 8.971 0.003 25007 2566 1 5 . 1 1 529 529 THR N N 529 116.293 116.293 119.958 -3.665 25007 2567 1 5 . 1 1 529 529 THR HA H 529 4.693 4.693 4.695 -0.002 25007 2568 1 5 . 1 1 529 529 THR C C 529 175.292 175.292 176.479 -1.187 25007 2569 1 5 . 1 1 529 529 THR CA C 529 59.531 59.531 59.874 -0.343 25007 2570 1 5 . 1 1 529 529 THR CB C 529 71.282 71.282 70.429 0.853 25007 2571 1 5 . 1 1 529 529 THR H H 529 8.660 8.660 8.610 0.050 25007 2572 1 5 . 1 1 530 530 SER N N 530 115.090 115.090 116.749 -1.659 25007 2573 1 5 . 1 1 530 530 SER HA H 530 4.255 4.255 4.139 0.116 25007 2574 1 5 . 1 1 530 530 SER C C 530 175.719 175.719 174.884 0.835 25007 2575 1 5 . 1 1 530 530 SER CA C 530 59.970 59.970 59.962 0.008 25007 2576 1 5 . 1 1 530 530 SER CB C 530 62.914 62.914 62.618 0.296 25007 2577 1 5 . 1 1 530 530 SER H H 530 9.373 9.373 8.892 0.481 25007 2578 1 5 . 1 1 531 531 GLY N N 531 108.629 108.629 106.982 1.647 25007 2579 1 5 . 1 1 531 531 GLY C C 531 173.708 173.708 173.478 0.230 25007 2580 1 5 . 1 1 531 531 GLY CA C 531 45.032 45.032 44.773 0.259 25007 2581 1 5 . 1 1 531 531 GLY H H 531 8.145 8.145 7.417 0.728 25007 2582 1 5 . 1 1 532 532 GLY N N 532 109.085 109.085 106.493 2.592 25007 2583 1 5 . 1 1 532 532 GLY C C 532 170.571 170.571 172.488 -1.917 25007 2584 1 5 . 1 1 532 532 GLY CA C 532 45.443 45.443 43.815 1.629 25007 2585 1 5 . 1 1 532 532 GLY H H 532 7.518 7.518 7.871 -0.353 25007 2586 1 5 . 1 1 533 533 GLN N N 533 116.769 116.769 123.038 -6.269 25007 2587 1 5 . 1 1 533 533 GLN HA H 533 5.329 5.329 5.287 0.042 25007 2588 1 5 . 1 1 533 533 GLN C C 533 174.087 174.087 174.371 -0.284 25007 2589 1 5 . 1 1 533 533 GLN CA C 533 54.453 54.453 54.572 -0.119 25007 2590 1 5 . 1 1 533 533 GLN CB C 533 32.474 32.474 32.260 0.214 25007 2591 1 5 . 1 1 533 533 GLN H H 533 8.302 8.302 8.353 -0.051 25007 2592 1 5 . 1 1 534 534 ALA N N 534 126.978 126.978 129.062 -2.084 25007 2593 1 5 . 1 1 534 534 ALA HA H 534 4.845 4.845 4.724 0.121 25007 2594 1 5 . 1 1 534 534 ALA C C 534 174.509 174.509 174.951 -0.442 25007 2595 1 5 . 1 1 534 534 ALA CA C 534 50.792 50.792 50.570 0.222 25007 2596 1 5 . 1 1 534 534 ALA CB C 534 22.023 22.023 21.955 0.068 25007 2597 1 5 . 1 1 534 534 ALA H H 534 8.863 8.863 8.477 0.386 25007 2598 1 5 . 1 1 535 535 LEU N N 535 122.725 122.725 123.831 -1.106 25007 2599 1 5 . 1 1 535 535 LEU HA H 535 5.386 5.386 4.916 0.470 25007 2600 1 5 . 1 1 535 535 LEU C C 535 176.477 176.477 175.479 0.998 25007 2601 1 5 . 1 1 535 535 LEU CA C 535 54.253 54.253 54.071 0.182 25007 2602 1 5 . 1 1 535 535 LEU CB C 535 46.315 46.315 44.754 1.561 25007 2603 1 5 . 1 1 535 535 LEU H H 535 8.438 8.438 8.607 -0.169 25007 2604 1 5 . 1 1 536 536 ALA N N 536 125.405 125.405 128.891 -3.486 25007 2605 1 5 . 1 1 536 536 ALA HA H 536 4.740 4.740 4.742 -0.002 25007 2606 1 5 . 1 1 536 536 ALA C C 536 174.310 174.310 175.959 -1.649 25007 2607 1 5 . 1 1 536 536 ALA CA C 536 51.928 51.928 50.623 1.305 25007 2608 1 5 . 1 1 536 536 ALA CB C 536 24.477 24.477 22.058 2.419 25007 2609 1 5 . 1 1 536 536 ALA H H 536 9.336 9.336 8.793 0.543 25007 2610 1 5 . 1 1 537 537 GLU N N 537 121.895 121.895 121.183 0.712 25007 2611 1 5 . 1 1 537 537 GLU HA H 537 4.919 4.919 4.562 0.357 25007 2612 1 5 . 1 1 537 537 GLU C C 537 174.790 174.790 174.887 -0.097 25007 2613 1 5 . 1 1 537 537 GLU CA C 537 54.758 54.758 55.875 -1.117 25007 2614 1 5 . 1 1 537 537 GLU CB C 537 32.505 32.505 31.367 1.138 25007 2615 1 5 . 1 1 537 537 GLU H H 537 9.296 9.296 8.826 0.470 25007 2616 1 5 . 1 1 538 538 LEU N N 538 125.064 125.064 126.674 -1.610 25007 2617 1 5 . 1 1 538 538 LEU HA H 538 5.365 5.365 4.782 0.583 25007 2618 1 5 . 1 1 538 538 LEU C C 538 175.931 175.931 174.918 1.013 25007 2619 1 5 . 1 1 538 538 LEU CA C 538 53.389 53.389 54.362 -0.973 25007 2620 1 5 . 1 1 538 538 LEU CB C 538 45.315 45.315 44.699 0.616 25007 2621 1 5 . 1 1 538 538 LEU H H 538 9.274 9.274 8.374 0.900 25007 2622 1 5 . 1 1 539 539 ILE N N 539 130.885 130.885 126.216 4.669 25007 2623 1 5 . 1 1 539 539 ILE HA H 539 4.282 4.282 4.219 0.063 25007 2624 1 5 . 1 1 539 539 ILE C C 539 173.958 173.958 174.303 -0.345 25007 2625 1 5 . 1 1 539 539 ILE CA C 539 61.171 61.171 59.949 1.222 25007 2626 1 5 . 1 1 539 539 ILE CB C 539 39.901 39.901 39.746 0.155 25007 2627 1 5 . 1 1 539 539 ILE H H 539 8.867 8.867 8.309 0.558 25007 2628 1 5 . 1 1 540 540 VAL N N 540 125.478 125.478 126.820 -1.342 25007 2629 1 5 . 1 1 540 540 VAL HA H 540 4.770 4.770 4.602 0.168 25007 2630 1 5 . 1 1 540 540 VAL C C 540 174.948 174.948 175.782 -0.834 25007 2631 1 5 . 1 1 540 540 VAL CA C 540 60.316 60.316 60.959 -0.643 25007 2632 1 5 . 1 1 540 540 VAL CB C 540 33.691 33.691 32.389 1.302 25007 2633 1 5 . 1 1 540 540 VAL H H 540 7.880 7.880 8.508 -0.628 25007 2634 1 5 . 1 1 541 541 GLN N N 541 126.082 126.082 126.999 -0.917 25007 2635 1 5 . 1 1 541 541 GLN HA H 541 4.618 4.618 4.671 -0.053 25007 2636 1 5 . 1 1 541 541 GLN C C 541 174.952 174.952 174.518 0.434 25007 2637 1 5 . 1 1 541 541 GLN CA C 541 54.372 54.372 54.083 0.289 25007 2638 1 5 . 1 1 541 541 GLN CB C 541 31.571 31.571 32.265 -0.694 25007 2639 1 5 . 1 1 541 541 GLN H H 541 9.066 9.066 8.061 1.005 25007 2640 1 5 . 1 1 542 542 GLU N N 542 122.178 122.178 123.773 -1.595 25007 2641 1 5 . 1 1 542 542 GLU HA H 542 4.312 4.312 4.419 -0.107 25007 2642 1 5 . 1 1 542 542 GLU C C 542 175.419 175.419 175.212 0.207 25007 2643 1 5 . 1 1 542 542 GLU CA C 542 57.108 57.108 56.663 0.445 25007 2644 1 5 . 1 1 542 542 GLU CB C 542 31.266 31.266 29.647 1.619 25007 2645 1 5 . 1 1 542 542 GLU H H 542 8.742 8.742 8.656 0.086 25007 2646 1 6 . 1 1 451 451 HIS HA H 451 4.656 4.656 4.697 -0.041 25007 2647 1 6 . 1 1 451 451 HIS C C 451 174.793 174.793 174.319 0.474 25007 2648 1 6 . 1 1 451 451 HIS CA C 451 55.947 55.947 55.081 0.866 25007 2649 1 6 . 1 1 451 451 HIS CB C 451 29.903 29.903 29.365 0.538 25007 2650 1 6 . 1 1 452 452 MET N N 452 123.193 123.193 123.980 -0.787 25007 2651 1 6 . 1 1 452 452 MET C C 452 173.991 173.991 173.896 0.095 25007 2652 1 6 . 1 1 452 452 MET CA C 452 53.192 53.192 52.426 0.766 25007 2653 1 6 . 1 1 452 452 MET CB C 452 31.977 31.977 33.057 -1.081 25007 2654 1 6 . 1 1 452 452 MET H H 452 8.342 8.342 7.920 0.422 25007 2655 1 6 . 1 1 453 453 PRO HA H 453 4.293 4.293 4.735 -0.442 25007 2656 1 6 . 1 1 453 453 PRO C C 453 175.733 175.733 176.243 -0.510 25007 2657 1 6 . 1 1 453 453 PRO CA C 453 62.734 62.734 62.003 0.731 25007 2658 1 6 . 1 1 453 453 PRO CB C 453 32.139 32.139 32.498 -0.359 25007 2659 1 6 . 1 1 454 454 VAL N N 454 122.227 122.227 123.386 -1.159 25007 2660 1 6 . 1 1 454 454 VAL HA H 454 3.732 3.732 3.954 -0.222 25007 2661 1 6 . 1 1 454 454 VAL C C 454 175.296 175.296 175.202 0.094 25007 2662 1 6 . 1 1 454 454 VAL CA C 454 63.126 63.126 62.055 1.071 25007 2663 1 6 . 1 1 454 454 VAL CB C 454 32.085 32.085 31.781 0.304 25007 2664 1 6 . 1 1 454 454 VAL H H 454 7.799 7.799 8.495 -0.696 25007 2665 1 6 . 1 1 455 455 LEU N N 455 129.419 129.419 129.433 -0.014 25007 2666 1 6 . 1 1 455 455 LEU HA H 455 4.435 4.435 4.540 -0.105 25007 2667 1 6 . 1 1 455 455 LEU C C 455 176.294 176.294 175.579 0.715 25007 2668 1 6 . 1 1 455 455 LEU CA C 455 52.797 52.797 54.206 -1.409 25007 2669 1 6 . 1 1 455 455 LEU CB C 455 43.631 43.631 43.770 -0.140 25007 2670 1 6 . 1 1 455 455 LEU H H 455 8.571 8.571 8.282 0.289 25007 2671 1 6 . 1 1 456 456 ILE N N 456 120.867 120.867 126.496 -5.629 25007 2672 1 6 . 1 1 456 456 ILE HA H 456 4.229 4.229 4.242 -0.013 25007 2673 1 6 . 1 1 456 456 ILE C C 456 176.619 176.619 176.346 0.273 25007 2674 1 6 . 1 1 456 456 ILE CA C 456 60.780 60.780 61.673 -0.893 25007 2675 1 6 . 1 1 456 456 ILE CB C 456 36.796 36.796 36.628 0.168 25007 2676 1 6 . 1 1 456 456 ILE H H 456 8.507 8.507 8.607 -0.100 25007 2677 1 6 . 1 1 457 457 THR N N 457 120.915 120.915 120.747 0.168 25007 2678 1 6 . 1 1 457 457 THR HA H 457 4.285 4.285 4.161 0.124 25007 2679 1 6 . 1 1 457 457 THR C C 457 175.963 175.963 174.902 1.061 25007 2680 1 6 . 1 1 457 457 THR CA C 457 62.753 62.753 63.891 -1.138 25007 2681 1 6 . 1 1 457 457 THR CB C 457 67.879 67.879 69.331 -1.452 25007 2682 1 6 . 1 1 457 457 THR H H 457 8.657 8.657 8.052 0.605 25007 2683 1 6 . 1 1 458 458 ARG N N 458 122.699 122.699 123.561 -0.862 25007 2684 1 6 . 1 1 458 458 ARG HA H 458 4.923 4.923 4.783 0.140 25007 2685 1 6 . 1 1 458 458 ARG C C 458 173.213 173.213 174.436 -1.223 25007 2686 1 6 . 1 1 458 458 ARG CA C 458 53.918 53.918 52.682 1.236 25007 2687 1 6 . 1 1 458 458 ARG CB C 458 32.559 32.559 31.423 1.136 25007 2688 1 6 . 1 1 458 458 ARG H H 458 7.552 7.552 7.796 -0.244 25007 2689 1 6 . 1 1 459 459 PRO HA H 459 4.298 4.298 4.453 -0.155 25007 2690 1 6 . 1 1 459 459 PRO C C 459 175.741 175.741 176.230 -0.489 25007 2691 1 6 . 1 1 459 459 PRO CA C 459 62.575 62.575 62.477 0.098 25007 2692 1 6 . 1 1 459 459 PRO CB C 459 32.551 32.551 32.563 -0.012 25007 2693 1 6 . 1 1 460 460 LEU N N 460 115.474 115.474 120.731 -5.257 25007 2694 1 6 . 1 1 460 460 LEU HA H 460 4.563 4.563 4.665 -0.102 25007 2695 1 6 . 1 1 460 460 LEU C C 460 176.142 176.142 178.119 -1.977 25007 2696 1 6 . 1 1 460 460 LEU CA C 460 55.013 55.013 54.222 0.791 25007 2697 1 6 . 1 1 460 460 LEU CB C 460 45.292 45.292 42.228 3.063 25007 2698 1 6 . 1 1 460 460 LEU H H 460 6.157 6.157 8.504 -2.347 25007 2699 1 6 . 1 1 461 461 GLU N N 461 120.613 120.613 119.895 0.718 25007 2700 1 6 . 1 1 461 461 GLU HA H 461 4.795 4.795 4.306 0.489 25007 2701 1 6 . 1 1 461 461 GLU C C 461 175.540 175.540 176.081 -0.541 25007 2702 1 6 . 1 1 461 461 GLU CA C 461 54.657 54.657 56.706 -2.050 25007 2703 1 6 . 1 1 461 461 GLU CB C 461 32.600 32.600 30.349 2.251 25007 2704 1 6 . 1 1 461 461 GLU H H 461 8.387 8.387 8.772 -0.385 25007 2705 1 6 . 1 1 462 462 ASP N N 462 122.579 122.579 122.375 0.204 25007 2706 1 6 . 1 1 462 462 ASP HA H 462 5.031 5.031 4.681 0.350 25007 2707 1 6 . 1 1 462 462 ASP C C 462 176.359 176.359 175.510 0.849 25007 2708 1 6 . 1 1 462 462 ASP CA C 462 55.433 55.433 54.234 1.198 25007 2709 1 6 . 1 1 462 462 ASP CB C 462 41.069 41.069 40.993 0.076 25007 2710 1 6 . 1 1 462 462 ASP H H 462 8.599 8.599 8.557 0.042 25007 2711 1 6 . 1 1 463 463 GLN N N 463 117.028 117.028 117.106 -0.078 25007 2712 1 6 . 1 1 463 463 GLN HA H 463 4.667 4.667 4.457 0.210 25007 2713 1 6 . 1 1 463 463 GLN C C 463 173.563 173.563 174.274 -0.711 25007 2714 1 6 . 1 1 463 463 GLN CA C 463 54.227 54.227 54.913 -0.686 25007 2715 1 6 . 1 1 463 463 GLN CB C 463 33.204 33.204 30.620 2.584 25007 2716 1 6 . 1 1 463 463 GLN H H 463 8.755 8.755 7.667 1.088 25007 2717 1 6 . 1 1 464 464 LEU N N 464 127.581 127.581 118.137 9.444 25007 2718 1 6 . 1 1 464 464 LEU HA H 464 5.307 5.307 4.838 0.469 25007 2719 1 6 . 1 1 464 464 LEU C C 464 175.838 175.838 175.746 0.092 25007 2720 1 6 . 1 1 464 464 LEU CA C 464 54.667 54.667 53.994 0.673 25007 2721 1 6 . 1 1 464 464 LEU CB C 464 44.018 44.018 43.227 0.791 25007 2722 1 6 . 1 1 464 464 LEU H H 464 8.415 8.415 8.309 0.106 25007 2723 1 6 . 1 1 465 465 VAL N N 465 119.279 119.279 117.619 1.660 25007 2724 1 6 . 1 1 465 465 VAL HA H 465 4.774 4.774 4.501 0.273 25007 2725 1 6 . 1 1 465 465 VAL C C 465 173.711 173.711 174.239 -0.528 25007 2726 1 6 . 1 1 465 465 VAL CA C 465 58.517 58.517 60.108 -1.591 25007 2727 1 6 . 1 1 465 465 VAL CB C 465 36.110 36.110 34.951 1.159 25007 2728 1 6 . 1 1 465 465 VAL H H 465 8.695 8.695 8.007 0.688 25007 2729 1 6 . 1 1 466 466 MET N N 466 119.214 119.214 118.001 1.213 25007 2730 1 6 . 1 1 466 466 MET HA H 466 5.247 5.247 4.806 0.441 25007 2731 1 6 . 1 1 466 466 MET C C 466 176.491 176.491 176.077 0.414 25007 2732 1 6 . 1 1 466 466 MET CA C 466 52.783 52.783 53.983 -1.200 25007 2733 1 6 . 1 1 466 466 MET CB C 466 33.609 33.609 35.810 -2.201 25007 2734 1 6 . 1 1 466 466 MET H H 466 8.073 8.073 8.166 -0.093 25007 2735 1 6 . 1 1 467 467 VAL N N 467 119.566 119.566 120.808 -1.242 25007 2736 1 6 . 1 1 467 467 VAL HA H 467 3.420 3.420 3.839 -0.419 25007 2737 1 6 . 1 1 467 467 VAL C C 467 176.899 176.899 177.508 -0.609 25007 2738 1 6 . 1 1 467 467 VAL CA C 467 64.475 64.475 64.092 0.383 25007 2739 1 6 . 1 1 467 467 VAL CB C 467 32.180 32.180 30.596 1.584 25007 2740 1 6 . 1 1 467 467 VAL H H 467 7.891 7.891 8.313 -0.422 25007 2741 1 6 . 1 1 468 468 GLY N N 468 115.391 115.391 116.142 -0.751 25007 2742 1 6 . 1 1 468 468 GLY C C 468 174.446 174.446 173.512 0.934 25007 2743 1 6 . 1 1 468 468 GLY CA C 468 44.690 44.690 44.765 -0.075 25007 2744 1 6 . 1 1 468 468 GLY H H 468 9.784 9.784 8.707 1.077 25007 2745 1 6 . 1 1 469 469 GLN N N 469 120.312 120.312 121.171 -0.859 25007 2746 1 6 . 1 1 469 469 GLN HA H 469 4.396 4.396 4.518 -0.122 25007 2747 1 6 . 1 1 469 469 GLN C C 469 174.534 174.534 174.925 -0.391 25007 2748 1 6 . 1 1 469 469 GLN CA C 469 55.882 55.882 54.648 1.234 25007 2749 1 6 . 1 1 469 469 GLN CB C 469 30.330 30.330 31.065 -0.735 25007 2750 1 6 . 1 1 469 469 GLN H H 469 7.948 7.948 8.019 -0.071 25007 2751 1 6 . 1 1 470 470 ARG N N 470 122.876 122.876 123.895 -1.019 25007 2752 1 6 . 1 1 470 470 ARG HA H 470 4.559 4.559 5.155 -0.596 25007 2753 1 6 . 1 1 470 470 ARG C C 470 175.944 175.944 175.241 0.703 25007 2754 1 6 . 1 1 470 470 ARG CA C 470 55.425 55.425 55.107 0.318 25007 2755 1 6 . 1 1 470 470 ARG CB C 470 31.418 31.418 31.155 0.263 25007 2756 1 6 . 1 1 470 470 ARG H H 470 8.133 8.133 8.453 -0.320 25007 2757 1 6 . 1 1 471 471 VAL N N 471 126.868 126.868 122.715 4.153 25007 2758 1 6 . 1 1 471 471 VAL HA H 471 4.125 4.125 4.268 -0.143 25007 2759 1 6 . 1 1 471 471 VAL C C 471 173.258 173.258 173.770 -0.512 25007 2760 1 6 . 1 1 471 471 VAL CA C 471 60.324 60.324 59.776 0.548 25007 2761 1 6 . 1 1 471 471 VAL CB C 471 34.719 34.719 34.778 -0.059 25007 2762 1 6 . 1 1 471 471 VAL H H 471 8.809 8.809 8.613 0.196 25007 2763 1 6 . 1 1 472 472 GLU N N 472 126.535 126.535 128.515 -1.980 25007 2764 1 6 . 1 1 472 472 GLU HA H 472 5.064 5.064 4.968 0.096 25007 2765 1 6 . 1 1 472 472 GLU C C 472 175.149 175.149 175.146 0.003 25007 2766 1 6 . 1 1 472 472 GLU CA C 472 54.581 54.581 54.001 0.580 25007 2767 1 6 . 1 1 472 472 GLU CB C 472 32.264 32.264 32.319 -0.056 25007 2768 1 6 . 1 1 472 472 GLU H H 472 8.650 8.650 8.460 0.190 25007 2769 1 6 . 1 1 473 473 PHE N N 473 125.481 125.481 126.011 -0.530 25007 2770 1 6 . 1 1 473 473 PHE HA H 473 4.731 4.731 4.705 0.026 25007 2771 1 6 . 1 1 473 473 PHE C C 473 175.039 175.039 174.767 0.272 25007 2772 1 6 . 1 1 473 473 PHE CA C 473 57.568 57.568 57.176 0.392 25007 2773 1 6 . 1 1 473 473 PHE CB C 473 41.957 41.957 40.297 1.660 25007 2774 1 6 . 1 1 473 473 PHE H H 473 9.269 9.269 9.101 0.168 25007 2775 1 6 . 1 1 474 474 GLU N N 474 120.740 120.740 124.958 -4.218 25007 2776 1 6 . 1 1 474 474 GLU HA H 474 5.345 5.345 4.770 0.575 25007 2777 1 6 . 1 1 474 474 GLU C C 474 174.352 174.352 175.585 -1.233 25007 2778 1 6 . 1 1 474 474 GLU CA C 474 54.701 54.701 54.385 0.316 25007 2779 1 6 . 1 1 474 474 GLU CB C 474 33.357 33.357 32.828 0.529 25007 2780 1 6 . 1 1 474 474 GLU H H 474 8.464 8.464 9.343 -0.879 25007 2781 1 6 . 1 1 475 475 CYS N N 475 121.489 121.489 120.919 0.570 25007 2782 1 6 . 1 1 475 475 CYS HA H 475 4.808 4.808 5.004 -0.196 25007 2783 1 6 . 1 1 475 475 CYS C C 475 172.098 172.098 173.164 -1.066 25007 2784 1 6 . 1 1 475 475 CYS CA C 475 56.609 56.609 56.193 0.416 25007 2785 1 6 . 1 1 475 475 CYS CB C 475 30.959 30.959 31.487 -0.528 25007 2786 1 6 . 1 1 475 475 CYS H H 475 8.975 8.975 8.353 0.622 25007 2787 1 6 . 1 1 476 476 GLU N N 476 123.429 123.429 121.438 1.991 25007 2788 1 6 . 1 1 476 476 GLU HA H 476 5.508 5.508 5.311 0.197 25007 2789 1 6 . 1 1 476 476 GLU C C 476 175.188 175.188 176.103 -0.915 25007 2790 1 6 . 1 1 476 476 GLU CA C 476 55.034 55.034 54.905 0.129 25007 2791 1 6 . 1 1 476 476 GLU CB C 476 34.226 34.226 33.091 1.135 25007 2792 1 6 . 1 1 476 476 GLU H H 476 8.550 8.550 8.275 0.275 25007 2793 1 6 . 1 1 477 477 VAL N N 477 116.564 116.564 118.860 -2.296 25007 2794 1 6 . 1 1 477 477 VAL HA H 477 5.411 5.411 4.822 0.589 25007 2795 1 6 . 1 1 477 477 VAL C C 477 177.337 177.337 175.186 2.151 25007 2796 1 6 . 1 1 477 477 VAL CA C 477 58.807 58.807 59.240 -0.433 25007 2797 1 6 . 1 1 477 477 VAL CB C 477 33.847 33.847 34.180 -0.333 25007 2798 1 6 . 1 1 477 477 VAL H H 477 8.713 8.713 8.692 0.021 25007 2799 1 6 . 1 1 478 478 SER N N 478 111.232 111.232 116.169 -4.937 25007 2800 1 6 . 1 1 478 478 SER HA H 478 4.040 4.040 4.161 -0.121 25007 2801 1 6 . 1 1 478 478 SER C C 478 173.819 173.819 174.788 -0.969 25007 2802 1 6 . 1 1 478 478 SER CA C 478 61.120 61.120 61.152 -0.032 25007 2803 1 6 . 1 1 478 478 SER CB C 478 63.537 63.537 63.729 -0.192 25007 2804 1 6 . 1 1 478 478 SER H H 478 8.756 8.756 8.114 0.642 25007 2805 1 6 . 1 1 479 479 GLU N N 479 116.963 116.963 119.235 -2.272 25007 2806 1 6 . 1 1 479 479 GLU HA H 479 4.846 4.846 4.439 0.407 25007 2807 1 6 . 1 1 479 479 GLU C C 479 175.936 175.936 175.507 0.429 25007 2808 1 6 . 1 1 479 479 GLU CA C 479 54.505 54.505 54.721 -0.216 25007 2809 1 6 . 1 1 479 479 GLU CB C 479 33.938 33.938 31.583 2.355 25007 2810 1 6 . 1 1 479 479 GLU H H 479 6.771 6.771 7.848 -1.077 25007 2811 1 6 . 1 1 480 480 GLU N N 480 124.445 124.445 125.421 -0.976 25007 2812 1 6 . 1 1 480 480 GLU HA H 480 4.402 4.402 4.336 0.066 25007 2813 1 6 . 1 1 480 480 GLU C C 480 176.539 176.539 177.003 -0.464 25007 2814 1 6 . 1 1 480 480 GLU CA C 480 57.860 57.860 56.818 1.042 25007 2815 1 6 . 1 1 480 480 GLU CB C 480 30.072 30.072 29.119 0.953 25007 2816 1 6 . 1 1 480 480 GLU H H 480 9.224 9.224 8.741 0.483 25007 2817 1 6 . 1 1 481 481 GLY C C 481 174.358 174.358 174.350 0.008 25007 2818 1 6 . 1 1 481 481 GLY CA C 481 45.799 45.799 45.720 0.079 25007 2819 1 6 . 1 1 482 482 ALA N N 482 121.272 121.272 121.903 -0.631 25007 2820 1 6 . 1 1 482 482 ALA HA H 482 4.369 4.369 4.281 0.088 25007 2821 1 6 . 1 1 482 482 ALA C C 482 177.182 177.182 176.738 0.444 25007 2822 1 6 . 1 1 482 482 ALA CA C 482 52.389 52.389 52.632 -0.243 25007 2823 1 6 . 1 1 482 482 ALA CB C 482 20.558 20.558 19.757 0.801 25007 2824 1 6 . 1 1 482 482 ALA H H 482 7.407 7.407 7.418 -0.011 25007 2825 1 6 . 1 1 483 483 GLN N N 483 121.348 121.348 121.131 0.217 25007 2826 1 6 . 1 1 483 483 GLN HA H 483 4.434 4.434 4.240 0.194 25007 2827 1 6 . 1 1 483 483 GLN C C 483 175.702 175.702 174.623 1.079 25007 2828 1 6 . 1 1 483 483 GLN CA C 483 55.355 55.355 55.661 -0.306 25007 2829 1 6 . 1 1 483 483 GLN CB C 483 28.785 28.785 27.541 1.244 25007 2830 1 6 . 1 1 483 483 GLN H H 483 8.508 8.508 8.460 0.048 25007 2831 1 6 . 1 1 484 484 VAL N N 484 118.367 118.367 117.750 0.617 25007 2832 1 6 . 1 1 484 484 VAL HA H 484 4.907 4.907 4.520 0.387 25007 2833 1 6 . 1 1 484 484 VAL C C 484 174.865 174.865 174.612 0.253 25007 2834 1 6 . 1 1 484 484 VAL CA C 484 58.403 58.403 59.146 -0.743 25007 2835 1 6 . 1 1 484 484 VAL CB C 484 34.477 34.477 34.057 0.420 25007 2836 1 6 . 1 1 484 484 VAL H H 484 8.269 8.269 8.076 0.193 25007 2837 1 6 . 1 1 485 485 LYS N N 485 119.929 119.929 123.167 -3.238 25007 2838 1 6 . 1 1 485 485 LYS HA H 485 4.586 4.586 4.632 -0.046 25007 2839 1 6 . 1 1 485 485 LYS C C 485 173.947 173.947 174.769 -0.822 25007 2840 1 6 . 1 1 485 485 LYS CA C 485 54.986 54.986 54.882 0.104 25007 2841 1 6 . 1 1 485 485 LYS CB C 485 36.634 36.634 36.103 0.531 25007 2842 1 6 . 1 1 485 485 LYS H H 485 8.013 8.013 8.567 -0.554 25007 2843 1 6 . 1 1 486 486 TRP N N 486 123.614 123.614 124.301 -0.687 25007 2844 1 6 . 1 1 486 486 TRP HA H 486 5.602 5.602 5.034 0.568 25007 2845 1 6 . 1 1 486 486 TRP C C 486 175.998 175.998 175.640 0.358 25007 2846 1 6 . 1 1 486 486 TRP CA C 486 55.808 55.808 56.800 -0.992 25007 2847 1 6 . 1 1 486 486 TRP CB C 486 32.003 32.003 30.792 1.211 25007 2848 1 6 . 1 1 486 486 TRP H H 486 8.776 8.776 8.777 -0.001 25007 2849 1 6 . 1 1 487 487 LEU N N 487 121.275 121.275 123.281 -2.006 25007 2850 1 6 . 1 1 487 487 LEU HA H 487 5.181 5.181 5.201 -0.020 25007 2851 1 6 . 1 1 487 487 LEU C C 487 175.805 175.805 175.098 0.707 25007 2852 1 6 . 1 1 487 487 LEU CA C 487 53.541 53.541 53.834 -0.293 25007 2853 1 6 . 1 1 487 487 LEU CB C 487 46.105 46.105 46.918 -0.813 25007 2854 1 6 . 1 1 487 487 LEU H H 487 9.581 9.581 9.257 0.324 25007 2855 1 6 . 1 1 488 488 LYS N N 488 119.146 119.146 120.713 -1.567 25007 2856 1 6 . 1 1 488 488 LYS HA H 488 4.439 4.439 4.717 -0.278 25007 2857 1 6 . 1 1 488 488 LYS C C 488 176.682 176.682 175.631 1.051 25007 2858 1 6 . 1 1 488 488 LYS CA C 488 55.102 55.102 55.261 -0.159 25007 2859 1 6 . 1 1 488 488 LYS CB C 488 35.535 35.535 34.525 1.010 25007 2860 1 6 . 1 1 488 488 LYS H H 488 8.681 8.681 8.870 -0.189 25007 2861 1 6 . 1 1 489 489 ASP N N 489 130.284 130.284 128.297 1.987 25007 2862 1 6 . 1 1 489 489 ASP HA H 489 4.361 4.361 4.299 0.062 25007 2863 1 6 . 1 1 489 489 ASP C C 489 176.145 176.145 176.412 -0.267 25007 2864 1 6 . 1 1 489 489 ASP CA C 489 55.968 55.968 55.851 0.117 25007 2865 1 6 . 1 1 489 489 ASP CB C 489 40.051 40.051 40.060 -0.009 25007 2866 1 6 . 1 1 489 489 ASP H H 489 9.860 9.860 9.361 0.499 25007 2867 1 6 . 1 1 490 490 GLY N N 490 101.712 101.712 103.593 -1.881 25007 2868 1 6 . 1 1 490 490 GLY C C 490 173.542 173.542 174.309 -0.767 25007 2869 1 6 . 1 1 490 490 GLY CA C 490 45.240 45.240 45.357 -0.117 25007 2870 1 6 . 1 1 490 490 GLY H H 490 8.668 8.668 8.667 0.001 25007 2871 1 6 . 1 1 491 491 VAL N N 491 123.365 123.365 122.525 0.840 25007 2872 1 6 . 1 1 491 491 VAL HA H 491 4.168 4.168 4.025 0.143 25007 2873 1 6 . 1 1 491 491 VAL C C 491 175.179 175.179 175.317 -0.138 25007 2874 1 6 . 1 1 491 491 VAL CA C 491 61.629 61.629 61.921 -0.292 25007 2875 1 6 . 1 1 491 491 VAL CB C 491 33.515 33.515 32.551 0.964 25007 2876 1 6 . 1 1 491 491 VAL H H 491 7.917 7.917 7.574 0.343 25007 2877 1 6 . 1 1 492 492 GLU N N 492 127.979 127.979 127.890 0.089 25007 2878 1 6 . 1 1 492 492 GLU HA H 492 4.395 4.395 4.192 0.203 25007 2879 1 6 . 1 1 492 492 GLU C C 492 176.695 176.695 175.948 0.747 25007 2880 1 6 . 1 1 492 492 GLU CA C 492 57.585 57.585 56.590 0.995 25007 2881 1 6 . 1 1 492 492 GLU CB C 492 29.870 29.870 30.379 -0.509 25007 2882 1 6 . 1 1 492 492 GLU H H 492 8.759 8.759 8.707 0.052 25007 2883 1 6 . 1 1 493 493 LEU N N 493 127.568 127.568 128.843 -1.275 25007 2884 1 6 . 1 1 493 493 LEU HA H 493 4.539 4.539 4.481 0.058 25007 2885 1 6 . 1 1 493 493 LEU C C 493 176.807 176.807 176.993 -0.186 25007 2886 1 6 . 1 1 493 493 LEU CA C 493 54.305 54.305 54.499 -0.194 25007 2887 1 6 . 1 1 493 493 LEU CB C 493 41.768 41.768 42.062 -0.294 25007 2888 1 6 . 1 1 493 493 LEU H H 493 8.884 8.884 8.156 0.728 25007 2889 1 6 . 1 1 494 494 THR N N 494 115.006 115.006 118.883 -3.877 25007 2890 1 6 . 1 1 494 494 THR HA H 494 4.462 4.462 4.319 0.143 25007 2891 1 6 . 1 1 494 494 THR C C 494 174.638 174.638 174.965 -0.327 25007 2892 1 6 . 1 1 494 494 THR CA C 494 61.263 61.263 62.722 -1.459 25007 2893 1 6 . 1 1 494 494 THR CB C 494 70.112 70.112 70.168 -0.056 25007 2894 1 6 . 1 1 494 494 THR H H 494 8.315 8.315 8.516 -0.201 25007 2895 1 6 . 1 1 495 495 ARG N N 495 121.376 121.376 124.893 -3.517 25007 2896 1 6 . 1 1 495 495 ARG HA H 495 4.236 4.236 4.669 -0.433 25007 2897 1 6 . 1 1 495 495 ARG C C 495 176.661 176.661 176.480 0.181 25007 2898 1 6 . 1 1 495 495 ARG CA C 495 56.528 56.528 55.029 1.499 25007 2899 1 6 . 1 1 495 495 ARG CB C 495 29.747 29.747 29.470 0.277 25007 2900 1 6 . 1 1 495 495 ARG H H 495 8.442 8.442 8.559 -0.117 25007 2901 1 6 . 1 1 496 496 GLU N N 496 120.213 120.213 121.887 -1.674 25007 2902 1 6 . 1 1 496 496 GLU HA H 496 4.300 4.300 4.302 -0.002 25007 2903 1 6 . 1 1 496 496 GLU C C 496 176.615 176.615 176.757 -0.142 25007 2904 1 6 . 1 1 496 496 GLU CA C 496 57.036 57.036 58.696 -1.660 25007 2905 1 6 . 1 1 496 496 GLU CB C 496 30.369 30.369 30.081 0.288 25007 2906 1 6 . 1 1 496 496 GLU H H 496 8.230 8.230 8.094 0.136 25007 2907 1 6 . 1 1 497 497 GLU N N 497 120.969 120.969 120.075 0.894 25007 2908 1 6 . 1 1 497 497 GLU HA H 497 4.432 4.432 4.189 0.243 25007 2909 1 6 . 1 1 497 497 GLU C C 497 176.587 176.587 175.551 1.036 25007 2910 1 6 . 1 1 497 497 GLU CA C 497 56.731 56.731 55.215 1.516 25007 2911 1 6 . 1 1 497 497 GLU CB C 497 29.467 29.467 29.071 0.396 25007 2912 1 6 . 1 1 497 497 GLU H H 497 8.286 8.286 8.062 0.224 25007 2913 1 6 . 1 1 498 498 THR N N 498 114.281 114.281 116.434 -2.153 25007 2914 1 6 . 1 1 498 498 THR HA H 498 4.540 4.540 4.400 0.140 25007 2915 1 6 . 1 1 498 498 THR C C 498 174.512 174.512 172.558 1.954 25007 2916 1 6 . 1 1 498 498 THR CA C 498 61.494 61.494 60.896 0.598 25007 2917 1 6 . 1 1 498 498 THR CB C 498 70.298 70.298 69.028 1.270 25007 2918 1 6 . 1 1 498 498 THR H H 498 8.192 8.192 7.836 0.356 25007 2919 1 6 . 1 1 499 499 PHE N N 499 119.424 119.424 121.369 -1.945 25007 2920 1 6 . 1 1 499 499 PHE HA H 499 4.557 4.557 4.515 0.042 25007 2921 1 6 . 1 1 499 499 PHE C C 499 176.196 176.196 176.658 -0.462 25007 2922 1 6 . 1 1 499 499 PHE CA C 499 58.536 58.536 57.621 0.915 25007 2923 1 6 . 1 1 499 499 PHE CB C 499 38.497 38.497 39.832 -1.335 25007 2924 1 6 . 1 1 499 499 PHE H H 499 8.191 8.191 7.897 0.294 25007 2925 1 6 . 1 1 500 500 LYS N N 500 120.866 120.866 116.970 3.896 25007 2926 1 6 . 1 1 500 500 LYS HA H 500 4.011 4.011 4.177 -0.166 25007 2927 1 6 . 1 1 500 500 LYS C C 500 175.712 175.712 174.935 0.777 25007 2928 1 6 . 1 1 500 500 LYS CA C 500 57.773 57.773 57.313 0.460 25007 2929 1 6 . 1 1 500 500 LYS CB C 500 33.363 33.363 32.610 0.753 25007 2930 1 6 . 1 1 500 500 LYS H H 500 7.848 7.848 8.042 -0.194 25007 2931 1 6 . 1 1 501 501 TYR N N 501 114.937 114.937 118.522 -3.585 25007 2932 1 6 . 1 1 501 501 TYR HA H 501 5.313 5.313 5.639 -0.326 25007 2933 1 6 . 1 1 501 501 TYR C C 501 175.113 175.113 175.529 -0.416 25007 2934 1 6 . 1 1 501 501 TYR CA C 501 55.044 55.044 54.836 0.208 25007 2935 1 6 . 1 1 501 501 TYR CB C 501 41.727 41.727 40.114 1.613 25007 2936 1 6 . 1 1 501 501 TYR H H 501 7.214 7.214 7.432 -0.218 25007 2937 1 6 . 1 1 502 502 ARG N N 502 119.116 119.116 121.275 -2.159 25007 2938 1 6 . 1 1 502 502 ARG HA H 502 4.543 4.543 4.676 -0.133 25007 2939 1 6 . 1 1 502 502 ARG C C 502 173.549 173.549 174.249 -0.700 25007 2940 1 6 . 1 1 502 502 ARG CA C 502 54.462 54.462 53.871 0.591 25007 2941 1 6 . 1 1 502 502 ARG CB C 502 32.980 32.980 32.637 0.343 25007 2942 1 6 . 1 1 502 502 ARG H H 502 8.663 8.663 8.534 0.129 25007 2943 1 6 . 1 1 503 503 PHE N N 503 121.105 121.105 123.979 -2.874 25007 2944 1 6 . 1 1 503 503 PHE HA H 503 5.281 5.281 4.882 0.399 25007 2945 1 6 . 1 1 503 503 PHE C C 503 176.268 176.268 176.384 -0.116 25007 2946 1 6 . 1 1 503 503 PHE CA C 503 55.736 55.736 57.811 -2.075 25007 2947 1 6 . 1 1 503 503 PHE CB C 503 41.345 41.345 39.548 1.797 25007 2948 1 6 . 1 1 503 503 PHE H H 503 8.691 8.691 8.920 -0.229 25007 2949 1 6 . 1 1 504 504 LYS N N 504 121.191 121.191 126.384 -5.193 25007 2950 1 6 . 1 1 504 504 LYS HA H 504 4.892 4.892 4.696 0.196 25007 2951 1 6 . 1 1 504 504 LYS C C 504 174.929 174.929 175.278 -0.349 25007 2952 1 6 . 1 1 504 504 LYS CA C 504 55.269 55.269 54.753 0.516 25007 2953 1 6 . 1 1 504 504 LYS CB C 504 36.405 36.405 33.702 2.703 25007 2954 1 6 . 1 1 504 504 LYS H H 504 8.914 8.914 9.135 -0.221 25007 2955 1 6 . 1 1 505 505 LYS N N 505 126.575 126.575 126.834 -0.259 25007 2956 1 6 . 1 1 505 505 LYS HA H 505 4.860 4.860 4.454 0.406 25007 2957 1 6 . 1 1 505 505 LYS C C 505 174.542 174.542 175.819 -1.277 25007 2958 1 6 . 1 1 505 505 LYS CA C 505 55.484 55.484 55.970 -0.486 25007 2959 1 6 . 1 1 505 505 LYS CB C 505 34.831 34.831 33.242 1.589 25007 2960 1 6 . 1 1 505 505 LYS H H 505 8.822 8.822 8.929 -0.107 25007 2961 1 6 . 1 1 506 506 ASP N N 506 125.932 125.932 128.701 -2.769 25007 2962 1 6 . 1 1 506 506 ASP HA H 506 4.814 4.814 4.860 -0.046 25007 2963 1 6 . 1 1 506 506 ASP C C 506 176.075 176.075 175.362 0.713 25007 2964 1 6 . 1 1 506 506 ASP CA C 506 52.597 52.597 53.509 -0.912 25007 2965 1 6 . 1 1 506 506 ASP CB C 506 41.813 41.813 41.739 0.074 25007 2966 1 6 . 1 1 506 506 ASP H H 506 8.911 8.911 8.154 0.757 25007 2967 1 6 . 1 1 507 507 GLY N N 507 114.443 114.443 109.952 4.491 25007 2968 1 6 . 1 1 507 507 GLY C C 507 175.318 175.318 175.407 -0.089 25007 2969 1 6 . 1 1 507 507 GLY CA C 507 47.542 47.542 45.730 1.812 25007 2970 1 6 . 1 1 507 507 GLY H H 507 8.989 8.989 8.085 0.904 25007 2971 1 6 . 1 1 508 508 GLN N N 508 128.587 128.587 123.613 4.974 25007 2972 1 6 . 1 1 508 508 GLN HA H 508 4.546 4.546 4.179 0.367 25007 2973 1 6 . 1 1 508 508 GLN C C 508 174.087 174.087 176.372 -2.285 25007 2974 1 6 . 1 1 508 508 GLN CA C 508 57.107 57.107 57.081 0.026 25007 2975 1 6 . 1 1 508 508 GLN CB C 508 30.198 30.198 29.430 0.768 25007 2976 1 6 . 1 1 508 508 GLN H H 508 9.426 9.426 8.593 0.833 25007 2977 1 6 . 1 1 509 509 ARG N N 509 120.282 120.282 118.754 1.528 25007 2978 1 6 . 1 1 509 509 ARG HA H 509 4.971 4.971 5.158 -0.187 25007 2979 1 6 . 1 1 509 509 ARG C C 509 174.531 174.531 175.218 -0.687 25007 2980 1 6 . 1 1 509 509 ARG CA C 509 56.149 56.149 54.988 1.161 25007 2981 1 6 . 1 1 509 509 ARG CB C 509 31.984 31.984 32.012 -0.028 25007 2982 1 6 . 1 1 509 509 ARG H H 509 8.185 8.185 7.268 0.917 25007 2983 1 6 . 1 1 510 510 HIS N N 510 122.738 122.738 122.273 0.465 25007 2984 1 6 . 1 1 510 510 HIS HA H 510 5.128 5.128 5.742 -0.614 25007 2985 1 6 . 1 1 510 510 HIS C C 510 174.763 174.763 174.724 0.039 25007 2986 1 6 . 1 1 510 510 HIS CA C 510 56.499 56.499 54.619 1.880 25007 2987 1 6 . 1 1 510 510 HIS CB C 510 35.219 35.219 32.696 2.523 25007 2988 1 6 . 1 1 510 510 HIS H H 510 8.766 8.766 9.255 -0.489 25007 2989 1 6 . 1 1 511 511 HIS N N 511 118.975 118.975 124.428 -5.453 25007 2990 1 6 . 1 1 511 511 HIS HA H 511 6.074 6.074 5.288 0.786 25007 2991 1 6 . 1 1 511 511 HIS C C 511 173.805 173.805 173.704 0.101 25007 2992 1 6 . 1 1 511 511 HIS CA C 511 53.886 53.886 54.998 -1.112 25007 2993 1 6 . 1 1 511 511 HIS CB C 511 33.159 33.159 31.543 1.617 25007 2994 1 6 . 1 1 511 511 HIS H H 511 9.314 9.314 9.277 0.037 25007 2995 1 6 . 1 1 512 512 LEU N N 512 125.887 125.887 128.403 -2.516 25007 2996 1 6 . 1 1 512 512 LEU HA H 512 4.382 4.382 4.683 -0.301 25007 2997 1 6 . 1 1 512 512 LEU C C 512 174.018 174.018 174.406 -0.388 25007 2998 1 6 . 1 1 512 512 LEU CA C 512 54.038 54.038 53.159 0.879 25007 2999 1 6 . 1 1 512 512 LEU CB C 512 42.246 42.246 42.993 -0.747 25007 3000 1 6 . 1 1 512 512 LEU H H 512 8.403 8.403 8.869 -0.466 25007 3001 1 6 . 1 1 513 513 ILE N N 513 127.359 127.359 129.111 -1.752 25007 3002 1 6 . 1 1 513 513 ILE HA H 513 4.953 4.953 4.719 0.234 25007 3003 1 6 . 1 1 513 513 ILE C C 513 175.456 175.456 173.906 1.550 25007 3004 1 6 . 1 1 513 513 ILE CA C 513 59.184 59.184 58.932 0.251 25007 3005 1 6 . 1 1 513 513 ILE CB C 513 40.899 40.899 40.517 0.382 25007 3006 1 6 . 1 1 513 513 ILE H H 513 8.885 8.885 8.375 0.510 25007 3007 1 6 . 1 1 514 514 ILE N N 514 126.969 126.969 130.688 -3.719 25007 3008 1 6 . 1 1 514 514 ILE HA H 514 4.391 4.391 4.801 -0.410 25007 3009 1 6 . 1 1 514 514 ILE C C 514 175.544 175.544 175.854 -0.310 25007 3010 1 6 . 1 1 514 514 ILE CA C 514 60.181 60.181 60.732 -0.551 25007 3011 1 6 . 1 1 514 514 ILE CB C 514 39.580 39.580 37.850 1.730 25007 3012 1 6 . 1 1 514 514 ILE H H 514 8.929 8.929 9.145 -0.216 25007 3013 1 6 . 1 1 515 515 ASN N N 515 124.537 124.537 126.214 -1.677 25007 3014 1 6 . 1 1 515 515 ASN HA H 515 4.187 4.187 4.551 -0.364 25007 3015 1 6 . 1 1 515 515 ASN C C 515 174.955 174.955 175.359 -0.404 25007 3016 1 6 . 1 1 515 515 ASN CA C 515 57.082 57.082 56.261 0.820 25007 3017 1 6 . 1 1 515 515 ASN CB C 515 38.847 38.847 39.209 -0.362 25007 3018 1 6 . 1 1 515 515 ASN H H 515 8.112 8.112 9.067 -0.955 25007 3019 1 6 . 1 1 516 516 GLU N N 516 117.395 117.395 118.808 -1.413 25007 3020 1 6 . 1 1 516 516 GLU HA H 516 3.780 3.780 4.494 -0.714 25007 3021 1 6 . 1 1 516 516 GLU C C 516 173.992 173.992 174.528 -0.536 25007 3022 1 6 . 1 1 516 516 GLU CA C 516 55.067 55.067 55.428 -0.361 25007 3023 1 6 . 1 1 516 516 GLU CB C 516 31.592 31.592 31.432 0.160 25007 3024 1 6 . 1 1 516 516 GLU H H 516 8.156 8.156 7.868 0.288 25007 3025 1 6 . 1 1 517 517 ALA N N 517 125.988 125.988 128.393 -2.405 25007 3026 1 6 . 1 1 517 517 ALA HA H 517 4.145 4.145 4.770 -0.625 25007 3027 1 6 . 1 1 517 517 ALA C C 517 177.314 177.314 175.859 1.455 25007 3028 1 6 . 1 1 517 517 ALA CA C 517 53.495 53.495 51.880 1.615 25007 3029 1 6 . 1 1 517 517 ALA CB C 517 18.842 18.842 20.537 -1.695 25007 3030 1 6 . 1 1 517 517 ALA H H 517 8.703 8.703 8.317 0.386 25007 3031 1 6 . 1 1 518 518 MET N N 518 123.199 123.199 120.963 2.236 25007 3032 1 6 . 1 1 518 518 MET HA H 518 4.845 4.845 4.688 0.157 25007 3033 1 6 . 1 1 518 518 MET C C 518 177.647 177.647 177.575 0.072 25007 3034 1 6 . 1 1 518 518 MET CA C 518 53.070 53.070 53.724 -0.654 25007 3035 1 6 . 1 1 518 518 MET CB C 518 35.877 35.877 33.991 1.886 25007 3036 1 6 . 1 1 518 518 MET H H 518 9.802 9.802 8.498 1.304 25007 3037 1 6 . 1 1 519 519 LEU N N 519 123.266 123.266 122.385 0.881 25007 3038 1 6 . 1 1 519 519 LEU HA H 519 3.822 3.822 4.126 -0.304 25007 3039 1 6 . 1 1 519 519 LEU C C 519 180.760 180.760 179.472 1.288 25007 3040 1 6 . 1 1 519 519 LEU CA C 519 59.358 59.358 58.509 0.849 25007 3041 1 6 . 1 1 519 519 LEU CB C 519 40.910 40.910 40.745 0.165 25007 3042 1 6 . 1 1 519 519 LEU H H 519 9.097 9.097 8.547 0.550 25007 3043 1 6 . 1 1 520 520 GLU N N 520 115.379 115.379 118.244 -2.865 25007 3044 1 6 . 1 1 520 520 GLU HA H 520 4.243 4.243 4.225 0.018 25007 3045 1 6 . 1 1 520 520 GLU C C 520 176.447 176.447 177.649 -1.202 25007 3046 1 6 . 1 1 520 520 GLU CA C 520 58.255 58.255 58.105 0.150 25007 3047 1 6 . 1 1 520 520 GLU CB C 520 28.497 28.497 29.379 -0.882 25007 3048 1 6 . 1 1 520 520 GLU H H 520 9.071 9.071 8.485 0.586 25007 3049 1 6 . 1 1 521 521 ASP N N 521 117.057 117.057 119.253 -2.196 25007 3050 1 6 . 1 1 521 521 ASP HA H 521 4.650 4.650 4.587 0.063 25007 3051 1 6 . 1 1 521 521 ASP C C 521 176.747 176.747 177.124 -0.377 25007 3052 1 6 . 1 1 521 521 ASP CA C 521 55.790 55.790 55.492 0.298 25007 3053 1 6 . 1 1 521 521 ASP CB C 521 40.882 40.882 40.819 0.063 25007 3054 1 6 . 1 1 521 521 ASP H H 521 8.089 8.089 8.269 -0.180 25007 3055 1 6 . 1 1 522 522 ALA N N 522 123.576 123.576 121.642 1.934 25007 3056 1 6 . 1 1 522 522 ALA HA H 522 4.138 4.138 4.298 -0.160 25007 3057 1 6 . 1 1 522 522 ALA C C 522 176.493 176.493 178.529 -2.036 25007 3058 1 6 . 1 1 522 522 ALA CA C 522 53.668 53.668 54.117 -0.449 25007 3059 1 6 . 1 1 522 522 ALA CB C 522 19.822 19.822 18.936 0.886 25007 3060 1 6 . 1 1 522 522 ALA H H 522 7.560 7.560 7.393 0.167 25007 3061 1 6 . 1 1 523 523 GLY N N 523 107.939 107.939 105.792 2.147 25007 3062 1 6 . 1 1 523 523 GLY C C 523 171.581 171.581 173.881 -2.300 25007 3063 1 6 . 1 1 523 523 GLY CA C 523 44.966 44.966 45.370 -0.404 25007 3064 1 6 . 1 1 523 523 GLY H H 523 8.486 8.486 7.582 0.904 25007 3065 1 6 . 1 1 524 524 HIS N N 524 119.624 119.624 120.106 -0.482 25007 3066 1 6 . 1 1 524 524 HIS HA H 524 5.284 5.284 5.000 0.284 25007 3067 1 6 . 1 1 524 524 HIS C C 524 174.529 174.529 174.491 0.038 25007 3068 1 6 . 1 1 524 524 HIS CA C 524 55.966 55.966 55.006 0.960 25007 3069 1 6 . 1 1 524 524 HIS CB C 524 29.911 29.911 30.444 -0.533 25007 3070 1 6 . 1 1 524 524 HIS H H 524 9.138 9.138 8.539 0.599 25007 3071 1 6 . 1 1 525 525 TYR N N 525 127.402 127.402 125.935 1.467 25007 3072 1 6 . 1 1 525 525 TYR HA H 525 5.188 5.188 4.891 0.297 25007 3073 1 6 . 1 1 525 525 TYR C C 525 173.765 173.765 174.167 -0.402 25007 3074 1 6 . 1 1 525 525 TYR CA C 525 57.235 57.235 58.236 -1.001 25007 3075 1 6 . 1 1 525 525 TYR CB C 525 40.847 40.847 39.527 1.320 25007 3076 1 6 . 1 1 525 525 TYR H H 525 9.571 9.571 8.946 0.625 25007 3077 1 6 . 1 1 526 526 ALA N N 526 121.895 121.895 125.810 -3.915 25007 3078 1 6 . 1 1 526 526 ALA HA H 526 5.595 5.595 5.155 0.440 25007 3079 1 6 . 1 1 526 526 ALA C C 526 175.256 175.256 174.757 0.499 25007 3080 1 6 . 1 1 526 526 ALA CA C 526 49.674 49.674 50.096 -0.422 25007 3081 1 6 . 1 1 526 526 ALA CB C 526 24.106 24.106 22.892 1.214 25007 3082 1 6 . 1 1 526 526 ALA H H 526 9.096 9.096 9.241 -0.145 25007 3083 1 6 . 1 1 527 527 LEU N N 527 121.830 121.830 123.369 -1.539 25007 3084 1 6 . 1 1 527 527 LEU HA H 527 4.566 4.566 4.782 -0.216 25007 3085 1 6 . 1 1 527 527 LEU C C 527 175.945 175.945 175.311 0.634 25007 3086 1 6 . 1 1 527 527 LEU CA C 527 52.867 52.867 53.170 -0.303 25007 3087 1 6 . 1 1 527 527 LEU CB C 527 42.946 42.946 43.976 -1.030 25007 3088 1 6 . 1 1 527 527 LEU H H 527 8.164 8.164 8.024 0.140 25007 3089 1 6 . 1 1 528 528 CYS N N 528 122.905 122.905 128.164 -5.259 25007 3090 1 6 . 1 1 528 528 CYS HA H 528 4.983 4.983 4.579 0.404 25007 3091 1 6 . 1 1 528 528 CYS C C 528 174.337 174.337 174.443 -0.106 25007 3092 1 6 . 1 1 528 528 CYS CA C 528 57.228 57.228 58.566 -1.338 25007 3093 1 6 . 1 1 528 528 CYS CB C 528 29.887 29.887 26.638 3.249 25007 3094 1 6 . 1 1 528 528 CYS H H 528 8.974 8.974 9.114 -0.140 25007 3095 1 6 . 1 1 529 529 THR N N 529 116.293 116.293 119.898 -3.605 25007 3096 1 6 . 1 1 529 529 THR HA H 529 4.693 4.693 4.726 -0.033 25007 3097 1 6 . 1 1 529 529 THR C C 529 175.292 175.292 175.427 -0.135 25007 3098 1 6 . 1 1 529 529 THR CA C 529 59.531 59.531 60.051 -0.520 25007 3099 1 6 . 1 1 529 529 THR CB C 529 71.282 71.282 70.648 0.634 25007 3100 1 6 . 1 1 529 529 THR H H 529 8.660 8.660 7.991 0.669 25007 3101 1 6 . 1 1 530 530 SER N N 530 115.090 115.090 115.667 -0.577 25007 3102 1 6 . 1 1 530 530 SER HA H 530 4.255 4.255 4.239 0.016 25007 3103 1 6 . 1 1 530 530 SER C C 530 175.719 175.719 174.986 0.733 25007 3104 1 6 . 1 1 530 530 SER CA C 530 59.970 59.970 60.010 -0.040 25007 3105 1 6 . 1 1 530 530 SER CB C 530 62.914 62.914 62.875 0.039 25007 3106 1 6 . 1 1 530 530 SER H H 530 9.373 9.373 8.888 0.485 25007 3107 1 6 . 1 1 531 531 GLY N N 531 108.629 108.629 107.438 1.191 25007 3108 1 6 . 1 1 531 531 GLY C C 531 173.708 173.708 173.476 0.232 25007 3109 1 6 . 1 1 531 531 GLY CA C 531 45.032 45.032 44.871 0.161 25007 3110 1 6 . 1 1 531 531 GLY H H 531 8.145 8.145 7.327 0.818 25007 3111 1 6 . 1 1 532 532 GLY N N 532 109.085 109.085 106.625 2.460 25007 3112 1 6 . 1 1 532 532 GLY C C 532 170.571 170.571 172.400 -1.829 25007 3113 1 6 . 1 1 532 532 GLY CA C 532 45.443 45.443 44.025 1.419 25007 3114 1 6 . 1 1 532 532 GLY H H 532 7.518 7.518 7.982 -0.464 25007 3115 1 6 . 1 1 533 533 GLN N N 533 116.769 116.769 121.142 -4.373 25007 3116 1 6 . 1 1 533 533 GLN HA H 533 5.329 5.329 4.849 0.480 25007 3117 1 6 . 1 1 533 533 GLN C C 533 174.087 174.087 174.605 -0.518 25007 3118 1 6 . 1 1 533 533 GLN CA C 533 54.453 54.453 54.487 -0.035 25007 3119 1 6 . 1 1 533 533 GLN CB C 533 32.474 32.474 31.093 1.381 25007 3120 1 6 . 1 1 533 533 GLN H H 533 8.302 8.302 8.242 0.060 25007 3121 1 6 . 1 1 534 534 ALA N N 534 126.978 126.978 128.631 -1.653 25007 3122 1 6 . 1 1 534 534 ALA HA H 534 4.845 4.845 4.669 0.176 25007 3123 1 6 . 1 1 534 534 ALA C C 534 174.509 174.509 174.271 0.238 25007 3124 1 6 . 1 1 534 534 ALA CA C 534 50.792 50.792 51.038 -0.246 25007 3125 1 6 . 1 1 534 534 ALA CB C 534 22.023 22.023 21.564 0.459 25007 3126 1 6 . 1 1 534 534 ALA H H 534 8.863 8.863 8.550 0.313 25007 3127 1 6 . 1 1 535 535 LEU N N 535 122.725 122.725 122.625 0.100 25007 3128 1 6 . 1 1 535 535 LEU HA H 535 5.386 5.386 5.289 0.097 25007 3129 1 6 . 1 1 535 535 LEU C C 535 176.477 176.477 175.526 0.951 25007 3130 1 6 . 1 1 535 535 LEU CA C 535 54.253 54.253 53.894 0.359 25007 3131 1 6 . 1 1 535 535 LEU CB C 535 46.315 46.315 45.725 0.590 25007 3132 1 6 . 1 1 535 535 LEU H H 535 8.438 8.438 8.368 0.070 25007 3133 1 6 . 1 1 536 536 ALA N N 536 125.405 125.405 127.879 -2.474 25007 3134 1 6 . 1 1 536 536 ALA HA H 536 4.740 4.740 4.820 -0.080 25007 3135 1 6 . 1 1 536 536 ALA C C 536 174.310 174.310 175.046 -0.736 25007 3136 1 6 . 1 1 536 536 ALA CA C 536 51.928 51.928 51.232 0.696 25007 3137 1 6 . 1 1 536 536 ALA CB C 536 24.477 24.477 22.501 1.976 25007 3138 1 6 . 1 1 536 536 ALA H H 536 9.336 9.336 9.215 0.121 25007 3139 1 6 . 1 1 537 537 GLU N N 537 121.895 121.895 121.811 0.084 25007 3140 1 6 . 1 1 537 537 GLU HA H 537 4.919 4.919 4.639 0.280 25007 3141 1 6 . 1 1 537 537 GLU C C 537 174.790 174.790 174.998 -0.208 25007 3142 1 6 . 1 1 537 537 GLU CA C 537 54.758 54.758 55.370 -0.612 25007 3143 1 6 . 1 1 537 537 GLU CB C 537 32.505 32.505 32.018 0.487 25007 3144 1 6 . 1 1 537 537 GLU H H 537 9.296 9.296 8.789 0.507 25007 3145 1 6 . 1 1 538 538 LEU N N 538 125.064 125.064 126.855 -1.791 25007 3146 1 6 . 1 1 538 538 LEU HA H 538 5.365 5.365 4.760 0.605 25007 3147 1 6 . 1 1 538 538 LEU C C 538 175.931 175.931 175.664 0.267 25007 3148 1 6 . 1 1 538 538 LEU CA C 538 53.389 53.389 53.974 -0.585 25007 3149 1 6 . 1 1 538 538 LEU CB C 538 45.315 45.315 44.538 0.777 25007 3150 1 6 . 1 1 538 538 LEU H H 538 9.274 9.274 8.177 1.097 25007 3151 1 6 . 1 1 539 539 ILE N N 539 130.885 130.885 125.299 5.586 25007 3152 1 6 . 1 1 539 539 ILE HA H 539 4.282 4.282 4.292 -0.010 25007 3153 1 6 . 1 1 539 539 ILE C C 539 173.958 173.958 174.619 -0.661 25007 3154 1 6 . 1 1 539 539 ILE CA C 539 61.171 61.171 60.175 0.996 25007 3155 1 6 . 1 1 539 539 ILE CB C 539 39.901 39.901 39.622 0.279 25007 3156 1 6 . 1 1 539 539 ILE H H 539 8.867 8.867 8.447 0.420 25007 3157 1 6 . 1 1 540 540 VAL N N 540 125.478 125.478 127.589 -2.111 25007 3158 1 6 . 1 1 540 540 VAL HA H 540 4.770 4.770 4.759 0.011 25007 3159 1 6 . 1 1 540 540 VAL C C 540 174.948 174.948 175.519 -0.571 25007 3160 1 6 . 1 1 540 540 VAL CA C 540 60.316 60.316 60.830 -0.514 25007 3161 1 6 . 1 1 540 540 VAL CB C 540 33.691 33.691 33.477 0.214 25007 3162 1 6 . 1 1 540 540 VAL H H 540 7.880 7.880 8.533 -0.653 25007 3163 1 6 . 1 1 541 541 GLN N N 541 126.082 126.082 126.150 -0.068 25007 3164 1 6 . 1 1 541 541 GLN HA H 541 4.618 4.618 4.615 0.003 25007 3165 1 6 . 1 1 541 541 GLN C C 541 174.952 174.952 174.547 0.405 25007 3166 1 6 . 1 1 541 541 GLN CA C 541 54.372 54.372 53.813 0.559 25007 3167 1 6 . 1 1 541 541 GLN CB C 541 31.571 31.571 32.533 -0.962 25007 3168 1 6 . 1 1 541 541 GLN H H 541 9.066 9.066 8.448 0.618 25007 3169 1 6 . 1 1 542 542 GLU N N 542 122.178 122.178 123.065 -0.887 25007 3170 1 6 . 1 1 542 542 GLU HA H 542 4.312 4.312 4.185 0.127 25007 3171 1 6 . 1 1 542 542 GLU C C 542 175.419 175.419 175.780 -0.361 25007 3172 1 6 . 1 1 542 542 GLU CA C 542 57.108 57.108 57.355 -0.246 25007 3173 1 6 . 1 1 542 542 GLU CB C 542 31.266 31.266 29.510 1.756 25007 3174 1 6 . 1 1 542 542 GLU H H 542 8.742 8.742 8.829 -0.087 25007 3175 1 7 . 1 1 451 451 HIS HA H 451 4.656 4.656 4.618 0.038 25007 3176 1 7 . 1 1 451 451 HIS C C 451 174.793 174.793 174.138 0.655 25007 3177 1 7 . 1 1 451 451 HIS CA C 451 55.947 55.947 55.464 0.483 25007 3178 1 7 . 1 1 451 451 HIS CB C 451 29.903 29.903 29.183 0.720 25007 3179 1 7 . 1 1 452 452 MET N N 452 123.193 123.193 124.487 -1.294 25007 3180 1 7 . 1 1 452 452 MET C C 452 173.991 173.991 173.675 0.316 25007 3181 1 7 . 1 1 452 452 MET CA C 452 53.192 53.192 52.891 0.301 25007 3182 1 7 . 1 1 452 452 MET CB C 452 31.977 31.977 33.138 -1.161 25007 3183 1 7 . 1 1 452 452 MET H H 452 8.342 8.342 7.910 0.432 25007 3184 1 7 . 1 1 453 453 PRO HA H 453 4.293 4.293 4.459 -0.166 25007 3185 1 7 . 1 1 453 453 PRO C C 453 175.733 175.733 176.023 -0.290 25007 3186 1 7 . 1 1 453 453 PRO CA C 453 62.734 62.734 62.085 0.649 25007 3187 1 7 . 1 1 453 453 PRO CB C 453 32.139 32.139 32.140 -0.001 25007 3188 1 7 . 1 1 454 454 VAL N N 454 122.227 122.227 124.188 -1.961 25007 3189 1 7 . 1 1 454 454 VAL HA H 454 3.732 3.732 4.167 -0.435 25007 3190 1 7 . 1 1 454 454 VAL C C 454 175.296 175.296 175.779 -0.483 25007 3191 1 7 . 1 1 454 454 VAL CA C 454 63.126 63.126 61.889 1.237 25007 3192 1 7 . 1 1 454 454 VAL CB C 454 32.085 32.085 31.361 0.724 25007 3193 1 7 . 1 1 454 454 VAL H H 454 7.799 7.799 8.390 -0.591 25007 3194 1 7 . 1 1 455 455 LEU N N 455 129.419 129.419 129.652 -0.233 25007 3195 1 7 . 1 1 455 455 LEU HA H 455 4.435 4.435 4.696 -0.261 25007 3196 1 7 . 1 1 455 455 LEU C C 455 176.294 176.294 175.642 0.652 25007 3197 1 7 . 1 1 455 455 LEU CA C 455 52.797 52.797 53.266 -0.469 25007 3198 1 7 . 1 1 455 455 LEU CB C 455 43.631 43.631 44.950 -1.319 25007 3199 1 7 . 1 1 455 455 LEU H H 455 8.571 8.571 8.282 0.289 25007 3200 1 7 . 1 1 456 456 ILE N N 456 120.867 120.867 126.564 -5.697 25007 3201 1 7 . 1 1 456 456 ILE HA H 456 4.229 4.229 4.210 0.019 25007 3202 1 7 . 1 1 456 456 ILE C C 456 176.619 176.619 176.049 0.570 25007 3203 1 7 . 1 1 456 456 ILE CA C 456 60.780 60.780 62.009 -1.229 25007 3204 1 7 . 1 1 456 456 ILE CB C 456 36.796 36.796 36.891 -0.095 25007 3205 1 7 . 1 1 456 456 ILE H H 456 8.507 8.507 8.596 -0.089 25007 3206 1 7 . 1 1 457 457 THR N N 457 120.915 120.915 122.288 -1.373 25007 3207 1 7 . 1 1 457 457 THR HA H 457 4.285 4.285 4.278 0.007 25007 3208 1 7 . 1 1 457 457 THR C C 457 175.963 175.963 174.425 1.538 25007 3209 1 7 . 1 1 457 457 THR CA C 457 62.753 62.753 63.592 -0.839 25007 3210 1 7 . 1 1 457 457 THR CB C 457 67.879 67.879 69.403 -1.524 25007 3211 1 7 . 1 1 457 457 THR H H 457 8.657 8.657 8.607 0.050 25007 3212 1 7 . 1 1 458 458 ARG N N 458 122.699 122.699 121.683 1.016 25007 3213 1 7 . 1 1 458 458 ARG HA H 458 4.923 4.923 4.798 0.125 25007 3214 1 7 . 1 1 458 458 ARG C C 458 173.213 173.213 173.571 -0.358 25007 3215 1 7 . 1 1 458 458 ARG CA C 458 53.918 53.918 52.669 1.248 25007 3216 1 7 . 1 1 458 458 ARG CB C 458 32.559 32.559 31.771 0.788 25007 3217 1 7 . 1 1 458 458 ARG H H 458 7.552 7.552 7.594 -0.042 25007 3218 1 7 . 1 1 459 459 PRO HA H 459 4.298 4.298 4.346 -0.048 25007 3219 1 7 . 1 1 459 459 PRO C C 459 175.741 175.741 176.344 -0.603 25007 3220 1 7 . 1 1 459 459 PRO CA C 459 62.575 62.575 62.646 -0.071 25007 3221 1 7 . 1 1 459 459 PRO CB C 459 32.551 32.551 32.015 0.536 25007 3222 1 7 . 1 1 460 460 LEU N N 460 115.474 115.474 120.481 -5.007 25007 3223 1 7 . 1 1 460 460 LEU HA H 460 4.563 4.563 4.867 -0.304 25007 3224 1 7 . 1 1 460 460 LEU C C 460 176.142 176.142 178.254 -2.112 25007 3225 1 7 . 1 1 460 460 LEU CA C 460 55.013 55.013 54.116 0.897 25007 3226 1 7 . 1 1 460 460 LEU CB C 460 45.292 45.292 42.292 2.999 25007 3227 1 7 . 1 1 460 460 LEU H H 460 6.157 6.157 8.351 -2.194 25007 3228 1 7 . 1 1 461 461 GLU N N 461 120.613 120.613 119.978 0.635 25007 3229 1 7 . 1 1 461 461 GLU HA H 461 4.795 4.795 4.217 0.578 25007 3230 1 7 . 1 1 461 461 GLU C C 461 175.540 175.540 176.528 -0.988 25007 3231 1 7 . 1 1 461 461 GLU CA C 461 54.657 54.657 56.775 -2.118 25007 3232 1 7 . 1 1 461 461 GLU CB C 461 32.600 32.600 30.631 1.969 25007 3233 1 7 . 1 1 461 461 GLU H H 461 8.387 8.387 8.781 -0.394 25007 3234 1 7 . 1 1 462 462 ASP N N 462 122.579 122.579 122.030 0.549 25007 3235 1 7 . 1 1 462 462 ASP HA H 462 5.031 5.031 4.664 0.367 25007 3236 1 7 . 1 1 462 462 ASP C C 462 176.359 176.359 175.418 0.941 25007 3237 1 7 . 1 1 462 462 ASP CA C 462 55.433 55.433 54.131 1.302 25007 3238 1 7 . 1 1 462 462 ASP CB C 462 41.069 41.069 40.933 0.136 25007 3239 1 7 . 1 1 462 462 ASP H H 462 8.599 8.599 8.560 0.039 25007 3240 1 7 . 1 1 463 463 GLN N N 463 117.028 117.028 117.732 -0.704 25007 3241 1 7 . 1 1 463 463 GLN HA H 463 4.667 4.667 4.477 0.190 25007 3242 1 7 . 1 1 463 463 GLN C C 463 173.563 173.563 174.280 -0.717 25007 3243 1 7 . 1 1 463 463 GLN CA C 463 54.227 54.227 54.920 -0.694 25007 3244 1 7 . 1 1 463 463 GLN CB C 463 33.204 33.204 30.774 2.430 25007 3245 1 7 . 1 1 463 463 GLN H H 463 8.755 8.755 7.622 1.133 25007 3246 1 7 . 1 1 464 464 LEU N N 464 127.581 127.581 118.814 8.767 25007 3247 1 7 . 1 1 464 464 LEU HA H 464 5.307 5.307 4.815 0.492 25007 3248 1 7 . 1 1 464 464 LEU C C 464 175.838 175.838 175.870 -0.032 25007 3249 1 7 . 1 1 464 464 LEU CA C 464 54.667 54.667 53.979 0.688 25007 3250 1 7 . 1 1 464 464 LEU CB C 464 44.018 44.018 43.165 0.853 25007 3251 1 7 . 1 1 464 464 LEU H H 464 8.415 8.415 8.282 0.133 25007 3252 1 7 . 1 1 465 465 VAL N N 465 119.279 119.279 115.015 4.264 25007 3253 1 7 . 1 1 465 465 VAL HA H 465 4.774 4.774 4.488 0.286 25007 3254 1 7 . 1 1 465 465 VAL C C 465 173.711 173.711 174.508 -0.797 25007 3255 1 7 . 1 1 465 465 VAL CA C 465 58.517 58.517 59.439 -0.922 25007 3256 1 7 . 1 1 465 465 VAL CB C 465 36.110 36.110 35.293 0.817 25007 3257 1 7 . 1 1 465 465 VAL H H 465 8.695 8.695 8.666 0.029 25007 3258 1 7 . 1 1 466 466 MET N N 466 119.214 119.214 118.371 0.843 25007 3259 1 7 . 1 1 466 466 MET HA H 466 5.247 5.247 4.952 0.295 25007 3260 1 7 . 1 1 466 466 MET C C 466 176.491 176.491 177.023 -0.532 25007 3261 1 7 . 1 1 466 466 MET CA C 466 52.783 52.783 53.589 -0.806 25007 3262 1 7 . 1 1 466 466 MET CB C 466 33.609 33.609 34.908 -1.299 25007 3263 1 7 . 1 1 466 466 MET H H 466 8.073 8.073 8.232 -0.159 25007 3264 1 7 . 1 1 467 467 VAL N N 467 119.566 119.566 117.486 2.080 25007 3265 1 7 . 1 1 467 467 VAL HA H 467 3.420 3.420 4.173 -0.753 25007 3266 1 7 . 1 1 467 467 VAL C C 467 176.899 176.899 177.261 -0.362 25007 3267 1 7 . 1 1 467 467 VAL CA C 467 64.475 64.475 62.507 1.968 25007 3268 1 7 . 1 1 467 467 VAL CB C 467 32.180 32.180 31.536 0.644 25007 3269 1 7 . 1 1 467 467 VAL H H 467 7.891 7.891 8.026 -0.135 25007 3270 1 7 . 1 1 468 468 GLY N N 468 115.391 115.391 113.247 2.144 25007 3271 1 7 . 1 1 468 468 GLY C C 468 174.446 174.446 173.336 1.110 25007 3272 1 7 . 1 1 468 468 GLY CA C 468 44.690 44.690 45.009 -0.319 25007 3273 1 7 . 1 1 468 468 GLY H H 468 9.784 9.784 8.662 1.122 25007 3274 1 7 . 1 1 469 469 GLN N N 469 120.312 120.312 120.486 -0.174 25007 3275 1 7 . 1 1 469 469 GLN HA H 469 4.396 4.396 4.512 -0.116 25007 3276 1 7 . 1 1 469 469 GLN C C 469 174.534 174.534 175.183 -0.649 25007 3277 1 7 . 1 1 469 469 GLN CA C 469 55.882 55.882 54.443 1.440 25007 3278 1 7 . 1 1 469 469 GLN CB C 469 30.330 30.330 31.132 -0.802 25007 3279 1 7 . 1 1 469 469 GLN H H 469 7.948 7.948 7.398 0.550 25007 3280 1 7 . 1 1 470 470 ARG N N 470 122.876 122.876 123.934 -1.058 25007 3281 1 7 . 1 1 470 470 ARG HA H 470 4.559 4.559 4.965 -0.406 25007 3282 1 7 . 1 1 470 470 ARG C C 470 175.944 175.944 175.878 0.066 25007 3283 1 7 . 1 1 470 470 ARG CA C 470 55.425 55.425 55.946 -0.521 25007 3284 1 7 . 1 1 470 470 ARG CB C 470 31.418 31.418 30.517 0.901 25007 3285 1 7 . 1 1 470 470 ARG H H 470 8.133 8.133 8.428 -0.295 25007 3286 1 7 . 1 1 471 471 VAL N N 471 126.868 126.868 124.364 2.504 25007 3287 1 7 . 1 1 471 471 VAL HA H 471 4.125 4.125 4.283 -0.158 25007 3288 1 7 . 1 1 471 471 VAL C C 471 173.258 173.258 175.081 -1.823 25007 3289 1 7 . 1 1 471 471 VAL CA C 471 60.324 60.324 61.339 -1.015 25007 3290 1 7 . 1 1 471 471 VAL CB C 471 34.719 34.719 34.000 0.719 25007 3291 1 7 . 1 1 471 471 VAL H H 471 8.809 8.809 8.665 0.144 25007 3292 1 7 . 1 1 472 472 GLU N N 472 126.535 126.535 125.551 0.984 25007 3293 1 7 . 1 1 472 472 GLU HA H 472 5.064 5.064 5.065 -0.001 25007 3294 1 7 . 1 1 472 472 GLU C C 472 175.149 175.149 175.373 -0.224 25007 3295 1 7 . 1 1 472 472 GLU CA C 472 54.581 54.581 54.950 -0.369 25007 3296 1 7 . 1 1 472 472 GLU CB C 472 32.264 32.264 31.673 0.591 25007 3297 1 7 . 1 1 472 472 GLU H H 472 8.650 8.650 8.562 0.088 25007 3298 1 7 . 1 1 473 473 PHE N N 473 125.481 125.481 125.588 -0.107 25007 3299 1 7 . 1 1 473 473 PHE HA H 473 4.731 4.731 4.725 0.006 25007 3300 1 7 . 1 1 473 473 PHE C C 473 175.039 175.039 174.644 0.395 25007 3301 1 7 . 1 1 473 473 PHE CA C 473 57.568 57.568 57.323 0.245 25007 3302 1 7 . 1 1 473 473 PHE CB C 473 41.957 41.957 41.721 0.235 25007 3303 1 7 . 1 1 473 473 PHE H H 473 9.269 9.269 9.252 0.017 25007 3304 1 7 . 1 1 474 474 GLU N N 474 120.740 120.740 124.451 -3.711 25007 3305 1 7 . 1 1 474 474 GLU HA H 474 5.345 5.345 4.950 0.395 25007 3306 1 7 . 1 1 474 474 GLU C C 474 174.352 174.352 175.334 -0.982 25007 3307 1 7 . 1 1 474 474 GLU CA C 474 54.701 54.701 54.530 0.171 25007 3308 1 7 . 1 1 474 474 GLU CB C 474 33.357 33.357 33.021 0.336 25007 3309 1 7 . 1 1 474 474 GLU H H 474 8.464 8.464 9.018 -0.554 25007 3310 1 7 . 1 1 475 475 CYS N N 475 121.489 121.489 122.452 -0.963 25007 3311 1 7 . 1 1 475 475 CYS HA H 475 4.808 4.808 5.408 -0.600 25007 3312 1 7 . 1 1 475 475 CYS C C 475 172.098 172.098 173.432 -1.334 25007 3313 1 7 . 1 1 475 475 CYS CA C 475 56.609 56.609 56.069 0.540 25007 3314 1 7 . 1 1 475 475 CYS CB C 475 30.959 30.959 30.381 0.578 25007 3315 1 7 . 1 1 475 475 CYS H H 475 8.975 8.975 8.401 0.574 25007 3316 1 7 . 1 1 476 476 GLU N N 476 123.429 123.429 124.713 -1.284 25007 3317 1 7 . 1 1 476 476 GLU HA H 476 5.508 5.508 5.139 0.369 25007 3318 1 7 . 1 1 476 476 GLU C C 476 175.188 175.188 175.996 -0.808 25007 3319 1 7 . 1 1 476 476 GLU CA C 476 55.034 55.034 55.185 -0.151 25007 3320 1 7 . 1 1 476 476 GLU CB C 476 34.226 34.226 32.328 1.898 25007 3321 1 7 . 1 1 476 476 GLU H H 476 8.550 8.550 8.280 0.270 25007 3322 1 7 . 1 1 477 477 VAL N N 477 116.564 116.564 117.681 -1.117 25007 3323 1 7 . 1 1 477 477 VAL HA H 477 5.411 5.411 5.149 0.262 25007 3324 1 7 . 1 1 477 477 VAL C C 477 177.337 177.337 175.163 2.174 25007 3325 1 7 . 1 1 477 477 VAL CA C 477 58.807 58.807 58.904 -0.097 25007 3326 1 7 . 1 1 477 477 VAL CB C 477 33.847 33.847 35.231 -1.384 25007 3327 1 7 . 1 1 477 477 VAL H H 477 8.713 8.713 8.629 0.084 25007 3328 1 7 . 1 1 478 478 SER N N 478 111.232 111.232 114.396 -3.164 25007 3329 1 7 . 1 1 478 478 SER HA H 478 4.040 4.040 4.246 -0.206 25007 3330 1 7 . 1 1 478 478 SER C C 478 173.819 173.819 174.992 -1.173 25007 3331 1 7 . 1 1 478 478 SER CA C 478 61.120 61.120 60.227 0.893 25007 3332 1 7 . 1 1 478 478 SER CB C 478 63.537 63.537 64.020 -0.483 25007 3333 1 7 . 1 1 478 478 SER H H 478 8.756 8.756 8.021 0.735 25007 3334 1 7 . 1 1 479 479 GLU N N 479 116.963 116.963 121.655 -4.692 25007 3335 1 7 . 1 1 479 479 GLU HA H 479 4.846 4.846 4.394 0.452 25007 3336 1 7 . 1 1 479 479 GLU C C 479 175.936 175.936 175.637 0.299 25007 3337 1 7 . 1 1 479 479 GLU CA C 479 54.505 54.505 54.823 -0.318 25007 3338 1 7 . 1 1 479 479 GLU CB C 479 33.938 33.938 30.878 3.060 25007 3339 1 7 . 1 1 479 479 GLU H H 479 6.771 6.771 7.909 -1.138 25007 3340 1 7 . 1 1 480 480 GLU N N 480 124.445 124.445 125.909 -1.464 25007 3341 1 7 . 1 1 480 480 GLU HA H 480 4.402 4.402 4.246 0.156 25007 3342 1 7 . 1 1 480 480 GLU C C 480 176.539 176.539 176.800 -0.261 25007 3343 1 7 . 1 1 480 480 GLU CA C 480 57.860 57.860 56.565 1.295 25007 3344 1 7 . 1 1 480 480 GLU CB C 480 30.072 30.072 29.494 0.578 25007 3345 1 7 . 1 1 480 480 GLU H H 480 9.224 9.224 8.841 0.383 25007 3346 1 7 . 1 1 481 481 GLY C C 481 174.358 174.358 174.518 -0.160 25007 3347 1 7 . 1 1 481 481 GLY CA C 481 45.799 45.799 45.337 0.462 25007 3348 1 7 . 1 1 482 482 ALA N N 482 121.272 121.272 123.202 -1.930 25007 3349 1 7 . 1 1 482 482 ALA HA H 482 4.369 4.369 4.559 -0.190 25007 3350 1 7 . 1 1 482 482 ALA C C 482 177.182 177.182 177.130 0.052 25007 3351 1 7 . 1 1 482 482 ALA CA C 482 52.389 52.389 52.264 0.125 25007 3352 1 7 . 1 1 482 482 ALA CB C 482 20.558 20.558 19.875 0.683 25007 3353 1 7 . 1 1 482 482 ALA H H 482 7.407 7.407 7.362 0.045 25007 3354 1 7 . 1 1 483 483 GLN N N 483 121.348 121.348 122.664 -1.316 25007 3355 1 7 . 1 1 483 483 GLN HA H 483 4.434 4.434 4.359 0.075 25007 3356 1 7 . 1 1 483 483 GLN C C 483 175.702 175.702 174.551 1.151 25007 3357 1 7 . 1 1 483 483 GLN CA C 483 55.355 55.355 55.309 0.046 25007 3358 1 7 . 1 1 483 483 GLN CB C 483 28.785 28.785 28.218 0.567 25007 3359 1 7 . 1 1 483 483 GLN H H 483 8.508 8.508 8.715 -0.207 25007 3360 1 7 . 1 1 484 484 VAL N N 484 118.367 118.367 119.302 -0.935 25007 3361 1 7 . 1 1 484 484 VAL HA H 484 4.907 4.907 4.480 0.427 25007 3362 1 7 . 1 1 484 484 VAL C C 484 174.865 174.865 174.578 0.287 25007 3363 1 7 . 1 1 484 484 VAL CA C 484 58.403 58.403 59.984 -1.581 25007 3364 1 7 . 1 1 484 484 VAL CB C 484 34.477 34.477 35.107 -0.630 25007 3365 1 7 . 1 1 484 484 VAL H H 484 8.269 8.269 7.973 0.296 25007 3366 1 7 . 1 1 485 485 LYS N N 485 119.929 119.929 119.684 0.245 25007 3367 1 7 . 1 1 485 485 LYS HA H 485 4.586 4.586 4.706 -0.120 25007 3368 1 7 . 1 1 485 485 LYS C C 485 173.947 173.947 174.978 -1.031 25007 3369 1 7 . 1 1 485 485 LYS CA C 485 54.986 54.986 54.562 0.423 25007 3370 1 7 . 1 1 485 485 LYS CB C 485 36.634 36.634 35.639 0.995 25007 3371 1 7 . 1 1 485 485 LYS H H 485 8.013 8.013 8.192 -0.179 25007 3372 1 7 . 1 1 486 486 TRP N N 486 123.614 123.614 120.552 3.062 25007 3373 1 7 . 1 1 486 486 TRP HA H 486 5.602 5.602 4.843 0.759 25007 3374 1 7 . 1 1 486 486 TRP C C 486 175.998 175.998 175.532 0.466 25007 3375 1 7 . 1 1 486 486 TRP CA C 486 55.808 55.808 56.812 -1.004 25007 3376 1 7 . 1 1 486 486 TRP CB C 486 32.003 32.003 31.006 0.997 25007 3377 1 7 . 1 1 486 486 TRP H H 486 8.776 8.776 8.832 -0.056 25007 3378 1 7 . 1 1 487 487 LEU N N 487 121.275 121.275 123.815 -2.540 25007 3379 1 7 . 1 1 487 487 LEU HA H 487 5.181 5.181 5.030 0.151 25007 3380 1 7 . 1 1 487 487 LEU C C 487 175.805 175.805 175.033 0.772 25007 3381 1 7 . 1 1 487 487 LEU CA C 487 53.541 53.541 54.065 -0.524 25007 3382 1 7 . 1 1 487 487 LEU CB C 487 46.105 46.105 45.772 0.333 25007 3383 1 7 . 1 1 487 487 LEU H H 487 9.581 9.581 9.157 0.424 25007 3384 1 7 . 1 1 488 488 LYS N N 488 119.146 119.146 123.412 -4.266 25007 3385 1 7 . 1 1 488 488 LYS HA H 488 4.439 4.439 4.472 -0.033 25007 3386 1 7 . 1 1 488 488 LYS C C 488 176.682 176.682 176.166 0.516 25007 3387 1 7 . 1 1 488 488 LYS CA C 488 55.102 55.102 54.744 0.358 25007 3388 1 7 . 1 1 488 488 LYS CB C 488 35.535 35.535 33.730 1.805 25007 3389 1 7 . 1 1 488 488 LYS H H 488 8.681 8.681 9.074 -0.393 25007 3390 1 7 . 1 1 489 489 ASP N N 489 130.284 130.284 128.332 1.952 25007 3391 1 7 . 1 1 489 489 ASP HA H 489 4.361 4.361 4.350 0.011 25007 3392 1 7 . 1 1 489 489 ASP C C 489 176.145 176.145 176.209 -0.064 25007 3393 1 7 . 1 1 489 489 ASP CA C 489 55.968 55.968 55.535 0.433 25007 3394 1 7 . 1 1 489 489 ASP CB C 489 40.051 40.051 40.095 -0.044 25007 3395 1 7 . 1 1 489 489 ASP H H 489 9.860 9.860 9.376 0.484 25007 3396 1 7 . 1 1 490 490 GLY N N 490 101.712 101.712 103.500 -1.788 25007 3397 1 7 . 1 1 490 490 GLY C C 490 173.542 173.542 174.058 -0.516 25007 3398 1 7 . 1 1 490 490 GLY CA C 490 45.240 45.240 45.063 0.177 25007 3399 1 7 . 1 1 490 490 GLY H H 490 8.668 8.668 8.696 -0.028 25007 3400 1 7 . 1 1 491 491 VAL N N 491 123.365 123.365 122.788 0.577 25007 3401 1 7 . 1 1 491 491 VAL HA H 491 4.168 4.168 4.122 0.046 25007 3402 1 7 . 1 1 491 491 VAL C C 491 175.179 175.179 174.811 0.368 25007 3403 1 7 . 1 1 491 491 VAL CA C 491 61.629 61.629 61.404 0.225 25007 3404 1 7 . 1 1 491 491 VAL CB C 491 33.515 33.515 32.812 0.702 25007 3405 1 7 . 1 1 491 491 VAL H H 491 7.917 7.917 7.630 0.287 25007 3406 1 7 . 1 1 492 492 GLU N N 492 127.979 127.979 128.438 -0.459 25007 3407 1 7 . 1 1 492 492 GLU HA H 492 4.395 4.395 4.369 0.026 25007 3408 1 7 . 1 1 492 492 GLU C C 492 176.695 176.695 176.099 0.596 25007 3409 1 7 . 1 1 492 492 GLU CA C 492 57.585 57.585 56.227 1.358 25007 3410 1 7 . 1 1 492 492 GLU CB C 492 29.870 29.870 30.407 -0.537 25007 3411 1 7 . 1 1 492 492 GLU H H 492 8.759 8.759 8.769 -0.010 25007 3412 1 7 . 1 1 493 493 LEU N N 493 127.568 127.568 128.985 -1.417 25007 3413 1 7 . 1 1 493 493 LEU HA H 493 4.539 4.539 4.493 0.046 25007 3414 1 7 . 1 1 493 493 LEU C C 493 176.807 176.807 176.980 -0.173 25007 3415 1 7 . 1 1 493 493 LEU CA C 493 54.305 54.305 54.360 -0.055 25007 3416 1 7 . 1 1 493 493 LEU CB C 493 41.768 41.768 42.102 -0.334 25007 3417 1 7 . 1 1 493 493 LEU H H 493 8.884 8.884 8.745 0.139 25007 3418 1 7 . 1 1 494 494 THR N N 494 115.006 115.006 118.896 -3.890 25007 3419 1 7 . 1 1 494 494 THR HA H 494 4.462 4.462 4.342 0.120 25007 3420 1 7 . 1 1 494 494 THR C C 494 174.638 174.638 174.616 0.022 25007 3421 1 7 . 1 1 494 494 THR CA C 494 61.263 61.263 61.923 -0.660 25007 3422 1 7 . 1 1 494 494 THR CB C 494 70.112 70.112 69.734 0.378 25007 3423 1 7 . 1 1 494 494 THR H H 494 8.315 8.315 8.539 -0.224 25007 3424 1 7 . 1 1 495 495 ARG N N 495 121.376 121.376 124.035 -2.659 25007 3425 1 7 . 1 1 495 495 ARG HA H 495 4.236 4.236 4.749 -0.513 25007 3426 1 7 . 1 1 495 495 ARG C C 495 176.661 176.661 176.574 0.087 25007 3427 1 7 . 1 1 495 495 ARG CA C 495 56.528 56.528 55.335 1.193 25007 3428 1 7 . 1 1 495 495 ARG CB C 495 29.747 29.747 29.562 0.184 25007 3429 1 7 . 1 1 495 495 ARG H H 495 8.442 8.442 8.437 0.005 25007 3430 1 7 . 1 1 496 496 GLU N N 496 120.213 120.213 119.466 0.747 25007 3431 1 7 . 1 1 496 496 GLU HA H 496 4.300 4.300 4.325 -0.025 25007 3432 1 7 . 1 1 496 496 GLU C C 496 176.615 176.615 176.328 0.287 25007 3433 1 7 . 1 1 496 496 GLU CA C 496 57.036 57.036 57.791 -0.755 25007 3434 1 7 . 1 1 496 496 GLU CB C 496 30.369 30.369 30.334 0.035 25007 3435 1 7 . 1 1 496 496 GLU H H 496 8.230 8.230 8.017 0.213 25007 3436 1 7 . 1 1 497 497 GLU N N 497 120.969 120.969 118.059 2.910 25007 3437 1 7 . 1 1 497 497 GLU HA H 497 4.432 4.432 4.487 -0.056 25007 3438 1 7 . 1 1 497 497 GLU C C 497 176.587 176.587 175.038 1.549 25007 3439 1 7 . 1 1 497 497 GLU CA C 497 56.731 56.731 55.623 1.108 25007 3440 1 7 . 1 1 497 497 GLU CB C 497 29.467 29.467 31.687 -2.220 25007 3441 1 7 . 1 1 497 497 GLU H H 497 8.286 8.286 7.848 0.438 25007 3442 1 7 . 1 1 498 498 THR N N 498 114.281 114.281 113.929 0.352 25007 3443 1 7 . 1 1 498 498 THR HA H 498 4.540 4.540 4.658 -0.118 25007 3444 1 7 . 1 1 498 498 THR C C 498 174.512 174.512 173.226 1.286 25007 3445 1 7 . 1 1 498 498 THR CA C 498 61.494 61.494 61.404 0.090 25007 3446 1 7 . 1 1 498 498 THR CB C 498 70.298 70.298 70.032 0.266 25007 3447 1 7 . 1 1 498 498 THR H H 498 8.192 8.192 7.908 0.284 25007 3448 1 7 . 1 1 499 499 PHE N N 499 119.424 119.424 122.724 -3.300 25007 3449 1 7 . 1 1 499 499 PHE HA H 499 4.557 4.557 4.611 -0.054 25007 3450 1 7 . 1 1 499 499 PHE C C 499 176.196 176.196 176.566 -0.370 25007 3451 1 7 . 1 1 499 499 PHE CA C 499 58.536 58.536 59.090 -0.554 25007 3452 1 7 . 1 1 499 499 PHE CB C 499 38.497 38.497 39.889 -1.392 25007 3453 1 7 . 1 1 499 499 PHE H H 499 8.191 8.191 8.541 -0.350 25007 3454 1 7 . 1 1 500 500 LYS N N 500 120.866 120.866 117.849 3.017 25007 3455 1 7 . 1 1 500 500 LYS HA H 500 4.011 4.011 4.146 -0.135 25007 3456 1 7 . 1 1 500 500 LYS C C 500 175.712 175.712 174.822 0.890 25007 3457 1 7 . 1 1 500 500 LYS CA C 500 57.773 57.773 57.874 -0.101 25007 3458 1 7 . 1 1 500 500 LYS CB C 500 33.363 33.363 33.020 0.343 25007 3459 1 7 . 1 1 500 500 LYS H H 500 7.848 7.848 8.242 -0.394 25007 3460 1 7 . 1 1 501 501 TYR N N 501 114.937 114.937 115.840 -0.903 25007 3461 1 7 . 1 1 501 501 TYR HA H 501 5.313 5.313 5.552 -0.239 25007 3462 1 7 . 1 1 501 501 TYR C C 501 175.113 175.113 174.677 0.436 25007 3463 1 7 . 1 1 501 501 TYR CA C 501 55.044 55.044 55.985 -0.941 25007 3464 1 7 . 1 1 501 501 TYR CB C 501 41.727 41.727 41.963 -0.236 25007 3465 1 7 . 1 1 501 501 TYR H H 501 7.214 7.214 7.364 -0.150 25007 3466 1 7 . 1 1 502 502 ARG N N 502 119.116 119.116 118.242 0.874 25007 3467 1 7 . 1 1 502 502 ARG HA H 502 4.543 4.543 4.530 0.013 25007 3468 1 7 . 1 1 502 502 ARG C C 502 173.549 173.549 174.119 -0.570 25007 3469 1 7 . 1 1 502 502 ARG CA C 502 54.462 54.462 54.662 -0.200 25007 3470 1 7 . 1 1 502 502 ARG CB C 502 32.980 32.980 33.741 -0.761 25007 3471 1 7 . 1 1 502 502 ARG H H 502 8.663 8.663 8.067 0.596 25007 3472 1 7 . 1 1 503 503 PHE N N 503 121.105 121.105 125.214 -4.109 25007 3473 1 7 . 1 1 503 503 PHE HA H 503 5.281 5.281 4.929 0.352 25007 3474 1 7 . 1 1 503 503 PHE C C 503 176.268 176.268 176.275 -0.007 25007 3475 1 7 . 1 1 503 503 PHE CA C 503 55.736 55.736 57.645 -1.909 25007 3476 1 7 . 1 1 503 503 PHE CB C 503 41.345 41.345 39.392 1.953 25007 3477 1 7 . 1 1 503 503 PHE H H 503 8.691 8.691 8.672 0.019 25007 3478 1 7 . 1 1 504 504 LYS N N 504 121.191 121.191 126.459 -5.268 25007 3479 1 7 . 1 1 504 504 LYS HA H 504 4.892 4.892 4.734 0.158 25007 3480 1 7 . 1 1 504 504 LYS C C 504 174.929 174.929 175.327 -0.398 25007 3481 1 7 . 1 1 504 504 LYS CA C 504 55.269 55.269 55.040 0.229 25007 3482 1 7 . 1 1 504 504 LYS CB C 504 36.405 36.405 33.983 2.422 25007 3483 1 7 . 1 1 504 504 LYS H H 504 8.914 8.914 8.952 -0.038 25007 3484 1 7 . 1 1 505 505 LYS N N 505 126.575 126.575 126.168 0.407 25007 3485 1 7 . 1 1 505 505 LYS HA H 505 4.860 4.860 4.154 0.706 25007 3486 1 7 . 1 1 505 505 LYS C C 505 174.542 174.542 176.112 -1.570 25007 3487 1 7 . 1 1 505 505 LYS CA C 505 55.484 55.484 56.393 -0.909 25007 3488 1 7 . 1 1 505 505 LYS CB C 505 34.831 34.831 33.172 1.659 25007 3489 1 7 . 1 1 505 505 LYS H H 505 8.822 8.822 8.861 -0.039 25007 3490 1 7 . 1 1 506 506 ASP N N 506 125.932 125.932 128.284 -2.352 25007 3491 1 7 . 1 1 506 506 ASP HA H 506 4.814 4.814 4.829 -0.014 25007 3492 1 7 . 1 1 506 506 ASP C C 506 176.075 176.075 175.885 0.190 25007 3493 1 7 . 1 1 506 506 ASP CA C 506 52.597 52.597 53.562 -0.965 25007 3494 1 7 . 1 1 506 506 ASP CB C 506 41.813 41.813 42.062 -0.249 25007 3495 1 7 . 1 1 506 506 ASP H H 506 8.911 8.911 8.133 0.778 25007 3496 1 7 . 1 1 507 507 GLY N N 507 114.443 114.443 111.668 2.775 25007 3497 1 7 . 1 1 507 507 GLY C C 507 175.318 175.318 175.142 0.176 25007 3498 1 7 . 1 1 507 507 GLY CA C 507 47.542 47.542 46.371 1.171 25007 3499 1 7 . 1 1 507 507 GLY H H 507 8.989 8.989 8.329 0.660 25007 3500 1 7 . 1 1 508 508 GLN N N 508 128.587 128.587 123.889 4.698 25007 3501 1 7 . 1 1 508 508 GLN HA H 508 4.546 4.546 4.421 0.125 25007 3502 1 7 . 1 1 508 508 GLN C C 508 174.087 174.087 175.795 -1.708 25007 3503 1 7 . 1 1 508 508 GLN CA C 508 57.107 57.107 56.444 0.663 25007 3504 1 7 . 1 1 508 508 GLN CB C 508 30.198 30.198 29.060 1.138 25007 3505 1 7 . 1 1 508 508 GLN H H 508 9.426 9.426 8.589 0.837 25007 3506 1 7 . 1 1 509 509 ARG N N 509 120.282 120.282 117.726 2.556 25007 3507 1 7 . 1 1 509 509 ARG HA H 509 4.971 4.971 5.400 -0.429 25007 3508 1 7 . 1 1 509 509 ARG C C 509 174.531 174.531 174.521 0.010 25007 3509 1 7 . 1 1 509 509 ARG CA C 509 56.149 56.149 53.932 2.217 25007 3510 1 7 . 1 1 509 509 ARG CB C 509 31.984 31.984 33.718 -1.734 25007 3511 1 7 . 1 1 509 509 ARG H H 509 8.185 8.185 7.645 0.540 25007 3512 1 7 . 1 1 510 510 HIS N N 510 122.738 122.738 119.598 3.140 25007 3513 1 7 . 1 1 510 510 HIS HA H 510 5.128 5.128 5.386 -0.258 25007 3514 1 7 . 1 1 510 510 HIS C C 510 174.763 174.763 174.740 0.023 25007 3515 1 7 . 1 1 510 510 HIS CA C 510 56.499 56.499 54.480 2.019 25007 3516 1 7 . 1 1 510 510 HIS CB C 510 35.219 35.219 32.913 2.306 25007 3517 1 7 . 1 1 510 510 HIS H H 510 8.766 8.766 9.038 -0.272 25007 3518 1 7 . 1 1 511 511 HIS N N 511 118.975 118.975 124.316 -5.341 25007 3519 1 7 . 1 1 511 511 HIS HA H 511 6.074 6.074 5.235 0.839 25007 3520 1 7 . 1 1 511 511 HIS C C 511 173.805 173.805 173.796 0.009 25007 3521 1 7 . 1 1 511 511 HIS CA C 511 53.886 53.886 55.244 -1.358 25007 3522 1 7 . 1 1 511 511 HIS CB C 511 33.159 33.159 30.583 2.576 25007 3523 1 7 . 1 1 511 511 HIS H H 511 9.314 9.314 9.220 0.094 25007 3524 1 7 . 1 1 512 512 LEU N N 512 125.887 125.887 128.395 -2.508 25007 3525 1 7 . 1 1 512 512 LEU HA H 512 4.382 4.382 4.720 -0.338 25007 3526 1 7 . 1 1 512 512 LEU C C 512 174.018 174.018 174.257 -0.239 25007 3527 1 7 . 1 1 512 512 LEU CA C 512 54.038 54.038 53.379 0.659 25007 3528 1 7 . 1 1 512 512 LEU CB C 512 42.246 42.246 43.531 -1.285 25007 3529 1 7 . 1 1 512 512 LEU H H 512 8.403 8.403 8.847 -0.444 25007 3530 1 7 . 1 1 513 513 ILE N N 513 127.359 127.359 128.683 -1.324 25007 3531 1 7 . 1 1 513 513 ILE HA H 513 4.953 4.953 5.035 -0.082 25007 3532 1 7 . 1 1 513 513 ILE C C 513 175.456 175.456 173.972 1.484 25007 3533 1 7 . 1 1 513 513 ILE CA C 513 59.184 59.184 58.518 0.666 25007 3534 1 7 . 1 1 513 513 ILE CB C 513 40.899 40.899 41.264 -0.365 25007 3535 1 7 . 1 1 513 513 ILE H H 513 8.885 8.885 8.187 0.698 25007 3536 1 7 . 1 1 514 514 ILE N N 514 126.969 126.969 130.282 -3.313 25007 3537 1 7 . 1 1 514 514 ILE HA H 514 4.391 4.391 4.846 -0.455 25007 3538 1 7 . 1 1 514 514 ILE C C 514 175.544 175.544 175.982 -0.438 25007 3539 1 7 . 1 1 514 514 ILE CA C 514 60.181 60.181 60.432 -0.251 25007 3540 1 7 . 1 1 514 514 ILE CB C 514 39.580 39.580 38.067 1.513 25007 3541 1 7 . 1 1 514 514 ILE H H 514 8.929 8.929 8.988 -0.059 25007 3542 1 7 . 1 1 515 515 ASN N N 515 124.537 124.537 126.819 -2.282 25007 3543 1 7 . 1 1 515 515 ASN HA H 515 4.187 4.187 4.565 -0.378 25007 3544 1 7 . 1 1 515 515 ASN C C 515 174.955 174.955 175.394 -0.439 25007 3545 1 7 . 1 1 515 515 ASN CA C 515 57.082 57.082 55.332 1.750 25007 3546 1 7 . 1 1 515 515 ASN CB C 515 38.847 38.847 39.059 -0.212 25007 3547 1 7 . 1 1 515 515 ASN H H 515 8.112 8.112 9.008 -0.896 25007 3548 1 7 . 1 1 516 516 GLU N N 516 117.395 117.395 119.824 -2.429 25007 3549 1 7 . 1 1 516 516 GLU HA H 516 3.780 3.780 4.465 -0.685 25007 3550 1 7 . 1 1 516 516 GLU C C 516 173.992 173.992 174.499 -0.507 25007 3551 1 7 . 1 1 516 516 GLU CA C 516 55.067 55.067 55.250 -0.183 25007 3552 1 7 . 1 1 516 516 GLU CB C 516 31.592 31.592 31.018 0.574 25007 3553 1 7 . 1 1 516 516 GLU H H 516 8.156 8.156 7.489 0.667 25007 3554 1 7 . 1 1 517 517 ALA N N 517 125.988 125.988 128.748 -2.760 25007 3555 1 7 . 1 1 517 517 ALA HA H 517 4.145 4.145 4.662 -0.517 25007 3556 1 7 . 1 1 517 517 ALA C C 517 177.314 177.314 176.094 1.220 25007 3557 1 7 . 1 1 517 517 ALA CA C 517 53.495 53.495 51.148 2.347 25007 3558 1 7 . 1 1 517 517 ALA CB C 517 18.842 18.842 20.931 -2.089 25007 3559 1 7 . 1 1 517 517 ALA H H 517 8.703 8.703 8.553 0.150 25007 3560 1 7 . 1 1 518 518 MET N N 518 123.199 123.199 120.210 2.989 25007 3561 1 7 . 1 1 518 518 MET HA H 518 4.845 4.845 4.813 0.032 25007 3562 1 7 . 1 1 518 518 MET C C 518 177.647 177.647 176.252 1.395 25007 3563 1 7 . 1 1 518 518 MET CA C 518 53.070 53.070 53.328 -0.258 25007 3564 1 7 . 1 1 518 518 MET CB C 518 35.877 35.877 36.105 -0.228 25007 3565 1 7 . 1 1 518 518 MET H H 518 9.802 9.802 8.650 1.152 25007 3566 1 7 . 1 1 519 519 LEU N N 519 123.266 123.266 122.161 1.105 25007 3567 1 7 . 1 1 519 519 LEU HA H 519 3.822 3.822 4.115 -0.293 25007 3568 1 7 . 1 1 519 519 LEU C C 519 180.760 180.760 179.359 1.401 25007 3569 1 7 . 1 1 519 519 LEU CA C 519 59.358 59.358 58.565 0.793 25007 3570 1 7 . 1 1 519 519 LEU CB C 519 40.910 40.910 40.719 0.191 25007 3571 1 7 . 1 1 519 519 LEU H H 519 9.097 9.097 8.523 0.574 25007 3572 1 7 . 1 1 520 520 GLU N N 520 115.379 115.379 117.048 -1.669 25007 3573 1 7 . 1 1 520 520 GLU HA H 520 4.243 4.243 4.196 0.047 25007 3574 1 7 . 1 1 520 520 GLU C C 520 176.447 176.447 176.733 -0.286 25007 3575 1 7 . 1 1 520 520 GLU CA C 520 58.255 58.255 57.544 0.711 25007 3576 1 7 . 1 1 520 520 GLU CB C 520 28.497 28.497 29.469 -0.972 25007 3577 1 7 . 1 1 520 520 GLU H H 520 9.071 9.071 8.408 0.663 25007 3578 1 7 . 1 1 521 521 ASP N N 521 117.057 117.057 117.740 -0.683 25007 3579 1 7 . 1 1 521 521 ASP HA H 521 4.650 4.650 4.545 0.105 25007 3580 1 7 . 1 1 521 521 ASP C C 521 176.747 176.747 177.338 -0.591 25007 3581 1 7 . 1 1 521 521 ASP CA C 521 55.790 55.790 55.515 0.275 25007 3582 1 7 . 1 1 521 521 ASP CB C 521 40.882 40.882 40.993 -0.111 25007 3583 1 7 . 1 1 521 521 ASP H H 521 8.089 8.089 8.151 -0.062 25007 3584 1 7 . 1 1 522 522 ALA N N 522 123.576 123.576 121.469 2.107 25007 3585 1 7 . 1 1 522 522 ALA HA H 522 4.138 4.138 4.409 -0.271 25007 3586 1 7 . 1 1 522 522 ALA C C 522 176.493 176.493 178.335 -1.842 25007 3587 1 7 . 1 1 522 522 ALA CA C 522 53.668 53.668 53.754 -0.086 25007 3588 1 7 . 1 1 522 522 ALA CB C 522 19.822 19.822 19.190 0.632 25007 3589 1 7 . 1 1 522 522 ALA H H 522 7.560 7.560 7.281 0.279 25007 3590 1 7 . 1 1 523 523 GLY N N 523 107.939 107.939 107.323 0.616 25007 3591 1 7 . 1 1 523 523 GLY C C 523 171.581 171.581 172.802 -1.221 25007 3592 1 7 . 1 1 523 523 GLY CA C 523 44.966 44.966 45.451 -0.485 25007 3593 1 7 . 1 1 523 523 GLY H H 523 8.486 8.486 7.761 0.725 25007 3594 1 7 . 1 1 524 524 HIS N N 524 119.624 119.624 119.353 0.271 25007 3595 1 7 . 1 1 524 524 HIS HA H 524 5.284 5.284 5.195 0.089 25007 3596 1 7 . 1 1 524 524 HIS C C 524 174.529 174.529 174.465 0.064 25007 3597 1 7 . 1 1 524 524 HIS CA C 524 55.966 55.966 54.833 1.133 25007 3598 1 7 . 1 1 524 524 HIS CB C 524 29.911 29.911 30.795 -0.884 25007 3599 1 7 . 1 1 524 524 HIS H H 524 9.138 9.138 8.328 0.810 25007 3600 1 7 . 1 1 525 525 TYR N N 525 127.402 127.402 126.752 0.650 25007 3601 1 7 . 1 1 525 525 TYR HA H 525 5.188 5.188 5.016 0.172 25007 3602 1 7 . 1 1 525 525 TYR C C 525 173.765 173.765 174.548 -0.783 25007 3603 1 7 . 1 1 525 525 TYR CA C 525 57.235 57.235 58.503 -1.268 25007 3604 1 7 . 1 1 525 525 TYR CB C 525 40.847 40.847 39.416 1.431 25007 3605 1 7 . 1 1 525 525 TYR H H 525 9.571 9.571 8.343 1.228 25007 3606 1 7 . 1 1 526 526 ALA N N 526 121.895 121.895 126.364 -4.469 25007 3607 1 7 . 1 1 526 526 ALA HA H 526 5.595 5.595 5.096 0.499 25007 3608 1 7 . 1 1 526 526 ALA C C 526 175.256 175.256 174.877 0.379 25007 3609 1 7 . 1 1 526 526 ALA CA C 526 49.674 49.674 50.189 -0.515 25007 3610 1 7 . 1 1 526 526 ALA CB C 526 24.106 24.106 22.512 1.594 25007 3611 1 7 . 1 1 526 526 ALA H H 526 9.096 9.096 9.425 -0.329 25007 3612 1 7 . 1 1 527 527 LEU N N 527 121.830 121.830 124.840 -3.010 25007 3613 1 7 . 1 1 527 527 LEU HA H 527 4.566 4.566 4.255 0.311 25007 3614 1 7 . 1 1 527 527 LEU C C 527 175.945 175.945 174.931 1.014 25007 3615 1 7 . 1 1 527 527 LEU CA C 527 52.867 52.867 53.937 -1.070 25007 3616 1 7 . 1 1 527 527 LEU CB C 527 42.946 42.946 43.282 -0.336 25007 3617 1 7 . 1 1 527 527 LEU H H 527 8.164 8.164 7.910 0.254 25007 3618 1 7 . 1 1 528 528 CYS N N 528 122.905 122.905 127.540 -4.635 25007 3619 1 7 . 1 1 528 528 CYS HA H 528 4.983 4.983 4.576 0.407 25007 3620 1 7 . 1 1 528 528 CYS C C 528 174.337 174.337 174.281 0.056 25007 3621 1 7 . 1 1 528 528 CYS CA C 528 57.228 57.228 58.065 -0.837 25007 3622 1 7 . 1 1 528 528 CYS CB C 528 29.887 29.887 27.002 2.885 25007 3623 1 7 . 1 1 528 528 CYS H H 528 8.974 8.974 8.651 0.323 25007 3624 1 7 . 1 1 529 529 THR N N 529 116.293 116.293 117.644 -1.351 25007 3625 1 7 . 1 1 529 529 THR HA H 529 4.693 4.693 4.702 -0.009 25007 3626 1 7 . 1 1 529 529 THR C C 529 175.292 175.292 175.051 0.241 25007 3627 1 7 . 1 1 529 529 THR CA C 529 59.531 59.531 59.428 0.103 25007 3628 1 7 . 1 1 529 529 THR CB C 529 71.282 71.282 70.762 0.520 25007 3629 1 7 . 1 1 529 529 THR H H 529 8.660 8.660 7.883 0.777 25007 3630 1 7 . 1 1 530 530 SER N N 530 115.090 115.090 115.515 -0.425 25007 3631 1 7 . 1 1 530 530 SER HA H 530 4.255 4.255 4.263 -0.008 25007 3632 1 7 . 1 1 530 530 SER C C 530 175.719 175.719 174.984 0.735 25007 3633 1 7 . 1 1 530 530 SER CA C 530 59.970 59.970 59.771 0.199 25007 3634 1 7 . 1 1 530 530 SER CB C 530 62.914 62.914 62.886 0.028 25007 3635 1 7 . 1 1 530 530 SER H H 530 9.373 9.373 8.710 0.663 25007 3636 1 7 . 1 1 531 531 GLY N N 531 108.629 108.629 106.720 1.909 25007 3637 1 7 . 1 1 531 531 GLY C C 531 173.708 173.708 173.946 -0.238 25007 3638 1 7 . 1 1 531 531 GLY CA C 531 45.032 45.032 44.713 0.319 25007 3639 1 7 . 1 1 531 531 GLY H H 531 8.145 8.145 7.271 0.874 25007 3640 1 7 . 1 1 532 532 GLY N N 532 109.085 109.085 107.575 1.510 25007 3641 1 7 . 1 1 532 532 GLY C C 532 170.571 170.571 172.673 -2.102 25007 3642 1 7 . 1 1 532 532 GLY CA C 532 45.443 45.443 43.669 1.774 25007 3643 1 7 . 1 1 532 532 GLY H H 532 7.518 7.518 8.384 -0.866 25007 3644 1 7 . 1 1 533 533 GLN N N 533 116.769 116.769 120.867 -4.098 25007 3645 1 7 . 1 1 533 533 GLN HA H 533 5.329 5.329 4.735 0.594 25007 3646 1 7 . 1 1 533 533 GLN C C 533 174.087 174.087 174.668 -0.581 25007 3647 1 7 . 1 1 533 533 GLN CA C 533 54.453 54.453 54.567 -0.114 25007 3648 1 7 . 1 1 533 533 GLN CB C 533 32.474 32.474 32.248 0.225 25007 3649 1 7 . 1 1 533 533 GLN H H 533 8.302 8.302 8.239 0.063 25007 3650 1 7 . 1 1 534 534 ALA N N 534 126.978 126.978 127.477 -0.499 25007 3651 1 7 . 1 1 534 534 ALA HA H 534 4.845 4.845 4.607 0.238 25007 3652 1 7 . 1 1 534 534 ALA C C 534 174.509 174.509 174.500 0.009 25007 3653 1 7 . 1 1 534 534 ALA CA C 534 50.792 50.792 52.077 -1.284 25007 3654 1 7 . 1 1 534 534 ALA CB C 534 22.023 22.023 21.601 0.422 25007 3655 1 7 . 1 1 534 534 ALA H H 534 8.863 8.863 8.818 0.045 25007 3656 1 7 . 1 1 535 535 LEU N N 535 122.725 122.725 122.495 0.230 25007 3657 1 7 . 1 1 535 535 LEU HA H 535 5.386 5.386 5.268 0.118 25007 3658 1 7 . 1 1 535 535 LEU C C 535 176.477 176.477 175.058 1.419 25007 3659 1 7 . 1 1 535 535 LEU CA C 535 54.253 54.253 53.605 0.648 25007 3660 1 7 . 1 1 535 535 LEU CB C 535 46.315 46.315 45.329 0.986 25007 3661 1 7 . 1 1 535 535 LEU H H 535 8.438 8.438 8.255 0.183 25007 3662 1 7 . 1 1 536 536 ALA N N 536 125.405 125.405 128.457 -3.052 25007 3663 1 7 . 1 1 536 536 ALA HA H 536 4.740 4.740 4.827 -0.087 25007 3664 1 7 . 1 1 536 536 ALA C C 536 174.310 174.310 174.793 -0.483 25007 3665 1 7 . 1 1 536 536 ALA CA C 536 51.928 51.928 51.304 0.624 25007 3666 1 7 . 1 1 536 536 ALA CB C 536 24.477 24.477 22.728 1.749 25007 3667 1 7 . 1 1 536 536 ALA H H 536 9.336 9.336 9.152 0.184 25007 3668 1 7 . 1 1 537 537 GLU N N 537 121.895 121.895 120.664 1.231 25007 3669 1 7 . 1 1 537 537 GLU HA H 537 4.919 4.919 4.664 0.255 25007 3670 1 7 . 1 1 537 537 GLU C C 537 174.790 174.790 174.945 -0.155 25007 3671 1 7 . 1 1 537 537 GLU CA C 537 54.758 54.758 55.554 -0.796 25007 3672 1 7 . 1 1 537 537 GLU CB C 537 32.505 32.505 32.673 -0.168 25007 3673 1 7 . 1 1 537 537 GLU H H 537 9.296 9.296 8.808 0.488 25007 3674 1 7 . 1 1 538 538 LEU N N 538 125.064 125.064 129.300 -4.236 25007 3675 1 7 . 1 1 538 538 LEU HA H 538 5.365 5.365 4.817 0.548 25007 3676 1 7 . 1 1 538 538 LEU C C 538 175.931 175.931 175.484 0.447 25007 3677 1 7 . 1 1 538 538 LEU CA C 538 53.389 53.389 54.098 -0.709 25007 3678 1 7 . 1 1 538 538 LEU CB C 538 45.315 45.315 44.043 1.272 25007 3679 1 7 . 1 1 538 538 LEU H H 538 9.274 9.274 7.968 1.306 25007 3680 1 7 . 1 1 539 539 ILE N N 539 130.885 130.885 127.422 3.463 25007 3681 1 7 . 1 1 539 539 ILE HA H 539 4.282 4.282 4.338 -0.056 25007 3682 1 7 . 1 1 539 539 ILE C C 539 173.958 173.958 174.435 -0.477 25007 3683 1 7 . 1 1 539 539 ILE CA C 539 61.171 61.171 60.559 0.612 25007 3684 1 7 . 1 1 539 539 ILE CB C 539 39.901 39.901 39.345 0.556 25007 3685 1 7 . 1 1 539 539 ILE H H 539 8.867 8.867 8.630 0.237 25007 3686 1 7 . 1 1 540 540 VAL N N 540 125.478 125.478 127.189 -1.711 25007 3687 1 7 . 1 1 540 540 VAL HA H 540 4.770 4.770 5.236 -0.466 25007 3688 1 7 . 1 1 540 540 VAL C C 540 174.948 174.948 175.941 -0.993 25007 3689 1 7 . 1 1 540 540 VAL CA C 540 60.316 60.316 60.779 -0.463 25007 3690 1 7 . 1 1 540 540 VAL CB C 540 33.691 33.691 33.752 -0.060 25007 3691 1 7 . 1 1 540 540 VAL H H 540 7.880 7.880 8.643 -0.763 25007 3692 1 7 . 1 1 541 541 GLN N N 541 126.082 126.082 125.742 0.340 25007 3693 1 7 . 1 1 541 541 GLN HA H 541 4.618 4.618 4.625 -0.007 25007 3694 1 7 . 1 1 541 541 GLN C C 541 174.952 174.952 174.529 0.423 25007 3695 1 7 . 1 1 541 541 GLN CA C 541 54.372 54.372 53.581 0.791 25007 3696 1 7 . 1 1 541 541 GLN CB C 541 31.571 31.571 31.488 0.083 25007 3697 1 7 . 1 1 541 541 GLN H H 541 9.066 9.066 8.207 0.859 25007 3698 1 7 . 1 1 542 542 GLU N N 542 122.178 122.178 121.806 0.372 25007 3699 1 7 . 1 1 542 542 GLU HA H 542 4.312 4.312 4.312 -0.000 25007 3700 1 7 . 1 1 542 542 GLU C C 542 175.419 175.419 175.962 -0.543 25007 3701 1 7 . 1 1 542 542 GLU CA C 542 57.108 57.108 56.777 0.331 25007 3702 1 7 . 1 1 542 542 GLU CB C 542 31.266 31.266 28.786 2.480 25007 3703 1 7 . 1 1 542 542 GLU H H 542 8.742 8.742 8.755 -0.013 25007 3704 1 8 . 1 1 451 451 HIS HA H 451 4.656 4.656 4.989 -0.333 25007 3705 1 8 . 1 1 451 451 HIS C C 451 174.793 174.793 174.295 0.498 25007 3706 1 8 . 1 1 451 451 HIS CA C 451 55.947 55.947 55.345 0.602 25007 3707 1 8 . 1 1 451 451 HIS CB C 451 29.903 29.903 30.827 -0.924 25007 3708 1 8 . 1 1 452 452 MET N N 452 123.193 123.193 122.477 0.716 25007 3709 1 8 . 1 1 452 452 MET C C 452 173.991 173.991 174.392 -0.401 25007 3710 1 8 . 1 1 452 452 MET CA C 452 53.192 53.192 53.126 0.066 25007 3711 1 8 . 1 1 452 452 MET CB C 452 31.977 31.977 32.159 -0.182 25007 3712 1 8 . 1 1 452 452 MET H H 452 8.342 8.342 8.335 0.007 25007 3713 1 8 . 1 1 453 453 PRO HA H 453 4.293 4.293 4.377 -0.084 25007 3714 1 8 . 1 1 453 453 PRO C C 453 175.733 175.733 176.132 -0.399 25007 3715 1 8 . 1 1 453 453 PRO CA C 453 62.734 62.734 62.166 0.569 25007 3716 1 8 . 1 1 453 453 PRO CB C 453 32.139 32.139 32.264 -0.125 25007 3717 1 8 . 1 1 454 454 VAL N N 454 122.227 122.227 122.139 0.088 25007 3718 1 8 . 1 1 454 454 VAL HA H 454 3.732 3.732 3.914 -0.182 25007 3719 1 8 . 1 1 454 454 VAL C C 454 175.296 175.296 175.314 -0.018 25007 3720 1 8 . 1 1 454 454 VAL CA C 454 63.126 63.126 62.204 0.922 25007 3721 1 8 . 1 1 454 454 VAL CB C 454 32.085 32.085 31.442 0.643 25007 3722 1 8 . 1 1 454 454 VAL H H 454 7.799 7.799 8.362 -0.563 25007 3723 1 8 . 1 1 455 455 LEU N N 455 129.419 129.419 128.169 1.250 25007 3724 1 8 . 1 1 455 455 LEU HA H 455 4.435 4.435 4.569 -0.134 25007 3725 1 8 . 1 1 455 455 LEU C C 455 176.294 176.294 175.409 0.885 25007 3726 1 8 . 1 1 455 455 LEU CA C 455 52.797 52.797 53.836 -1.038 25007 3727 1 8 . 1 1 455 455 LEU CB C 455 43.631 43.631 44.628 -0.997 25007 3728 1 8 . 1 1 455 455 LEU H H 455 8.571 8.571 7.621 0.950 25007 3729 1 8 . 1 1 456 456 ILE N N 456 120.867 120.867 121.592 -0.725 25007 3730 1 8 . 1 1 456 456 ILE HA H 456 4.229 4.229 4.742 -0.513 25007 3731 1 8 . 1 1 456 456 ILE C C 456 176.619 176.619 176.606 0.013 25007 3732 1 8 . 1 1 456 456 ILE CA C 456 60.780 60.780 61.141 -0.361 25007 3733 1 8 . 1 1 456 456 ILE CB C 456 36.796 36.796 38.158 -1.362 25007 3734 1 8 . 1 1 456 456 ILE H H 456 8.507 8.507 8.470 0.037 25007 3735 1 8 . 1 1 457 457 THR N N 457 120.915 120.915 121.290 -0.375 25007 3736 1 8 . 1 1 457 457 THR HA H 457 4.285 4.285 4.270 0.015 25007 3737 1 8 . 1 1 457 457 THR C C 457 175.963 175.963 175.148 0.815 25007 3738 1 8 . 1 1 457 457 THR CA C 457 62.753 62.753 62.567 0.186 25007 3739 1 8 . 1 1 457 457 THR CB C 457 67.879 67.879 69.545 -1.666 25007 3740 1 8 . 1 1 457 457 THR H H 457 8.657 8.657 8.827 -0.170 25007 3741 1 8 . 1 1 458 458 ARG N N 458 122.699 122.699 123.904 -1.205 25007 3742 1 8 . 1 1 458 458 ARG HA H 458 4.923 4.923 4.806 0.117 25007 3743 1 8 . 1 1 458 458 ARG C C 458 173.213 173.213 174.207 -0.994 25007 3744 1 8 . 1 1 458 458 ARG CA C 458 53.918 53.918 52.660 1.258 25007 3745 1 8 . 1 1 458 458 ARG CB C 458 32.559 32.559 31.004 1.555 25007 3746 1 8 . 1 1 458 458 ARG H H 458 7.552 7.552 7.556 -0.004 25007 3747 1 8 . 1 1 459 459 PRO HA H 459 4.298 4.298 4.407 -0.108 25007 3748 1 8 . 1 1 459 459 PRO C C 459 175.741 175.741 176.456 -0.715 25007 3749 1 8 . 1 1 459 459 PRO CA C 459 62.575 62.575 62.552 0.023 25007 3750 1 8 . 1 1 459 459 PRO CB C 459 32.551 32.551 32.207 0.344 25007 3751 1 8 . 1 1 460 460 LEU N N 460 115.474 115.474 121.467 -5.993 25007 3752 1 8 . 1 1 460 460 LEU HA H 460 4.563 4.563 4.546 0.017 25007 3753 1 8 . 1 1 460 460 LEU C C 460 176.142 176.142 178.279 -2.137 25007 3754 1 8 . 1 1 460 460 LEU CA C 460 55.013 55.013 55.036 -0.023 25007 3755 1 8 . 1 1 460 460 LEU CB C 460 45.292 45.292 42.709 2.583 25007 3756 1 8 . 1 1 460 460 LEU H H 460 6.157 6.157 8.438 -2.281 25007 3757 1 8 . 1 1 461 461 GLU N N 461 120.613 120.613 120.400 0.213 25007 3758 1 8 . 1 1 461 461 GLU HA H 461 4.795 4.795 4.248 0.547 25007 3759 1 8 . 1 1 461 461 GLU C C 461 175.540 175.540 176.596 -1.056 25007 3760 1 8 . 1 1 461 461 GLU CA C 461 54.657 54.657 56.739 -2.082 25007 3761 1 8 . 1 1 461 461 GLU CB C 461 32.600 32.600 30.337 2.263 25007 3762 1 8 . 1 1 461 461 GLU H H 461 8.387 8.387 8.799 -0.412 25007 3763 1 8 . 1 1 462 462 ASP N N 462 122.579 122.579 121.232 1.347 25007 3764 1 8 . 1 1 462 462 ASP HA H 462 5.031 5.031 4.666 0.365 25007 3765 1 8 . 1 1 462 462 ASP C C 462 176.359 176.359 175.332 1.027 25007 3766 1 8 . 1 1 462 462 ASP CA C 462 55.433 55.433 54.226 1.207 25007 3767 1 8 . 1 1 462 462 ASP CB C 462 41.069 41.069 41.045 0.024 25007 3768 1 8 . 1 1 462 462 ASP H H 462 8.599 8.599 8.666 -0.067 25007 3769 1 8 . 1 1 463 463 GLN N N 463 117.028 117.028 117.257 -0.229 25007 3770 1 8 . 1 1 463 463 GLN HA H 463 4.667 4.667 4.424 0.243 25007 3771 1 8 . 1 1 463 463 GLN C C 463 173.563 173.563 173.961 -0.398 25007 3772 1 8 . 1 1 463 463 GLN CA C 463 54.227 54.227 54.889 -0.662 25007 3773 1 8 . 1 1 463 463 GLN CB C 463 33.204 33.204 30.718 2.486 25007 3774 1 8 . 1 1 463 463 GLN H H 463 8.755 8.755 7.649 1.106 25007 3775 1 8 . 1 1 464 464 LEU N N 464 127.581 127.581 117.971 9.610 25007 3776 1 8 . 1 1 464 464 LEU HA H 464 5.307 5.307 4.891 0.416 25007 3777 1 8 . 1 1 464 464 LEU C C 464 175.838 175.838 175.464 0.374 25007 3778 1 8 . 1 1 464 464 LEU CA C 464 54.667 54.667 53.802 0.865 25007 3779 1 8 . 1 1 464 464 LEU CB C 464 44.018 44.018 43.851 0.167 25007 3780 1 8 . 1 1 464 464 LEU H H 464 8.415 8.415 8.206 0.209 25007 3781 1 8 . 1 1 465 465 VAL N N 465 119.279 119.279 115.752 3.527 25007 3782 1 8 . 1 1 465 465 VAL HA H 465 4.774 4.774 4.415 0.359 25007 3783 1 8 . 1 1 465 465 VAL C C 465 173.711 173.711 174.345 -0.634 25007 3784 1 8 . 1 1 465 465 VAL CA C 465 58.517 58.517 59.240 -0.723 25007 3785 1 8 . 1 1 465 465 VAL CB C 465 36.110 36.110 35.497 0.613 25007 3786 1 8 . 1 1 465 465 VAL H H 465 8.695 8.695 7.992 0.703 25007 3787 1 8 . 1 1 466 466 MET N N 466 119.214 119.214 118.073 1.141 25007 3788 1 8 . 1 1 466 466 MET HA H 466 5.247 5.247 4.908 0.339 25007 3789 1 8 . 1 1 466 466 MET C C 466 176.491 176.491 176.554 -0.063 25007 3790 1 8 . 1 1 466 466 MET CA C 466 52.783 52.783 53.988 -1.205 25007 3791 1 8 . 1 1 466 466 MET CB C 466 33.609 33.609 34.953 -1.344 25007 3792 1 8 . 1 1 466 466 MET H H 466 8.073 8.073 8.193 -0.120 25007 3793 1 8 . 1 1 467 467 VAL N N 467 119.566 119.566 120.601 -1.035 25007 3794 1 8 . 1 1 467 467 VAL HA H 467 3.420 3.420 4.101 -0.681 25007 3795 1 8 . 1 1 467 467 VAL C C 467 176.899 176.899 177.494 -0.595 25007 3796 1 8 . 1 1 467 467 VAL CA C 467 64.475 64.475 63.590 0.885 25007 3797 1 8 . 1 1 467 467 VAL CB C 467 32.180 32.180 30.892 1.288 25007 3798 1 8 . 1 1 467 467 VAL H H 467 7.891 7.891 7.978 -0.087 25007 3799 1 8 . 1 1 468 468 GLY N N 468 115.391 115.391 113.986 1.405 25007 3800 1 8 . 1 1 468 468 GLY C C 468 174.446 174.446 173.336 1.110 25007 3801 1 8 . 1 1 468 468 GLY CA C 468 44.690 44.690 45.083 -0.393 25007 3802 1 8 . 1 1 468 468 GLY H H 468 9.784 9.784 8.633 1.151 25007 3803 1 8 . 1 1 469 469 GLN N N 469 120.312 120.312 120.209 0.103 25007 3804 1 8 . 1 1 469 469 GLN HA H 469 4.396 4.396 4.563 -0.167 25007 3805 1 8 . 1 1 469 469 GLN C C 469 174.534 174.534 174.522 0.012 25007 3806 1 8 . 1 1 469 469 GLN CA C 469 55.882 55.882 54.207 1.675 25007 3807 1 8 . 1 1 469 469 GLN CB C 469 30.330 30.330 31.433 -1.103 25007 3808 1 8 . 1 1 469 469 GLN H H 469 7.948 7.948 7.647 0.301 25007 3809 1 8 . 1 1 470 470 ARG N N 470 122.876 122.876 124.442 -1.566 25007 3810 1 8 . 1 1 470 470 ARG HA H 470 4.559 4.559 5.421 -0.862 25007 3811 1 8 . 1 1 470 470 ARG C C 470 175.944 175.944 175.712 0.232 25007 3812 1 8 . 1 1 470 470 ARG CA C 470 55.425 55.425 54.794 0.631 25007 3813 1 8 . 1 1 470 470 ARG CB C 470 31.418 31.418 31.062 0.356 25007 3814 1 8 . 1 1 470 470 ARG H H 470 8.133 8.133 8.479 -0.346 25007 3815 1 8 . 1 1 471 471 VAL N N 471 126.868 126.868 120.907 5.961 25007 3816 1 8 . 1 1 471 471 VAL HA H 471 4.125 4.125 4.193 -0.068 25007 3817 1 8 . 1 1 471 471 VAL C C 471 173.258 173.258 173.667 -0.409 25007 3818 1 8 . 1 1 471 471 VAL CA C 471 60.324 60.324 60.705 -0.380 25007 3819 1 8 . 1 1 471 471 VAL CB C 471 34.719 34.719 35.991 -1.272 25007 3820 1 8 . 1 1 471 471 VAL H H 471 8.809 8.809 8.575 0.234 25007 3821 1 8 . 1 1 472 472 GLU N N 472 126.535 126.535 127.993 -1.458 25007 3822 1 8 . 1 1 472 472 GLU HA H 472 5.064 5.064 4.769 0.295 25007 3823 1 8 . 1 1 472 472 GLU C C 472 175.149 175.149 175.383 -0.234 25007 3824 1 8 . 1 1 472 472 GLU CA C 472 54.581 54.581 55.198 -0.617 25007 3825 1 8 . 1 1 472 472 GLU CB C 472 32.264 32.264 31.015 1.249 25007 3826 1 8 . 1 1 472 472 GLU H H 472 8.650 8.650 8.299 0.351 25007 3827 1 8 . 1 1 473 473 PHE N N 473 125.481 125.481 124.962 0.519 25007 3828 1 8 . 1 1 473 473 PHE HA H 473 4.731 4.731 4.797 -0.066 25007 3829 1 8 . 1 1 473 473 PHE C C 473 175.039 175.039 174.804 0.235 25007 3830 1 8 . 1 1 473 473 PHE CA C 473 57.568 57.568 57.224 0.344 25007 3831 1 8 . 1 1 473 473 PHE CB C 473 41.957 41.957 40.746 1.211 25007 3832 1 8 . 1 1 473 473 PHE H H 473 9.269 9.269 9.101 0.168 25007 3833 1 8 . 1 1 474 474 GLU N N 474 120.740 120.740 125.464 -4.724 25007 3834 1 8 . 1 1 474 474 GLU HA H 474 5.345 5.345 5.536 -0.191 25007 3835 1 8 . 1 1 474 474 GLU C C 474 174.352 174.352 175.797 -1.445 25007 3836 1 8 . 1 1 474 474 GLU CA C 474 54.701 54.701 54.330 0.371 25007 3837 1 8 . 1 1 474 474 GLU CB C 474 33.357 33.357 32.899 0.458 25007 3838 1 8 . 1 1 474 474 GLU H H 474 8.464 8.464 9.927 -1.463 25007 3839 1 8 . 1 1 475 475 CYS N N 475 121.489 121.489 121.933 -0.444 25007 3840 1 8 . 1 1 475 475 CYS HA H 475 4.808 4.808 5.403 -0.595 25007 3841 1 8 . 1 1 475 475 CYS C C 475 172.098 172.098 173.591 -1.493 25007 3842 1 8 . 1 1 475 475 CYS CA C 475 56.609 56.609 55.875 0.734 25007 3843 1 8 . 1 1 475 475 CYS CB C 475 30.959 30.959 31.434 -0.475 25007 3844 1 8 . 1 1 475 475 CYS H H 475 8.975 8.975 9.130 -0.155 25007 3845 1 8 . 1 1 476 476 GLU N N 476 123.429 123.429 123.233 0.196 25007 3846 1 8 . 1 1 476 476 GLU HA H 476 5.508 5.508 5.547 -0.039 25007 3847 1 8 . 1 1 476 476 GLU C C 476 175.188 175.188 175.930 -0.742 25007 3848 1 8 . 1 1 476 476 GLU CA C 476 55.034 55.034 54.825 0.209 25007 3849 1 8 . 1 1 476 476 GLU CB C 476 34.226 34.226 33.042 1.184 25007 3850 1 8 . 1 1 476 476 GLU H H 476 8.550 8.550 8.521 0.029 25007 3851 1 8 . 1 1 477 477 VAL N N 477 116.564 116.564 118.254 -1.690 25007 3852 1 8 . 1 1 477 477 VAL HA H 477 5.411 5.411 5.229 0.182 25007 3853 1 8 . 1 1 477 477 VAL C C 477 177.337 177.337 175.571 1.766 25007 3854 1 8 . 1 1 477 477 VAL CA C 477 58.807 58.807 58.906 -0.098 25007 3855 1 8 . 1 1 477 477 VAL CB C 477 33.847 33.847 34.578 -0.731 25007 3856 1 8 . 1 1 477 477 VAL H H 477 8.713 8.713 8.575 0.138 25007 3857 1 8 . 1 1 478 478 SER N N 478 111.232 111.232 116.425 -5.193 25007 3858 1 8 . 1 1 478 478 SER HA H 478 4.040 4.040 4.235 -0.195 25007 3859 1 8 . 1 1 478 478 SER C C 478 173.819 173.819 174.515 -0.696 25007 3860 1 8 . 1 1 478 478 SER CA C 478 61.120 61.120 61.405 -0.285 25007 3861 1 8 . 1 1 478 478 SER CB C 478 63.537 63.537 63.510 0.027 25007 3862 1 8 . 1 1 478 478 SER H H 478 8.756 8.756 8.422 0.334 25007 3863 1 8 . 1 1 479 479 GLU N N 479 116.963 116.963 120.160 -3.197 25007 3864 1 8 . 1 1 479 479 GLU HA H 479 4.846 4.846 4.541 0.305 25007 3865 1 8 . 1 1 479 479 GLU C C 479 175.936 175.936 175.207 0.729 25007 3866 1 8 . 1 1 479 479 GLU CA C 479 54.505 54.505 54.534 -0.029 25007 3867 1 8 . 1 1 479 479 GLU CB C 479 33.938 33.938 31.508 2.430 25007 3868 1 8 . 1 1 479 479 GLU H H 479 6.771 6.771 7.900 -1.129 25007 3869 1 8 . 1 1 480 480 GLU N N 480 124.445 124.445 125.494 -1.049 25007 3870 1 8 . 1 1 480 480 GLU HA H 480 4.402 4.402 4.141 0.261 25007 3871 1 8 . 1 1 480 480 GLU C C 480 176.539 176.539 177.043 -0.504 25007 3872 1 8 . 1 1 480 480 GLU CA C 480 57.860 57.860 56.695 1.165 25007 3873 1 8 . 1 1 480 480 GLU CB C 480 30.072 30.072 29.502 0.570 25007 3874 1 8 . 1 1 480 480 GLU H H 480 9.224 9.224 8.856 0.368 25007 3875 1 8 . 1 1 481 481 GLY C C 481 174.358 174.358 174.433 -0.075 25007 3876 1 8 . 1 1 481 481 GLY CA C 481 45.799 45.799 45.537 0.262 25007 3877 1 8 . 1 1 482 482 ALA N N 482 121.272 121.272 122.560 -1.288 25007 3878 1 8 . 1 1 482 482 ALA HA H 482 4.369 4.369 4.197 0.172 25007 3879 1 8 . 1 1 482 482 ALA C C 482 177.182 177.182 177.025 0.157 25007 3880 1 8 . 1 1 482 482 ALA CA C 482 52.389 52.389 52.706 -0.317 25007 3881 1 8 . 1 1 482 482 ALA CB C 482 20.558 20.558 19.899 0.659 25007 3882 1 8 . 1 1 482 482 ALA H H 482 7.407 7.407 7.260 0.147 25007 3883 1 8 . 1 1 483 483 GLN N N 483 121.348 121.348 122.403 -1.055 25007 3884 1 8 . 1 1 483 483 GLN HA H 483 4.434 4.434 4.410 0.024 25007 3885 1 8 . 1 1 483 483 GLN C C 483 175.702 175.702 175.302 0.400 25007 3886 1 8 . 1 1 483 483 GLN CA C 483 55.355 55.355 55.890 -0.535 25007 3887 1 8 . 1 1 483 483 GLN CB C 483 28.785 28.785 28.968 -0.183 25007 3888 1 8 . 1 1 483 483 GLN H H 483 8.508 8.508 8.700 -0.192 25007 3889 1 8 . 1 1 484 484 VAL N N 484 118.367 118.367 117.370 0.997 25007 3890 1 8 . 1 1 484 484 VAL HA H 484 4.907 4.907 4.440 0.467 25007 3891 1 8 . 1 1 484 484 VAL C C 484 174.865 174.865 174.684 0.181 25007 3892 1 8 . 1 1 484 484 VAL CA C 484 58.403 58.403 59.380 -0.977 25007 3893 1 8 . 1 1 484 484 VAL CB C 484 34.477 34.477 34.057 0.420 25007 3894 1 8 . 1 1 484 484 VAL H H 484 8.269 8.269 8.102 0.167 25007 3895 1 8 . 1 1 485 485 LYS N N 485 119.929 119.929 124.876 -4.947 25007 3896 1 8 . 1 1 485 485 LYS HA H 485 4.586 4.586 4.692 -0.106 25007 3897 1 8 . 1 1 485 485 LYS C C 485 173.947 173.947 174.708 -0.761 25007 3898 1 8 . 1 1 485 485 LYS CA C 485 54.986 54.986 55.218 -0.232 25007 3899 1 8 . 1 1 485 485 LYS CB C 485 36.634 36.634 36.453 0.181 25007 3900 1 8 . 1 1 485 485 LYS H H 485 8.013 8.013 8.321 -0.308 25007 3901 1 8 . 1 1 486 486 TRP N N 486 123.614 123.614 124.017 -0.403 25007 3902 1 8 . 1 1 486 486 TRP HA H 486 5.602 5.602 5.028 0.574 25007 3903 1 8 . 1 1 486 486 TRP C C 486 175.998 175.998 175.661 0.337 25007 3904 1 8 . 1 1 486 486 TRP CA C 486 55.808 55.808 56.684 -0.876 25007 3905 1 8 . 1 1 486 486 TRP CB C 486 32.003 32.003 30.770 1.234 25007 3906 1 8 . 1 1 486 486 TRP H H 486 8.776 8.776 8.812 -0.036 25007 3907 1 8 . 1 1 487 487 LEU N N 487 121.275 121.275 122.694 -1.419 25007 3908 1 8 . 1 1 487 487 LEU HA H 487 5.181 5.181 5.229 -0.048 25007 3909 1 8 . 1 1 487 487 LEU C C 487 175.805 175.805 175.352 0.453 25007 3910 1 8 . 1 1 487 487 LEU CA C 487 53.541 53.541 53.651 -0.110 25007 3911 1 8 . 1 1 487 487 LEU CB C 487 46.105 46.105 46.746 -0.641 25007 3912 1 8 . 1 1 487 487 LEU H H 487 9.581 9.581 9.155 0.426 25007 3913 1 8 . 1 1 488 488 LYS N N 488 119.146 119.146 121.107 -1.961 25007 3914 1 8 . 1 1 488 488 LYS HA H 488 4.439 4.439 4.950 -0.511 25007 3915 1 8 . 1 1 488 488 LYS C C 488 176.682 176.682 175.730 0.952 25007 3916 1 8 . 1 1 488 488 LYS CA C 488 55.102 55.102 55.346 -0.244 25007 3917 1 8 . 1 1 488 488 LYS CB C 488 35.535 35.535 34.243 1.292 25007 3918 1 8 . 1 1 488 488 LYS H H 488 8.681 8.681 8.798 -0.117 25007 3919 1 8 . 1 1 489 489 ASP N N 489 130.284 130.284 128.150 2.134 25007 3920 1 8 . 1 1 489 489 ASP HA H 489 4.361 4.361 4.358 0.003 25007 3921 1 8 . 1 1 489 489 ASP C C 489 176.145 176.145 176.407 -0.262 25007 3922 1 8 . 1 1 489 489 ASP CA C 489 55.968 55.968 55.813 0.155 25007 3923 1 8 . 1 1 489 489 ASP CB C 489 40.051 40.051 39.739 0.312 25007 3924 1 8 . 1 1 489 489 ASP H H 489 9.860 9.860 9.222 0.638 25007 3925 1 8 . 1 1 490 490 GLY N N 490 101.712 101.712 103.158 -1.446 25007 3926 1 8 . 1 1 490 490 GLY C C 490 173.542 173.542 174.574 -1.032 25007 3927 1 8 . 1 1 490 490 GLY CA C 490 45.240 45.240 45.133 0.107 25007 3928 1 8 . 1 1 490 490 GLY H H 490 8.668 8.668 8.632 0.036 25007 3929 1 8 . 1 1 491 491 VAL N N 491 123.365 123.365 123.910 -0.545 25007 3930 1 8 . 1 1 491 491 VAL HA H 491 4.168 4.168 3.970 0.198 25007 3931 1 8 . 1 1 491 491 VAL C C 491 175.179 175.179 175.270 -0.091 25007 3932 1 8 . 1 1 491 491 VAL CA C 491 61.629 61.629 62.061 -0.432 25007 3933 1 8 . 1 1 491 491 VAL CB C 491 33.515 33.515 31.707 1.808 25007 3934 1 8 . 1 1 491 491 VAL H H 491 7.917 7.917 7.682 0.235 25007 3935 1 8 . 1 1 492 492 GLU N N 492 127.979 127.979 128.666 -0.687 25007 3936 1 8 . 1 1 492 492 GLU HA H 492 4.395 4.395 4.308 0.087 25007 3937 1 8 . 1 1 492 492 GLU C C 492 176.695 176.695 175.833 0.862 25007 3938 1 8 . 1 1 492 492 GLU CA C 492 57.585 57.585 55.892 1.693 25007 3939 1 8 . 1 1 492 492 GLU CB C 492 29.870 29.870 29.892 -0.022 25007 3940 1 8 . 1 1 492 492 GLU H H 492 8.759 8.759 8.622 0.137 25007 3941 1 8 . 1 1 493 493 LEU N N 493 127.568 127.568 128.755 -1.187 25007 3942 1 8 . 1 1 493 493 LEU HA H 493 4.539 4.539 4.357 0.182 25007 3943 1 8 . 1 1 493 493 LEU C C 493 176.807 176.807 176.968 -0.161 25007 3944 1 8 . 1 1 493 493 LEU CA C 493 54.305 54.305 55.675 -1.370 25007 3945 1 8 . 1 1 493 493 LEU CB C 493 41.768 41.768 42.224 -0.456 25007 3946 1 8 . 1 1 493 493 LEU H H 493 8.884 8.884 7.905 0.979 25007 3947 1 8 . 1 1 494 494 THR N N 494 115.006 115.006 116.164 -1.158 25007 3948 1 8 . 1 1 494 494 THR HA H 494 4.462 4.462 4.549 -0.087 25007 3949 1 8 . 1 1 494 494 THR C C 494 174.638 174.638 174.742 -0.104 25007 3950 1 8 . 1 1 494 494 THR CA C 494 61.263 61.263 61.159 0.104 25007 3951 1 8 . 1 1 494 494 THR CB C 494 70.112 70.112 70.382 -0.270 25007 3952 1 8 . 1 1 494 494 THR H H 494 8.315 8.315 8.319 -0.004 25007 3953 1 8 . 1 1 495 495 ARG N N 495 121.376 121.376 123.670 -2.294 25007 3954 1 8 . 1 1 495 495 ARG HA H 495 4.236 4.236 4.859 -0.623 25007 3955 1 8 . 1 1 495 495 ARG C C 495 176.661 176.661 176.770 -0.109 25007 3956 1 8 . 1 1 495 495 ARG CA C 495 56.528 56.528 55.785 0.743 25007 3957 1 8 . 1 1 495 495 ARG CB C 495 29.747 29.747 29.865 -0.118 25007 3958 1 8 . 1 1 495 495 ARG H H 495 8.442 8.442 8.529 -0.087 25007 3959 1 8 . 1 1 496 496 GLU N N 496 120.213 120.213 120.899 -0.686 25007 3960 1 8 . 1 1 496 496 GLU HA H 496 4.300 4.300 4.203 0.097 25007 3961 1 8 . 1 1 496 496 GLU C C 496 176.615 176.615 176.307 0.308 25007 3962 1 8 . 1 1 496 496 GLU CA C 496 57.036 57.036 57.937 -0.901 25007 3963 1 8 . 1 1 496 496 GLU CB C 496 30.369 30.369 29.994 0.375 25007 3964 1 8 . 1 1 496 496 GLU H H 496 8.230 8.230 8.084 0.146 25007 3965 1 8 . 1 1 497 497 GLU N N 497 120.969 120.969 119.033 1.936 25007 3966 1 8 . 1 1 497 497 GLU HA H 497 4.432 4.432 4.621 -0.189 25007 3967 1 8 . 1 1 497 497 GLU C C 497 176.587 176.587 174.776 1.811 25007 3968 1 8 . 1 1 497 497 GLU CA C 497 56.731 56.731 55.309 1.422 25007 3969 1 8 . 1 1 497 497 GLU CB C 497 29.467 29.467 32.096 -2.629 25007 3970 1 8 . 1 1 497 497 GLU H H 497 8.286 8.286 7.886 0.400 25007 3971 1 8 . 1 1 498 498 THR N N 498 114.281 114.281 114.226 0.055 25007 3972 1 8 . 1 1 498 498 THR HA H 498 4.540 4.540 4.790 -0.250 25007 3973 1 8 . 1 1 498 498 THR C C 498 174.512 174.512 173.540 0.972 25007 3974 1 8 . 1 1 498 498 THR CA C 498 61.494 61.494 61.562 -0.069 25007 3975 1 8 . 1 1 498 498 THR CB C 498 70.298 70.298 69.862 0.436 25007 3976 1 8 . 1 1 498 498 THR H H 498 8.192 8.192 8.112 0.080 25007 3977 1 8 . 1 1 499 499 PHE N N 499 119.424 119.424 123.055 -3.631 25007 3978 1 8 . 1 1 499 499 PHE HA H 499 4.557 4.557 4.594 -0.037 25007 3979 1 8 . 1 1 499 499 PHE C C 499 176.196 176.196 176.252 -0.056 25007 3980 1 8 . 1 1 499 499 PHE CA C 499 58.536 58.536 58.995 -0.459 25007 3981 1 8 . 1 1 499 499 PHE CB C 499 38.497 38.497 39.971 -1.474 25007 3982 1 8 . 1 1 499 499 PHE H H 499 8.191 8.191 8.793 -0.602 25007 3983 1 8 . 1 1 500 500 LYS N N 500 120.866 120.866 117.205 3.661 25007 3984 1 8 . 1 1 500 500 LYS HA H 500 4.011 4.011 4.227 -0.216 25007 3985 1 8 . 1 1 500 500 LYS C C 500 175.712 175.712 175.142 0.570 25007 3986 1 8 . 1 1 500 500 LYS CA C 500 57.773 57.773 58.251 -0.478 25007 3987 1 8 . 1 1 500 500 LYS CB C 500 33.363 33.363 33.405 -0.042 25007 3988 1 8 . 1 1 500 500 LYS H H 500 7.848 7.848 8.351 -0.503 25007 3989 1 8 . 1 1 501 501 TYR N N 501 114.937 114.937 116.706 -1.769 25007 3990 1 8 . 1 1 501 501 TYR HA H 501 5.313 5.313 4.715 0.598 25007 3991 1 8 . 1 1 501 501 TYR C C 501 175.113 175.113 174.983 0.130 25007 3992 1 8 . 1 1 501 501 TYR CA C 501 55.044 55.044 57.096 -2.052 25007 3993 1 8 . 1 1 501 501 TYR CB C 501 41.727 41.727 40.469 1.258 25007 3994 1 8 . 1 1 501 501 TYR H H 501 7.214 7.214 7.561 -0.347 25007 3995 1 8 . 1 1 502 502 ARG N N 502 119.116 119.116 117.260 1.856 25007 3996 1 8 . 1 1 502 502 ARG HA H 502 4.543 4.543 4.505 0.038 25007 3997 1 8 . 1 1 502 502 ARG C C 502 173.549 173.549 173.953 -0.404 25007 3998 1 8 . 1 1 502 502 ARG CA C 502 54.462 54.462 54.626 -0.164 25007 3999 1 8 . 1 1 502 502 ARG CB C 502 32.980 32.980 34.451 -1.471 25007 4000 1 8 . 1 1 502 502 ARG H H 502 8.663 8.663 7.982 0.681 25007 4001 1 8 . 1 1 503 503 PHE N N 503 121.105 121.105 123.061 -1.956 25007 4002 1 8 . 1 1 503 503 PHE HA H 503 5.281 5.281 4.838 0.443 25007 4003 1 8 . 1 1 503 503 PHE C C 503 176.268 176.268 176.103 0.165 25007 4004 1 8 . 1 1 503 503 PHE CA C 503 55.736 55.736 57.521 -1.785 25007 4005 1 8 . 1 1 503 503 PHE CB C 503 41.345 41.345 39.478 1.867 25007 4006 1 8 . 1 1 503 503 PHE H H 503 8.691 8.691 8.632 0.059 25007 4007 1 8 . 1 1 504 504 LYS N N 504 121.191 121.191 124.912 -3.721 25007 4008 1 8 . 1 1 504 504 LYS HA H 504 4.892 4.892 4.802 0.090 25007 4009 1 8 . 1 1 504 504 LYS C C 504 174.929 174.929 175.030 -0.101 25007 4010 1 8 . 1 1 504 504 LYS CA C 504 55.269 55.269 54.910 0.359 25007 4011 1 8 . 1 1 504 504 LYS CB C 504 36.405 36.405 35.502 0.903 25007 4012 1 8 . 1 1 504 504 LYS H H 504 8.914 8.914 8.355 0.559 25007 4013 1 8 . 1 1 505 505 LYS N N 505 126.575 126.575 124.210 2.365 25007 4014 1 8 . 1 1 505 505 LYS HA H 505 4.860 4.860 4.259 0.601 25007 4015 1 8 . 1 1 505 505 LYS C C 505 174.542 174.542 175.039 -0.497 25007 4016 1 8 . 1 1 505 505 LYS CA C 505 55.484 55.484 55.662 -0.178 25007 4017 1 8 . 1 1 505 505 LYS CB C 505 34.831 34.831 34.337 0.494 25007 4018 1 8 . 1 1 505 505 LYS H H 505 8.822 8.822 8.651 0.171 25007 4019 1 8 . 1 1 506 506 ASP N N 506 125.932 125.932 128.114 -2.182 25007 4020 1 8 . 1 1 506 506 ASP HA H 506 4.814 4.814 4.823 -0.009 25007 4021 1 8 . 1 1 506 506 ASP C C 506 176.075 176.075 176.073 0.002 25007 4022 1 8 . 1 1 506 506 ASP CA C 506 52.597 52.597 52.935 -0.338 25007 4023 1 8 . 1 1 506 506 ASP CB C 506 41.813 41.813 41.697 0.116 25007 4024 1 8 . 1 1 506 506 ASP H H 506 8.911 8.911 8.622 0.289 25007 4025 1 8 . 1 1 507 507 GLY N N 507 114.443 114.443 112.502 1.941 25007 4026 1 8 . 1 1 507 507 GLY C C 507 175.318 175.318 175.069 0.249 25007 4027 1 8 . 1 1 507 507 GLY CA C 507 47.542 47.542 47.025 0.517 25007 4028 1 8 . 1 1 507 507 GLY H H 507 8.989 8.989 8.558 0.431 25007 4029 1 8 . 1 1 508 508 GLN N N 508 128.587 128.587 123.363 5.224 25007 4030 1 8 . 1 1 508 508 GLN HA H 508 4.546 4.546 4.512 0.034 25007 4031 1 8 . 1 1 508 508 GLN C C 508 174.087 174.087 175.330 -1.243 25007 4032 1 8 . 1 1 508 508 GLN CA C 508 57.107 57.107 55.356 1.751 25007 4033 1 8 . 1 1 508 508 GLN CB C 508 30.198 30.198 30.325 -0.127 25007 4034 1 8 . 1 1 508 508 GLN H H 508 9.426 9.426 8.170 1.256 25007 4035 1 8 . 1 1 509 509 ARG N N 509 120.282 120.282 119.332 0.950 25007 4036 1 8 . 1 1 509 509 ARG HA H 509 4.971 4.971 5.237 -0.266 25007 4037 1 8 . 1 1 509 509 ARG C C 509 174.531 174.531 175.114 -0.583 25007 4038 1 8 . 1 1 509 509 ARG CA C 509 56.149 56.149 54.674 1.475 25007 4039 1 8 . 1 1 509 509 ARG CB C 509 31.984 31.984 32.525 -0.541 25007 4040 1 8 . 1 1 509 509 ARG H H 509 8.185 8.185 7.970 0.215 25007 4041 1 8 . 1 1 510 510 HIS N N 510 122.738 122.738 122.800 -0.062 25007 4042 1 8 . 1 1 510 510 HIS HA H 510 5.128 5.128 5.385 -0.257 25007 4043 1 8 . 1 1 510 510 HIS C C 510 174.763 174.763 174.514 0.249 25007 4044 1 8 . 1 1 510 510 HIS CA C 510 56.499 56.499 54.930 1.569 25007 4045 1 8 . 1 1 510 510 HIS CB C 510 35.219 35.219 33.818 1.401 25007 4046 1 8 . 1 1 510 510 HIS H H 510 8.766 8.766 9.437 -0.671 25007 4047 1 8 . 1 1 511 511 HIS N N 511 118.975 118.975 121.916 -2.941 25007 4048 1 8 . 1 1 511 511 HIS HA H 511 6.074 6.074 5.053 1.021 25007 4049 1 8 . 1 1 511 511 HIS C C 511 173.805 173.805 174.326 -0.521 25007 4050 1 8 . 1 1 511 511 HIS CA C 511 53.886 53.886 55.057 -1.171 25007 4051 1 8 . 1 1 511 511 HIS CB C 511 33.159 33.159 31.673 1.486 25007 4052 1 8 . 1 1 511 511 HIS H H 511 9.314 9.314 8.554 0.760 25007 4053 1 8 . 1 1 512 512 LEU N N 512 125.887 125.887 128.679 -2.792 25007 4054 1 8 . 1 1 512 512 LEU HA H 512 4.382 4.382 4.642 -0.260 25007 4055 1 8 . 1 1 512 512 LEU C C 512 174.018 174.018 174.715 -0.697 25007 4056 1 8 . 1 1 512 512 LEU CA C 512 54.038 54.038 53.204 0.834 25007 4057 1 8 . 1 1 512 512 LEU CB C 512 42.246 42.246 42.620 -0.374 25007 4058 1 8 . 1 1 512 512 LEU H H 512 8.403 8.403 8.982 -0.579 25007 4059 1 8 . 1 1 513 513 ILE N N 513 127.359 127.359 129.006 -1.647 25007 4060 1 8 . 1 1 513 513 ILE HA H 513 4.953 4.953 4.798 0.155 25007 4061 1 8 . 1 1 513 513 ILE C C 513 175.456 175.456 174.751 0.705 25007 4062 1 8 . 1 1 513 513 ILE CA C 513 59.184 59.184 58.946 0.238 25007 4063 1 8 . 1 1 513 513 ILE CB C 513 40.899 40.899 39.477 1.422 25007 4064 1 8 . 1 1 513 513 ILE H H 513 8.885 8.885 7.618 1.267 25007 4065 1 8 . 1 1 514 514 ILE N N 514 126.969 126.969 131.601 -4.632 25007 4066 1 8 . 1 1 514 514 ILE HA H 514 4.391 4.391 4.340 0.051 25007 4067 1 8 . 1 1 514 514 ILE C C 514 175.544 175.544 176.012 -0.468 25007 4068 1 8 . 1 1 514 514 ILE CA C 514 60.181 60.181 61.074 -0.893 25007 4069 1 8 . 1 1 514 514 ILE CB C 514 39.580 39.580 37.292 2.288 25007 4070 1 8 . 1 1 514 514 ILE H H 514 8.929 8.929 8.928 0.001 25007 4071 1 8 . 1 1 515 515 ASN N N 515 124.537 124.537 126.166 -1.629 25007 4072 1 8 . 1 1 515 515 ASN HA H 515 4.187 4.187 4.462 -0.275 25007 4073 1 8 . 1 1 515 515 ASN C C 515 174.955 174.955 175.358 -0.403 25007 4074 1 8 . 1 1 515 515 ASN CA C 515 57.082 57.082 56.154 0.928 25007 4075 1 8 . 1 1 515 515 ASN CB C 515 38.847 38.847 39.007 -0.160 25007 4076 1 8 . 1 1 515 515 ASN H H 515 8.112 8.112 8.790 -0.678 25007 4077 1 8 . 1 1 516 516 GLU N N 516 117.395 117.395 119.029 -1.634 25007 4078 1 8 . 1 1 516 516 GLU HA H 516 3.780 3.780 4.417 -0.637 25007 4079 1 8 . 1 1 516 516 GLU C C 516 173.992 173.992 174.334 -0.342 25007 4080 1 8 . 1 1 516 516 GLU CA C 516 55.067 55.067 55.560 -0.493 25007 4081 1 8 . 1 1 516 516 GLU CB C 516 31.592 31.592 31.198 0.394 25007 4082 1 8 . 1 1 516 516 GLU H H 516 8.156 8.156 7.845 0.311 25007 4083 1 8 . 1 1 517 517 ALA N N 517 125.988 125.988 129.441 -3.453 25007 4084 1 8 . 1 1 517 517 ALA HA H 517 4.145 4.145 4.587 -0.442 25007 4085 1 8 . 1 1 517 517 ALA C C 517 177.314 177.314 176.072 1.242 25007 4086 1 8 . 1 1 517 517 ALA CA C 517 53.495 53.495 51.599 1.896 25007 4087 1 8 . 1 1 517 517 ALA CB C 517 18.842 18.842 20.460 -1.618 25007 4088 1 8 . 1 1 517 517 ALA H H 517 8.703 8.703 8.217 0.486 25007 4089 1 8 . 1 1 518 518 MET N N 518 123.199 123.199 120.356 2.843 25007 4090 1 8 . 1 1 518 518 MET HA H 518 4.845 4.845 4.734 0.111 25007 4091 1 8 . 1 1 518 518 MET C C 518 177.647 177.647 177.002 0.645 25007 4092 1 8 . 1 1 518 518 MET CA C 518 53.070 53.070 52.938 0.132 25007 4093 1 8 . 1 1 518 518 MET CB C 518 35.877 35.877 34.236 1.641 25007 4094 1 8 . 1 1 518 518 MET H H 518 9.802 9.802 8.567 1.235 25007 4095 1 8 . 1 1 519 519 LEU N N 519 123.266 123.266 122.111 1.155 25007 4096 1 8 . 1 1 519 519 LEU HA H 519 3.822 3.822 4.108 -0.286 25007 4097 1 8 . 1 1 519 519 LEU C C 519 180.760 180.760 179.372 1.388 25007 4098 1 8 . 1 1 519 519 LEU CA C 519 59.358 59.358 58.550 0.808 25007 4099 1 8 . 1 1 519 519 LEU CB C 519 40.910 40.910 40.676 0.234 25007 4100 1 8 . 1 1 519 519 LEU H H 519 9.097 9.097 8.497 0.600 25007 4101 1 8 . 1 1 520 520 GLU N N 520 115.379 115.379 117.403 -2.024 25007 4102 1 8 . 1 1 520 520 GLU HA H 520 4.243 4.243 4.246 -0.003 25007 4103 1 8 . 1 1 520 520 GLU C C 520 176.447 176.447 176.853 -0.406 25007 4104 1 8 . 1 1 520 520 GLU CA C 520 58.255 58.255 57.768 0.487 25007 4105 1 8 . 1 1 520 520 GLU CB C 520 28.497 28.497 29.179 -0.682 25007 4106 1 8 . 1 1 520 520 GLU H H 520 9.071 9.071 8.368 0.703 25007 4107 1 8 . 1 1 521 521 ASP N N 521 117.057 117.057 118.178 -1.121 25007 4108 1 8 . 1 1 521 521 ASP HA H 521 4.650 4.650 4.580 0.070 25007 4109 1 8 . 1 1 521 521 ASP C C 521 176.747 176.747 177.201 -0.454 25007 4110 1 8 . 1 1 521 521 ASP CA C 521 55.790 55.790 55.736 0.054 25007 4111 1 8 . 1 1 521 521 ASP CB C 521 40.882 40.882 41.298 -0.416 25007 4112 1 8 . 1 1 521 521 ASP H H 521 8.089 8.089 7.412 0.677 25007 4113 1 8 . 1 1 522 522 ALA N N 522 123.576 123.576 122.152 1.424 25007 4114 1 8 . 1 1 522 522 ALA HA H 522 4.138 4.138 4.386 -0.248 25007 4115 1 8 . 1 1 522 522 ALA C C 522 176.493 176.493 177.930 -1.437 25007 4116 1 8 . 1 1 522 522 ALA CA C 522 53.668 53.668 53.758 -0.090 25007 4117 1 8 . 1 1 522 522 ALA CB C 522 19.822 19.822 19.186 0.636 25007 4118 1 8 . 1 1 522 522 ALA H H 522 7.560 7.560 7.303 0.257 25007 4119 1 8 . 1 1 523 523 GLY N N 523 107.939 107.939 107.228 0.711 25007 4120 1 8 . 1 1 523 523 GLY C C 523 171.581 171.581 173.224 -1.643 25007 4121 1 8 . 1 1 523 523 GLY CA C 523 44.966 44.966 45.241 -0.275 25007 4122 1 8 . 1 1 523 523 GLY H H 523 8.486 8.486 8.063 0.423 25007 4123 1 8 . 1 1 524 524 HIS N N 524 119.624 119.624 119.623 0.001 25007 4124 1 8 . 1 1 524 524 HIS HA H 524 5.284 5.284 5.182 0.102 25007 4125 1 8 . 1 1 524 524 HIS C C 524 174.529 174.529 174.656 -0.127 25007 4126 1 8 . 1 1 524 524 HIS CA C 524 55.966 55.966 55.054 0.912 25007 4127 1 8 . 1 1 524 524 HIS CB C 524 29.911 29.911 30.482 -0.571 25007 4128 1 8 . 1 1 524 524 HIS H H 524 9.138 9.138 8.735 0.403 25007 4129 1 8 . 1 1 525 525 TYR N N 525 127.402 127.402 125.951 1.451 25007 4130 1 8 . 1 1 525 525 TYR HA H 525 5.188 5.188 4.963 0.225 25007 4131 1 8 . 1 1 525 525 TYR C C 525 173.765 173.765 174.670 -0.905 25007 4132 1 8 . 1 1 525 525 TYR CA C 525 57.235 57.235 58.214 -0.979 25007 4133 1 8 . 1 1 525 525 TYR CB C 525 40.847 40.847 39.262 1.585 25007 4134 1 8 . 1 1 525 525 TYR H H 525 9.571 9.571 8.192 1.379 25007 4135 1 8 . 1 1 526 526 ALA N N 526 121.895 121.895 126.602 -4.707 25007 4136 1 8 . 1 1 526 526 ALA HA H 526 5.595 5.595 5.353 0.242 25007 4137 1 8 . 1 1 526 526 ALA C C 526 175.256 175.256 175.023 0.233 25007 4138 1 8 . 1 1 526 526 ALA CA C 526 49.674 49.674 49.996 -0.322 25007 4139 1 8 . 1 1 526 526 ALA CB C 526 24.106 24.106 22.359 1.747 25007 4140 1 8 . 1 1 526 526 ALA H H 526 9.096 9.096 9.430 -0.334 25007 4141 1 8 . 1 1 527 527 LEU N N 527 121.830 121.830 125.092 -3.262 25007 4142 1 8 . 1 1 527 527 LEU HA H 527 4.566 4.566 4.237 0.329 25007 4143 1 8 . 1 1 527 527 LEU C C 527 175.945 175.945 174.718 1.227 25007 4144 1 8 . 1 1 527 527 LEU CA C 527 52.867 52.867 53.852 -0.985 25007 4145 1 8 . 1 1 527 527 LEU CB C 527 42.946 42.946 43.482 -0.536 25007 4146 1 8 . 1 1 527 527 LEU H H 527 8.164 8.164 8.412 -0.248 25007 4147 1 8 . 1 1 528 528 CYS N N 528 122.905 122.905 127.536 -4.631 25007 4148 1 8 . 1 1 528 528 CYS HA H 528 4.983 4.983 4.691 0.292 25007 4149 1 8 . 1 1 528 528 CYS C C 528 174.337 174.337 174.282 0.055 25007 4150 1 8 . 1 1 528 528 CYS CA C 528 57.228 57.228 57.949 -0.721 25007 4151 1 8 . 1 1 528 528 CYS CB C 528 29.887 29.887 27.104 2.783 25007 4152 1 8 . 1 1 528 528 CYS H H 528 8.974 8.974 9.132 -0.158 25007 4153 1 8 . 1 1 529 529 THR N N 529 116.293 116.293 119.807 -3.514 25007 4154 1 8 . 1 1 529 529 THR HA H 529 4.693 4.693 4.743 -0.050 25007 4155 1 8 . 1 1 529 529 THR C C 529 175.292 175.292 175.537 -0.245 25007 4156 1 8 . 1 1 529 529 THR CA C 529 59.531 59.531 59.725 -0.194 25007 4157 1 8 . 1 1 529 529 THR CB C 529 71.282 71.282 70.629 0.653 25007 4158 1 8 . 1 1 529 529 THR H H 529 8.660 8.660 7.891 0.769 25007 4159 1 8 . 1 1 530 530 SER N N 530 115.090 115.090 115.281 -0.191 25007 4160 1 8 . 1 1 530 530 SER HA H 530 4.255 4.255 4.226 0.029 25007 4161 1 8 . 1 1 530 530 SER C C 530 175.719 175.719 174.903 0.816 25007 4162 1 8 . 1 1 530 530 SER CA C 530 59.970 59.970 59.653 0.317 25007 4163 1 8 . 1 1 530 530 SER CB C 530 62.914 62.914 63.075 -0.161 25007 4164 1 8 . 1 1 530 530 SER H H 530 9.373 9.373 8.728 0.645 25007 4165 1 8 . 1 1 531 531 GLY N N 531 108.629 108.629 106.676 1.953 25007 4166 1 8 . 1 1 531 531 GLY C C 531 173.708 173.708 173.350 0.358 25007 4167 1 8 . 1 1 531 531 GLY CA C 531 45.032 45.032 44.815 0.217 25007 4168 1 8 . 1 1 531 531 GLY H H 531 8.145 8.145 7.638 0.507 25007 4169 1 8 . 1 1 532 532 GLY N N 532 109.085 109.085 106.268 2.817 25007 4170 1 8 . 1 1 532 532 GLY C C 532 170.571 170.571 172.395 -1.824 25007 4171 1 8 . 1 1 532 532 GLY CA C 532 45.443 45.443 43.688 1.755 25007 4172 1 8 . 1 1 532 532 GLY H H 532 7.518 7.518 7.882 -0.364 25007 4173 1 8 . 1 1 533 533 GLN N N 533 116.769 116.769 120.250 -3.481 25007 4174 1 8 . 1 1 533 533 GLN HA H 533 5.329 5.329 5.161 0.168 25007 4175 1 8 . 1 1 533 533 GLN C C 533 174.087 174.087 174.602 -0.515 25007 4176 1 8 . 1 1 533 533 GLN CA C 533 54.453 54.453 54.155 0.298 25007 4177 1 8 . 1 1 533 533 GLN CB C 533 32.474 32.474 32.959 -0.485 25007 4178 1 8 . 1 1 533 533 GLN H H 533 8.302 8.302 8.336 -0.034 25007 4179 1 8 . 1 1 534 534 ALA N N 534 126.978 126.978 127.001 -0.023 25007 4180 1 8 . 1 1 534 534 ALA HA H 534 4.845 4.845 4.574 0.271 25007 4181 1 8 . 1 1 534 534 ALA C C 534 174.509 174.509 174.508 0.001 25007 4182 1 8 . 1 1 534 534 ALA CA C 534 50.792 50.792 52.176 -1.384 25007 4183 1 8 . 1 1 534 534 ALA CB C 534 22.023 22.023 21.871 0.152 25007 4184 1 8 . 1 1 534 534 ALA H H 534 8.863 8.863 8.587 0.276 25007 4185 1 8 . 1 1 535 535 LEU N N 535 122.725 122.725 125.441 -2.716 25007 4186 1 8 . 1 1 535 535 LEU HA H 535 5.386 5.386 5.402 -0.016 25007 4187 1 8 . 1 1 535 535 LEU C C 535 176.477 176.477 175.734 0.743 25007 4188 1 8 . 1 1 535 535 LEU CA C 535 54.253 54.253 53.712 0.541 25007 4189 1 8 . 1 1 535 535 LEU CB C 535 46.315 46.315 44.728 1.587 25007 4190 1 8 . 1 1 535 535 LEU H H 535 8.438 8.438 8.426 0.012 25007 4191 1 8 . 1 1 536 536 ALA N N 536 125.405 125.405 128.723 -3.318 25007 4192 1 8 . 1 1 536 536 ALA HA H 536 4.740 4.740 4.805 -0.065 25007 4193 1 8 . 1 1 536 536 ALA C C 536 174.310 174.310 175.141 -0.831 25007 4194 1 8 . 1 1 536 536 ALA CA C 536 51.928 51.928 50.875 1.053 25007 4195 1 8 . 1 1 536 536 ALA CB C 536 24.477 24.477 22.658 1.819 25007 4196 1 8 . 1 1 536 536 ALA H H 536 9.336 9.336 9.191 0.145 25007 4197 1 8 . 1 1 537 537 GLU N N 537 121.895 121.895 122.138 -0.243 25007 4198 1 8 . 1 1 537 537 GLU HA H 537 4.919 4.919 4.692 0.227 25007 4199 1 8 . 1 1 537 537 GLU C C 537 174.790 174.790 174.942 -0.152 25007 4200 1 8 . 1 1 537 537 GLU CA C 537 54.758 54.758 55.801 -1.043 25007 4201 1 8 . 1 1 537 537 GLU CB C 537 32.505 32.505 32.105 0.400 25007 4202 1 8 . 1 1 537 537 GLU H H 537 9.296 9.296 8.886 0.410 25007 4203 1 8 . 1 1 538 538 LEU N N 538 125.064 125.064 129.060 -3.996 25007 4204 1 8 . 1 1 538 538 LEU HA H 538 5.365 5.365 4.864 0.501 25007 4205 1 8 . 1 1 538 538 LEU C C 538 175.931 175.931 175.032 0.899 25007 4206 1 8 . 1 1 538 538 LEU CA C 538 53.389 53.389 54.517 -1.128 25007 4207 1 8 . 1 1 538 538 LEU CB C 538 45.315 45.315 45.091 0.224 25007 4208 1 8 . 1 1 538 538 LEU H H 538 9.274 9.274 7.968 1.306 25007 4209 1 8 . 1 1 539 539 ILE N N 539 130.885 130.885 124.401 6.484 25007 4210 1 8 . 1 1 539 539 ILE HA H 539 4.282 4.282 4.294 -0.012 25007 4211 1 8 . 1 1 539 539 ILE C C 539 173.958 173.958 174.880 -0.922 25007 4212 1 8 . 1 1 539 539 ILE CA C 539 61.171 61.171 59.989 1.182 25007 4213 1 8 . 1 1 539 539 ILE CB C 539 39.901 39.901 40.979 -1.078 25007 4214 1 8 . 1 1 539 539 ILE H H 539 8.867 8.867 8.350 0.517 25007 4215 1 8 . 1 1 540 540 VAL N N 540 125.478 125.478 127.026 -1.548 25007 4216 1 8 . 1 1 540 540 VAL HA H 540 4.770 4.770 4.794 -0.024 25007 4217 1 8 . 1 1 540 540 VAL C C 540 174.948 174.948 175.305 -0.357 25007 4218 1 8 . 1 1 540 540 VAL CA C 540 60.316 60.316 60.568 -0.252 25007 4219 1 8 . 1 1 540 540 VAL CB C 540 33.691 33.691 33.812 -0.121 25007 4220 1 8 . 1 1 540 540 VAL H H 540 7.880 7.880 8.595 -0.715 25007 4221 1 8 . 1 1 541 541 GLN N N 541 126.082 126.082 124.953 1.129 25007 4222 1 8 . 1 1 541 541 GLN HA H 541 4.618 4.618 4.665 -0.047 25007 4223 1 8 . 1 1 541 541 GLN C C 541 174.952 174.952 174.487 0.465 25007 4224 1 8 . 1 1 541 541 GLN CA C 541 54.372 54.372 54.142 0.230 25007 4225 1 8 . 1 1 541 541 GLN CB C 541 31.571 31.571 32.376 -0.805 25007 4226 1 8 . 1 1 541 541 GLN H H 541 9.066 9.066 8.291 0.775 25007 4227 1 8 . 1 1 542 542 GLU N N 542 122.178 122.178 122.729 -0.551 25007 4228 1 8 . 1 1 542 542 GLU HA H 542 4.312 4.312 4.361 -0.049 25007 4229 1 8 . 1 1 542 542 GLU C C 542 175.419 175.419 175.671 -0.252 25007 4230 1 8 . 1 1 542 542 GLU CA C 542 57.108 57.108 56.647 0.461 25007 4231 1 8 . 1 1 542 542 GLU CB C 542 31.266 31.266 30.277 0.989 25007 4232 1 8 . 1 1 542 542 GLU H H 542 8.742 8.742 8.597 0.145 25007 4233 1 9 . 1 1 451 451 HIS HA H 451 4.656 4.656 4.629 0.027 25007 4234 1 9 . 1 1 451 451 HIS C C 451 174.793 174.793 174.229 0.564 25007 4235 1 9 . 1 1 451 451 HIS CA C 451 55.947 55.947 56.010 -0.062 25007 4236 1 9 . 1 1 451 451 HIS CB C 451 29.903 29.903 28.320 1.583 25007 4237 1 9 . 1 1 452 452 MET N N 452 123.193 123.193 119.599 3.594 25007 4238 1 9 . 1 1 452 452 MET C C 452 173.991 173.991 173.907 0.084 25007 4239 1 9 . 1 1 452 452 MET CA C 452 53.192 53.192 52.508 0.684 25007 4240 1 9 . 1 1 452 452 MET CB C 452 31.977 31.977 33.120 -1.143 25007 4241 1 9 . 1 1 452 452 MET H H 452 8.342 8.342 7.856 0.486 25007 4242 1 9 . 1 1 453 453 PRO HA H 453 4.293 4.293 4.406 -0.113 25007 4243 1 9 . 1 1 453 453 PRO C C 453 175.733 175.733 176.395 -0.662 25007 4244 1 9 . 1 1 453 453 PRO CA C 453 62.734 62.734 62.478 0.256 25007 4245 1 9 . 1 1 453 453 PRO CB C 453 32.139 32.139 31.991 0.148 25007 4246 1 9 . 1 1 454 454 VAL N N 454 122.227 122.227 123.300 -1.073 25007 4247 1 9 . 1 1 454 454 VAL HA H 454 3.732 3.732 3.913 -0.181 25007 4248 1 9 . 1 1 454 454 VAL C C 454 175.296 175.296 175.442 -0.146 25007 4249 1 9 . 1 1 454 454 VAL CA C 454 63.126 63.126 62.670 0.456 25007 4250 1 9 . 1 1 454 454 VAL CB C 454 32.085 32.085 31.070 1.015 25007 4251 1 9 . 1 1 454 454 VAL H H 454 7.799 7.799 8.452 -0.653 25007 4252 1 9 . 1 1 455 455 LEU N N 455 129.419 129.419 129.455 -0.036 25007 4253 1 9 . 1 1 455 455 LEU HA H 455 4.435 4.435 4.518 -0.083 25007 4254 1 9 . 1 1 455 455 LEU C C 455 176.294 176.294 175.545 0.749 25007 4255 1 9 . 1 1 455 455 LEU CA C 455 52.797 52.797 54.423 -1.626 25007 4256 1 9 . 1 1 455 455 LEU CB C 455 43.631 43.631 44.100 -0.469 25007 4257 1 9 . 1 1 455 455 LEU H H 455 8.571 8.571 8.047 0.524 25007 4258 1 9 . 1 1 456 456 ILE N N 456 120.867 120.867 124.429 -3.562 25007 4259 1 9 . 1 1 456 456 ILE HA H 456 4.229 4.229 4.379 -0.150 25007 4260 1 9 . 1 1 456 456 ILE C C 456 176.619 176.619 176.348 0.271 25007 4261 1 9 . 1 1 456 456 ILE CA C 456 60.780 60.780 61.448 -0.668 25007 4262 1 9 . 1 1 456 456 ILE CB C 456 36.796 36.796 37.645 -0.849 25007 4263 1 9 . 1 1 456 456 ILE H H 456 8.507 8.507 8.466 0.041 25007 4264 1 9 . 1 1 457 457 THR N N 457 120.915 120.915 119.348 1.567 25007 4265 1 9 . 1 1 457 457 THR HA H 457 4.285 4.285 4.299 -0.014 25007 4266 1 9 . 1 1 457 457 THR C C 457 175.963 175.963 175.318 0.645 25007 4267 1 9 . 1 1 457 457 THR CA C 457 62.753 62.753 62.670 0.083 25007 4268 1 9 . 1 1 457 457 THR CB C 457 67.879 67.879 69.727 -1.847 25007 4269 1 9 . 1 1 457 457 THR H H 457 8.657 8.657 8.472 0.185 25007 4270 1 9 . 1 1 458 458 ARG N N 458 122.699 122.699 122.934 -0.235 25007 4271 1 9 . 1 1 458 458 ARG HA H 458 4.923 4.923 4.882 0.041 25007 4272 1 9 . 1 1 458 458 ARG C C 458 173.213 173.213 173.648 -0.435 25007 4273 1 9 . 1 1 458 458 ARG CA C 458 53.918 53.918 52.593 1.325 25007 4274 1 9 . 1 1 458 458 ARG CB C 458 32.559 32.559 31.517 1.042 25007 4275 1 9 . 1 1 458 458 ARG H H 458 7.552 7.552 7.717 -0.165 25007 4276 1 9 . 1 1 459 459 PRO HA H 459 4.298 4.298 4.368 -0.070 25007 4277 1 9 . 1 1 459 459 PRO C C 459 175.741 175.741 176.350 -0.609 25007 4278 1 9 . 1 1 459 459 PRO CA C 459 62.575 62.575 62.448 0.127 25007 4279 1 9 . 1 1 459 459 PRO CB C 459 32.551 32.551 32.013 0.538 25007 4280 1 9 . 1 1 460 460 LEU N N 460 115.474 115.474 120.297 -4.823 25007 4281 1 9 . 1 1 460 460 LEU HA H 460 4.563 4.563 4.882 -0.319 25007 4282 1 9 . 1 1 460 460 LEU C C 460 176.142 176.142 178.333 -2.191 25007 4283 1 9 . 1 1 460 460 LEU CA C 460 55.013 55.013 54.182 0.831 25007 4284 1 9 . 1 1 460 460 LEU CB C 460 45.292 45.292 42.118 3.174 25007 4285 1 9 . 1 1 460 460 LEU H H 460 6.157 6.157 8.329 -2.172 25007 4286 1 9 . 1 1 461 461 GLU N N 461 120.613 120.613 119.073 1.540 25007 4287 1 9 . 1 1 461 461 GLU HA H 461 4.795 4.795 4.317 0.478 25007 4288 1 9 . 1 1 461 461 GLU C C 461 175.540 175.540 176.581 -1.041 25007 4289 1 9 . 1 1 461 461 GLU CA C 461 54.657 54.657 56.866 -2.209 25007 4290 1 9 . 1 1 461 461 GLU CB C 461 32.600 32.600 30.834 1.766 25007 4291 1 9 . 1 1 461 461 GLU H H 461 8.387 8.387 8.835 -0.448 25007 4292 1 9 . 1 1 462 462 ASP N N 462 122.579 122.579 121.017 1.562 25007 4293 1 9 . 1 1 462 462 ASP HA H 462 5.031 5.031 4.724 0.307 25007 4294 1 9 . 1 1 462 462 ASP C C 462 176.359 176.359 175.472 0.887 25007 4295 1 9 . 1 1 462 462 ASP CA C 462 55.433 55.433 54.405 1.028 25007 4296 1 9 . 1 1 462 462 ASP CB C 462 41.069 41.069 40.969 0.100 25007 4297 1 9 . 1 1 462 462 ASP H H 462 8.599 8.599 8.597 0.002 25007 4298 1 9 . 1 1 463 463 GLN N N 463 117.028 117.028 117.424 -0.396 25007 4299 1 9 . 1 1 463 463 GLN HA H 463 4.667 4.667 4.494 0.173 25007 4300 1 9 . 1 1 463 463 GLN C C 463 173.563 173.563 174.239 -0.676 25007 4301 1 9 . 1 1 463 463 GLN CA C 463 54.227 54.227 54.956 -0.729 25007 4302 1 9 . 1 1 463 463 GLN CB C 463 33.204 33.204 30.806 2.398 25007 4303 1 9 . 1 1 463 463 GLN H H 463 8.755 8.755 7.714 1.041 25007 4304 1 9 . 1 1 464 464 LEU N N 464 127.581 127.581 117.547 10.034 25007 4305 1 9 . 1 1 464 464 LEU HA H 464 5.307 5.307 5.211 0.096 25007 4306 1 9 . 1 1 464 464 LEU C C 464 175.838 175.838 175.736 0.102 25007 4307 1 9 . 1 1 464 464 LEU CA C 464 54.667 54.667 53.566 1.101 25007 4308 1 9 . 1 1 464 464 LEU CB C 464 44.018 44.018 43.875 0.143 25007 4309 1 9 . 1 1 464 464 LEU H H 464 8.415 8.415 8.212 0.203 25007 4310 1 9 . 1 1 465 465 VAL N N 465 119.279 119.279 115.165 4.114 25007 4311 1 9 . 1 1 465 465 VAL HA H 465 4.774 4.774 4.484 0.290 25007 4312 1 9 . 1 1 465 465 VAL C C 465 173.711 173.711 174.749 -1.038 25007 4313 1 9 . 1 1 465 465 VAL CA C 465 58.517 58.517 59.395 -0.878 25007 4314 1 9 . 1 1 465 465 VAL CB C 465 36.110 36.110 35.308 0.802 25007 4315 1 9 . 1 1 465 465 VAL H H 465 8.695 8.695 7.938 0.757 25007 4316 1 9 . 1 1 466 466 MET N N 466 119.214 119.214 118.484 0.730 25007 4317 1 9 . 1 1 466 466 MET HA H 466 5.247 5.247 5.092 0.155 25007 4318 1 9 . 1 1 466 466 MET C C 466 176.491 176.491 177.163 -0.672 25007 4319 1 9 . 1 1 466 466 MET CA C 466 52.783 52.783 53.793 -1.010 25007 4320 1 9 . 1 1 466 466 MET CB C 466 33.609 33.609 34.280 -0.671 25007 4321 1 9 . 1 1 466 466 MET H H 466 8.073 8.073 8.264 -0.191 25007 4322 1 9 . 1 1 467 467 VAL N N 467 119.566 119.566 121.660 -2.094 25007 4323 1 9 . 1 1 467 467 VAL HA H 467 3.420 3.420 3.891 -0.471 25007 4324 1 9 . 1 1 467 467 VAL C C 467 176.899 176.899 177.602 -0.703 25007 4325 1 9 . 1 1 467 467 VAL CA C 467 64.475 64.475 64.123 0.352 25007 4326 1 9 . 1 1 467 467 VAL CB C 467 32.180 32.180 31.145 1.035 25007 4327 1 9 . 1 1 467 467 VAL H H 467 7.891 7.891 7.920 -0.029 25007 4328 1 9 . 1 1 468 468 GLY N N 468 115.391 115.391 115.754 -0.363 25007 4329 1 9 . 1 1 468 468 GLY C C 468 174.446 174.446 174.173 0.273 25007 4330 1 9 . 1 1 468 468 GLY CA C 468 44.690 44.690 44.794 -0.104 25007 4331 1 9 . 1 1 468 468 GLY H H 468 9.784 9.784 8.888 0.896 25007 4332 1 9 . 1 1 469 469 GLN N N 469 120.312 120.312 120.971 -0.659 25007 4333 1 9 . 1 1 469 469 GLN HA H 469 4.396 4.396 4.396 -0.000 25007 4334 1 9 . 1 1 469 469 GLN C C 469 174.534 174.534 175.487 -0.953 25007 4335 1 9 . 1 1 469 469 GLN CA C 469 55.882 55.882 55.078 0.804 25007 4336 1 9 . 1 1 469 469 GLN CB C 469 30.330 30.330 30.725 -0.395 25007 4337 1 9 . 1 1 469 469 GLN H H 469 7.948 7.948 7.532 0.416 25007 4338 1 9 . 1 1 470 470 ARG N N 470 122.876 122.876 123.477 -0.601 25007 4339 1 9 . 1 1 470 470 ARG HA H 470 4.559 4.559 5.311 -0.752 25007 4340 1 9 . 1 1 470 470 ARG C C 470 175.944 175.944 175.495 0.449 25007 4341 1 9 . 1 1 470 470 ARG CA C 470 55.425 55.425 55.519 -0.094 25007 4342 1 9 . 1 1 470 470 ARG CB C 470 31.418 31.418 30.840 0.578 25007 4343 1 9 . 1 1 470 470 ARG H H 470 8.133 8.133 8.422 -0.289 25007 4344 1 9 . 1 1 471 471 VAL N N 471 126.868 126.868 121.667 5.201 25007 4345 1 9 . 1 1 471 471 VAL HA H 471 4.125 4.125 4.282 -0.157 25007 4346 1 9 . 1 1 471 471 VAL C C 471 173.258 173.258 173.783 -0.525 25007 4347 1 9 . 1 1 471 471 VAL CA C 471 60.324 60.324 59.858 0.466 25007 4348 1 9 . 1 1 471 471 VAL CB C 471 34.719 34.719 36.142 -1.423 25007 4349 1 9 . 1 1 471 471 VAL H H 471 8.809 8.809 8.602 0.207 25007 4350 1 9 . 1 1 472 472 GLU N N 472 126.535 126.535 126.774 -0.239 25007 4351 1 9 . 1 1 472 472 GLU HA H 472 5.064 5.064 4.865 0.199 25007 4352 1 9 . 1 1 472 472 GLU C C 472 175.149 175.149 175.292 -0.143 25007 4353 1 9 . 1 1 472 472 GLU CA C 472 54.581 54.581 54.810 -0.229 25007 4354 1 9 . 1 1 472 472 GLU CB C 472 32.264 32.264 31.482 0.782 25007 4355 1 9 . 1 1 472 472 GLU H H 472 8.650 8.650 8.212 0.438 25007 4356 1 9 . 1 1 473 473 PHE N N 473 125.481 125.481 124.738 0.743 25007 4357 1 9 . 1 1 473 473 PHE HA H 473 4.731 4.731 4.733 -0.002 25007 4358 1 9 . 1 1 473 473 PHE C C 473 175.039 175.039 175.050 -0.011 25007 4359 1 9 . 1 1 473 473 PHE CA C 473 57.568 57.568 57.118 0.450 25007 4360 1 9 . 1 1 473 473 PHE CB C 473 41.957 41.957 41.206 0.751 25007 4361 1 9 . 1 1 473 473 PHE H H 473 9.269 9.269 8.961 0.308 25007 4362 1 9 . 1 1 474 474 GLU N N 474 120.740 120.740 124.476 -3.736 25007 4363 1 9 . 1 1 474 474 GLU HA H 474 5.345 5.345 5.182 0.163 25007 4364 1 9 . 1 1 474 474 GLU C C 474 174.352 174.352 175.893 -1.541 25007 4365 1 9 . 1 1 474 474 GLU CA C 474 54.701 54.701 55.020 -0.319 25007 4366 1 9 . 1 1 474 474 GLU CB C 474 33.357 33.357 31.821 1.536 25007 4367 1 9 . 1 1 474 474 GLU H H 474 8.464 8.464 9.143 -0.679 25007 4368 1 9 . 1 1 475 475 CYS N N 475 121.489 121.489 120.122 1.367 25007 4369 1 9 . 1 1 475 475 CYS HA H 475 4.808 4.808 5.564 -0.756 25007 4370 1 9 . 1 1 475 475 CYS C C 475 172.098 172.098 173.450 -1.352 25007 4371 1 9 . 1 1 475 475 CYS CA C 475 56.609 56.609 56.198 0.411 25007 4372 1 9 . 1 1 475 475 CYS CB C 475 30.959 30.959 30.830 0.129 25007 4373 1 9 . 1 1 475 475 CYS H H 475 8.975 8.975 8.595 0.380 25007 4374 1 9 . 1 1 476 476 GLU N N 476 123.429 123.429 122.791 0.638 25007 4375 1 9 . 1 1 476 476 GLU HA H 476 5.508 5.508 4.713 0.795 25007 4376 1 9 . 1 1 476 476 GLU C C 476 175.188 175.188 175.051 0.137 25007 4377 1 9 . 1 1 476 476 GLU CA C 476 55.034 55.034 55.042 -0.008 25007 4378 1 9 . 1 1 476 476 GLU CB C 476 34.226 34.226 33.493 0.733 25007 4379 1 9 . 1 1 476 476 GLU H H 476 8.550 8.550 8.390 0.160 25007 4380 1 9 . 1 1 477 477 VAL N N 477 116.564 116.564 118.682 -2.118 25007 4381 1 9 . 1 1 477 477 VAL HA H 477 5.411 5.411 4.844 0.567 25007 4382 1 9 . 1 1 477 477 VAL C C 477 177.337 177.337 174.948 2.389 25007 4383 1 9 . 1 1 477 477 VAL CA C 477 58.807 58.807 58.818 -0.011 25007 4384 1 9 . 1 1 477 477 VAL CB C 477 33.847 33.847 34.231 -0.384 25007 4385 1 9 . 1 1 477 477 VAL H H 477 8.713 8.713 8.028 0.685 25007 4386 1 9 . 1 1 478 478 SER N N 478 111.232 111.232 115.789 -4.557 25007 4387 1 9 . 1 1 478 478 SER HA H 478 4.040 4.040 4.373 -0.333 25007 4388 1 9 . 1 1 478 478 SER C C 478 173.819 173.819 174.335 -0.516 25007 4389 1 9 . 1 1 478 478 SER CA C 478 61.120 61.120 59.443 1.677 25007 4390 1 9 . 1 1 478 478 SER CB C 478 63.537 63.537 63.797 -0.261 25007 4391 1 9 . 1 1 478 478 SER H H 478 8.756 8.756 8.500 0.256 25007 4392 1 9 . 1 1 479 479 GLU N N 479 116.963 116.963 119.711 -2.748 25007 4393 1 9 . 1 1 479 479 GLU HA H 479 4.846 4.846 4.449 0.397 25007 4394 1 9 . 1 1 479 479 GLU C C 479 175.936 175.936 174.834 1.102 25007 4395 1 9 . 1 1 479 479 GLU CA C 479 54.505 54.505 54.453 0.052 25007 4396 1 9 . 1 1 479 479 GLU CB C 479 33.938 33.938 32.345 1.593 25007 4397 1 9 . 1 1 479 479 GLU H H 479 6.771 6.771 7.705 -0.934 25007 4398 1 9 . 1 1 480 480 GLU N N 480 124.445 124.445 124.450 -0.005 25007 4399 1 9 . 1 1 480 480 GLU HA H 480 4.402 4.402 4.284 0.118 25007 4400 1 9 . 1 1 480 480 GLU C C 480 176.539 176.539 177.161 -0.622 25007 4401 1 9 . 1 1 480 480 GLU CA C 480 57.860 57.860 55.900 1.960 25007 4402 1 9 . 1 1 480 480 GLU CB C 480 30.072 30.072 29.523 0.549 25007 4403 1 9 . 1 1 480 480 GLU H H 480 9.224 9.224 8.668 0.556 25007 4404 1 9 . 1 1 481 481 GLY C C 481 174.358 174.358 174.438 -0.080 25007 4405 1 9 . 1 1 481 481 GLY CA C 481 45.799 45.799 45.645 0.154 25007 4406 1 9 . 1 1 482 482 ALA N N 482 121.272 121.272 122.002 -0.730 25007 4407 1 9 . 1 1 482 482 ALA HA H 482 4.369 4.369 4.295 0.074 25007 4408 1 9 . 1 1 482 482 ALA C C 482 177.182 177.182 176.718 0.464 25007 4409 1 9 . 1 1 482 482 ALA CA C 482 52.389 52.389 52.037 0.352 25007 4410 1 9 . 1 1 482 482 ALA CB C 482 20.558 20.558 20.371 0.187 25007 4411 1 9 . 1 1 482 482 ALA H H 482 7.407 7.407 7.714 -0.307 25007 4412 1 9 . 1 1 483 483 GLN N N 483 121.348 121.348 122.185 -0.837 25007 4413 1 9 . 1 1 483 483 GLN HA H 483 4.434 4.434 4.462 -0.028 25007 4414 1 9 . 1 1 483 483 GLN C C 483 175.702 175.702 174.890 0.812 25007 4415 1 9 . 1 1 483 483 GLN CA C 483 55.355 55.355 55.134 0.221 25007 4416 1 9 . 1 1 483 483 GLN CB C 483 28.785 28.785 27.287 1.498 25007 4417 1 9 . 1 1 483 483 GLN H H 483 8.508 8.508 8.668 -0.160 25007 4418 1 9 . 1 1 484 484 VAL N N 484 118.367 118.367 118.951 -0.584 25007 4419 1 9 . 1 1 484 484 VAL HA H 484 4.907 4.907 4.800 0.107 25007 4420 1 9 . 1 1 484 484 VAL C C 484 174.865 174.865 174.748 0.117 25007 4421 1 9 . 1 1 484 484 VAL CA C 484 58.403 58.403 59.977 -1.574 25007 4422 1 9 . 1 1 484 484 VAL CB C 484 34.477 34.477 34.592 -0.115 25007 4423 1 9 . 1 1 484 484 VAL H H 484 8.269 8.269 7.920 0.349 25007 4424 1 9 . 1 1 485 485 LYS N N 485 119.929 119.929 120.617 -0.688 25007 4425 1 9 . 1 1 485 485 LYS HA H 485 4.586 4.586 4.686 -0.100 25007 4426 1 9 . 1 1 485 485 LYS C C 485 173.947 173.947 174.326 -0.379 25007 4427 1 9 . 1 1 485 485 LYS CA C 485 54.986 54.986 54.436 0.550 25007 4428 1 9 . 1 1 485 485 LYS CB C 485 36.634 36.634 35.541 1.093 25007 4429 1 9 . 1 1 485 485 LYS H H 485 8.013 8.013 8.840 -0.827 25007 4430 1 9 . 1 1 486 486 TRP N N 486 123.614 123.614 121.175 2.439 25007 4431 1 9 . 1 1 486 486 TRP HA H 486 5.602 5.602 4.902 0.700 25007 4432 1 9 . 1 1 486 486 TRP C C 486 175.998 175.998 175.413 0.585 25007 4433 1 9 . 1 1 486 486 TRP CA C 486 55.808 55.808 56.710 -0.902 25007 4434 1 9 . 1 1 486 486 TRP CB C 486 32.003 32.003 30.920 1.083 25007 4435 1 9 . 1 1 486 486 TRP H H 486 8.776 8.776 8.700 0.076 25007 4436 1 9 . 1 1 487 487 LEU N N 487 121.275 121.275 123.587 -2.312 25007 4437 1 9 . 1 1 487 487 LEU HA H 487 5.181 5.181 5.168 0.013 25007 4438 1 9 . 1 1 487 487 LEU C C 487 175.805 175.805 175.068 0.737 25007 4439 1 9 . 1 1 487 487 LEU CA C 487 53.541 53.541 53.450 0.091 25007 4440 1 9 . 1 1 487 487 LEU CB C 487 46.105 46.105 45.907 0.198 25007 4441 1 9 . 1 1 487 487 LEU H H 487 9.581 9.581 8.488 1.093 25007 4442 1 9 . 1 1 488 488 LYS N N 488 119.146 119.146 123.025 -3.879 25007 4443 1 9 . 1 1 488 488 LYS HA H 488 4.439 4.439 4.470 -0.031 25007 4444 1 9 . 1 1 488 488 LYS C C 488 176.682 176.682 176.242 0.440 25007 4445 1 9 . 1 1 488 488 LYS CA C 488 55.102 55.102 54.618 0.484 25007 4446 1 9 . 1 1 488 488 LYS CB C 488 35.535 35.535 33.921 1.614 25007 4447 1 9 . 1 1 488 488 LYS H H 488 8.681 8.681 8.787 -0.106 25007 4448 1 9 . 1 1 489 489 ASP N N 489 130.284 130.284 127.914 2.370 25007 4449 1 9 . 1 1 489 489 ASP HA H 489 4.361 4.361 4.411 -0.050 25007 4450 1 9 . 1 1 489 489 ASP C C 489 176.145 176.145 176.026 0.119 25007 4451 1 9 . 1 1 489 489 ASP CA C 489 55.968 55.968 55.453 0.515 25007 4452 1 9 . 1 1 489 489 ASP CB C 489 40.051 40.051 40.018 0.033 25007 4453 1 9 . 1 1 489 489 ASP H H 489 9.860 9.860 9.401 0.459 25007 4454 1 9 . 1 1 490 490 GLY N N 490 101.712 101.712 103.750 -2.038 25007 4455 1 9 . 1 1 490 490 GLY C C 490 173.542 173.542 174.277 -0.735 25007 4456 1 9 . 1 1 490 490 GLY CA C 490 45.240 45.240 45.075 0.165 25007 4457 1 9 . 1 1 490 490 GLY H H 490 8.668 8.668 8.560 0.108 25007 4458 1 9 . 1 1 491 491 VAL N N 491 123.365 123.365 123.474 -0.109 25007 4459 1 9 . 1 1 491 491 VAL HA H 491 4.168 4.168 4.101 0.067 25007 4460 1 9 . 1 1 491 491 VAL C C 491 175.179 175.179 175.045 0.134 25007 4461 1 9 . 1 1 491 491 VAL CA C 491 61.629 61.629 61.666 -0.037 25007 4462 1 9 . 1 1 491 491 VAL CB C 491 33.515 33.515 32.931 0.584 25007 4463 1 9 . 1 1 491 491 VAL H H 491 7.917 7.917 7.613 0.304 25007 4464 1 9 . 1 1 492 492 GLU N N 492 127.979 127.979 127.939 0.040 25007 4465 1 9 . 1 1 492 492 GLU HA H 492 4.395 4.395 4.269 0.126 25007 4466 1 9 . 1 1 492 492 GLU C C 492 176.695 176.695 176.188 0.507 25007 4467 1 9 . 1 1 492 492 GLU CA C 492 57.585 57.585 56.441 1.145 25007 4468 1 9 . 1 1 492 492 GLU CB C 492 29.870 29.870 30.011 -0.141 25007 4469 1 9 . 1 1 492 492 GLU H H 492 8.759 8.759 8.795 -0.036 25007 4470 1 9 . 1 1 493 493 LEU N N 493 127.568 127.568 130.471 -2.903 25007 4471 1 9 . 1 1 493 493 LEU HA H 493 4.539 4.539 4.389 0.150 25007 4472 1 9 . 1 1 493 493 LEU C C 493 176.807 176.807 176.136 0.671 25007 4473 1 9 . 1 1 493 493 LEU CA C 493 54.305 54.305 53.855 0.450 25007 4474 1 9 . 1 1 493 493 LEU CB C 493 41.768 41.768 41.549 0.219 25007 4475 1 9 . 1 1 493 493 LEU H H 493 8.884 8.884 7.984 0.900 25007 4476 1 9 . 1 1 494 494 THR N N 494 115.006 115.006 117.306 -2.300 25007 4477 1 9 . 1 1 494 494 THR HA H 494 4.462 4.462 4.237 0.225 25007 4478 1 9 . 1 1 494 494 THR C C 494 174.638 174.638 175.225 -0.587 25007 4479 1 9 . 1 1 494 494 THR CA C 494 61.263 61.263 62.529 -1.266 25007 4480 1 9 . 1 1 494 494 THR CB C 494 70.112 70.112 69.881 0.231 25007 4481 1 9 . 1 1 494 494 THR H H 494 8.315 8.315 8.099 0.216 25007 4482 1 9 . 1 1 495 495 ARG N N 495 121.376 121.376 125.566 -4.190 25007 4483 1 9 . 1 1 495 495 ARG HA H 495 4.236 4.236 4.617 -0.381 25007 4484 1 9 . 1 1 495 495 ARG C C 495 176.661 176.661 176.802 -0.141 25007 4485 1 9 . 1 1 495 495 ARG CA C 495 56.528 56.528 55.772 0.756 25007 4486 1 9 . 1 1 495 495 ARG CB C 495 29.747 29.747 29.732 0.015 25007 4487 1 9 . 1 1 495 495 ARG H H 495 8.442 8.442 8.443 -0.001 25007 4488 1 9 . 1 1 496 496 GLU N N 496 120.213 120.213 120.980 -0.767 25007 4489 1 9 . 1 1 496 496 GLU HA H 496 4.300 4.300 4.200 0.100 25007 4490 1 9 . 1 1 496 496 GLU C C 496 176.615 176.615 176.418 0.197 25007 4491 1 9 . 1 1 496 496 GLU CA C 496 57.036 57.036 58.068 -1.032 25007 4492 1 9 . 1 1 496 496 GLU CB C 496 30.369 30.369 29.788 0.581 25007 4493 1 9 . 1 1 496 496 GLU H H 496 8.230 8.230 7.963 0.267 25007 4494 1 9 . 1 1 497 497 GLU N N 497 120.969 120.969 117.591 3.378 25007 4495 1 9 . 1 1 497 497 GLU HA H 497 4.432 4.432 4.463 -0.031 25007 4496 1 9 . 1 1 497 497 GLU C C 497 176.587 176.587 174.973 1.614 25007 4497 1 9 . 1 1 497 497 GLU CA C 497 56.731 56.731 55.778 0.953 25007 4498 1 9 . 1 1 497 497 GLU CB C 497 29.467 29.467 30.267 -0.801 25007 4499 1 9 . 1 1 497 497 GLU H H 497 8.286 8.286 7.826 0.460 25007 4500 1 9 . 1 1 498 498 THR N N 498 114.281 114.281 116.112 -1.831 25007 4501 1 9 . 1 1 498 498 THR HA H 498 4.540 4.540 4.667 -0.127 25007 4502 1 9 . 1 1 498 498 THR C C 498 174.512 174.512 173.872 0.640 25007 4503 1 9 . 1 1 498 498 THR CA C 498 61.494 61.494 60.460 1.034 25007 4504 1 9 . 1 1 498 498 THR CB C 498 70.298 70.298 69.640 0.658 25007 4505 1 9 . 1 1 498 498 THR H H 498 8.192 8.192 8.111 0.081 25007 4506 1 9 . 1 1 499 499 PHE N N 499 119.424 119.424 124.117 -4.693 25007 4507 1 9 . 1 1 499 499 PHE HA H 499 4.557 4.557 4.523 0.034 25007 4508 1 9 . 1 1 499 499 PHE C C 499 176.196 176.196 176.909 -0.713 25007 4509 1 9 . 1 1 499 499 PHE CA C 499 58.536 58.536 59.664 -1.128 25007 4510 1 9 . 1 1 499 499 PHE CB C 499 38.497 38.497 39.426 -0.929 25007 4511 1 9 . 1 1 499 499 PHE H H 499 8.191 8.191 8.655 -0.464 25007 4512 1 9 . 1 1 500 500 LYS N N 500 120.866 120.866 118.102 2.764 25007 4513 1 9 . 1 1 500 500 LYS HA H 500 4.011 4.011 4.109 -0.098 25007 4514 1 9 . 1 1 500 500 LYS C C 500 175.712 175.712 175.310 0.402 25007 4515 1 9 . 1 1 500 500 LYS CA C 500 57.773 57.773 57.925 -0.152 25007 4516 1 9 . 1 1 500 500 LYS CB C 500 33.363 33.363 32.916 0.447 25007 4517 1 9 . 1 1 500 500 LYS H H 500 7.848 7.848 8.302 -0.454 25007 4518 1 9 . 1 1 501 501 TYR N N 501 114.937 114.937 116.482 -1.545 25007 4519 1 9 . 1 1 501 501 TYR HA H 501 5.313 5.313 5.078 0.235 25007 4520 1 9 . 1 1 501 501 TYR C C 501 175.113 175.113 174.974 0.139 25007 4521 1 9 . 1 1 501 501 TYR CA C 501 55.044 55.044 57.014 -1.970 25007 4522 1 9 . 1 1 501 501 TYR CB C 501 41.727 41.727 40.274 1.453 25007 4523 1 9 . 1 1 501 501 TYR H H 501 7.214 7.214 7.419 -0.205 25007 4524 1 9 . 1 1 502 502 ARG N N 502 119.116 119.116 117.069 2.047 25007 4525 1 9 . 1 1 502 502 ARG HA H 502 4.543 4.543 4.548 -0.005 25007 4526 1 9 . 1 1 502 502 ARG C C 502 173.549 173.549 174.167 -0.618 25007 4527 1 9 . 1 1 502 502 ARG CA C 502 54.462 54.462 55.366 -0.904 25007 4528 1 9 . 1 1 502 502 ARG CB C 502 32.980 32.980 33.977 -0.997 25007 4529 1 9 . 1 1 502 502 ARG H H 502 8.663 8.663 7.942 0.721 25007 4530 1 9 . 1 1 503 503 PHE N N 503 121.105 121.105 124.448 -3.343 25007 4531 1 9 . 1 1 503 503 PHE HA H 503 5.281 5.281 5.111 0.170 25007 4532 1 9 . 1 1 503 503 PHE C C 503 176.268 176.268 176.410 -0.142 25007 4533 1 9 . 1 1 503 503 PHE CA C 503 55.736 55.736 57.698 -1.962 25007 4534 1 9 . 1 1 503 503 PHE CB C 503 41.345 41.345 39.544 1.800 25007 4535 1 9 . 1 1 503 503 PHE H H 503 8.691 8.691 8.811 -0.120 25007 4536 1 9 . 1 1 504 504 LYS N N 504 121.191 121.191 125.686 -4.495 25007 4537 1 9 . 1 1 504 504 LYS HA H 504 4.892 4.892 4.831 0.061 25007 4538 1 9 . 1 1 504 504 LYS C C 504 174.929 174.929 175.201 -0.272 25007 4539 1 9 . 1 1 504 504 LYS CA C 504 55.269 55.269 54.408 0.861 25007 4540 1 9 . 1 1 504 504 LYS CB C 504 36.405 36.405 35.057 1.348 25007 4541 1 9 . 1 1 504 504 LYS H H 504 8.914 8.914 9.101 -0.187 25007 4542 1 9 . 1 1 505 505 LYS N N 505 126.575 126.575 123.729 2.846 25007 4543 1 9 . 1 1 505 505 LYS HA H 505 4.860 4.860 4.570 0.290 25007 4544 1 9 . 1 1 505 505 LYS C C 505 174.542 174.542 175.412 -0.870 25007 4545 1 9 . 1 1 505 505 LYS CA C 505 55.484 55.484 55.400 0.084 25007 4546 1 9 . 1 1 505 505 LYS CB C 505 34.831 34.831 34.898 -0.067 25007 4547 1 9 . 1 1 505 505 LYS H H 505 8.822 8.822 8.709 0.113 25007 4548 1 9 . 1 1 506 506 ASP N N 506 125.932 125.932 128.753 -2.821 25007 4549 1 9 . 1 1 506 506 ASP HA H 506 4.814 4.814 4.931 -0.117 25007 4550 1 9 . 1 1 506 506 ASP C C 506 176.075 176.075 176.457 -0.382 25007 4551 1 9 . 1 1 506 506 ASP CA C 506 52.597 52.597 53.367 -0.770 25007 4552 1 9 . 1 1 506 506 ASP CB C 506 41.813 41.813 41.128 0.685 25007 4553 1 9 . 1 1 506 506 ASP H H 506 8.911 8.911 8.857 0.054 25007 4554 1 9 . 1 1 507 507 GLY N N 507 114.443 114.443 111.898 2.545 25007 4555 1 9 . 1 1 507 507 GLY C C 507 175.318 175.318 175.418 -0.100 25007 4556 1 9 . 1 1 507 507 GLY CA C 507 47.542 47.542 46.878 0.664 25007 4557 1 9 . 1 1 507 507 GLY H H 507 8.989 8.989 8.480 0.509 25007 4558 1 9 . 1 1 508 508 GLN N N 508 128.587 128.587 123.080 5.507 25007 4559 1 9 . 1 1 508 508 GLN HA H 508 4.546 4.546 4.548 -0.002 25007 4560 1 9 . 1 1 508 508 GLN C C 508 174.087 174.087 176.359 -2.272 25007 4561 1 9 . 1 1 508 508 GLN CA C 508 57.107 57.107 56.143 0.964 25007 4562 1 9 . 1 1 508 508 GLN CB C 508 30.198 30.198 30.358 -0.160 25007 4563 1 9 . 1 1 508 508 GLN H H 508 9.426 9.426 8.075 1.351 25007 4564 1 9 . 1 1 509 509 ARG N N 509 120.282 120.282 118.649 1.633 25007 4565 1 9 . 1 1 509 509 ARG HA H 509 4.971 4.971 4.952 0.019 25007 4566 1 9 . 1 1 509 509 ARG C C 509 174.531 174.531 174.861 -0.330 25007 4567 1 9 . 1 1 509 509 ARG CA C 509 56.149 56.149 54.730 1.419 25007 4568 1 9 . 1 1 509 509 ARG CB C 509 31.984 31.984 33.005 -1.021 25007 4569 1 9 . 1 1 509 509 ARG H H 509 8.185 8.185 7.670 0.515 25007 4570 1 9 . 1 1 510 510 HIS N N 510 122.738 122.738 119.059 3.679 25007 4571 1 9 . 1 1 510 510 HIS HA H 510 5.128 5.128 5.484 -0.356 25007 4572 1 9 . 1 1 510 510 HIS C C 510 174.763 174.763 174.899 -0.136 25007 4573 1 9 . 1 1 510 510 HIS CA C 510 56.499 56.499 54.651 1.848 25007 4574 1 9 . 1 1 510 510 HIS CB C 510 35.219 35.219 34.329 0.890 25007 4575 1 9 . 1 1 510 510 HIS H H 510 8.766 8.766 9.066 -0.300 25007 4576 1 9 . 1 1 511 511 HIS N N 511 118.975 118.975 120.403 -1.428 25007 4577 1 9 . 1 1 511 511 HIS HA H 511 6.074 6.074 5.346 0.728 25007 4578 1 9 . 1 1 511 511 HIS C C 511 173.805 173.805 173.804 0.001 25007 4579 1 9 . 1 1 511 511 HIS CA C 511 53.886 53.886 55.047 -1.161 25007 4580 1 9 . 1 1 511 511 HIS CB C 511 33.159 33.159 31.756 1.403 25007 4581 1 9 . 1 1 511 511 HIS H H 511 9.314 9.314 9.275 0.039 25007 4582 1 9 . 1 1 512 512 LEU N N 512 125.887 125.887 128.294 -2.407 25007 4583 1 9 . 1 1 512 512 LEU HA H 512 4.382 4.382 4.539 -0.157 25007 4584 1 9 . 1 1 512 512 LEU C C 512 174.018 174.018 174.518 -0.500 25007 4585 1 9 . 1 1 512 512 LEU CA C 512 54.038 54.038 53.483 0.554 25007 4586 1 9 . 1 1 512 512 LEU CB C 512 42.246 42.246 42.542 -0.296 25007 4587 1 9 . 1 1 512 512 LEU H H 512 8.403 8.403 8.830 -0.427 25007 4588 1 9 . 1 1 513 513 ILE N N 513 127.359 127.359 129.559 -2.200 25007 4589 1 9 . 1 1 513 513 ILE HA H 513 4.953 4.953 4.735 0.218 25007 4590 1 9 . 1 1 513 513 ILE C C 513 175.456 175.456 174.043 1.413 25007 4591 1 9 . 1 1 513 513 ILE CA C 513 59.184 59.184 59.010 0.174 25007 4592 1 9 . 1 1 513 513 ILE CB C 513 40.899 40.899 39.643 1.256 25007 4593 1 9 . 1 1 513 513 ILE H H 513 8.885 8.885 8.155 0.730 25007 4594 1 9 . 1 1 514 514 ILE N N 514 126.969 126.969 130.854 -3.885 25007 4595 1 9 . 1 1 514 514 ILE HA H 514 4.391 4.391 4.388 0.003 25007 4596 1 9 . 1 1 514 514 ILE C C 514 175.544 175.544 175.740 -0.196 25007 4597 1 9 . 1 1 514 514 ILE CA C 514 60.181 60.181 60.836 -0.655 25007 4598 1 9 . 1 1 514 514 ILE CB C 514 39.580 39.580 37.317 2.263 25007 4599 1 9 . 1 1 514 514 ILE H H 514 8.929 8.929 8.846 0.083 25007 4600 1 9 . 1 1 515 515 ASN N N 515 124.537 124.537 125.939 -1.402 25007 4601 1 9 . 1 1 515 515 ASN HA H 515 4.187 4.187 4.456 -0.269 25007 4602 1 9 . 1 1 515 515 ASN C C 515 174.955 174.955 175.175 -0.220 25007 4603 1 9 . 1 1 515 515 ASN CA C 515 57.082 57.082 56.302 0.780 25007 4604 1 9 . 1 1 515 515 ASN CB C 515 38.847 38.847 39.039 -0.192 25007 4605 1 9 . 1 1 515 515 ASN H H 515 8.112 8.112 8.831 -0.719 25007 4606 1 9 . 1 1 516 516 GLU N N 516 117.395 117.395 118.589 -1.194 25007 4607 1 9 . 1 1 516 516 GLU HA H 516 3.780 3.780 4.485 -0.705 25007 4608 1 9 . 1 1 516 516 GLU C C 516 173.992 173.992 174.217 -0.225 25007 4609 1 9 . 1 1 516 516 GLU CA C 516 55.067 55.067 55.384 -0.317 25007 4610 1 9 . 1 1 516 516 GLU CB C 516 31.592 31.592 31.267 0.324 25007 4611 1 9 . 1 1 516 516 GLU H H 516 8.156 8.156 7.812 0.344 25007 4612 1 9 . 1 1 517 517 ALA N N 517 125.988 125.988 129.658 -3.670 25007 4613 1 9 . 1 1 517 517 ALA HA H 517 4.145 4.145 4.607 -0.462 25007 4614 1 9 . 1 1 517 517 ALA C C 517 177.314 177.314 176.361 0.953 25007 4615 1 9 . 1 1 517 517 ALA CA C 517 53.495 53.495 51.490 2.005 25007 4616 1 9 . 1 1 517 517 ALA CB C 517 18.842 18.842 20.022 -1.180 25007 4617 1 9 . 1 1 517 517 ALA H H 517 8.703 8.703 8.170 0.533 25007 4618 1 9 . 1 1 518 518 MET N N 518 123.199 123.199 121.879 1.320 25007 4619 1 9 . 1 1 518 518 MET HA H 518 4.845 4.845 4.586 0.259 25007 4620 1 9 . 1 1 518 518 MET C C 518 177.647 177.647 177.312 0.335 25007 4621 1 9 . 1 1 518 518 MET CA C 518 53.070 53.070 53.286 -0.216 25007 4622 1 9 . 1 1 518 518 MET CB C 518 35.877 35.877 32.798 3.079 25007 4623 1 9 . 1 1 518 518 MET H H 518 9.802 9.802 8.879 0.923 25007 4624 1 9 . 1 1 519 519 LEU N N 519 123.266 123.266 121.817 1.449 25007 4625 1 9 . 1 1 519 519 LEU HA H 519 3.822 3.822 4.119 -0.297 25007 4626 1 9 . 1 1 519 519 LEU C C 519 180.760 180.760 179.524 1.236 25007 4627 1 9 . 1 1 519 519 LEU CA C 519 59.358 59.358 58.524 0.834 25007 4628 1 9 . 1 1 519 519 LEU CB C 519 40.910 40.910 40.714 0.196 25007 4629 1 9 . 1 1 519 519 LEU H H 519 9.097 9.097 8.460 0.637 25007 4630 1 9 . 1 1 520 520 GLU N N 520 115.379 115.379 117.090 -1.711 25007 4631 1 9 . 1 1 520 520 GLU HA H 520 4.243 4.243 4.251 -0.008 25007 4632 1 9 . 1 1 520 520 GLU C C 520 176.447 176.447 176.725 -0.278 25007 4633 1 9 . 1 1 520 520 GLU CA C 520 58.255 58.255 57.595 0.660 25007 4634 1 9 . 1 1 520 520 GLU CB C 520 28.497 28.497 29.143 -0.646 25007 4635 1 9 . 1 1 520 520 GLU H H 520 9.071 9.071 8.365 0.706 25007 4636 1 9 . 1 1 521 521 ASP N N 521 117.057 117.057 118.430 -1.373 25007 4637 1 9 . 1 1 521 521 ASP HA H 521 4.650 4.650 4.571 0.079 25007 4638 1 9 . 1 1 521 521 ASP C C 521 176.747 176.747 177.548 -0.801 25007 4639 1 9 . 1 1 521 521 ASP CA C 521 55.790 55.790 56.032 -0.242 25007 4640 1 9 . 1 1 521 521 ASP CB C 521 40.882 40.882 41.236 -0.354 25007 4641 1 9 . 1 1 521 521 ASP H H 521 8.089 8.089 7.414 0.675 25007 4642 1 9 . 1 1 522 522 ALA N N 522 123.576 123.576 121.787 1.789 25007 4643 1 9 . 1 1 522 522 ALA HA H 522 4.138 4.138 4.338 -0.200 25007 4644 1 9 . 1 1 522 522 ALA C C 522 176.493 176.493 178.018 -1.525 25007 4645 1 9 . 1 1 522 522 ALA CA C 522 53.668 53.668 54.179 -0.511 25007 4646 1 9 . 1 1 522 522 ALA CB C 522 19.822 19.822 19.134 0.688 25007 4647 1 9 . 1 1 522 522 ALA H H 522 7.560 7.560 7.394 0.166 25007 4648 1 9 . 1 1 523 523 GLY N N 523 107.939 107.939 106.179 1.760 25007 4649 1 9 . 1 1 523 523 GLY C C 523 171.581 171.581 173.129 -1.548 25007 4650 1 9 . 1 1 523 523 GLY CA C 523 44.966 44.966 45.507 -0.541 25007 4651 1 9 . 1 1 523 523 GLY H H 523 8.486 8.486 7.634 0.852 25007 4652 1 9 . 1 1 524 524 HIS N N 524 119.624 119.624 118.970 0.654 25007 4653 1 9 . 1 1 524 524 HIS HA H 524 5.284 5.284 4.931 0.353 25007 4654 1 9 . 1 1 524 524 HIS C C 524 174.529 174.529 174.525 0.004 25007 4655 1 9 . 1 1 524 524 HIS CA C 524 55.966 55.966 55.109 0.857 25007 4656 1 9 . 1 1 524 524 HIS CB C 524 29.911 29.911 30.573 -0.662 25007 4657 1 9 . 1 1 524 524 HIS H H 524 9.138 9.138 8.268 0.870 25007 4658 1 9 . 1 1 525 525 TYR N N 525 127.402 127.402 126.484 0.918 25007 4659 1 9 . 1 1 525 525 TYR HA H 525 5.188 5.188 4.859 0.329 25007 4660 1 9 . 1 1 525 525 TYR C C 525 173.765 173.765 174.336 -0.571 25007 4661 1 9 . 1 1 525 525 TYR CA C 525 57.235 57.235 58.674 -1.439 25007 4662 1 9 . 1 1 525 525 TYR CB C 525 40.847 40.847 39.478 1.369 25007 4663 1 9 . 1 1 525 525 TYR H H 525 9.571 9.571 8.231 1.340 25007 4664 1 9 . 1 1 526 526 ALA N N 526 121.895 121.895 125.944 -4.049 25007 4665 1 9 . 1 1 526 526 ALA HA H 526 5.595 5.595 4.990 0.605 25007 4666 1 9 . 1 1 526 526 ALA C C 526 175.256 175.256 174.709 0.547 25007 4667 1 9 . 1 1 526 526 ALA CA C 526 49.674 49.674 50.300 -0.626 25007 4668 1 9 . 1 1 526 526 ALA CB C 526 24.106 24.106 22.626 1.480 25007 4669 1 9 . 1 1 526 526 ALA H H 526 9.096 9.096 8.974 0.122 25007 4670 1 9 . 1 1 527 527 LEU N N 527 121.830 121.830 124.056 -2.226 25007 4671 1 9 . 1 1 527 527 LEU HA H 527 4.566 4.566 4.163 0.403 25007 4672 1 9 . 1 1 527 527 LEU C C 527 175.945 175.945 175.171 0.774 25007 4673 1 9 . 1 1 527 527 LEU CA C 527 52.867 52.867 53.984 -1.117 25007 4674 1 9 . 1 1 527 527 LEU CB C 527 42.946 42.946 43.110 -0.164 25007 4675 1 9 . 1 1 527 527 LEU H H 527 8.164 8.164 7.858 0.306 25007 4676 1 9 . 1 1 528 528 CYS N N 528 122.905 122.905 126.822 -3.917 25007 4677 1 9 . 1 1 528 528 CYS HA H 528 4.983 4.983 4.683 0.300 25007 4678 1 9 . 1 1 528 528 CYS C C 528 174.337 174.337 174.501 -0.164 25007 4679 1 9 . 1 1 528 528 CYS CA C 528 57.228 57.228 57.711 -0.483 25007 4680 1 9 . 1 1 528 528 CYS CB C 528 29.887 29.887 27.278 2.609 25007 4681 1 9 . 1 1 528 528 CYS H H 528 8.974 8.974 8.847 0.128 25007 4682 1 9 . 1 1 529 529 THR N N 529 116.293 116.293 116.564 -0.271 25007 4683 1 9 . 1 1 529 529 THR HA H 529 4.693 4.693 4.917 -0.224 25007 4684 1 9 . 1 1 529 529 THR C C 529 175.292 175.292 175.613 -0.321 25007 4685 1 9 . 1 1 529 529 THR CA C 529 59.531 59.531 59.468 0.062 25007 4686 1 9 . 1 1 529 529 THR CB C 529 71.282 71.282 70.982 0.300 25007 4687 1 9 . 1 1 529 529 THR H H 529 8.660 8.660 7.787 0.873 25007 4688 1 9 . 1 1 530 530 SER N N 530 115.090 115.090 115.366 -0.276 25007 4689 1 9 . 1 1 530 530 SER HA H 530 4.255 4.255 4.158 0.097 25007 4690 1 9 . 1 1 530 530 SER C C 530 175.719 175.719 175.200 0.519 25007 4691 1 9 . 1 1 530 530 SER CA C 530 59.970 59.970 59.752 0.218 25007 4692 1 9 . 1 1 530 530 SER CB C 530 62.914 62.914 62.769 0.145 25007 4693 1 9 . 1 1 530 530 SER H H 530 9.373 9.373 8.792 0.581 25007 4694 1 9 . 1 1 531 531 GLY N N 531 108.629 108.629 107.095 1.534 25007 4695 1 9 . 1 1 531 531 GLY C C 531 173.708 173.708 173.886 -0.178 25007 4696 1 9 . 1 1 531 531 GLY CA C 531 45.032 45.032 44.684 0.348 25007 4697 1 9 . 1 1 531 531 GLY H H 531 8.145 8.145 7.334 0.811 25007 4698 1 9 . 1 1 532 532 GLY N N 532 109.085 109.085 108.170 0.915 25007 4699 1 9 . 1 1 532 532 GLY C C 532 170.571 170.571 172.845 -2.274 25007 4700 1 9 . 1 1 532 532 GLY CA C 532 45.443 45.443 44.239 1.204 25007 4701 1 9 . 1 1 532 532 GLY H H 532 7.518 7.518 8.229 -0.711 25007 4702 1 9 . 1 1 533 533 GLN N N 533 116.769 116.769 124.446 -7.677 25007 4703 1 9 . 1 1 533 533 GLN HA H 533 5.329 5.329 4.539 0.790 25007 4704 1 9 . 1 1 533 533 GLN C C 533 174.087 174.087 174.424 -0.337 25007 4705 1 9 . 1 1 533 533 GLN CA C 533 54.453 54.453 54.796 -0.343 25007 4706 1 9 . 1 1 533 533 GLN CB C 533 32.474 32.474 30.387 2.087 25007 4707 1 9 . 1 1 533 533 GLN H H 533 8.302 8.302 8.456 -0.154 25007 4708 1 9 . 1 1 534 534 ALA N N 534 126.978 126.978 129.975 -2.997 25007 4709 1 9 . 1 1 534 534 ALA HA H 534 4.845 4.845 4.721 0.124 25007 4710 1 9 . 1 1 534 534 ALA C C 534 174.509 174.509 174.969 -0.460 25007 4711 1 9 . 1 1 534 534 ALA CA C 534 50.792 50.792 50.798 -0.006 25007 4712 1 9 . 1 1 534 534 ALA CB C 534 22.023 22.023 21.644 0.379 25007 4713 1 9 . 1 1 534 534 ALA H H 534 8.863 8.863 8.250 0.613 25007 4714 1 9 . 1 1 535 535 LEU N N 535 122.725 122.725 122.578 0.147 25007 4715 1 9 . 1 1 535 535 LEU HA H 535 5.386 5.386 4.929 0.457 25007 4716 1 9 . 1 1 535 535 LEU C C 535 176.477 176.477 175.180 1.297 25007 4717 1 9 . 1 1 535 535 LEU CA C 535 54.253 54.253 54.049 0.204 25007 4718 1 9 . 1 1 535 535 LEU CB C 535 46.315 46.315 45.274 1.041 25007 4719 1 9 . 1 1 535 535 LEU H H 535 8.438 8.438 8.396 0.042 25007 4720 1 9 . 1 1 536 536 ALA N N 536 125.405 125.405 128.156 -2.751 25007 4721 1 9 . 1 1 536 536 ALA HA H 536 4.740 4.740 4.805 -0.065 25007 4722 1 9 . 1 1 536 536 ALA C C 536 174.310 174.310 174.893 -0.583 25007 4723 1 9 . 1 1 536 536 ALA CA C 536 51.928 51.928 51.693 0.235 25007 4724 1 9 . 1 1 536 536 ALA CB C 536 24.477 24.477 22.705 1.772 25007 4725 1 9 . 1 1 536 536 ALA H H 536 9.336 9.336 9.076 0.260 25007 4726 1 9 . 1 1 537 537 GLU N N 537 121.895 121.895 119.612 2.283 25007 4727 1 9 . 1 1 537 537 GLU HA H 537 4.919 4.919 4.769 0.150 25007 4728 1 9 . 1 1 537 537 GLU C C 537 174.790 174.790 174.937 -0.147 25007 4729 1 9 . 1 1 537 537 GLU CA C 537 54.758 54.758 55.653 -0.895 25007 4730 1 9 . 1 1 537 537 GLU CB C 537 32.505 32.505 32.275 0.230 25007 4731 1 9 . 1 1 537 537 GLU H H 537 9.296 9.296 8.811 0.485 25007 4732 1 9 . 1 1 538 538 LEU N N 538 125.064 125.064 127.128 -2.064 25007 4733 1 9 . 1 1 538 538 LEU HA H 538 5.365 5.365 4.806 0.559 25007 4734 1 9 . 1 1 538 538 LEU C C 538 175.931 175.931 175.613 0.318 25007 4735 1 9 . 1 1 538 538 LEU CA C 538 53.389 53.389 54.043 -0.654 25007 4736 1 9 . 1 1 538 538 LEU CB C 538 45.315 45.315 44.400 0.915 25007 4737 1 9 . 1 1 538 538 LEU H H 538 9.274 9.274 8.307 0.967 25007 4738 1 9 . 1 1 539 539 ILE N N 539 130.885 130.885 125.945 4.940 25007 4739 1 9 . 1 1 539 539 ILE HA H 539 4.282 4.282 4.315 -0.033 25007 4740 1 9 . 1 1 539 539 ILE C C 539 173.958 173.958 174.382 -0.424 25007 4741 1 9 . 1 1 539 539 ILE CA C 539 61.171 61.171 60.258 0.914 25007 4742 1 9 . 1 1 539 539 ILE CB C 539 39.901 39.901 40.066 -0.165 25007 4743 1 9 . 1 1 539 539 ILE H H 539 8.867 8.867 8.458 0.409 25007 4744 1 9 . 1 1 540 540 VAL N N 540 125.478 125.478 127.259 -1.781 25007 4745 1 9 . 1 1 540 540 VAL HA H 540 4.770 4.770 4.950 -0.180 25007 4746 1 9 . 1 1 540 540 VAL C C 540 174.948 174.948 175.321 -0.373 25007 4747 1 9 . 1 1 540 540 VAL CA C 540 60.316 60.316 61.026 -0.710 25007 4748 1 9 . 1 1 540 540 VAL CB C 540 33.691 33.691 33.785 -0.094 25007 4749 1 9 . 1 1 540 540 VAL H H 540 7.880 7.880 8.589 -0.709 25007 4750 1 9 . 1 1 541 541 GLN N N 541 126.082 126.082 126.624 -0.542 25007 4751 1 9 . 1 1 541 541 GLN HA H 541 4.618 4.618 4.678 -0.060 25007 4752 1 9 . 1 1 541 541 GLN C C 541 174.952 174.952 174.514 0.438 25007 4753 1 9 . 1 1 541 541 GLN CA C 541 54.372 54.372 53.814 0.558 25007 4754 1 9 . 1 1 541 541 GLN CB C 541 31.571 31.571 32.397 -0.826 25007 4755 1 9 . 1 1 541 541 GLN H H 541 9.066 9.066 8.212 0.854 25007 4756 1 9 . 1 1 542 542 GLU N N 542 122.178 122.178 122.524 -0.346 25007 4757 1 9 . 1 1 542 542 GLU HA H 542 4.312 4.312 4.304 0.008 25007 4758 1 9 . 1 1 542 542 GLU C C 542 175.419 175.419 175.368 0.051 25007 4759 1 9 . 1 1 542 542 GLU CA C 542 57.108 57.108 56.548 0.560 25007 4760 1 9 . 1 1 542 542 GLU CB C 542 31.266 31.266 30.061 1.205 25007 4761 1 9 . 1 1 542 542 GLU H H 542 8.742 8.742 8.625 0.117 25007 4762 1 10 . 1 1 451 451 HIS HA H 451 4.656 4.656 4.695 -0.039 25007 4763 1 10 . 1 1 451 451 HIS C C 451 174.793 174.793 174.739 0.054 25007 4764 1 10 . 1 1 451 451 HIS CA C 451 55.947 55.947 56.122 -0.175 25007 4765 1 10 . 1 1 451 451 HIS CB C 451 29.903 29.903 30.177 -0.274 25007 4766 1 10 . 1 1 452 452 MET N N 452 123.193 123.193 125.687 -2.494 25007 4767 1 10 . 1 1 452 452 MET C C 452 173.991 173.991 174.046 -0.055 25007 4768 1 10 . 1 1 452 452 MET CA C 452 53.192 53.192 52.606 0.586 25007 4769 1 10 . 1 1 452 452 MET CB C 452 31.977 31.977 32.323 -0.346 25007 4770 1 10 . 1 1 452 452 MET H H 452 8.342 8.342 8.439 -0.097 25007 4771 1 10 . 1 1 453 453 PRO HA H 453 4.293 4.293 4.475 -0.182 25007 4772 1 10 . 1 1 453 453 PRO C C 453 175.733 175.733 176.101 -0.368 25007 4773 1 10 . 1 1 453 453 PRO CA C 453 62.734 62.734 61.902 0.832 25007 4774 1 10 . 1 1 453 453 PRO CB C 453 32.139 32.139 32.690 -0.550 25007 4775 1 10 . 1 1 454 454 VAL N N 454 122.227 122.227 121.145 1.082 25007 4776 1 10 . 1 1 454 454 VAL HA H 454 3.732 3.732 3.914 -0.182 25007 4777 1 10 . 1 1 454 454 VAL C C 454 175.296 175.296 176.137 -0.841 25007 4778 1 10 . 1 1 454 454 VAL CA C 454 63.126 63.126 62.839 0.287 25007 4779 1 10 . 1 1 454 454 VAL CB C 454 32.085 32.085 30.639 1.446 25007 4780 1 10 . 1 1 454 454 VAL H H 454 7.799 7.799 7.910 -0.111 25007 4781 1 10 . 1 1 455 455 LEU N N 455 129.419 129.419 129.233 0.186 25007 4782 1 10 . 1 1 455 455 LEU HA H 455 4.435 4.435 4.700 -0.265 25007 4783 1 10 . 1 1 455 455 LEU C C 455 176.294 176.294 175.380 0.914 25007 4784 1 10 . 1 1 455 455 LEU CA C 455 52.797 52.797 53.591 -0.794 25007 4785 1 10 . 1 1 455 455 LEU CB C 455 43.631 43.631 45.277 -1.646 25007 4786 1 10 . 1 1 455 455 LEU H H 455 8.571 8.571 8.435 0.136 25007 4787 1 10 . 1 1 456 456 ILE N N 456 120.867 120.867 122.104 -1.237 25007 4788 1 10 . 1 1 456 456 ILE HA H 456 4.229 4.229 4.530 -0.301 25007 4789 1 10 . 1 1 456 456 ILE C C 456 176.619 176.619 176.277 0.342 25007 4790 1 10 . 1 1 456 456 ILE CA C 456 60.780 60.780 60.619 0.161 25007 4791 1 10 . 1 1 456 456 ILE CB C 456 36.796 36.796 38.537 -1.741 25007 4792 1 10 . 1 1 456 456 ILE H H 456 8.507 8.507 8.293 0.214 25007 4793 1 10 . 1 1 457 457 THR N N 457 120.915 120.915 121.434 -0.519 25007 4794 1 10 . 1 1 457 457 THR HA H 457 4.285 4.285 4.297 -0.012 25007 4795 1 10 . 1 1 457 457 THR C C 457 175.963 175.963 174.927 1.036 25007 4796 1 10 . 1 1 457 457 THR CA C 457 62.753 62.753 62.892 -0.140 25007 4797 1 10 . 1 1 457 457 THR CB C 457 67.879 67.879 69.585 -1.706 25007 4798 1 10 . 1 1 457 457 THR H H 457 8.657 8.657 8.710 -0.053 25007 4799 1 10 . 1 1 458 458 ARG N N 458 122.699 122.699 123.635 -0.936 25007 4800 1 10 . 1 1 458 458 ARG HA H 458 4.923 4.923 4.902 0.021 25007 4801 1 10 . 1 1 458 458 ARG C C 458 173.213 173.213 173.668 -0.455 25007 4802 1 10 . 1 1 458 458 ARG CA C 458 53.918 53.918 52.508 1.410 25007 4803 1 10 . 1 1 458 458 ARG CB C 458 32.559 32.559 30.977 1.583 25007 4804 1 10 . 1 1 458 458 ARG H H 458 7.552 7.552 7.729 -0.177 25007 4805 1 10 . 1 1 459 459 PRO HA H 459 4.298 4.298 4.431 -0.133 25007 4806 1 10 . 1 1 459 459 PRO C C 459 175.741 175.741 176.582 -0.841 25007 4807 1 10 . 1 1 459 459 PRO CA C 459 62.575 62.575 62.504 0.071 25007 4808 1 10 . 1 1 459 459 PRO CB C 459 32.551 32.551 32.514 0.037 25007 4809 1 10 . 1 1 460 460 LEU N N 460 115.474 115.474 120.912 -5.438 25007 4810 1 10 . 1 1 460 460 LEU HA H 460 4.563 4.563 4.354 0.209 25007 4811 1 10 . 1 1 460 460 LEU C C 460 176.142 176.142 177.662 -1.520 25007 4812 1 10 . 1 1 460 460 LEU CA C 460 55.013 55.013 55.423 -0.410 25007 4813 1 10 . 1 1 460 460 LEU CB C 460 45.292 45.292 42.592 2.700 25007 4814 1 10 . 1 1 460 460 LEU H H 460 6.157 6.157 8.373 -2.216 25007 4815 1 10 . 1 1 461 461 GLU N N 461 120.613 120.613 120.370 0.243 25007 4816 1 10 . 1 1 461 461 GLU HA H 461 4.795 4.795 4.473 0.322 25007 4817 1 10 . 1 1 461 461 GLU C C 461 175.540 175.540 176.435 -0.895 25007 4818 1 10 . 1 1 461 461 GLU CA C 461 54.657 54.657 55.970 -1.313 25007 4819 1 10 . 1 1 461 461 GLU CB C 461 32.600 32.600 30.917 1.683 25007 4820 1 10 . 1 1 461 461 GLU H H 461 8.387 8.387 8.756 -0.369 25007 4821 1 10 . 1 1 462 462 ASP N N 462 122.579 122.579 118.464 4.115 25007 4822 1 10 . 1 1 462 462 ASP HA H 462 5.031 5.031 4.681 0.350 25007 4823 1 10 . 1 1 462 462 ASP C C 462 176.359 176.359 175.372 0.987 25007 4824 1 10 . 1 1 462 462 ASP CA C 462 55.433 55.433 54.310 1.123 25007 4825 1 10 . 1 1 462 462 ASP CB C 462 41.069 41.069 41.003 0.066 25007 4826 1 10 . 1 1 462 462 ASP H H 462 8.599 8.599 8.703 -0.104 25007 4827 1 10 . 1 1 463 463 GLN N N 463 117.028 117.028 116.834 0.194 25007 4828 1 10 . 1 1 463 463 GLN HA H 463 4.667 4.667 4.486 0.181 25007 4829 1 10 . 1 1 463 463 GLN C C 463 173.563 173.563 174.165 -0.602 25007 4830 1 10 . 1 1 463 463 GLN CA C 463 54.227 54.227 54.992 -0.765 25007 4831 1 10 . 1 1 463 463 GLN CB C 463 33.204 33.204 30.772 2.432 25007 4832 1 10 . 1 1 463 463 GLN H H 463 8.755 8.755 7.780 0.975 25007 4833 1 10 . 1 1 464 464 LEU N N 464 127.581 127.581 118.390 9.191 25007 4834 1 10 . 1 1 464 464 LEU HA H 464 5.307 5.307 4.868 0.439 25007 4835 1 10 . 1 1 464 464 LEU C C 464 175.838 175.838 175.719 0.119 25007 4836 1 10 . 1 1 464 464 LEU CA C 464 54.667 54.667 53.829 0.838 25007 4837 1 10 . 1 1 464 464 LEU CB C 464 44.018 44.018 43.374 0.644 25007 4838 1 10 . 1 1 464 464 LEU H H 464 8.415 8.415 8.252 0.163 25007 4839 1 10 . 1 1 465 465 VAL N N 465 119.279 119.279 116.095 3.184 25007 4840 1 10 . 1 1 465 465 VAL HA H 465 4.774 4.774 4.435 0.339 25007 4841 1 10 . 1 1 465 465 VAL C C 465 173.711 173.711 174.638 -0.927 25007 4842 1 10 . 1 1 465 465 VAL CA C 465 58.517 58.517 59.401 -0.884 25007 4843 1 10 . 1 1 465 465 VAL CB C 465 36.110 36.110 35.539 0.571 25007 4844 1 10 . 1 1 465 465 VAL H H 465 8.695 8.695 7.917 0.778 25007 4845 1 10 . 1 1 466 466 MET N N 466 119.214 119.214 118.616 0.598 25007 4846 1 10 . 1 1 466 466 MET HA H 466 5.247 5.247 5.151 0.096 25007 4847 1 10 . 1 1 466 466 MET C C 466 176.491 176.491 177.057 -0.566 25007 4848 1 10 . 1 1 466 466 MET CA C 466 52.783 52.783 54.180 -1.397 25007 4849 1 10 . 1 1 466 466 MET CB C 466 33.609 33.609 34.530 -0.921 25007 4850 1 10 . 1 1 466 466 MET H H 466 8.073 8.073 8.155 -0.082 25007 4851 1 10 . 1 1 467 467 VAL N N 467 119.566 119.566 120.589 -1.023 25007 4852 1 10 . 1 1 467 467 VAL HA H 467 3.420 3.420 4.178 -0.758 25007 4853 1 10 . 1 1 467 467 VAL C C 467 176.899 176.899 177.557 -0.658 25007 4854 1 10 . 1 1 467 467 VAL CA C 467 64.475 64.475 63.786 0.689 25007 4855 1 10 . 1 1 467 467 VAL CB C 467 32.180 32.180 31.189 0.991 25007 4856 1 10 . 1 1 467 467 VAL H H 467 7.891 7.891 8.251 -0.360 25007 4857 1 10 . 1 1 468 468 GLY N N 468 115.391 115.391 115.710 -0.319 25007 4858 1 10 . 1 1 468 468 GLY C C 468 174.446 174.446 173.484 0.962 25007 4859 1 10 . 1 1 468 468 GLY CA C 468 44.690 44.690 44.810 -0.120 25007 4860 1 10 . 1 1 468 468 GLY H H 468 9.784 9.784 8.360 1.424 25007 4861 1 10 . 1 1 469 469 GLN N N 469 120.312 120.312 121.087 -0.775 25007 4862 1 10 . 1 1 469 469 GLN HA H 469 4.396 4.396 4.472 -0.076 25007 4863 1 10 . 1 1 469 469 GLN C C 469 174.534 174.534 175.029 -0.495 25007 4864 1 10 . 1 1 469 469 GLN CA C 469 55.882 55.882 54.856 1.026 25007 4865 1 10 . 1 1 469 469 GLN CB C 469 30.330 30.330 30.983 -0.653 25007 4866 1 10 . 1 1 469 469 GLN H H 469 7.948 7.948 7.725 0.223 25007 4867 1 10 . 1 1 470 470 ARG N N 470 122.876 122.876 123.894 -1.018 25007 4868 1 10 . 1 1 470 470 ARG HA H 470 4.559 4.559 5.088 -0.529 25007 4869 1 10 . 1 1 470 470 ARG C C 470 175.944 175.944 175.196 0.748 25007 4870 1 10 . 1 1 470 470 ARG CA C 470 55.425 55.425 55.197 0.228 25007 4871 1 10 . 1 1 470 470 ARG CB C 470 31.418 31.418 31.346 0.072 25007 4872 1 10 . 1 1 470 470 ARG H H 470 8.133 8.133 8.450 -0.317 25007 4873 1 10 . 1 1 471 471 VAL N N 471 126.868 126.868 121.880 4.988 25007 4874 1 10 . 1 1 471 471 VAL HA H 471 4.125 4.125 4.248 -0.123 25007 4875 1 10 . 1 1 471 471 VAL C C 471 173.258 173.258 173.660 -0.402 25007 4876 1 10 . 1 1 471 471 VAL CA C 471 60.324 60.324 59.777 0.547 25007 4877 1 10 . 1 1 471 471 VAL CB C 471 34.719 34.719 35.292 -0.573 25007 4878 1 10 . 1 1 471 471 VAL H H 471 8.809 8.809 8.706 0.103 25007 4879 1 10 . 1 1 472 472 GLU N N 472 126.535 126.535 127.420 -0.885 25007 4880 1 10 . 1 1 472 472 GLU HA H 472 5.064 5.064 4.704 0.360 25007 4881 1 10 . 1 1 472 472 GLU C C 472 175.149 175.149 175.121 0.028 25007 4882 1 10 . 1 1 472 472 GLU CA C 472 54.581 54.581 54.522 0.059 25007 4883 1 10 . 1 1 472 472 GLU CB C 472 32.264 32.264 31.812 0.452 25007 4884 1 10 . 1 1 472 472 GLU H H 472 8.650 8.650 8.277 0.373 25007 4885 1 10 . 1 1 473 473 PHE N N 473 125.481 125.481 125.171 0.310 25007 4886 1 10 . 1 1 473 473 PHE HA H 473 4.731 4.731 4.920 -0.189 25007 4887 1 10 . 1 1 473 473 PHE C C 473 175.039 175.039 174.883 0.156 25007 4888 1 10 . 1 1 473 473 PHE CA C 473 57.568 57.568 56.791 0.777 25007 4889 1 10 . 1 1 473 473 PHE CB C 473 41.957 41.957 40.596 1.361 25007 4890 1 10 . 1 1 473 473 PHE H H 473 9.269 9.269 9.229 0.040 25007 4891 1 10 . 1 1 474 474 GLU N N 474 120.740 120.740 125.502 -4.762 25007 4892 1 10 . 1 1 474 474 GLU HA H 474 5.345 5.345 4.637 0.708 25007 4893 1 10 . 1 1 474 474 GLU C C 474 174.352 174.352 175.221 -0.869 25007 4894 1 10 . 1 1 474 474 GLU CA C 474 54.701 54.701 55.385 -0.684 25007 4895 1 10 . 1 1 474 474 GLU CB C 474 33.357 33.357 32.266 1.091 25007 4896 1 10 . 1 1 474 474 GLU H H 474 8.464 8.464 10.011 -1.547 25007 4897 1 10 . 1 1 475 475 CYS N N 475 121.489 121.489 126.213 -4.724 25007 4898 1 10 . 1 1 475 475 CYS HA H 475 4.808 4.808 5.178 -0.370 25007 4899 1 10 . 1 1 475 475 CYS C C 475 172.098 172.098 172.959 -0.861 25007 4900 1 10 . 1 1 475 475 CYS CA C 475 56.609 56.609 57.454 -0.845 25007 4901 1 10 . 1 1 475 475 CYS CB C 475 30.959 30.959 30.423 0.536 25007 4902 1 10 . 1 1 475 475 CYS H H 475 8.975 8.975 8.379 0.596 25007 4903 1 10 . 1 1 476 476 GLU N N 476 123.429 123.429 128.121 -4.692 25007 4904 1 10 . 1 1 476 476 GLU HA H 476 5.508 5.508 5.094 0.414 25007 4905 1 10 . 1 1 476 476 GLU C C 476 175.188 175.188 175.420 -0.232 25007 4906 1 10 . 1 1 476 476 GLU CA C 476 55.034 55.034 55.026 0.008 25007 4907 1 10 . 1 1 476 476 GLU CB C 476 34.226 34.226 32.571 1.655 25007 4908 1 10 . 1 1 476 476 GLU H H 476 8.550 8.550 8.250 0.300 25007 4909 1 10 . 1 1 477 477 VAL N N 477 116.564 116.564 119.084 -2.520 25007 4910 1 10 . 1 1 477 477 VAL HA H 477 5.411 5.411 5.146 0.265 25007 4911 1 10 . 1 1 477 477 VAL C C 477 177.337 177.337 175.368 1.969 25007 4912 1 10 . 1 1 477 477 VAL CA C 477 58.807 58.807 58.423 0.384 25007 4913 1 10 . 1 1 477 477 VAL CB C 477 33.847 33.847 34.636 -0.789 25007 4914 1 10 . 1 1 477 477 VAL H H 477 8.713 8.713 8.568 0.145 25007 4915 1 10 . 1 1 478 478 SER N N 478 111.232 111.232 114.431 -3.199 25007 4916 1 10 . 1 1 478 478 SER HA H 478 4.040 4.040 4.356 -0.316 25007 4917 1 10 . 1 1 478 478 SER C C 478 173.819 173.819 174.807 -0.988 25007 4918 1 10 . 1 1 478 478 SER CA C 478 61.120 61.120 60.134 0.986 25007 4919 1 10 . 1 1 478 478 SER CB C 478 63.537 63.537 63.961 -0.424 25007 4920 1 10 . 1 1 478 478 SER H H 478 8.756 8.756 8.376 0.380 25007 4921 1 10 . 1 1 479 479 GLU N N 479 116.963 116.963 120.766 -3.803 25007 4922 1 10 . 1 1 479 479 GLU HA H 479 4.846 4.846 4.475 0.371 25007 4923 1 10 . 1 1 479 479 GLU C C 479 175.936 175.936 175.387 0.549 25007 4924 1 10 . 1 1 479 479 GLU CA C 479 54.505 54.505 54.514 -0.009 25007 4925 1 10 . 1 1 479 479 GLU CB C 479 33.938 33.938 31.797 2.141 25007 4926 1 10 . 1 1 479 479 GLU H H 479 6.771 6.771 8.025 -1.254 25007 4927 1 10 . 1 1 480 480 GLU N N 480 124.445 124.445 125.375 -0.930 25007 4928 1 10 . 1 1 480 480 GLU HA H 480 4.402 4.402 4.268 0.134 25007 4929 1 10 . 1 1 480 480 GLU C C 480 176.539 176.539 177.255 -0.716 25007 4930 1 10 . 1 1 480 480 GLU CA C 480 57.860 57.860 56.522 1.338 25007 4931 1 10 . 1 1 480 480 GLU CB C 480 30.072 30.072 28.935 1.137 25007 4932 1 10 . 1 1 480 480 GLU H H 480 9.224 9.224 8.819 0.405 25007 4933 1 10 . 1 1 481 481 GLY C C 481 174.358 174.358 174.266 0.092 25007 4934 1 10 . 1 1 481 481 GLY CA C 481 45.799 45.799 45.669 0.131 25007 4935 1 10 . 1 1 482 482 ALA N N 482 121.272 121.272 121.425 -0.153 25007 4936 1 10 . 1 1 482 482 ALA HA H 482 4.369 4.369 4.399 -0.030 25007 4937 1 10 . 1 1 482 482 ALA C C 482 177.182 177.182 177.561 -0.379 25007 4938 1 10 . 1 1 482 482 ALA CA C 482 52.389 52.389 52.206 0.183 25007 4939 1 10 . 1 1 482 482 ALA CB C 482 20.558 20.558 19.896 0.662 25007 4940 1 10 . 1 1 482 482 ALA H H 482 7.407 7.407 7.504 -0.097 25007 4941 1 10 . 1 1 483 483 GLN N N 483 121.348 121.348 120.046 1.302 25007 4942 1 10 . 1 1 483 483 GLN HA H 483 4.434 4.434 4.229 0.205 25007 4943 1 10 . 1 1 483 483 GLN C C 483 175.702 175.702 175.173 0.529 25007 4944 1 10 . 1 1 483 483 GLN CA C 483 55.355 55.355 56.258 -0.903 25007 4945 1 10 . 1 1 483 483 GLN CB C 483 28.785 28.785 27.365 1.420 25007 4946 1 10 . 1 1 483 483 GLN H H 483 8.508 8.508 8.627 -0.119 25007 4947 1 10 . 1 1 484 484 VAL N N 484 118.367 118.367 116.733 1.634 25007 4948 1 10 . 1 1 484 484 VAL HA H 484 4.907 4.907 4.415 0.492 25007 4949 1 10 . 1 1 484 484 VAL C C 484 174.865 174.865 174.574 0.291 25007 4950 1 10 . 1 1 484 484 VAL CA C 484 58.403 58.403 59.158 -0.755 25007 4951 1 10 . 1 1 484 484 VAL CB C 484 34.477 34.477 34.482 -0.005 25007 4952 1 10 . 1 1 484 484 VAL H H 484 8.269 8.269 7.786 0.483 25007 4953 1 10 . 1 1 485 485 LYS N N 485 119.929 119.929 123.871 -3.942 25007 4954 1 10 . 1 1 485 485 LYS HA H 485 4.586 4.586 4.648 -0.062 25007 4955 1 10 . 1 1 485 485 LYS C C 485 173.947 173.947 174.848 -0.901 25007 4956 1 10 . 1 1 485 485 LYS CA C 485 54.986 54.986 55.079 -0.093 25007 4957 1 10 . 1 1 485 485 LYS CB C 485 36.634 36.634 36.083 0.551 25007 4958 1 10 . 1 1 485 485 LYS H H 485 8.013 8.013 8.104 -0.091 25007 4959 1 10 . 1 1 486 486 TRP N N 486 123.614 123.614 125.450 -1.836 25007 4960 1 10 . 1 1 486 486 TRP HA H 486 5.602 5.602 4.746 0.856 25007 4961 1 10 . 1 1 486 486 TRP C C 486 175.998 175.998 175.133 0.865 25007 4962 1 10 . 1 1 486 486 TRP CA C 486 55.808 55.808 56.819 -1.011 25007 4963 1 10 . 1 1 486 486 TRP CB C 486 32.003 32.003 30.683 1.320 25007 4964 1 10 . 1 1 486 486 TRP H H 486 8.776 8.776 8.844 -0.068 25007 4965 1 10 . 1 1 487 487 LEU N N 487 121.275 121.275 125.252 -3.977 25007 4966 1 10 . 1 1 487 487 LEU HA H 487 5.181 5.181 5.045 0.136 25007 4967 1 10 . 1 1 487 487 LEU C C 487 175.805 175.805 175.191 0.614 25007 4968 1 10 . 1 1 487 487 LEU CA C 487 53.541 53.541 54.080 -0.538 25007 4969 1 10 . 1 1 487 487 LEU CB C 487 46.105 46.105 45.672 0.433 25007 4970 1 10 . 1 1 487 487 LEU H H 487 9.581 9.581 8.734 0.847 25007 4971 1 10 . 1 1 488 488 LYS N N 488 119.146 119.146 122.842 -3.696 25007 4972 1 10 . 1 1 488 488 LYS HA H 488 4.439 4.439 4.470 -0.031 25007 4973 1 10 . 1 1 488 488 LYS C C 488 176.682 176.682 176.051 0.631 25007 4974 1 10 . 1 1 488 488 LYS CA C 488 55.102 55.102 54.884 0.218 25007 4975 1 10 . 1 1 488 488 LYS CB C 488 35.535 35.535 33.831 1.704 25007 4976 1 10 . 1 1 488 488 LYS H H 488 8.681 8.681 9.045 -0.364 25007 4977 1 10 . 1 1 489 489 ASP N N 489 130.284 130.284 128.445 1.839 25007 4978 1 10 . 1 1 489 489 ASP HA H 489 4.361 4.361 4.345 0.016 25007 4979 1 10 . 1 1 489 489 ASP C C 489 176.145 176.145 176.173 -0.028 25007 4980 1 10 . 1 1 489 489 ASP CA C 489 55.968 55.968 55.399 0.569 25007 4981 1 10 . 1 1 489 489 ASP CB C 489 40.051 40.051 40.148 -0.097 25007 4982 1 10 . 1 1 489 489 ASP H H 489 9.860 9.860 9.349 0.511 25007 4983 1 10 . 1 1 490 490 GLY N N 490 101.712 101.712 103.665 -1.953 25007 4984 1 10 . 1 1 490 490 GLY C C 490 173.542 173.542 174.100 -0.558 25007 4985 1 10 . 1 1 490 490 GLY CA C 490 45.240 45.240 45.080 0.160 25007 4986 1 10 . 1 1 490 490 GLY H H 490 8.668 8.668 8.740 -0.072 25007 4987 1 10 . 1 1 491 491 VAL N N 491 123.365 123.365 123.856 -0.491 25007 4988 1 10 . 1 1 491 491 VAL HA H 491 4.168 4.168 4.183 -0.015 25007 4989 1 10 . 1 1 491 491 VAL C C 491 175.179 175.179 175.096 0.083 25007 4990 1 10 . 1 1 491 491 VAL CA C 491 61.629 61.629 60.883 0.746 25007 4991 1 10 . 1 1 491 491 VAL CB C 491 33.515 33.515 32.166 1.349 25007 4992 1 10 . 1 1 491 491 VAL H H 491 7.917 7.917 7.626 0.291 25007 4993 1 10 . 1 1 492 492 GLU N N 492 127.979 127.979 128.261 -0.282 25007 4994 1 10 . 1 1 492 492 GLU HA H 492 4.395 4.395 4.766 -0.371 25007 4995 1 10 . 1 1 492 492 GLU C C 492 176.695 176.695 176.324 0.371 25007 4996 1 10 . 1 1 492 492 GLU CA C 492 57.585 57.585 56.072 1.513 25007 4997 1 10 . 1 1 492 492 GLU CB C 492 29.870 29.870 30.745 -0.875 25007 4998 1 10 . 1 1 492 492 GLU H H 492 8.759 8.759 8.732 0.027 25007 4999 1 10 . 1 1 493 493 LEU N N 493 127.568 127.568 127.714 -0.146 25007 5000 1 10 . 1 1 493 493 LEU HA H 493 4.539 4.539 4.705 -0.166 25007 5001 1 10 . 1 1 493 493 LEU C C 493 176.807 176.807 177.033 -0.226 25007 5002 1 10 . 1 1 493 493 LEU CA C 493 54.305 54.305 54.542 -0.237 25007 5003 1 10 . 1 1 493 493 LEU CB C 493 41.768 41.768 42.261 -0.493 25007 5004 1 10 . 1 1 493 493 LEU H H 493 8.884 8.884 8.922 -0.038 25007 5005 1 10 . 1 1 494 494 THR N N 494 115.006 115.006 117.611 -2.605 25007 5006 1 10 . 1 1 494 494 THR HA H 494 4.462 4.462 4.348 0.114 25007 5007 1 10 . 1 1 494 494 THR C C 494 174.638 174.638 175.165 -0.527 25007 5008 1 10 . 1 1 494 494 THR CA C 494 61.263 61.263 61.968 -0.705 25007 5009 1 10 . 1 1 494 494 THR CB C 494 70.112 70.112 70.011 0.101 25007 5010 1 10 . 1 1 494 494 THR H H 494 8.315 8.315 8.814 -0.499 25007 5011 1 10 . 1 1 495 495 ARG N N 495 121.376 121.376 126.238 -4.862 25007 5012 1 10 . 1 1 495 495 ARG HA H 495 4.236 4.236 4.980 -0.744 25007 5013 1 10 . 1 1 495 495 ARG C C 495 176.661 176.661 176.734 -0.073 25007 5014 1 10 . 1 1 495 495 ARG CA C 495 56.528 56.528 55.155 1.373 25007 5015 1 10 . 1 1 495 495 ARG CB C 495 29.747 29.747 29.983 -0.236 25007 5016 1 10 . 1 1 495 495 ARG H H 495 8.442 8.442 8.528 -0.086 25007 5017 1 10 . 1 1 496 496 GLU N N 496 120.213 120.213 121.822 -1.609 25007 5018 1 10 . 1 1 496 496 GLU HA H 496 4.300 4.300 4.177 0.123 25007 5019 1 10 . 1 1 496 496 GLU C C 496 176.615 176.615 176.504 0.111 25007 5020 1 10 . 1 1 496 496 GLU CA C 496 57.036 57.036 58.495 -1.459 25007 5021 1 10 . 1 1 496 496 GLU CB C 496 30.369 30.369 29.940 0.429 25007 5022 1 10 . 1 1 496 496 GLU H H 496 8.230 8.230 8.055 0.175 25007 5023 1 10 . 1 1 497 497 GLU N N 497 120.969 120.969 118.141 2.828 25007 5024 1 10 . 1 1 497 497 GLU HA H 497 4.432 4.432 4.587 -0.155 25007 5025 1 10 . 1 1 497 497 GLU C C 497 176.587 176.587 174.800 1.787 25007 5026 1 10 . 1 1 497 497 GLU CA C 497 56.731 56.731 56.169 0.562 25007 5027 1 10 . 1 1 497 497 GLU CB C 497 29.467 29.467 31.172 -1.705 25007 5028 1 10 . 1 1 497 497 GLU H H 497 8.286 8.286 8.072 0.214 25007 5029 1 10 . 1 1 498 498 THR N N 498 114.281 114.281 116.859 -2.578 25007 5030 1 10 . 1 1 498 498 THR HA H 498 4.540 4.540 4.582 -0.042 25007 5031 1 10 . 1 1 498 498 THR C C 498 174.512 174.512 174.142 0.370 25007 5032 1 10 . 1 1 498 498 THR CA C 498 61.494 61.494 61.270 0.224 25007 5033 1 10 . 1 1 498 498 THR CB C 498 70.298 70.298 71.017 -0.719 25007 5034 1 10 . 1 1 498 498 THR H H 498 8.192 8.192 8.156 0.036 25007 5035 1 10 . 1 1 499 499 PHE N N 499 119.424 119.424 125.086 -5.662 25007 5036 1 10 . 1 1 499 499 PHE HA H 499 4.557 4.557 4.546 0.011 25007 5037 1 10 . 1 1 499 499 PHE C C 499 176.196 176.196 175.999 0.197 25007 5038 1 10 . 1 1 499 499 PHE CA C 499 58.536 58.536 59.174 -0.638 25007 5039 1 10 . 1 1 499 499 PHE CB C 499 38.497 38.497 39.598 -1.101 25007 5040 1 10 . 1 1 499 499 PHE H H 499 8.191 8.191 8.767 -0.576 25007 5041 1 10 . 1 1 500 500 LYS N N 500 120.866 120.866 118.331 2.535 25007 5042 1 10 . 1 1 500 500 LYS HA H 500 4.011 4.011 4.133 -0.122 25007 5043 1 10 . 1 1 500 500 LYS C C 500 175.712 175.712 175.083 0.629 25007 5044 1 10 . 1 1 500 500 LYS CA C 500 57.773 57.773 58.201 -0.428 25007 5045 1 10 . 1 1 500 500 LYS CB C 500 33.363 33.363 32.803 0.560 25007 5046 1 10 . 1 1 500 500 LYS H H 500 7.848 7.848 7.667 0.181 25007 5047 1 10 . 1 1 501 501 TYR N N 501 114.937 114.937 113.149 1.788 25007 5048 1 10 . 1 1 501 501 TYR HA H 501 5.313 5.313 5.629 -0.316 25007 5049 1 10 . 1 1 501 501 TYR C C 501 175.113 175.113 174.730 0.383 25007 5050 1 10 . 1 1 501 501 TYR CA C 501 55.044 55.044 54.996 0.048 25007 5051 1 10 . 1 1 501 501 TYR CB C 501 41.727 41.727 41.305 0.422 25007 5052 1 10 . 1 1 501 501 TYR H H 501 7.214 7.214 6.792 0.422 25007 5053 1 10 . 1 1 502 502 ARG N N 502 119.116 119.116 119.751 -0.635 25007 5054 1 10 . 1 1 502 502 ARG HA H 502 4.543 4.543 4.642 -0.099 25007 5055 1 10 . 1 1 502 502 ARG C C 502 173.549 173.549 174.673 -1.124 25007 5056 1 10 . 1 1 502 502 ARG CA C 502 54.462 54.462 54.320 0.142 25007 5057 1 10 . 1 1 502 502 ARG CB C 502 32.980 32.980 33.635 -0.655 25007 5058 1 10 . 1 1 502 502 ARG H H 502 8.663 8.663 8.471 0.192 25007 5059 1 10 . 1 1 503 503 PHE N N 503 121.105 121.105 122.668 -1.563 25007 5060 1 10 . 1 1 503 503 PHE HA H 503 5.281 5.281 5.264 0.017 25007 5061 1 10 . 1 1 503 503 PHE C C 503 176.268 176.268 176.616 -0.348 25007 5062 1 10 . 1 1 503 503 PHE CA C 503 55.736 55.736 57.569 -1.833 25007 5063 1 10 . 1 1 503 503 PHE CB C 503 41.345 41.345 39.807 1.538 25007 5064 1 10 . 1 1 503 503 PHE H H 503 8.691 8.691 8.781 -0.090 25007 5065 1 10 . 1 1 504 504 LYS N N 504 121.191 121.191 125.698 -4.507 25007 5066 1 10 . 1 1 504 504 LYS HA H 504 4.892 4.892 4.738 0.154 25007 5067 1 10 . 1 1 504 504 LYS C C 504 174.929 174.929 175.143 -0.214 25007 5068 1 10 . 1 1 504 504 LYS CA C 504 55.269 55.269 55.167 0.102 25007 5069 1 10 . 1 1 504 504 LYS CB C 504 36.405 36.405 34.438 1.967 25007 5070 1 10 . 1 1 504 504 LYS H H 504 8.914 8.914 9.043 -0.129 25007 5071 1 10 . 1 1 505 505 LYS N N 505 126.575 126.575 128.055 -1.480 25007 5072 1 10 . 1 1 505 505 LYS HA H 505 4.860 4.860 4.623 0.237 25007 5073 1 10 . 1 1 505 505 LYS C C 505 174.542 174.542 175.364 -0.822 25007 5074 1 10 . 1 1 505 505 LYS CA C 505 55.484 55.484 55.521 -0.037 25007 5075 1 10 . 1 1 505 505 LYS CB C 505 34.831 34.831 33.768 1.063 25007 5076 1 10 . 1 1 505 505 LYS H H 505 8.822 8.822 8.974 -0.152 25007 5077 1 10 . 1 1 506 506 ASP N N 506 125.932 125.932 125.246 0.686 25007 5078 1 10 . 1 1 506 506 ASP HA H 506 4.814 4.814 4.841 -0.027 25007 5079 1 10 . 1 1 506 506 ASP C C 506 176.075 176.075 175.856 0.219 25007 5080 1 10 . 1 1 506 506 ASP CA C 506 52.597 52.597 53.608 -1.011 25007 5081 1 10 . 1 1 506 506 ASP CB C 506 41.813 41.813 42.187 -0.374 25007 5082 1 10 . 1 1 506 506 ASP H H 506 8.911 8.911 8.118 0.793 25007 5083 1 10 . 1 1 507 507 GLY N N 507 114.443 114.443 112.298 2.145 25007 5084 1 10 . 1 1 507 507 GLY C C 507 175.318 175.318 174.527 0.791 25007 5085 1 10 . 1 1 507 507 GLY CA C 507 47.542 47.542 45.676 1.866 25007 5086 1 10 . 1 1 507 507 GLY H H 507 8.989 8.989 8.535 0.454 25007 5087 1 10 . 1 1 508 508 GLN N N 508 128.587 128.587 123.453 5.134 25007 5088 1 10 . 1 1 508 508 GLN HA H 508 4.546 4.546 4.469 0.077 25007 5089 1 10 . 1 1 508 508 GLN C C 508 174.087 174.087 176.107 -2.020 25007 5090 1 10 . 1 1 508 508 GLN CA C 508 57.107 57.107 55.932 1.175 25007 5091 1 10 . 1 1 508 508 GLN CB C 508 30.198 30.198 29.544 0.654 25007 5092 1 10 . 1 1 508 508 GLN H H 508 9.426 9.426 8.577 0.849 25007 5093 1 10 . 1 1 509 509 ARG N N 509 120.282 120.282 119.039 1.243 25007 5094 1 10 . 1 1 509 509 ARG HA H 509 4.971 4.971 4.820 0.151 25007 5095 1 10 . 1 1 509 509 ARG C C 509 174.531 174.531 175.047 -0.516 25007 5096 1 10 . 1 1 509 509 ARG CA C 509 56.149 56.149 54.904 1.245 25007 5097 1 10 . 1 1 509 509 ARG CB C 509 31.984 31.984 32.016 -0.032 25007 5098 1 10 . 1 1 509 509 ARG H H 509 8.185 8.185 7.251 0.934 25007 5099 1 10 . 1 1 510 510 HIS N N 510 122.738 122.738 121.908 0.830 25007 5100 1 10 . 1 1 510 510 HIS HA H 510 5.128 5.128 5.572 -0.444 25007 5101 1 10 . 1 1 510 510 HIS C C 510 174.763 174.763 174.661 0.102 25007 5102 1 10 . 1 1 510 510 HIS CA C 510 56.499 56.499 54.716 1.783 25007 5103 1 10 . 1 1 510 510 HIS CB C 510 35.219 35.219 32.128 3.091 25007 5104 1 10 . 1 1 510 510 HIS H H 510 8.766 8.766 9.127 -0.361 25007 5105 1 10 . 1 1 511 511 HIS N N 511 118.975 118.975 123.246 -4.271 25007 5106 1 10 . 1 1 511 511 HIS HA H 511 6.074 6.074 5.125 0.949 25007 5107 1 10 . 1 1 511 511 HIS C C 511 173.805 173.805 173.833 -0.028 25007 5108 1 10 . 1 1 511 511 HIS CA C 511 53.886 53.886 55.083 -1.197 25007 5109 1 10 . 1 1 511 511 HIS CB C 511 33.159 33.159 31.776 1.383 25007 5110 1 10 . 1 1 511 511 HIS H H 511 9.314 9.314 9.512 -0.198 25007 5111 1 10 . 1 1 512 512 LEU N N 512 125.887 125.887 128.063 -2.176 25007 5112 1 10 . 1 1 512 512 LEU HA H 512 4.382 4.382 4.618 -0.236 25007 5113 1 10 . 1 1 512 512 LEU C C 512 174.018 174.018 174.270 -0.252 25007 5114 1 10 . 1 1 512 512 LEU CA C 512 54.038 54.038 53.356 0.682 25007 5115 1 10 . 1 1 512 512 LEU CB C 512 42.246 42.246 43.214 -0.968 25007 5116 1 10 . 1 1 512 512 LEU H H 512 8.403 8.403 8.928 -0.525 25007 5117 1 10 . 1 1 513 513 ILE N N 513 127.359 127.359 128.947 -1.588 25007 5118 1 10 . 1 1 513 513 ILE HA H 513 4.953 4.953 4.556 0.397 25007 5119 1 10 . 1 1 513 513 ILE C C 513 175.456 175.456 174.679 0.777 25007 5120 1 10 . 1 1 513 513 ILE CA C 513 59.184 59.184 59.854 -0.670 25007 5121 1 10 . 1 1 513 513 ILE CB C 513 40.899 40.899 39.527 1.372 25007 5122 1 10 . 1 1 513 513 ILE H H 513 8.885 8.885 8.210 0.675 25007 5123 1 10 . 1 1 514 514 ILE N N 514 126.969 126.969 129.429 -2.460 25007 5124 1 10 . 1 1 514 514 ILE HA H 514 4.391 4.391 4.578 -0.187 25007 5125 1 10 . 1 1 514 514 ILE C C 514 175.544 175.544 175.991 -0.447 25007 5126 1 10 . 1 1 514 514 ILE CA C 514 60.181 60.181 61.036 -0.855 25007 5127 1 10 . 1 1 514 514 ILE CB C 514 39.580 39.580 37.555 2.025 25007 5128 1 10 . 1 1 514 514 ILE H H 514 8.929 8.929 9.066 -0.137 25007 5129 1 10 . 1 1 515 515 ASN N N 515 124.537 124.537 126.531 -1.994 25007 5130 1 10 . 1 1 515 515 ASN HA H 515 4.187 4.187 4.533 -0.346 25007 5131 1 10 . 1 1 515 515 ASN C C 515 174.955 174.955 175.664 -0.709 25007 5132 1 10 . 1 1 515 515 ASN CA C 515 57.082 57.082 56.146 0.936 25007 5133 1 10 . 1 1 515 515 ASN CB C 515 38.847 38.847 39.095 -0.248 25007 5134 1 10 . 1 1 515 515 ASN H H 515 8.112 8.112 9.116 -1.004 25007 5135 1 10 . 1 1 516 516 GLU N N 516 117.395 117.395 119.090 -1.695 25007 5136 1 10 . 1 1 516 516 GLU HA H 516 3.780 3.780 4.503 -0.723 25007 5137 1 10 . 1 1 516 516 GLU C C 516 173.992 173.992 174.602 -0.610 25007 5138 1 10 . 1 1 516 516 GLU CA C 516 55.067 55.067 55.362 -0.295 25007 5139 1 10 . 1 1 516 516 GLU CB C 516 31.592 31.592 31.422 0.170 25007 5140 1 10 . 1 1 516 516 GLU H H 516 8.156 8.156 7.502 0.654 25007 5141 1 10 . 1 1 517 517 ALA N N 517 125.988 125.988 129.490 -3.502 25007 5142 1 10 . 1 1 517 517 ALA HA H 517 4.145 4.145 4.640 -0.495 25007 5143 1 10 . 1 1 517 517 ALA C C 517 177.314 177.314 175.977 1.337 25007 5144 1 10 . 1 1 517 517 ALA CA C 517 53.495 53.495 51.757 1.738 25007 5145 1 10 . 1 1 517 517 ALA CB C 517 18.842 18.842 20.549 -1.707 25007 5146 1 10 . 1 1 517 517 ALA H H 517 8.703 8.703 8.172 0.531 25007 5147 1 10 . 1 1 518 518 MET N N 518 123.199 123.199 121.927 1.272 25007 5148 1 10 . 1 1 518 518 MET HA H 518 4.845 4.845 4.833 0.012 25007 5149 1 10 . 1 1 518 518 MET C C 518 177.647 177.647 176.904 0.743 25007 5150 1 10 . 1 1 518 518 MET CA C 518 53.070 53.070 52.682 0.388 25007 5151 1 10 . 1 1 518 518 MET CB C 518 35.877 35.877 35.218 0.659 25007 5152 1 10 . 1 1 518 518 MET H H 518 9.802 9.802 8.550 1.252 25007 5153 1 10 . 1 1 519 519 LEU N N 519 123.266 123.266 122.419 0.847 25007 5154 1 10 . 1 1 519 519 LEU HA H 519 3.822 3.822 4.100 -0.278 25007 5155 1 10 . 1 1 519 519 LEU C C 519 180.760 180.760 179.506 1.254 25007 5156 1 10 . 1 1 519 519 LEU CA C 519 59.358 59.358 58.541 0.818 25007 5157 1 10 . 1 1 519 519 LEU CB C 519 40.910 40.910 40.632 0.278 25007 5158 1 10 . 1 1 519 519 LEU H H 519 9.097 9.097 8.554 0.543 25007 5159 1 10 . 1 1 520 520 GLU N N 520 115.379 115.379 117.433 -2.054 25007 5160 1 10 . 1 1 520 520 GLU HA H 520 4.243 4.243 4.219 0.024 25007 5161 1 10 . 1 1 520 520 GLU C C 520 176.447 176.447 176.692 -0.245 25007 5162 1 10 . 1 1 520 520 GLU CA C 520 58.255 58.255 57.811 0.444 25007 5163 1 10 . 1 1 520 520 GLU CB C 520 28.497 28.497 29.332 -0.835 25007 5164 1 10 . 1 1 520 520 GLU H H 520 9.071 9.071 8.360 0.711 25007 5165 1 10 . 1 1 521 521 ASP N N 521 117.057 117.057 118.296 -1.239 25007 5166 1 10 . 1 1 521 521 ASP HA H 521 4.650 4.650 4.594 0.056 25007 5167 1 10 . 1 1 521 521 ASP C C 521 176.747 176.747 177.546 -0.799 25007 5168 1 10 . 1 1 521 521 ASP CA C 521 55.790 55.790 55.552 0.238 25007 5169 1 10 . 1 1 521 521 ASP CB C 521 40.882 40.882 41.215 -0.333 25007 5170 1 10 . 1 1 521 521 ASP H H 521 8.089 8.089 7.421 0.668 25007 5171 1 10 . 1 1 522 522 ALA N N 522 123.576 123.576 122.095 1.481 25007 5172 1 10 . 1 1 522 522 ALA HA H 522 4.138 4.138 4.298 -0.160 25007 5173 1 10 . 1 1 522 522 ALA C C 522 176.493 176.493 178.098 -1.605 25007 5174 1 10 . 1 1 522 522 ALA CA C 522 53.668 53.668 54.109 -0.442 25007 5175 1 10 . 1 1 522 522 ALA CB C 522 19.822 19.822 18.800 1.022 25007 5176 1 10 . 1 1 522 522 ALA H H 522 7.560 7.560 7.535 0.025 25007 5177 1 10 . 1 1 523 523 GLY N N 523 107.939 107.939 106.454 1.485 25007 5178 1 10 . 1 1 523 523 GLY C C 523 171.581 171.581 173.097 -1.516 25007 5179 1 10 . 1 1 523 523 GLY CA C 523 44.966 44.966 45.271 -0.305 25007 5180 1 10 . 1 1 523 523 GLY H H 523 8.486 8.486 7.692 0.794 25007 5181 1 10 . 1 1 524 524 HIS N N 524 119.624 119.624 119.009 0.615 25007 5182 1 10 . 1 1 524 524 HIS HA H 524 5.284 5.284 4.973 0.311 25007 5183 1 10 . 1 1 524 524 HIS C C 524 174.529 174.529 174.573 -0.044 25007 5184 1 10 . 1 1 524 524 HIS CA C 524 55.966 55.966 54.872 1.094 25007 5185 1 10 . 1 1 524 524 HIS CB C 524 29.911 29.911 30.696 -0.785 25007 5186 1 10 . 1 1 524 524 HIS H H 524 9.138 9.138 8.219 0.919 25007 5187 1 10 . 1 1 525 525 TYR N N 525 127.402 127.402 125.603 1.799 25007 5188 1 10 . 1 1 525 525 TYR HA H 525 5.188 5.188 4.983 0.205 25007 5189 1 10 . 1 1 525 525 TYR C C 525 173.765 173.765 174.353 -0.588 25007 5190 1 10 . 1 1 525 525 TYR CA C 525 57.235 57.235 57.992 -0.756 25007 5191 1 10 . 1 1 525 525 TYR CB C 525 40.847 40.847 39.463 1.384 25007 5192 1 10 . 1 1 525 525 TYR H H 525 9.571 9.571 8.613 0.958 25007 5193 1 10 . 1 1 526 526 ALA N N 526 121.895 121.895 126.918 -5.023 25007 5194 1 10 . 1 1 526 526 ALA HA H 526 5.595 5.595 5.259 0.336 25007 5195 1 10 . 1 1 526 526 ALA C C 526 175.256 175.256 175.075 0.181 25007 5196 1 10 . 1 1 526 526 ALA CA C 526 49.674 49.674 50.336 -0.662 25007 5197 1 10 . 1 1 526 526 ALA CB C 526 24.106 24.106 22.129 1.977 25007 5198 1 10 . 1 1 526 526 ALA H H 526 9.096 9.096 9.300 -0.204 25007 5199 1 10 . 1 1 527 527 LEU N N 527 121.830 121.830 125.264 -3.434 25007 5200 1 10 . 1 1 527 527 LEU HA H 527 4.566 4.566 4.669 -0.103 25007 5201 1 10 . 1 1 527 527 LEU C C 527 175.945 175.945 175.181 0.764 25007 5202 1 10 . 1 1 527 527 LEU CA C 527 52.867 52.867 53.850 -0.983 25007 5203 1 10 . 1 1 527 527 LEU CB C 527 42.946 42.946 43.933 -0.987 25007 5204 1 10 . 1 1 527 527 LEU H H 527 8.164 8.164 8.348 -0.184 25007 5205 1 10 . 1 1 528 528 CYS N N 528 122.905 122.905 126.965 -4.060 25007 5206 1 10 . 1 1 528 528 CYS HA H 528 4.983 4.983 4.772 0.211 25007 5207 1 10 . 1 1 528 528 CYS C C 528 174.337 174.337 174.457 -0.120 25007 5208 1 10 . 1 1 528 528 CYS CA C 528 57.228 57.228 57.509 -0.281 25007 5209 1 10 . 1 1 528 528 CYS CB C 528 29.887 29.887 27.469 2.418 25007 5210 1 10 . 1 1 528 528 CYS H H 528 8.974 8.974 8.955 0.019 25007 5211 1 10 . 1 1 529 529 THR N N 529 116.293 116.293 115.979 0.314 25007 5212 1 10 . 1 1 529 529 THR HA H 529 4.693 4.693 4.871 -0.178 25007 5213 1 10 . 1 1 529 529 THR C C 529 175.292 175.292 175.561 -0.269 25007 5214 1 10 . 1 1 529 529 THR CA C 529 59.531 59.531 59.482 0.049 25007 5215 1 10 . 1 1 529 529 THR CB C 529 71.282 71.282 71.026 0.256 25007 5216 1 10 . 1 1 529 529 THR H H 529 8.660 8.660 7.773 0.887 25007 5217 1 10 . 1 1 530 530 SER N N 530 115.090 115.090 115.141 -0.051 25007 5218 1 10 . 1 1 530 530 SER HA H 530 4.255 4.255 4.125 0.130 25007 5219 1 10 . 1 1 530 530 SER C C 530 175.719 175.719 175.134 0.585 25007 5220 1 10 . 1 1 530 530 SER CA C 530 59.970 59.970 59.976 -0.006 25007 5221 1 10 . 1 1 530 530 SER CB C 530 62.914 62.914 62.833 0.082 25007 5222 1 10 . 1 1 530 530 SER H H 530 9.373 9.373 8.822 0.551 25007 5223 1 10 . 1 1 531 531 GLY N N 531 108.629 108.629 106.816 1.813 25007 5224 1 10 . 1 1 531 531 GLY C C 531 173.708 173.708 173.870 -0.162 25007 5225 1 10 . 1 1 531 531 GLY CA C 531 45.032 45.032 44.539 0.493 25007 5226 1 10 . 1 1 531 531 GLY H H 531 8.145 8.145 7.372 0.773 25007 5227 1 10 . 1 1 532 532 GLY N N 532 109.085 109.085 107.389 1.696 25007 5228 1 10 . 1 1 532 532 GLY C C 532 170.571 170.571 172.375 -1.804 25007 5229 1 10 . 1 1 532 532 GLY CA C 532 45.443 45.443 44.153 1.290 25007 5230 1 10 . 1 1 532 532 GLY H H 532 7.518 7.518 8.197 -0.679 25007 5231 1 10 . 1 1 533 533 GLN N N 533 116.769 116.769 122.605 -5.836 25007 5232 1 10 . 1 1 533 533 GLN HA H 533 5.329 5.329 4.992 0.337 25007 5233 1 10 . 1 1 533 533 GLN C C 533 174.087 174.087 174.696 -0.609 25007 5234 1 10 . 1 1 533 533 GLN CA C 533 54.453 54.453 54.264 0.189 25007 5235 1 10 . 1 1 533 533 GLN CB C 533 32.474 32.474 31.850 0.624 25007 5236 1 10 . 1 1 533 533 GLN H H 533 8.302 8.302 8.292 0.010 25007 5237 1 10 . 1 1 534 534 ALA N N 534 126.978 126.978 128.788 -1.810 25007 5238 1 10 . 1 1 534 534 ALA HA H 534 4.845 4.845 4.708 0.137 25007 5239 1 10 . 1 1 534 534 ALA C C 534 174.509 174.509 174.699 -0.190 25007 5240 1 10 . 1 1 534 534 ALA CA C 534 50.792 50.792 51.025 -0.233 25007 5241 1 10 . 1 1 534 534 ALA CB C 534 22.023 22.023 21.884 0.139 25007 5242 1 10 . 1 1 534 534 ALA H H 534 8.863 8.863 8.294 0.569 25007 5243 1 10 . 1 1 535 535 LEU N N 535 122.725 122.725 124.392 -1.667 25007 5244 1 10 . 1 1 535 535 LEU HA H 535 5.386 5.386 5.292 0.094 25007 5245 1 10 . 1 1 535 535 LEU C C 535 176.477 176.477 175.388 1.089 25007 5246 1 10 . 1 1 535 535 LEU CA C 535 54.253 54.253 53.790 0.463 25007 5247 1 10 . 1 1 535 535 LEU CB C 535 46.315 46.315 45.625 0.690 25007 5248 1 10 . 1 1 535 535 LEU H H 535 8.438 8.438 8.591 -0.153 25007 5249 1 10 . 1 1 536 536 ALA N N 536 125.405 125.405 128.683 -3.278 25007 5250 1 10 . 1 1 536 536 ALA HA H 536 4.740 4.740 4.878 -0.138 25007 5251 1 10 . 1 1 536 536 ALA C C 536 174.310 174.310 175.758 -1.448 25007 5252 1 10 . 1 1 536 536 ALA CA C 536 51.928 51.928 50.593 1.335 25007 5253 1 10 . 1 1 536 536 ALA CB C 536 24.477 24.477 22.559 1.917 25007 5254 1 10 . 1 1 536 536 ALA H H 536 9.336 9.336 9.210 0.126 25007 5255 1 10 . 1 1 537 537 GLU N N 537 121.895 121.895 123.540 -1.645 25007 5256 1 10 . 1 1 537 537 GLU HA H 537 4.919 4.919 4.697 0.222 25007 5257 1 10 . 1 1 537 537 GLU C C 537 174.790 174.790 175.151 -0.361 25007 5258 1 10 . 1 1 537 537 GLU CA C 537 54.758 54.758 55.361 -0.603 25007 5259 1 10 . 1 1 537 537 GLU CB C 537 32.505 32.505 31.078 1.427 25007 5260 1 10 . 1 1 537 537 GLU H H 537 9.296 9.296 8.688 0.608 25007 5261 1 10 . 1 1 538 538 LEU N N 538 125.064 125.064 127.403 -2.339 25007 5262 1 10 . 1 1 538 538 LEU HA H 538 5.365 5.365 4.801 0.564 25007 5263 1 10 . 1 1 538 538 LEU C C 538 175.931 175.931 175.077 0.854 25007 5264 1 10 . 1 1 538 538 LEU CA C 538 53.389 53.389 54.378 -0.989 25007 5265 1 10 . 1 1 538 538 LEU CB C 538 45.315 45.315 44.624 0.690 25007 5266 1 10 . 1 1 538 538 LEU H H 538 9.274 9.274 8.140 1.134 25007 5267 1 10 . 1 1 539 539 ILE N N 539 130.885 130.885 126.766 4.119 25007 5268 1 10 . 1 1 539 539 ILE HA H 539 4.282 4.282 4.246 0.036 25007 5269 1 10 . 1 1 539 539 ILE C C 539 173.958 173.958 174.511 -0.553 25007 5270 1 10 . 1 1 539 539 ILE CA C 539 61.171 61.171 59.611 1.560 25007 5271 1 10 . 1 1 539 539 ILE CB C 539 39.901 39.901 40.138 -0.237 25007 5272 1 10 . 1 1 539 539 ILE H H 539 8.867 8.867 8.471 0.396 25007 5273 1 10 . 1 1 540 540 VAL N N 540 125.478 125.478 127.384 -1.906 25007 5274 1 10 . 1 1 540 540 VAL HA H 540 4.770 4.770 4.655 0.115 25007 5275 1 10 . 1 1 540 540 VAL C C 540 174.948 174.948 176.052 -1.104 25007 5276 1 10 . 1 1 540 540 VAL CA C 540 60.316 60.316 61.020 -0.704 25007 5277 1 10 . 1 1 540 540 VAL CB C 540 33.691 33.691 32.247 1.444 25007 5278 1 10 . 1 1 540 540 VAL H H 540 7.880 7.880 8.574 -0.694 25007 5279 1 10 . 1 1 541 541 GLN N N 541 126.082 126.082 126.940 -0.858 25007 5280 1 10 . 1 1 541 541 GLN HA H 541 4.618 4.618 4.735 -0.117 25007 5281 1 10 . 1 1 541 541 GLN C C 541 174.952 174.952 174.517 0.435 25007 5282 1 10 . 1 1 541 541 GLN CA C 541 54.372 54.372 53.709 0.663 25007 5283 1 10 . 1 1 541 541 GLN CB C 541 31.571 31.571 31.806 -0.235 25007 5284 1 10 . 1 1 541 541 GLN H H 541 9.066 9.066 8.308 0.758 25007 5285 1 10 . 1 1 542 542 GLU N N 542 122.178 122.178 121.889 0.289 25007 5286 1 10 . 1 1 542 542 GLU HA H 542 4.312 4.312 4.571 -0.259 25007 5287 1 10 . 1 1 542 542 GLU C C 542 175.419 175.419 174.776 0.643 25007 5288 1 10 . 1 1 542 542 GLU CA C 542 57.108 57.108 56.053 1.055 25007 5289 1 10 . 1 1 542 542 GLU CB C 542 31.266 31.266 30.220 1.046 25007 5290 1 10 . 1 1 542 542 GLU H H 542 8.742 8.742 8.697 0.045 25007 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 88 2.810 0.780 2.715 25007 2 1 1 "Average Difference" HA 98 0.374 -0.066 0.370 25007 3 1 1 "Average Difference" C 92 0.757 0.116 0.752 25007 4 1 1 "Average Difference" CA 92 0.830 -0.068 0.831 25007 5 1 1 "Average Difference" CB 85 1.150 -0.434 1.071 25007 6 1 1 "Average Difference" HN 88 0.605 -0.204 0.573 25007 7 1 2 "Average Difference" N 88 2.734 0.642 2.673 25007 8 1 2 "Average Difference" HA 98 0.364 -0.053 0.362 25007 9 1 2 "Average Difference" C 92 0.869 0.127 0.864 25007 10 1 2 "Average Difference" CA 92 0.845 -0.006 0.849 25007 11 1 2 "Average Difference" CB 85 1.164 -0.386 1.104 25007 12 1 2 "Average Difference" HN 88 0.556 -0.149 0.539 25007 13 1 3 "Average Difference" N 88 2.755 0.950 2.601 25007 14 1 3 "Average Difference" HA 98 0.364 -0.082 0.357 25007 15 1 3 "Average Difference" C 92 0.818 0.158 0.807 25007 16 1 3 "Average Difference" CA 92 0.793 -0.037 0.797 25007 17 1 3 "Average Difference" CB 85 1.211 -0.523 1.099 25007 18 1 3 "Average Difference" HN 88 0.596 -0.136 0.584 25007 19 1 4 "Average Difference" N 88 2.694 0.905 2.552 25007 20 1 4 "Average Difference" HA 98 0.370 -0.059 0.367 25007 21 1 4 "Average Difference" C 92 0.805 0.157 0.794 25007 22 1 4 "Average Difference" CA 92 0.950 -0.120 0.948 25007 23 1 4 "Average Difference" CB 85 1.126 -0.468 1.030 25007 24 1 4 "Average Difference" HN 88 0.575 -0.131 0.563 25007 25 1 5 "Average Difference" N 88 2.787 0.814 2.681 25007 26 1 5 "Average Difference" HA 98 0.373 -0.082 0.366 25007 27 1 5 "Average Difference" C 92 0.832 0.197 0.812 25007 28 1 5 "Average Difference" CA 92 0.899 -0.013 0.904 25007 29 1 5 "Average Difference" CB 85 1.172 -0.516 1.059 25007 30 1 5 "Average Difference" HN 88 0.525 -0.136 0.510 25007 31 1 6 "Average Difference" N 88 2.732 0.803 2.626 25007 32 1 6 "Average Difference" HA 98 0.349 -0.090 0.339 25007 33 1 6 "Average Difference" C 92 0.852 0.086 0.852 25007 34 1 6 "Average Difference" CA 92 0.864 -0.068 0.866 25007 35 1 6 "Average Difference" CB 85 1.202 -0.541 1.080 25007 36 1 6 "Average Difference" HN 88 0.565 -0.142 0.550 25007 37 1 7 "Average Difference" N 88 2.688 0.603 2.635 25007 38 1 7 "Average Difference" HA 98 0.368 -0.074 0.362 25007 39 1 7 "Average Difference" C 92 0.858 0.053 0.861 25007 40 1 7 "Average Difference" CA 92 0.932 -0.105 0.931 25007 41 1 7 "Average Difference" CB 85 1.230 -0.413 1.166 25007 42 1 7 "Average Difference" HN 88 0.568 -0.160 0.548 25007 43 1 8 "Average Difference" N 88 2.719 0.547 2.678 25007 44 1 8 "Average Difference" HA 98 0.367 -0.073 0.362 25007 45 1 8 "Average Difference" C 92 0.767 0.072 0.768 25007 46 1 8 "Average Difference" CA 92 0.871 -0.053 0.874 25007 47 1 8 "Average Difference" CB 85 1.156 -0.319 1.117 25007 48 1 8 "Average Difference" HN 88 0.614 -0.163 0.595 25007 49 1 9 "Average Difference" N 88 2.806 0.425 2.790 25007 50 1 9 "Average Difference" HA 98 0.356 -0.095 0.344 25007 51 1 9 "Average Difference" C 92 0.802 0.104 0.800 25007 52 1 9 "Average Difference" CA 92 0.881 -0.058 0.883 25007 53 1 9 "Average Difference" CB 85 1.118 -0.488 1.011 25007 54 1 9 "Average Difference" HN 88 0.594 -0.206 0.561 25007 55 1 10 "Average Difference" N 88 2.810 0.822 2.702 25007 56 1 10 "Average Difference" HA 98 0.351 -0.066 0.347 25007 57 1 10 "Average Difference" C 92 0.782 0.097 0.780 25007 58 1 10 "Average Difference" CA 92 0.838 -0.116 0.834 25007 59 1 10 "Average Difference" CB 85 1.177 -0.431 1.102 25007 60 1 10 "Average Difference" HN 88 0.604 -0.148 0.589 25007 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 25007 _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 1 451 451 HIS HA H 451 4.656 4.656 4.692 -0.036 25007 2 1 . 1 1 451 451 HIS C C 451 174.793 174.793 174.389 0.404 25007 3 1 . 1 1 451 451 HIS CA C 451 55.947 55.947 55.759 0.188 25007 4 1 . 1 1 451 451 HIS CB C 451 29.903 29.903 29.812 0.091 25007 5 1 . 1 1 452 452 MET N N 452 123.193 123.193 123.056 0.137 25007 6 1 . 1 1 452 452 MET C C 452 173.991 173.991 173.983 0.008 25007 7 1 . 1 1 452 452 MET CA C 452 53.192 53.192 52.937 0.255 25007 8 1 . 1 1 452 452 MET CB C 452 31.977 31.977 32.829 -0.852 25007 9 1 . 1 1 452 452 MET H H 452 8.342 8.342 8.070 0.272 25007 10 1 . 1 1 453 453 PRO HA H 453 4.293 4.293 4.485 -0.192 25007 11 1 . 1 1 453 453 PRO C C 453 175.733 175.733 176.182 -0.449 25007 12 1 . 1 1 453 453 PRO CA C 453 62.734 62.734 62.119 0.615 25007 13 1 . 1 1 453 453 PRO CB C 453 32.139 32.139 32.346 -0.207 25007 14 1 . 1 1 454 454 VAL N N 454 122.227 122.227 122.812 -0.585 25007 15 1 . 1 1 454 454 VAL HA H 454 3.732 3.732 3.934 -0.202 25007 16 1 . 1 1 454 454 VAL C C 454 175.296 175.296 175.502 -0.206 25007 17 1 . 1 1 454 454 VAL CA C 454 63.126 63.126 62.437 0.689 25007 18 1 . 1 1 454 454 VAL CB C 454 32.085 32.085 31.427 0.658 25007 19 1 . 1 1 454 454 VAL H H 454 7.799 7.799 8.343 -0.544 25007 20 1 . 1 1 455 455 LEU N N 455 129.419 129.419 129.214 0.205 25007 21 1 . 1 1 455 455 LEU HA H 455 4.435 4.435 4.638 -0.203 25007 22 1 . 1 1 455 455 LEU C C 455 176.294 176.294 175.383 0.911 25007 23 1 . 1 1 455 455 LEU CA C 455 52.797 52.797 53.769 -0.972 25007 24 1 . 1 1 455 455 LEU CB C 455 43.631 43.631 44.685 -1.054 25007 25 1 . 1 1 455 455 LEU H H 455 8.571 8.571 8.151 0.420 25007 26 1 . 1 1 456 456 ILE N N 456 120.867 120.867 124.281 -3.414 25007 27 1 . 1 1 456 456 ILE HA H 456 4.229 4.229 4.477 -0.248 25007 28 1 . 1 1 456 456 ILE C C 456 176.619 176.619 176.392 0.227 25007 29 1 . 1 1 456 456 ILE CA C 456 60.780 60.780 61.273 -0.493 25007 30 1 . 1 1 456 456 ILE CB C 456 36.796 36.796 37.461 -0.665 25007 31 1 . 1 1 456 456 ILE H H 456 8.507 8.507 8.491 0.016 25007 32 1 . 1 1 457 457 THR N N 457 120.915 120.915 120.795 0.120 25007 33 1 . 1 1 457 457 THR HA H 457 4.285 4.285 4.238 0.047 25007 34 1 . 1 1 457 457 THR C C 457 175.963 175.963 175.061 0.902 25007 35 1 . 1 1 457 457 THR CA C 457 62.753 62.753 63.212 -0.459 25007 36 1 . 1 1 457 457 THR CB C 457 67.879 67.879 69.499 -1.620 25007 37 1 . 1 1 457 457 THR H H 457 8.657 8.657 8.475 0.183 25007 38 1 . 1 1 458 458 ARG N N 458 122.699 122.699 123.325 -0.626 25007 39 1 . 1 1 458 458 ARG HA H 458 4.923 4.923 4.832 0.091 25007 40 1 . 1 1 458 458 ARG C C 458 173.213 173.213 173.883 -0.670 25007 41 1 . 1 1 458 458 ARG CA C 458 53.918 53.918 52.591 1.327 25007 42 1 . 1 1 458 458 ARG CB C 458 32.559 32.559 31.036 1.524 25007 43 1 . 1 1 458 458 ARG H H 458 7.552 7.552 7.640 -0.088 25007 44 1 . 1 1 459 459 PRO HA H 459 4.298 4.298 4.413 -0.115 25007 45 1 . 1 1 459 459 PRO C C 459 175.741 175.741 176.362 -0.621 25007 46 1 . 1 1 459 459 PRO CA C 459 62.575 62.575 62.510 0.065 25007 47 1 . 1 1 459 459 PRO CB C 459 32.551 32.551 32.323 0.228 25007 48 1 . 1 1 460 460 LEU N N 460 115.474 115.474 120.775 -5.301 25007 49 1 . 1 1 460 460 LEU HA H 460 4.563 4.563 4.602 -0.039 25007 50 1 . 1 1 460 460 LEU C C 460 176.142 176.142 178.159 -2.017 25007 51 1 . 1 1 460 460 LEU CA C 460 55.013 55.013 54.554 0.459 25007 52 1 . 1 1 460 460 LEU CB C 460 45.292 45.292 42.369 2.923 25007 53 1 . 1 1 460 460 LEU H H 460 6.157 6.157 8.343 -2.186 25007 54 1 . 1 1 461 461 GLU N N 461 120.613 120.613 120.043 0.571 25007 55 1 . 1 1 461 461 GLU HA H 461 4.795 4.795 4.308 0.487 25007 56 1 . 1 1 461 461 GLU C C 461 175.540 175.540 176.468 -0.928 25007 57 1 . 1 1 461 461 GLU CA C 461 54.657 54.657 56.713 -2.057 25007 58 1 . 1 1 461 461 GLU CB C 461 32.600 32.600 30.556 2.044 25007 59 1 . 1 1 461 461 GLU H H 461 8.387 8.387 8.805 -0.418 25007 60 1 . 1 1 462 462 ASP N N 462 122.579 122.579 120.762 1.817 25007 61 1 . 1 1 462 462 ASP HA H 462 5.031 5.031 4.677 0.354 25007 62 1 . 1 1 462 462 ASP C C 462 176.359 176.359 175.493 0.866 25007 63 1 . 1 1 462 462 ASP CA C 462 55.433 55.433 54.246 1.187 25007 64 1 . 1 1 462 462 ASP CB C 462 41.069 41.069 41.046 0.023 25007 65 1 . 1 1 462 462 ASP H H 462 8.599 8.599 8.601 -0.002 25007 66 1 . 1 1 463 463 GLN N N 463 117.028 117.028 118.001 -0.973 25007 67 1 . 1 1 463 463 GLN HA H 463 4.667 4.667 4.474 0.193 25007 68 1 . 1 1 463 463 GLN C C 463 173.563 173.563 174.348 -0.785 25007 69 1 . 1 1 463 463 GLN CA C 463 54.227 54.227 54.929 -0.702 25007 70 1 . 1 1 463 463 GLN CB C 463 33.204 33.204 30.774 2.430 25007 71 1 . 1 1 463 463 GLN H H 463 8.755 8.755 7.713 1.042 25007 72 1 . 1 1 464 464 LEU N N 464 127.581 127.581 118.438 9.143 25007 73 1 . 1 1 464 464 LEU HA H 464 5.307 5.307 4.957 0.350 25007 74 1 . 1 1 464 464 LEU C C 464 175.838 175.838 175.734 0.104 25007 75 1 . 1 1 464 464 LEU CA C 464 54.667 54.667 53.887 0.780 25007 76 1 . 1 1 464 464 LEU CB C 464 44.018 44.018 43.470 0.548 25007 77 1 . 1 1 464 464 LEU H H 464 8.415 8.415 8.253 0.162 25007 78 1 . 1 1 465 465 VAL N N 465 119.279 119.279 116.061 3.218 25007 79 1 . 1 1 465 465 VAL HA H 465 4.774 4.774 4.504 0.270 25007 80 1 . 1 1 465 465 VAL C C 465 173.711 173.711 174.495 -0.785 25007 81 1 . 1 1 465 465 VAL CA C 465 58.517 58.517 59.430 -0.913 25007 82 1 . 1 1 465 465 VAL CB C 465 36.110 36.110 35.374 0.736 25007 83 1 . 1 1 465 465 VAL H H 465 8.695 8.695 8.142 0.553 25007 84 1 . 1 1 466 466 MET N N 466 119.214 119.214 118.308 0.906 25007 85 1 . 1 1 466 466 MET HA H 466 5.247 5.247 5.037 0.210 25007 86 1 . 1 1 466 466 MET C C 466 176.491 176.491 176.751 -0.260 25007 87 1 . 1 1 466 466 MET CA C 466 52.783 52.783 54.049 -1.266 25007 88 1 . 1 1 466 466 MET CB C 466 33.609 33.609 35.022 -1.413 25007 89 1 . 1 1 466 466 MET H H 466 8.073 8.073 8.221 -0.148 25007 90 1 . 1 1 467 467 VAL N N 467 119.566 119.566 120.555 -0.989 25007 91 1 . 1 1 467 467 VAL HA H 467 3.420 3.420 4.040 -0.620 25007 92 1 . 1 1 467 467 VAL C C 467 176.899 176.899 177.500 -0.601 25007 93 1 . 1 1 467 467 VAL CA C 467 64.475 64.475 63.792 0.683 25007 94 1 . 1 1 467 467 VAL CB C 467 32.180 32.180 31.099 1.081 25007 95 1 . 1 1 467 467 VAL H H 467 7.891 7.891 8.096 -0.205 25007 96 1 . 1 1 468 468 GLY N N 468 115.391 115.391 115.086 0.305 25007 97 1 . 1 1 468 468 GLY C C 468 174.446 174.446 173.578 0.868 25007 98 1 . 1 1 468 468 GLY CA C 468 44.690 44.690 44.921 -0.231 25007 99 1 . 1 1 468 468 GLY H H 468 9.784 9.784 8.611 1.173 25007 100 1 . 1 1 469 469 GLN N N 469 120.312 120.312 120.871 -0.559 25007 101 1 . 1 1 469 469 GLN HA H 469 4.396 4.396 4.478 -0.082 25007 102 1 . 1 1 469 469 GLN C C 469 174.534 174.534 175.171 -0.637 25007 103 1 . 1 1 469 469 GLN CA C 469 55.882 55.882 54.649 1.233 25007 104 1 . 1 1 469 469 GLN CB C 469 30.330 30.330 30.949 -0.619 25007 105 1 . 1 1 469 469 GLN H H 469 7.948 7.948 7.669 0.279 25007 106 1 . 1 1 470 470 ARG N N 470 122.876 122.876 124.010 -1.134 25007 107 1 . 1 1 470 470 ARG HA H 470 4.559 4.559 5.136 -0.577 25007 108 1 . 1 1 470 470 ARG C C 470 175.944 175.944 175.543 0.400 25007 109 1 . 1 1 470 470 ARG CA C 470 55.425 55.425 55.544 -0.119 25007 110 1 . 1 1 470 470 ARG CB C 470 31.418 31.418 30.944 0.474 25007 111 1 . 1 1 470 470 ARG H H 470 8.133 8.133 8.454 -0.321 25007 112 1 . 1 1 471 471 VAL N N 471 126.868 126.868 122.276 4.592 25007 113 1 . 1 1 471 471 VAL HA H 471 4.125 4.125 4.246 -0.121 25007 114 1 . 1 1 471 471 VAL C C 471 173.258 173.258 173.890 -0.632 25007 115 1 . 1 1 471 471 VAL CA C 471 60.324 60.324 60.271 0.053 25007 116 1 . 1 1 471 471 VAL CB C 471 34.719 34.719 35.130 -0.411 25007 117 1 . 1 1 471 471 VAL H H 471 8.809 8.809 8.453 0.356 25007 118 1 . 1 1 472 472 GLU N N 472 126.535 126.535 127.296 -0.761 25007 119 1 . 1 1 472 472 GLU HA H 472 5.064 5.064 4.825 0.239 25007 120 1 . 1 1 472 472 GLU C C 472 175.149 175.149 175.221 -0.072 25007 121 1 . 1 1 472 472 GLU CA C 472 54.581 54.581 54.754 -0.173 25007 122 1 . 1 1 472 472 GLU CB C 472 32.264 32.264 31.617 0.646 25007 123 1 . 1 1 472 472 GLU H H 472 8.650 8.650 8.354 0.296 25007 124 1 . 1 1 473 473 PHE N N 473 125.481 125.481 125.290 0.191 25007 125 1 . 1 1 473 473 PHE HA H 473 4.731 4.731 4.799 -0.068 25007 126 1 . 1 1 473 473 PHE C C 473 175.039 175.039 174.797 0.242 25007 127 1 . 1 1 473 473 PHE CA C 473 57.568 57.568 57.086 0.482 25007 128 1 . 1 1 473 473 PHE CB C 473 41.957 41.957 41.174 0.783 25007 129 1 . 1 1 473 473 PHE H H 473 9.269 9.269 8.914 0.355 25007 130 1 . 1 1 474 474 GLU N N 474 120.740 120.740 124.385 -3.645 25007 131 1 . 1 1 474 474 GLU HA H 474 5.345 5.345 4.973 0.372 25007 132 1 . 1 1 474 474 GLU C C 474 174.352 174.352 175.559 -1.207 25007 133 1 . 1 1 474 474 GLU CA C 474 54.701 54.701 54.714 -0.013 25007 134 1 . 1 1 474 474 GLU CB C 474 33.357 33.357 32.582 0.775 25007 135 1 . 1 1 474 474 GLU H H 474 8.464 8.464 9.414 -0.950 25007 136 1 . 1 1 475 475 CYS N N 475 121.489 121.489 122.162 -0.673 25007 137 1 . 1 1 475 475 CYS HA H 475 4.808 4.808 5.414 -0.607 25007 138 1 . 1 1 475 475 CYS C C 475 172.098 172.098 173.426 -1.328 25007 139 1 . 1 1 475 475 CYS CA C 475 56.609 56.609 56.181 0.428 25007 140 1 . 1 1 475 475 CYS CB C 475 30.959 30.959 30.815 0.144 25007 141 1 . 1 1 475 475 CYS H H 475 8.975 8.975 8.577 0.398 25007 142 1 . 1 1 476 476 GLU N N 476 123.429 123.429 123.882 -0.453 25007 143 1 . 1 1 476 476 GLU HA H 476 5.508 5.508 5.071 0.437 25007 144 1 . 1 1 476 476 GLU C C 476 175.188 175.188 175.627 -0.439 25007 145 1 . 1 1 476 476 GLU CA C 476 55.034 55.034 55.015 0.019 25007 146 1 . 1 1 476 476 GLU CB C 476 34.226 34.226 32.756 1.470 25007 147 1 . 1 1 476 476 GLU H H 476 8.550 8.550 8.352 0.198 25007 148 1 . 1 1 477 477 VAL N N 477 116.564 116.564 118.122 -1.558 25007 149 1 . 1 1 477 477 VAL HA H 477 5.411 5.411 5.107 0.304 25007 150 1 . 1 1 477 477 VAL C C 477 177.337 177.337 175.435 1.901 25007 151 1 . 1 1 477 477 VAL CA C 477 58.807 58.807 58.766 0.041 25007 152 1 . 1 1 477 477 VAL CB C 477 33.847 33.847 34.633 -0.786 25007 153 1 . 1 1 477 477 VAL H H 477 8.713 8.713 8.314 0.399 25007 154 1 . 1 1 478 478 SER N N 478 111.232 111.232 115.486 -4.254 25007 155 1 . 1 1 478 478 SER HA H 478 4.040 4.040 4.295 -0.255 25007 156 1 . 1 1 478 478 SER C C 478 173.819 173.819 174.561 -0.742 25007 157 1 . 1 1 478 478 SER CA C 478 61.120 61.120 60.447 0.673 25007 158 1 . 1 1 478 478 SER CB C 478 63.537 63.537 63.711 -0.175 25007 159 1 . 1 1 478 478 SER H H 478 8.756 8.756 8.309 0.447 25007 160 1 . 1 1 479 479 GLU N N 479 116.963 116.963 120.123 -3.160 25007 161 1 . 1 1 479 479 GLU HA H 479 4.846 4.846 4.467 0.379 25007 162 1 . 1 1 479 479 GLU C C 479 175.936 175.936 175.214 0.722 25007 163 1 . 1 1 479 479 GLU CA C 479 54.505 54.505 54.695 -0.190 25007 164 1 . 1 1 479 479 GLU CB C 479 33.938 33.938 31.693 2.245 25007 165 1 . 1 1 479 479 GLU H H 479 6.771 6.771 7.876 -1.105 25007 166 1 . 1 1 480 480 GLU N N 480 124.445 124.445 125.177 -0.732 25007 167 1 . 1 1 480 480 GLU HA H 480 4.402 4.402 4.276 0.126 25007 168 1 . 1 1 480 480 GLU C C 480 176.539 176.539 177.048 -0.509 25007 169 1 . 1 1 480 480 GLU CA C 480 57.860 57.860 56.465 1.395 25007 170 1 . 1 1 480 480 GLU CB C 480 30.072 30.072 29.303 0.769 25007 171 1 . 1 1 480 480 GLU H H 480 9.224 9.224 8.772 0.452 25007 172 1 . 1 1 481 481 GLY C C 481 174.358 174.358 174.401 -0.043 25007 173 1 . 1 1 481 481 GLY CA C 481 45.799 45.799 45.565 0.234 25007 174 1 . 1 1 482 482 ALA N N 482 121.272 121.272 122.127 -0.855 25007 175 1 . 1 1 482 482 ALA HA H 482 4.369 4.369 4.351 0.018 25007 176 1 . 1 1 482 482 ALA C C 482 177.182 177.182 177.248 -0.066 25007 177 1 . 1 1 482 482 ALA CA C 482 52.389 52.389 52.417 -0.028 25007 178 1 . 1 1 482 482 ALA CB C 482 20.558 20.558 19.890 0.668 25007 179 1 . 1 1 482 482 ALA H H 482 7.407 7.407 7.440 -0.033 25007 180 1 . 1 1 483 483 GLN N N 483 121.348 121.348 121.468 -0.120 25007 181 1 . 1 1 483 483 GLN HA H 483 4.434 4.434 4.347 0.087 25007 182 1 . 1 1 483 483 GLN C C 483 175.702 175.702 175.030 0.672 25007 183 1 . 1 1 483 483 GLN CA C 483 55.355 55.355 55.762 -0.407 25007 184 1 . 1 1 483 483 GLN CB C 483 28.785 28.785 28.272 0.513 25007 185 1 . 1 1 483 483 GLN H H 483 8.508 8.508 8.619 -0.111 25007 186 1 . 1 1 484 484 VAL N N 484 118.367 118.367 117.873 0.494 25007 187 1 . 1 1 484 484 VAL HA H 484 4.907 4.907 4.484 0.423 25007 188 1 . 1 1 484 484 VAL C C 484 174.865 174.865 174.660 0.205 25007 189 1 . 1 1 484 484 VAL CA C 484 58.403 58.403 59.445 -1.042 25007 190 1 . 1 1 484 484 VAL CB C 484 34.477 34.477 34.558 -0.081 25007 191 1 . 1 1 484 484 VAL H H 484 8.269 8.269 7.966 0.303 25007 192 1 . 1 1 485 485 LYS N N 485 119.929 119.929 122.476 -2.547 25007 193 1 . 1 1 485 485 LYS HA H 485 4.586 4.586 4.646 -0.060 25007 194 1 . 1 1 485 485 LYS C C 485 173.947 173.947 174.786 -0.839 25007 195 1 . 1 1 485 485 LYS CA C 485 54.986 54.986 54.941 0.045 25007 196 1 . 1 1 485 485 LYS CB C 485 36.634 36.634 35.643 0.991 25007 197 1 . 1 1 485 485 LYS H H 485 8.013 8.013 8.329 -0.316 25007 198 1 . 1 1 486 486 TRP N N 486 123.614 123.614 124.127 -0.513 25007 199 1 . 1 1 486 486 TRP HA H 486 5.602 5.602 4.874 0.728 25007 200 1 . 1 1 486 486 TRP C C 486 175.998 175.998 175.465 0.533 25007 201 1 . 1 1 486 486 TRP CA C 486 55.808 55.808 56.659 -0.851 25007 202 1 . 1 1 486 486 TRP CB C 486 32.003 32.003 30.830 1.173 25007 203 1 . 1 1 486 486 TRP H H 486 8.776 8.776 8.799 -0.023 25007 204 1 . 1 1 487 487 LEU N N 487 121.275 121.275 124.049 -2.774 25007 205 1 . 1 1 487 487 LEU HA H 487 5.181 5.181 5.233 -0.052 25007 206 1 . 1 1 487 487 LEU C C 487 175.805 175.805 175.299 0.506 25007 207 1 . 1 1 487 487 LEU CA C 487 53.541 53.541 53.820 -0.279 25007 208 1 . 1 1 487 487 LEU CB C 487 46.105 46.105 46.087 0.018 25007 209 1 . 1 1 487 487 LEU H H 487 9.581 9.581 8.916 0.665 25007 210 1 . 1 1 488 488 LYS N N 488 119.146 119.146 122.534 -3.388 25007 211 1 . 1 1 488 488 LYS HA H 488 4.439 4.439 4.728 -0.289 25007 212 1 . 1 1 488 488 LYS C C 488 176.682 176.682 176.129 0.553 25007 213 1 . 1 1 488 488 LYS CA C 488 55.102 55.102 54.928 0.174 25007 214 1 . 1 1 488 488 LYS CB C 488 35.535 35.535 33.933 1.602 25007 215 1 . 1 1 488 488 LYS H H 488 8.681 8.681 8.997 -0.315 25007 216 1 . 1 1 489 489 ASP N N 489 130.284 130.284 128.350 1.934 25007 217 1 . 1 1 489 489 ASP HA H 489 4.361 4.361 4.351 0.010 25007 218 1 . 1 1 489 489 ASP C C 489 176.145 176.145 176.226 -0.081 25007 219 1 . 1 1 489 489 ASP CA C 489 55.968 55.968 55.717 0.251 25007 220 1 . 1 1 489 489 ASP CB C 489 40.051 40.051 39.912 0.139 25007 221 1 . 1 1 489 489 ASP H H 489 9.860 9.860 9.378 0.482 25007 222 1 . 1 1 490 490 GLY N N 490 101.712 101.712 103.358 -1.645 25007 223 1 . 1 1 490 490 GLY C C 490 173.542 173.542 174.230 -0.688 25007 224 1 . 1 1 490 490 GLY CA C 490 45.240 45.240 45.089 0.151 25007 225 1 . 1 1 490 490 GLY H H 490 8.668 8.668 8.645 0.023 25007 226 1 . 1 1 491 491 VAL N N 491 123.365 123.365 123.348 0.017 25007 227 1 . 1 1 491 491 VAL HA H 491 4.168 4.168 4.093 0.075 25007 228 1 . 1 1 491 491 VAL C C 491 175.179 175.179 175.128 0.051 25007 229 1 . 1 1 491 491 VAL CA C 491 61.629 61.629 61.730 -0.101 25007 230 1 . 1 1 491 491 VAL CB C 491 33.515 33.515 32.555 0.960 25007 231 1 . 1 1 491 491 VAL H H 491 7.917 7.917 7.660 0.257 25007 232 1 . 1 1 492 492 GLU N N 492 127.979 127.979 128.232 -0.253 25007 233 1 . 1 1 492 492 GLU HA H 492 4.395 4.395 4.493 -0.098 25007 234 1 . 1 1 492 492 GLU C C 492 176.695 176.695 176.231 0.464 25007 235 1 . 1 1 492 492 GLU CA C 492 57.585 57.585 56.201 1.384 25007 236 1 . 1 1 492 492 GLU CB C 492 29.870 29.870 30.350 -0.480 25007 237 1 . 1 1 492 492 GLU H H 492 8.759 8.759 8.727 0.032 25007 238 1 . 1 1 493 493 LEU N N 493 127.568 127.568 128.990 -1.422 25007 239 1 . 1 1 493 493 LEU HA H 493 4.539 4.539 4.496 0.043 25007 240 1 . 1 1 493 493 LEU C C 493 176.807 176.807 176.821 -0.014 25007 241 1 . 1 1 493 493 LEU CA C 493 54.305 54.305 54.456 -0.151 25007 242 1 . 1 1 493 493 LEU CB C 493 41.768 41.768 41.850 -0.082 25007 243 1 . 1 1 493 493 LEU H H 493 8.884 8.884 8.577 0.307 25007 244 1 . 1 1 494 494 THR N N 494 115.006 115.006 118.298 -3.292 25007 245 1 . 1 1 494 494 THR HA H 494 4.462 4.462 4.338 0.124 25007 246 1 . 1 1 494 494 THR C C 494 174.638 174.638 174.963 -0.325 25007 247 1 . 1 1 494 494 THR CA C 494 61.263 61.263 62.081 -0.818 25007 248 1 . 1 1 494 494 THR CB C 494 70.112 70.112 69.981 0.131 25007 249 1 . 1 1 494 494 THR H H 494 8.315 8.315 8.485 -0.170 25007 250 1 . 1 1 495 495 ARG N N 495 121.376 121.376 125.048 -3.673 25007 251 1 . 1 1 495 495 ARG HA H 495 4.236 4.236 4.791 -0.555 25007 252 1 . 1 1 495 495 ARG C C 495 176.661 176.661 176.809 -0.148 25007 253 1 . 1 1 495 495 ARG CA C 495 56.528 56.528 55.482 1.046 25007 254 1 . 1 1 495 495 ARG CB C 495 29.747 29.747 29.700 0.047 25007 255 1 . 1 1 495 495 ARG H H 495 8.442 8.442 8.518 -0.076 25007 256 1 . 1 1 496 496 GLU N N 496 120.213 120.213 121.079 -0.866 25007 257 1 . 1 1 496 496 GLU HA H 496 4.300 4.300 4.192 0.108 25007 258 1 . 1 1 496 496 GLU C C 496 176.615 176.615 176.438 0.177 25007 259 1 . 1 1 496 496 GLU CA C 496 57.036 57.036 58.365 -1.329 25007 260 1 . 1 1 496 496 GLU CB C 496 30.369 30.369 30.064 0.304 25007 261 1 . 1 1 496 496 GLU H H 496 8.230 8.230 8.034 0.197 25007 262 1 . 1 1 497 497 GLU N N 497 120.969 120.969 118.491 2.478 25007 263 1 . 1 1 497 497 GLU HA H 497 4.432 4.432 4.458 -0.026 25007 264 1 . 1 1 497 497 GLU C C 497 176.587 176.587 174.994 1.592 25007 265 1 . 1 1 497 497 GLU CA C 497 56.731 56.731 55.735 0.997 25007 266 1 . 1 1 497 497 GLU CB C 497 29.467 29.467 30.705 -1.238 25007 267 1 . 1 1 497 497 GLU H H 497 8.286 8.286 7.941 0.345 25007 268 1 . 1 1 498 498 THR N N 498 114.281 114.281 115.913 -1.632 25007 269 1 . 1 1 498 498 THR HA H 498 4.540 4.540 4.611 -0.071 25007 270 1 . 1 1 498 498 THR C C 498 174.512 174.512 173.631 0.881 25007 271 1 . 1 1 498 498 THR CA C 498 61.494 61.494 61.278 0.215 25007 272 1 . 1 1 498 498 THR CB C 498 70.298 70.298 69.939 0.359 25007 273 1 . 1 1 498 498 THR H H 498 8.192 8.192 8.097 0.095 25007 274 1 . 1 1 499 499 PHE N N 499 119.424 119.424 123.347 -3.923 25007 275 1 . 1 1 499 499 PHE HA H 499 4.557 4.557 4.559 -0.002 25007 276 1 . 1 1 499 499 PHE C C 499 176.196 176.196 176.494 -0.299 25007 277 1 . 1 1 499 499 PHE CA C 499 58.536 58.536 59.056 -0.520 25007 278 1 . 1 1 499 499 PHE CB C 499 38.497 38.497 39.740 -1.243 25007 279 1 . 1 1 499 499 PHE H H 499 8.191 8.191 8.569 -0.378 25007 280 1 . 1 1 500 500 LYS N N 500 120.866 120.866 118.259 2.607 25007 281 1 . 1 1 500 500 LYS HA H 500 4.011 4.011 4.174 -0.163 25007 282 1 . 1 1 500 500 LYS C C 500 175.712 175.712 175.156 0.556 25007 283 1 . 1 1 500 500 LYS CA C 500 57.773 57.773 57.904 -0.131 25007 284 1 . 1 1 500 500 LYS CB C 500 33.363 33.363 33.068 0.294 25007 285 1 . 1 1 500 500 LYS H H 500 7.848 7.848 8.069 -0.221 25007 286 1 . 1 1 501 501 TYR N N 501 114.937 114.937 116.154 -1.217 25007 287 1 . 1 1 501 501 TYR HA H 501 5.313 5.313 5.248 0.065 25007 288 1 . 1 1 501 501 TYR C C 501 175.113 175.113 175.370 -0.257 25007 289 1 . 1 1 501 501 TYR CA C 501 55.044 55.044 56.243 -1.198 25007 290 1 . 1 1 501 501 TYR CB C 501 41.727 41.727 40.213 1.514 25007 291 1 . 1 1 501 501 TYR H H 501 7.214 7.214 7.351 -0.137 25007 292 1 . 1 1 502 502 ARG N N 502 119.116 119.116 120.094 -0.978 25007 293 1 . 1 1 502 502 ARG HA H 502 4.543 4.543 4.606 -0.063 25007 294 1 . 1 1 502 502 ARG C C 502 173.549 173.549 174.220 -0.671 25007 295 1 . 1 1 502 502 ARG CA C 502 54.462 54.462 54.534 -0.072 25007 296 1 . 1 1 502 502 ARG CB C 502 32.980 32.980 33.449 -0.469 25007 297 1 . 1 1 502 502 ARG H H 502 8.663 8.663 8.402 0.261 25007 298 1 . 1 1 503 503 PHE N N 503 121.105 121.105 124.077 -2.972 25007 299 1 . 1 1 503 503 PHE HA H 503 5.281 5.281 5.133 0.148 25007 300 1 . 1 1 503 503 PHE C C 503 176.268 176.268 176.348 -0.080 25007 301 1 . 1 1 503 503 PHE CA C 503 55.736 55.736 57.476 -1.740 25007 302 1 . 1 1 503 503 PHE CB C 503 41.345 41.345 39.798 1.547 25007 303 1 . 1 1 503 503 PHE H H 503 8.691 8.691 8.795 -0.104 25007 304 1 . 1 1 504 504 LYS N N 504 121.191 121.191 125.568 -4.377 25007 305 1 . 1 1 504 504 LYS HA H 504 4.892 4.892 4.774 0.118 25007 306 1 . 1 1 504 504 LYS C C 504 174.929 174.929 175.195 -0.266 25007 307 1 . 1 1 504 504 LYS CA C 504 55.269 55.269 54.835 0.434 25007 308 1 . 1 1 504 504 LYS CB C 504 36.405 36.405 34.813 1.592 25007 309 1 . 1 1 504 504 LYS H H 504 8.914 8.914 8.944 -0.030 25007 310 1 . 1 1 505 505 LYS N N 505 126.575 126.575 125.699 0.876 25007 311 1 . 1 1 505 505 LYS HA H 505 4.860 4.860 4.484 0.376 25007 312 1 . 1 1 505 505 LYS C C 505 174.542 174.542 175.505 -0.963 25007 313 1 . 1 1 505 505 LYS CA C 505 55.484 55.484 55.715 -0.231 25007 314 1 . 1 1 505 505 LYS CB C 505 34.831 34.831 33.974 0.857 25007 315 1 . 1 1 505 505 LYS H H 505 8.822 8.822 8.827 -0.005 25007 316 1 . 1 1 506 506 ASP N N 506 125.932 125.932 128.413 -2.481 25007 317 1 . 1 1 506 506 ASP HA H 506 4.814 4.814 4.875 -0.061 25007 318 1 . 1 1 506 506 ASP C C 506 176.075 176.075 176.042 0.033 25007 319 1 . 1 1 506 506 ASP CA C 506 52.597 52.597 53.473 -0.876 25007 320 1 . 1 1 506 506 ASP CB C 506 41.813 41.813 41.728 0.085 25007 321 1 . 1 1 506 506 ASP H H 506 8.911 8.911 8.498 0.413 25007 322 1 . 1 1 507 507 GLY N N 507 114.443 114.443 111.942 2.501 25007 323 1 . 1 1 507 507 GLY C C 507 175.318 175.318 175.154 0.164 25007 324 1 . 1 1 507 507 GLY CA C 507 47.542 47.542 46.541 1.001 25007 325 1 . 1 1 507 507 GLY H H 507 8.989 8.989 8.468 0.521 25007 326 1 . 1 1 508 508 GLN N N 508 128.587 128.587 123.544 5.043 25007 327 1 . 1 1 508 508 GLN HA H 508 4.546 4.546 4.437 0.109 25007 328 1 . 1 1 508 508 GLN C C 508 174.087 174.087 176.195 -2.107 25007 329 1 . 1 1 508 508 GLN CA C 508 57.107 57.107 56.167 0.940 25007 330 1 . 1 1 508 508 GLN CB C 508 30.198 30.198 29.822 0.376 25007 331 1 . 1 1 508 508 GLN H H 508 9.426 9.426 8.332 1.094 25007 332 1 . 1 1 509 509 ARG N N 509 120.282 120.282 118.982 1.300 25007 333 1 . 1 1 509 509 ARG HA H 509 4.971 4.971 5.073 -0.102 25007 334 1 . 1 1 509 509 ARG C C 509 174.531 174.531 174.985 -0.454 25007 335 1 . 1 1 509 509 ARG CA C 509 56.149 56.149 54.737 1.412 25007 336 1 . 1 1 509 509 ARG CB C 509 31.984 31.984 32.586 -0.602 25007 337 1 . 1 1 509 509 ARG H H 509 8.185 8.185 7.674 0.511 25007 338 1 . 1 1 510 510 HIS N N 510 122.738 122.738 121.104 1.634 25007 339 1 . 1 1 510 510 HIS HA H 510 5.128 5.128 5.584 -0.456 25007 340 1 . 1 1 510 510 HIS C C 510 174.763 174.763 174.723 0.040 25007 341 1 . 1 1 510 510 HIS CA C 510 56.499 56.499 54.644 1.855 25007 342 1 . 1 1 510 510 HIS CB C 510 35.219 35.219 33.260 1.959 25007 343 1 . 1 1 510 510 HIS H H 510 8.766 8.766 9.183 -0.417 25007 344 1 . 1 1 511 511 HIS N N 511 118.975 118.975 122.583 -3.608 25007 345 1 . 1 1 511 511 HIS HA H 511 6.074 6.074 5.213 0.861 25007 346 1 . 1 1 511 511 HIS C C 511 173.805 173.805 173.834 -0.029 25007 347 1 . 1 1 511 511 HIS CA C 511 53.886 53.886 55.046 -1.160 25007 348 1 . 1 1 511 511 HIS CB C 511 33.159 33.159 31.843 1.317 25007 349 1 . 1 1 511 511 HIS H H 511 9.314 9.314 9.316 -0.002 25007 350 1 . 1 1 512 512 LEU N N 512 125.887 125.887 128.305 -2.418 25007 351 1 . 1 1 512 512 LEU HA H 512 4.382 4.382 4.597 -0.215 25007 352 1 . 1 1 512 512 LEU C C 512 174.018 174.018 174.500 -0.482 25007 353 1 . 1 1 512 512 LEU CA C 512 54.038 54.038 53.343 0.695 25007 354 1 . 1 1 512 512 LEU CB C 512 42.246 42.246 42.756 -0.510 25007 355 1 . 1 1 512 512 LEU H H 512 8.403 8.403 8.823 -0.420 25007 356 1 . 1 1 513 513 ILE N N 513 127.359 127.359 129.101 -1.742 25007 357 1 . 1 1 513 513 ILE HA H 513 4.953 4.953 4.760 0.193 25007 358 1 . 1 1 513 513 ILE C C 513 175.456 175.456 174.349 1.107 25007 359 1 . 1 1 513 513 ILE CA C 513 59.184 59.184 59.136 0.048 25007 360 1 . 1 1 513 513 ILE CB C 513 40.899 40.899 40.098 0.801 25007 361 1 . 1 1 513 513 ILE H H 513 8.885 8.885 8.360 0.525 25007 362 1 . 1 1 514 514 ILE N N 514 126.969 126.969 130.432 -3.463 25007 363 1 . 1 1 514 514 ILE HA H 514 4.391 4.391 4.614 -0.223 25007 364 1 . 1 1 514 514 ILE C C 514 175.544 175.544 175.882 -0.338 25007 365 1 . 1 1 514 514 ILE CA C 514 60.181 60.181 60.858 -0.677 25007 366 1 . 1 1 514 514 ILE CB C 514 39.580 39.580 37.672 1.908 25007 367 1 . 1 1 514 514 ILE H H 514 8.929 8.929 8.839 0.090 25007 368 1 . 1 1 515 515 ASN N N 515 124.537 124.537 126.147 -1.610 25007 369 1 . 1 1 515 515 ASN HA H 515 4.187 4.187 4.516 -0.329 25007 370 1 . 1 1 515 515 ASN C C 515 174.955 174.955 175.347 -0.392 25007 371 1 . 1 1 515 515 ASN CA C 515 57.082 57.082 55.993 1.089 25007 372 1 . 1 1 515 515 ASN CB C 515 38.847 38.847 39.066 -0.219 25007 373 1 . 1 1 515 515 ASN H H 515 8.112 8.112 8.818 -0.706 25007 374 1 . 1 1 516 516 GLU N N 516 117.395 117.395 118.984 -1.589 25007 375 1 . 1 1 516 516 GLU HA H 516 3.780 3.780 4.498 -0.718 25007 376 1 . 1 1 516 516 GLU C C 516 173.992 173.992 174.448 -0.456 25007 377 1 . 1 1 516 516 GLU CA C 516 55.067 55.067 55.338 -0.271 25007 378 1 . 1 1 516 516 GLU CB C 516 31.592 31.592 31.240 0.352 25007 379 1 . 1 1 516 516 GLU H H 516 8.156 8.156 7.758 0.398 25007 380 1 . 1 1 517 517 ALA N N 517 125.988 125.988 129.318 -3.330 25007 381 1 . 1 1 517 517 ALA HA H 517 4.145 4.145 4.647 -0.502 25007 382 1 . 1 1 517 517 ALA C C 517 177.314 177.314 176.135 1.179 25007 383 1 . 1 1 517 517 ALA CA C 517 53.495 53.495 51.669 1.826 25007 384 1 . 1 1 517 517 ALA CB C 517 18.842 18.842 20.324 -1.482 25007 385 1 . 1 1 517 517 ALA H H 517 8.703 8.703 8.333 0.370 25007 386 1 . 1 1 518 518 MET N N 518 123.199 123.199 121.001 2.198 25007 387 1 . 1 1 518 518 MET HA H 518 4.845 4.845 4.723 0.122 25007 388 1 . 1 1 518 518 MET C C 518 177.647 177.647 176.901 0.746 25007 389 1 . 1 1 518 518 MET CA C 518 53.070 53.070 53.307 -0.237 25007 390 1 . 1 1 518 518 MET CB C 518 35.877 35.877 34.304 1.573 25007 391 1 . 1 1 518 518 MET H H 518 9.802 9.802 8.649 1.153 25007 392 1 . 1 1 519 519 LEU N N 519 123.266 123.266 122.127 1.139 25007 393 1 . 1 1 519 519 LEU HA H 519 3.822 3.822 4.112 -0.290 25007 394 1 . 1 1 519 519 LEU C C 519 180.760 180.760 179.459 1.301 25007 395 1 . 1 1 519 519 LEU CA C 519 59.358 59.358 58.562 0.796 25007 396 1 . 1 1 519 519 LEU CB C 519 40.910 40.910 40.815 0.095 25007 397 1 . 1 1 519 519 LEU H H 519 9.097 9.097 8.537 0.560 25007 398 1 . 1 1 520 520 GLU N N 520 115.379 115.379 117.728 -2.349 25007 399 1 . 1 1 520 520 GLU HA H 520 4.243 4.243 4.214 0.028 25007 400 1 . 1 1 520 520 GLU C C 520 176.447 176.447 177.374 -0.927 25007 401 1 . 1 1 520 520 GLU CA C 520 58.255 58.255 58.044 0.211 25007 402 1 . 1 1 520 520 GLU CB C 520 28.497 28.497 29.303 -0.806 25007 403 1 . 1 1 520 520 GLU H H 520 9.071 9.071 8.495 0.576 25007 404 1 . 1 1 521 521 ASP N N 521 117.057 117.057 118.747 -1.690 25007 405 1 . 1 1 521 521 ASP HA H 521 4.650 4.650 4.595 0.055 25007 406 1 . 1 1 521 521 ASP C C 521 176.747 176.747 177.351 -0.604 25007 407 1 . 1 1 521 521 ASP CA C 521 55.790 55.790 56.038 -0.248 25007 408 1 . 1 1 521 521 ASP CB C 521 40.882 40.882 40.908 -0.026 25007 409 1 . 1 1 521 521 ASP H H 521 8.089 8.089 7.877 0.212 25007 410 1 . 1 1 522 522 ALA N N 522 123.576 123.576 121.516 2.060 25007 411 1 . 1 1 522 522 ALA HA H 522 4.138 4.138 4.311 -0.172 25007 412 1 . 1 1 522 522 ALA C C 522 176.493 176.493 178.021 -1.528 25007 413 1 . 1 1 522 522 ALA CA C 522 53.668 53.668 53.834 -0.166 25007 414 1 . 1 1 522 522 ALA CB C 522 19.822 19.822 19.109 0.713 25007 415 1 . 1 1 522 522 ALA H H 522 7.560 7.560 7.354 0.206 25007 416 1 . 1 1 523 523 GLY N N 523 107.939 107.939 106.747 1.192 25007 417 1 . 1 1 523 523 GLY C C 523 171.581 171.581 173.220 -1.639 25007 418 1 . 1 1 523 523 GLY CA C 523 44.966 44.966 45.296 -0.330 25007 419 1 . 1 1 523 523 GLY H H 523 8.486 8.486 7.774 0.712 25007 420 1 . 1 1 524 524 HIS N N 524 119.624 119.624 119.486 0.138 25007 421 1 . 1 1 524 524 HIS HA H 524 5.284 5.284 5.010 0.274 25007 422 1 . 1 1 524 524 HIS C C 524 174.529 174.529 174.647 -0.118 25007 423 1 . 1 1 524 524 HIS CA C 524 55.966 55.966 55.035 0.931 25007 424 1 . 1 1 524 524 HIS CB C 524 29.911 29.911 30.444 -0.533 25007 425 1 . 1 1 524 524 HIS H H 524 9.138 9.138 8.604 0.534 25007 426 1 . 1 1 525 525 TYR N N 525 127.402 127.402 126.070 1.332 25007 427 1 . 1 1 525 525 TYR HA H 525 5.188 5.188 5.066 0.122 25007 428 1 . 1 1 525 525 TYR C C 525 173.765 173.765 174.548 -0.783 25007 429 1 . 1 1 525 525 TYR CA C 525 57.235 57.235 57.659 -0.424 25007 430 1 . 1 1 525 525 TYR CB C 525 40.847 40.847 39.219 1.628 25007 431 1 . 1 1 525 525 TYR H H 525 9.571 9.571 8.404 1.167 25007 432 1 . 1 1 526 526 ALA N N 526 121.895 121.895 126.243 -4.348 25007 433 1 . 1 1 526 526 ALA HA H 526 5.595 5.595 5.126 0.469 25007 434 1 . 1 1 526 526 ALA C C 526 175.256 175.256 174.949 0.307 25007 435 1 . 1 1 526 526 ALA CA C 526 49.674 49.674 50.259 -0.585 25007 436 1 . 1 1 526 526 ALA CB C 526 24.106 24.106 22.415 1.691 25007 437 1 . 1 1 526 526 ALA H H 526 9.096 9.096 9.237 -0.141 25007 438 1 . 1 1 527 527 LEU N N 527 121.830 121.830 124.913 -3.083 25007 439 1 . 1 1 527 527 LEU HA H 527 4.566 4.566 4.552 0.014 25007 440 1 . 1 1 527 527 LEU C C 527 175.945 175.945 175.082 0.863 25007 441 1 . 1 1 527 527 LEU CA C 527 52.867 52.867 53.644 -0.777 25007 442 1 . 1 1 527 527 LEU CB C 527 42.946 42.946 43.587 -0.641 25007 443 1 . 1 1 527 527 LEU H H 527 8.164 8.164 8.120 0.044 25007 444 1 . 1 1 528 528 CYS N N 528 122.905 122.905 127.628 -4.723 25007 445 1 . 1 1 528 528 CYS HA H 528 4.983 4.983 4.702 0.280 25007 446 1 . 1 1 528 528 CYS C C 528 174.337 174.337 174.417 -0.080 25007 447 1 . 1 1 528 528 CYS CA C 528 57.228 57.228 57.833 -0.605 25007 448 1 . 1 1 528 528 CYS CB C 528 29.887 29.887 27.524 2.363 25007 449 1 . 1 1 528 528 CYS H H 528 8.974 8.974 8.926 0.048 25007 450 1 . 1 1 529 529 THR N N 529 116.293 116.293 117.792 -1.499 25007 451 1 . 1 1 529 529 THR HA H 529 4.693 4.693 4.781 -0.088 25007 452 1 . 1 1 529 529 THR C C 529 175.292 175.292 175.614 -0.322 25007 453 1 . 1 1 529 529 THR CA C 529 59.531 59.531 59.648 -0.117 25007 454 1 . 1 1 529 529 THR CB C 529 71.282 71.282 70.805 0.477 25007 455 1 . 1 1 529 529 THR H H 529 8.660 8.660 7.946 0.714 25007 456 1 . 1 1 530 530 SER N N 530 115.090 115.090 115.526 -0.435 25007 457 1 . 1 1 530 530 SER HA H 530 4.255 4.255 4.182 0.073 25007 458 1 . 1 1 530 530 SER C C 530 175.719 175.719 175.032 0.687 25007 459 1 . 1 1 530 530 SER CA C 530 59.970 59.970 59.946 0.024 25007 460 1 . 1 1 530 530 SER CB C 530 62.914 62.914 62.818 0.096 25007 461 1 . 1 1 530 530 SER H H 530 9.373 9.373 8.806 0.567 25007 462 1 . 1 1 531 531 GLY N N 531 108.629 108.629 106.773 1.856 25007 463 1 . 1 1 531 531 GLY C C 531 173.708 173.708 173.750 -0.042 25007 464 1 . 1 1 531 531 GLY CA C 531 45.032 45.032 44.721 0.311 25007 465 1 . 1 1 531 531 GLY H H 531 8.145 8.145 7.350 0.795 25007 466 1 . 1 1 532 532 GLY N N 532 109.085 109.085 107.327 1.758 25007 467 1 . 1 1 532 532 GLY C C 532 170.571 170.571 172.418 -1.847 25007 468 1 . 1 1 532 532 GLY CA C 532 45.443 45.443 44.030 1.413 25007 469 1 . 1 1 532 532 GLY H H 532 7.518 7.518 8.128 -0.610 25007 470 1 . 1 1 533 533 GLN N N 533 116.769 116.769 122.016 -5.247 25007 471 1 . 1 1 533 533 GLN HA H 533 5.329 5.329 4.890 0.439 25007 472 1 . 1 1 533 533 GLN C C 533 174.087 174.087 174.623 -0.536 25007 473 1 . 1 1 533 533 GLN CA C 533 54.453 54.453 54.453 0.000 25007 474 1 . 1 1 533 533 GLN CB C 533 32.474 32.474 31.538 0.936 25007 475 1 . 1 1 533 533 GLN H H 533 8.302 8.302 8.322 -0.020 25007 476 1 . 1 1 534 534 ALA N N 534 126.978 126.978 128.786 -1.808 25007 477 1 . 1 1 534 534 ALA HA H 534 4.845 4.845 4.658 0.187 25007 478 1 . 1 1 534 534 ALA C C 534 174.509 174.509 174.594 -0.085 25007 479 1 . 1 1 534 534 ALA CA C 534 50.792 50.792 51.289 -0.497 25007 480 1 . 1 1 534 534 ALA CB C 534 22.023 22.023 21.729 0.294 25007 481 1 . 1 1 534 534 ALA H H 534 8.863 8.863 8.515 0.348 25007 482 1 . 1 1 535 535 LEU N N 535 122.725 122.725 123.648 -0.923 25007 483 1 . 1 1 535 535 LEU HA H 535 5.386 5.386 5.203 0.183 25007 484 1 . 1 1 535 535 LEU C C 535 176.477 176.477 175.424 1.053 25007 485 1 . 1 1 535 535 LEU CA C 535 54.253 54.253 53.884 0.369 25007 486 1 . 1 1 535 535 LEU CB C 535 46.315 46.315 45.219 1.096 25007 487 1 . 1 1 535 535 LEU H H 535 8.438 8.438 8.409 0.029 25007 488 1 . 1 1 536 536 ALA N N 536 125.405 125.405 128.531 -3.126 25007 489 1 . 1 1 536 536 ALA HA H 536 4.740 4.740 4.827 -0.087 25007 490 1 . 1 1 536 536 ALA C C 536 174.310 174.310 175.234 -0.924 25007 491 1 . 1 1 536 536 ALA CA C 536 51.928 51.928 51.005 0.923 25007 492 1 . 1 1 536 536 ALA CB C 536 24.477 24.477 22.517 1.960 25007 493 1 . 1 1 536 536 ALA H H 536 9.336 9.336 9.100 0.236 25007 494 1 . 1 1 537 537 GLU N N 537 121.895 121.895 121.745 0.150 25007 495 1 . 1 1 537 537 GLU HA H 537 4.919 4.919 4.637 0.282 25007 496 1 . 1 1 537 537 GLU C C 537 174.790 174.790 174.968 -0.178 25007 497 1 . 1 1 537 537 GLU CA C 537 54.758 54.758 55.596 -0.838 25007 498 1 . 1 1 537 537 GLU CB C 537 32.505 32.505 32.005 0.500 25007 499 1 . 1 1 537 537 GLU H H 537 9.296 9.296 8.786 0.510 25007 500 1 . 1 1 538 538 LEU N N 538 125.064 125.064 127.987 -2.923 25007 501 1 . 1 1 538 538 LEU HA H 538 5.365 5.365 4.817 0.548 25007 502 1 . 1 1 538 538 LEU C C 538 175.931 175.931 175.335 0.596 25007 503 1 . 1 1 538 538 LEU CA C 538 53.389 53.389 54.151 -0.762 25007 504 1 . 1 1 538 538 LEU CB C 538 45.315 45.315 44.552 0.763 25007 505 1 . 1 1 538 538 LEU H H 538 9.274 9.274 8.045 1.229 25007 506 1 . 1 1 539 539 ILE N N 539 130.885 130.885 126.612 4.273 25007 507 1 . 1 1 539 539 ILE HA H 539 4.282 4.282 4.270 0.012 25007 508 1 . 1 1 539 539 ILE C C 539 173.958 173.958 174.520 -0.562 25007 509 1 . 1 1 539 539 ILE CA C 539 61.171 61.171 60.083 1.088 25007 510 1 . 1 1 539 539 ILE CB C 539 39.901 39.901 39.712 0.189 25007 511 1 . 1 1 539 539 ILE H H 539 8.867 8.867 8.508 0.359 25007 512 1 . 1 1 540 540 VAL N N 540 125.478 125.478 127.599 -2.121 25007 513 1 . 1 1 540 540 VAL HA H 540 4.770 4.770 4.878 -0.108 25007 514 1 . 1 1 540 540 VAL C C 540 174.948 174.948 175.716 -0.769 25007 515 1 . 1 1 540 540 VAL CA C 540 60.316 60.316 60.995 -0.679 25007 516 1 . 1 1 540 540 VAL CB C 540 33.691 33.691 33.259 0.432 25007 517 1 . 1 1 540 540 VAL H H 540 7.880 7.880 8.577 -0.698 25007 518 1 . 1 1 541 541 GLN N N 541 126.082 126.082 126.442 -0.360 25007 519 1 . 1 1 541 541 GLN HA H 541 4.618 4.618 4.682 -0.064 25007 520 1 . 1 1 541 541 GLN C C 541 174.952 174.952 174.568 0.384 25007 521 1 . 1 1 541 541 GLN CA C 541 54.372 54.372 53.807 0.565 25007 522 1 . 1 1 541 541 GLN CB C 541 31.571 31.571 32.244 -0.673 25007 523 1 . 1 1 541 541 GLN H H 541 9.066 9.066 8.279 0.787 25007 524 1 . 1 1 542 542 GLU N N 542 122.178 122.178 122.388 -0.210 25007 525 1 . 1 1 542 542 GLU HA H 542 4.312 4.312 4.380 -0.069 25007 526 1 . 1 1 542 542 GLU C C 542 175.419 175.419 175.535 -0.116 25007 527 1 . 1 1 542 542 GLU CA C 542 57.108 57.108 56.455 0.653 25007 528 1 . 1 1 542 542 GLU CB C 542 31.266 31.266 29.874 1.392 25007 529 1 . 1 1 542 542 GLU H H 542 8.742 8.742 8.661 0.081 25007 stop_ save_