data_18840 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18840 _Entry.PDB_ID 2M13 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 18840 _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 1 503 503 PRO HA H 503 4.533 4.533 4.653 -0.120 18840 2 1 1 . 1 1 503 503 PRO C C 503 176.777 176.777 176.277 0.500 18840 3 1 1 . 1 1 503 503 PRO CA C 503 62.962 62.962 62.200 0.763 18840 4 1 1 . 1 1 503 503 PRO CB C 503 32.403 32.403 33.084 -0.681 18840 5 1 1 . 1 1 504 504 VAL N N 504 120.734 120.734 121.133 -0.399 18840 6 1 1 . 1 1 504 504 VAL HA H 504 4.102 4.102 3.985 0.117 18840 7 1 1 . 1 1 504 504 VAL C C 504 175.887 175.887 175.518 0.369 18840 8 1 1 . 1 1 504 504 VAL CA C 504 62.483 62.483 63.614 -1.131 18840 9 1 1 . 1 1 504 504 VAL CB C 504 32.864 32.864 31.746 1.118 18840 10 1 1 . 1 1 504 504 VAL H H 504 8.290 8.290 8.337 -0.047 18840 11 1 1 . 1 1 505 505 GLN N N 505 125.069 125.069 126.499 -1.430 18840 12 1 1 . 1 1 505 505 GLN HA H 505 4.430 4.430 4.605 -0.175 18840 13 1 1 . 1 1 505 505 GLN C C 505 175.207 175.207 174.030 1.177 18840 14 1 1 . 1 1 505 505 GLN CA C 505 55.476 55.476 54.604 0.872 18840 15 1 1 . 1 1 505 505 GLN CB C 505 29.918 29.918 31.075 -1.157 18840 16 1 1 . 1 1 505 505 GLN H H 505 8.450 8.450 8.251 0.199 18840 17 1 1 . 1 1 506 506 ILE N N 506 123.121 123.121 115.891 7.230 18840 18 1 1 . 1 1 506 506 ILE HA H 506 4.303 4.303 4.421 -0.118 18840 19 1 1 . 1 1 506 506 ILE C C 506 175.607 175.607 175.365 0.242 18840 20 1 1 . 1 1 506 506 ILE CA C 506 60.346 60.346 60.183 0.163 18840 21 1 1 . 1 1 506 506 ILE CB C 506 39.046 39.046 38.868 0.178 18840 22 1 1 . 1 1 506 506 ILE H H 506 8.259 8.259 8.285 -0.026 18840 23 1 1 . 1 1 507 507 ASP N N 507 126.258 126.258 120.769 5.489 18840 24 1 1 . 1 1 507 507 ASP HA H 507 4.909 4.909 4.734 0.175 18840 25 1 1 . 1 1 507 507 ASP CA C 507 51.929 51.929 52.008 -0.078 18840 26 1 1 . 1 1 507 507 ASP CB C 507 41.712 41.712 41.225 0.487 18840 27 1 1 . 1 1 507 507 ASP H H 507 8.419 8.419 8.363 0.056 18840 28 1 1 . 1 1 508 508 PRO HA H 508 4.304 4.304 4.269 0.035 18840 29 1 1 . 1 1 508 508 PRO C C 508 176.539 176.539 176.246 0.293 18840 30 1 1 . 1 1 508 508 PRO CA C 508 63.271 63.271 64.316 -1.044 18840 31 1 1 . 1 1 508 508 PRO CB C 508 32.117 32.117 31.449 0.668 18840 32 1 1 . 1 1 509 509 TYR N N 509 119.278 119.278 115.574 3.704 18840 33 1 1 . 1 1 509 509 TYR HA H 509 4.486 4.486 4.567 -0.081 18840 34 1 1 . 1 1 509 509 TYR C C 509 175.814 175.814 175.999 -0.185 18840 35 1 1 . 1 1 509 509 TYR CA C 509 57.945 57.945 59.236 -1.291 18840 36 1 1 . 1 1 509 509 TYR CB C 509 37.723 37.723 38.392 -0.669 18840 37 1 1 . 1 1 509 509 TYR H H 509 8.218 8.218 7.749 0.469 18840 38 1 1 . 1 1 510 510 LEU N N 510 122.827 122.827 116.348 6.479 18840 39 1 1 . 1 1 510 510 LEU HA H 510 4.254 4.254 4.427 -0.173 18840 40 1 1 . 1 1 510 510 LEU C C 510 176.689 176.689 176.852 -0.163 18840 41 1 1 . 1 1 510 510 LEU CA C 510 54.934 54.934 54.996 -0.062 18840 42 1 1 . 1 1 510 510 LEU CB C 510 42.647 42.647 43.995 -1.348 18840 43 1 1 . 1 1 510 510 LEU H H 510 7.655 7.655 7.481 0.174 18840 44 1 1 . 1 1 511 511 GLU N N 511 120.110 120.110 117.025 3.085 18840 45 1 1 . 1 1 511 511 GLU HA H 511 4.234 4.234 3.945 0.289 18840 46 1 1 . 1 1 511 511 GLU CA C 511 55.912 55.912 57.540 -1.628 18840 47 1 1 . 1 1 511 511 GLU CB C 511 31.398 31.398 28.923 2.475 18840 48 1 1 . 1 1 511 511 GLU H H 511 8.223 8.223 8.037 0.186 18840 49 1 1 . 1 1 512 512 ASP N N 512 120.430 120.430 121.378 -0.948 18840 50 1 1 . 1 1 512 512 ASP HA H 512 4.439 4.439 4.669 -0.230 18840 51 1 1 . 1 1 512 512 ASP C C 512 175.742 175.742 175.465 0.277 18840 52 1 1 . 1 1 512 512 ASP CA C 512 54.405 54.405 53.807 0.598 18840 53 1 1 . 1 1 512 512 ASP CB C 512 40.977 40.977 39.617 1.360 18840 54 1 1 . 1 1 512 512 ASP H H 512 8.258 8.258 8.490 -0.232 18840 55 1 1 . 1 1 513 513 SER N N 513 116.712 116.712 116.969 -0.257 18840 56 1 1 . 1 1 513 513 SER HA H 513 4.282 4.282 4.401 -0.119 18840 57 1 1 . 1 1 513 513 SER C C 513 174.628 174.628 174.537 0.091 18840 58 1 1 . 1 1 513 513 SER CA C 513 57.783 57.783 58.995 -1.212 18840 59 1 1 . 1 1 513 513 SER CB C 513 64.481 64.481 64.058 0.423 18840 60 1 1 . 1 1 513 513 SER H H 513 8.004 8.004 7.951 0.053 18840 61 1 1 . 1 1 514 514 LEU N N 514 124.291 124.291 128.143 -3.852 18840 62 1 1 . 1 1 514 514 LEU HA H 514 4.360 4.360 4.414 -0.054 18840 63 1 1 . 1 1 514 514 LEU C C 514 176.422 176.422 176.007 0.415 18840 64 1 1 . 1 1 514 514 LEU CA C 514 54.896 54.896 54.348 0.548 18840 65 1 1 . 1 1 514 514 LEU CB C 514 43.711 43.711 43.655 0.056 18840 66 1 1 . 1 1 514 514 LEU H H 514 8.248 8.248 8.321 -0.073 18840 67 1 1 . 1 1 515 515 CYS N N 515 121.802 121.802 126.251 -4.449 18840 68 1 1 . 1 1 515 515 CYS HA H 515 3.818 3.818 4.473 -0.655 18840 69 1 1 . 1 1 515 515 CYS C C 515 177.418 177.418 176.194 1.224 18840 70 1 1 . 1 1 515 515 CYS CA C 515 60.542 60.542 58.986 1.556 18840 71 1 1 . 1 1 515 515 CYS CB C 515 31.859 31.859 26.629 5.230 18840 72 1 1 . 1 1 515 515 CYS H H 515 8.418 8.418 8.356 0.062 18840 73 1 1 . 1 1 516 516 HIS N N 516 129.671 129.671 127.572 2.099 18840 74 1 1 . 1 1 516 516 HIS HA H 516 4.497 4.497 4.504 -0.007 18840 75 1 1 . 1 1 516 516 HIS C C 516 175.845 175.845 175.237 0.608 18840 76 1 1 . 1 1 516 516 HIS CA C 516 58.672 58.672 57.290 1.382 18840 77 1 1 . 1 1 516 516 HIS CB C 516 31.910 31.910 29.051 2.859 18840 78 1 1 . 1 1 516 516 HIS H H 516 9.149 9.149 9.135 0.014 18840 79 1 1 . 1 1 517 517 ILE N N 517 121.766 121.766 121.017 0.749 18840 80 1 1 . 1 1 517 517 ILE HA H 517 4.170 4.170 3.640 0.530 18840 81 1 1 . 1 1 517 517 ILE C C 517 177.448 177.448 177.262 0.186 18840 82 1 1 . 1 1 517 517 ILE CA C 517 61.900 61.900 62.452 -0.552 18840 83 1 1 . 1 1 517 517 ILE CB C 517 35.256 35.256 37.074 -1.818 18840 84 1 1 . 1 1 517 517 ILE H H 517 9.347 9.347 8.122 1.225 18840 85 1 1 . 1 1 518 518 CYS N N 518 118.774 118.774 113.544 5.230 18840 86 1 1 . 1 1 518 518 CYS HA H 518 4.772 4.772 4.579 0.193 18840 87 1 1 . 1 1 518 518 CYS C C 518 176.883 176.883 175.449 1.434 18840 88 1 1 . 1 1 518 518 CYS CA C 518 59.309 59.309 57.837 1.472 18840 89 1 1 . 1 1 518 518 CYS CB C 518 31.994 31.994 29.847 2.147 18840 90 1 1 . 1 1 518 518 CYS H H 518 8.564 8.564 8.055 0.509 18840 91 1 1 . 1 1 519 519 SER N N 519 116.362 116.362 115.818 0.544 18840 92 1 1 . 1 1 519 519 SER HA H 519 4.403 4.403 4.181 0.222 18840 93 1 1 . 1 1 519 519 SER C C 519 174.258 174.258 174.321 -0.063 18840 94 1 1 . 1 1 519 519 SER CA C 519 60.236 60.236 59.248 0.988 18840 95 1 1 . 1 1 519 519 SER CB C 519 62.727 62.727 61.440 1.288 18840 96 1 1 . 1 1 519 519 SER H H 519 7.619 7.619 8.445 -0.826 18840 97 1 1 . 1 1 520 520 SER N N 520 113.506 113.506 115.280 -1.774 18840 98 1 1 . 1 1 520 520 SER HA H 520 4.832 4.832 4.314 0.518 18840 99 1 1 . 1 1 520 520 SER C C 520 172.953 172.953 173.990 -1.037 18840 100 1 1 . 1 1 520 520 SER CA C 520 58.849 58.849 60.122 -1.273 18840 101 1 1 . 1 1 520 520 SER CB C 520 65.701 65.701 64.219 1.482 18840 102 1 1 . 1 1 520 520 SER H H 520 8.328 8.328 7.817 0.511 18840 103 1 1 . 1 1 521 521 GLN N N 521 118.652 118.652 117.110 1.542 18840 104 1 1 . 1 1 521 521 GLN HA H 521 4.932 4.932 4.713 0.219 18840 105 1 1 . 1 1 521 521 GLN CA C 521 52.845 52.845 53.693 -0.848 18840 106 1 1 . 1 1 521 521 GLN CB C 521 30.606 30.606 28.221 2.385 18840 107 1 1 . 1 1 521 521 GLN H H 521 7.416 7.416 7.711 -0.295 18840 108 1 1 . 1 1 522 522 PRO HA H 522 4.415 4.415 4.619 -0.204 18840 109 1 1 . 1 1 522 522 PRO C C 522 175.086 175.086 177.192 -2.106 18840 110 1 1 . 1 1 522 522 PRO CA C 522 63.782 63.782 62.672 1.110 18840 111 1 1 . 1 1 522 522 PRO CB C 522 32.536 32.536 31.991 0.545 18840 112 1 1 . 1 1 523 523 GLY N N 523 110.217 110.217 110.363 -0.146 18840 113 1 1 . 1 1 523 523 GLY CA C 523 46.095 46.095 42.709 3.386 18840 114 1 1 . 1 1 523 523 GLY H H 523 8.909 8.909 8.341 0.568 18840 115 1 1 . 1 1 524 524 PRO HA H 524 4.457 4.457 4.260 0.197 18840 116 1 1 . 1 1 524 524 PRO C C 524 176.040 176.040 176.179 -0.139 18840 117 1 1 . 1 1 524 524 PRO CA C 524 63.115 63.115 63.785 -0.670 18840 118 1 1 . 1 1 524 524 PRO CB C 524 32.830 32.830 32.136 0.694 18840 119 1 1 . 1 1 525 525 PHE N N 525 116.223 116.223 117.742 -1.519 18840 120 1 1 . 1 1 525 525 PHE HA H 525 5.039 5.039 5.145 -0.106 18840 121 1 1 . 1 1 525 525 PHE C C 525 174.437 174.437 175.065 -0.628 18840 122 1 1 . 1 1 525 525 PHE CA C 525 56.080 56.080 56.369 -0.289 18840 123 1 1 . 1 1 525 525 PHE CB C 525 39.780 39.780 40.153 -0.373 18840 124 1 1 . 1 1 525 525 PHE H H 525 8.148 8.148 7.344 0.804 18840 125 1 1 . 1 1 526 526 PHE N N 526 125.861 125.861 124.285 1.576 18840 126 1 1 . 1 1 526 526 PHE HA H 526 5.102 5.102 5.246 -0.144 18840 127 1 1 . 1 1 526 526 PHE C C 526 175.221 175.221 174.011 1.210 18840 128 1 1 . 1 1 526 526 PHE CA C 526 56.865 56.865 56.323 0.542 18840 129 1 1 . 1 1 526 526 PHE CB C 526 41.661 41.661 42.884 -1.223 18840 130 1 1 . 1 1 526 526 PHE H H 526 9.522 9.522 9.140 0.382 18840 131 1 1 . 1 1 527 527 CYS N N 527 128.663 128.663 127.759 0.904 18840 132 1 1 . 1 1 527 527 CYS HA H 527 4.931 4.931 5.063 -0.132 18840 133 1 1 . 1 1 527 527 CYS C C 527 174.052 174.052 174.199 -0.147 18840 134 1 1 . 1 1 527 527 CYS CA C 527 58.267 58.267 56.581 1.686 18840 135 1 1 . 1 1 527 527 CYS CB C 527 31.075 31.075 29.189 1.886 18840 136 1 1 . 1 1 527 527 CYS H H 527 7.723 7.723 7.967 -0.244 18840 137 1 1 . 1 1 528 528 ARG N N 528 125.354 125.354 125.361 -0.007 18840 138 1 1 . 1 1 528 528 ARG HA H 528 4.148 4.148 4.323 -0.175 18840 139 1 1 . 1 1 528 528 ARG C C 528 175.406 175.406 175.883 -0.477 18840 140 1 1 . 1 1 528 528 ARG CA C 528 55.971 55.971 56.451 -0.480 18840 141 1 1 . 1 1 528 528 ARG CB C 528 31.165 31.165 30.271 0.894 18840 142 1 1 . 1 1 528 528 ARG H H 528 8.866 8.866 8.509 0.357 18840 143 1 1 . 1 1 529 529 ASP N N 529 124.001 124.001 121.212 2.789 18840 144 1 1 . 1 1 529 529 ASP HA H 529 4.203 4.203 4.425 -0.222 18840 145 1 1 . 1 1 529 529 ASP C C 529 178.105 178.105 177.420 0.685 18840 146 1 1 . 1 1 529 529 ASP CA C 529 56.288 56.288 54.856 1.432 18840 147 1 1 . 1 1 529 529 ASP CB C 529 43.574 43.574 42.002 1.573 18840 148 1 1 . 1 1 529 529 ASP H H 529 8.198 8.198 7.604 0.594 18840 149 1 1 . 1 1 530 530 GLN N N 530 125.372 125.372 124.102 1.270 18840 150 1 1 . 1 1 530 530 GLN HA H 530 3.894 3.894 4.080 -0.186 18840 151 1 1 . 1 1 530 530 GLN C C 530 177.471 177.471 176.684 0.787 18840 152 1 1 . 1 1 530 530 GLN CA C 530 59.159 59.159 57.994 1.165 18840 153 1 1 . 1 1 530 530 GLN CB C 530 28.731 28.731 28.541 0.190 18840 154 1 1 . 1 1 530 530 GLN H H 530 8.746 8.746 8.647 0.099 18840 155 1 1 . 1 1 531 531 VAL N N 531 113.137 113.137 118.177 -5.040 18840 156 1 1 . 1 1 531 531 VAL HA H 531 4.282 4.282 3.829 0.453 18840 157 1 1 . 1 1 531 531 VAL C C 531 176.295 176.295 176.670 -0.375 18840 158 1 1 . 1 1 531 531 VAL CA C 531 63.324 63.324 65.588 -2.264 18840 159 1 1 . 1 1 531 531 VAL CB C 531 31.457 31.457 32.355 -0.898 18840 160 1 1 . 1 1 531 531 VAL H H 531 8.659 8.659 8.994 -0.335 18840 161 1 1 . 1 1 532 532 CYS N N 532 121.034 121.034 116.002 5.032 18840 162 1 1 . 1 1 532 532 CYS HA H 532 4.568 4.568 4.703 -0.135 18840 163 1 1 . 1 1 532 532 CYS C C 532 172.994 172.994 175.543 -2.549 18840 164 1 1 . 1 1 532 532 CYS CA C 532 60.437 60.437 60.641 -0.204 18840 165 1 1 . 1 1 532 532 CYS CB C 532 31.856 31.856 28.368 3.488 18840 166 1 1 . 1 1 532 532 CYS H H 532 8.023 8.023 7.396 0.627 18840 167 1 1 . 1 1 533 533 PHE N N 533 129.389 129.389 121.606 7.783 18840 168 1 1 . 1 1 533 533 PHE HA H 533 4.197 4.197 4.158 0.039 18840 169 1 1 . 1 1 533 533 PHE C C 533 174.830 174.830 173.695 1.135 18840 170 1 1 . 1 1 533 533 PHE CA C 533 59.754 59.754 58.985 0.769 18840 171 1 1 . 1 1 533 533 PHE CB C 533 38.260 38.260 36.836 1.424 18840 172 1 1 . 1 1 533 533 PHE H H 533 7.928 7.928 8.439 -0.511 18840 173 1 1 . 1 1 534 534 LYS N N 534 113.676 113.676 116.530 -2.854 18840 174 1 1 . 1 1 534 534 LYS HA H 534 4.466 4.466 4.298 0.168 18840 175 1 1 . 1 1 534 534 LYS C C 534 173.055 173.055 173.946 -0.891 18840 176 1 1 . 1 1 534 534 LYS CA C 534 54.068 54.068 54.273 -0.204 18840 177 1 1 . 1 1 534 534 LYS CB C 534 37.800 37.800 36.078 1.722 18840 178 1 1 . 1 1 534 534 LYS H H 534 6.430 6.430 7.243 -0.813 18840 179 1 1 . 1 1 535 535 TYR N N 535 117.686 117.686 117.466 0.220 18840 180 1 1 . 1 1 535 535 TYR HA H 535 5.165 5.165 5.672 -0.507 18840 181 1 1 . 1 1 535 535 TYR C C 535 175.888 175.888 175.703 0.185 18840 182 1 1 . 1 1 535 535 TYR CA C 535 58.593 58.593 57.448 1.145 18840 183 1 1 . 1 1 535 535 TYR CB C 535 40.020 40.020 40.287 -0.267 18840 184 1 1 . 1 1 535 535 TYR H H 535 7.145 7.145 8.315 -1.170 18840 185 1 1 . 1 1 536 536 PHE N N 536 117.497 117.497 116.014 1.483 18840 186 1 1 . 1 1 536 536 PHE HA H 536 6.399 6.399 5.071 1.328 18840 187 1 1 . 1 1 536 536 PHE C C 536 177.127 177.127 175.671 1.456 18840 188 1 1 . 1 1 536 536 PHE CA C 536 57.056 57.056 56.895 0.161 18840 189 1 1 . 1 1 536 536 PHE CB C 536 45.217 45.217 43.843 1.375 18840 190 1 1 . 1 1 536 536 PHE H H 536 9.608 9.608 8.850 0.758 18840 191 1 1 . 1 1 537 537 CYS N N 537 119.624 119.624 121.374 -1.750 18840 192 1 1 . 1 1 537 537 CYS HA H 537 5.499 5.499 4.727 0.772 18840 193 1 1 . 1 1 537 537 CYS C C 537 176.128 176.128 176.749 -0.621 18840 194 1 1 . 1 1 537 537 CYS CA C 537 58.097 58.097 59.911 -1.814 18840 195 1 1 . 1 1 537 537 CYS CB C 537 32.306 32.306 29.037 3.269 18840 196 1 1 . 1 1 537 537 CYS H H 537 9.777 9.777 9.213 0.564 18840 197 1 1 . 1 1 538 538 ARG N N 538 120.573 120.573 122.471 -1.898 18840 198 1 1 . 1 1 538 538 ARG HA H 538 3.791 3.791 4.068 -0.277 18840 199 1 1 . 1 1 538 538 ARG C C 538 178.403 178.403 178.050 0.353 18840 200 1 1 . 1 1 538 538 ARG CA C 538 60.937 60.937 60.612 0.325 18840 201 1 1 . 1 1 538 538 ARG CB C 538 30.392 30.392 30.086 0.306 18840 202 1 1 . 1 1 538 538 ARG H H 538 9.375 9.375 8.976 0.399 18840 203 1 1 . 1 1 539 539 SER N N 539 114.562 114.562 112.567 1.995 18840 204 1 1 . 1 1 539 539 SER HA H 539 4.491 4.491 4.360 0.131 18840 205 1 1 . 1 1 539 539 SER C C 539 178.610 178.610 176.235 2.375 18840 206 1 1 . 1 1 539 539 SER CA C 539 62.159 62.159 61.184 0.975 18840 207 1 1 . 1 1 539 539 SER CB C 539 62.934 62.934 62.932 0.002 18840 208 1 1 . 1 1 539 539 SER H H 539 8.549 8.549 8.616 -0.067 18840 209 1 1 . 1 1 540 540 CYS N N 540 126.990 126.990 121.981 5.009 18840 210 1 1 . 1 1 540 540 CYS HA H 540 4.454 4.454 4.523 -0.069 18840 211 1 1 . 1 1 540 540 CYS C C 540 178.546 178.546 177.044 1.502 18840 212 1 1 . 1 1 540 540 CYS CA C 540 65.024 65.024 61.844 3.180 18840 213 1 1 . 1 1 540 540 CYS CB C 540 30.747 30.747 26.379 4.368 18840 214 1 1 . 1 1 540 540 CYS H H 540 9.534 9.534 8.254 1.280 18840 215 1 1 . 1 1 541 541 TRP N N 541 121.037 121.037 121.940 -0.903 18840 216 1 1 . 1 1 541 541 TRP HA H 541 3.319 3.319 4.230 -0.911 18840 217 1 1 . 1 1 541 541 TRP C C 541 179.671 179.671 178.706 0.965 18840 218 1 1 . 1 1 541 541 TRP CA C 541 62.783 62.783 61.173 1.610 18840 219 1 1 . 1 1 541 541 TRP CB C 541 27.747 27.747 29.115 -1.368 18840 220 1 1 . 1 1 541 541 TRP H H 541 9.632 9.632 9.048 0.584 18840 221 1 1 . 1 1 542 542 HIS N N 542 119.251 119.251 118.226 1.025 18840 222 1 1 . 1 1 542 542 HIS HA H 542 4.330 4.330 4.417 -0.087 18840 223 1 1 . 1 1 542 542 HIS C C 542 177.291 177.291 177.701 -0.410 18840 224 1 1 . 1 1 542 542 HIS CA C 542 59.909 59.909 59.798 0.111 18840 225 1 1 . 1 1 542 542 HIS CB C 542 30.594 30.594 29.223 1.371 18840 226 1 1 . 1 1 542 542 HIS H H 542 8.073 8.073 7.923 0.150 18840 227 1 1 . 1 1 543 543 TRP N N 543 121.212 121.212 122.012 -0.800 18840 228 1 1 . 1 1 543 543 TRP HA H 543 4.231 4.231 4.319 -0.088 18840 229 1 1 . 1 1 543 543 TRP C C 543 178.256 178.256 177.623 0.633 18840 230 1 1 . 1 1 543 543 TRP CA C 543 60.959 60.959 61.576 -0.617 18840 231 1 1 . 1 1 543 543 TRP CB C 543 28.593 28.593 29.557 -0.964 18840 232 1 1 . 1 1 543 543 TRP H H 543 8.200 8.200 8.505 -0.305 18840 233 1 1 . 1 1 544 544 ARG N N 544 118.044 118.044 118.446 -0.402 18840 234 1 1 . 1 1 544 544 ARG HA H 544 3.199 3.199 3.696 -0.497 18840 235 1 1 . 1 1 544 544 ARG C C 544 176.093 176.093 178.002 -1.909 18840 236 1 1 . 1 1 544 544 ARG CA C 544 57.149 57.149 57.910 -0.762 18840 237 1 1 . 1 1 544 544 ARG CB C 544 29.942 29.942 29.357 0.585 18840 238 1 1 . 1 1 544 544 ARG H H 544 8.194 8.194 7.979 0.215 18840 239 1 1 . 1 1 545 545 HIS N N 545 109.049 109.049 115.115 -6.066 18840 240 1 1 . 1 1 545 545 HIS HA H 545 3.781 3.781 4.346 -0.565 18840 241 1 1 . 1 1 545 545 HIS C C 545 173.247 173.247 175.853 -2.606 18840 242 1 1 . 1 1 545 545 HIS CA C 545 58.848 58.848 56.689 2.159 18840 243 1 1 . 1 1 545 545 HIS CB C 545 25.314 25.314 29.038 -3.724 18840 244 1 1 . 1 1 545 545 HIS H H 545 7.410 7.410 7.895 -0.485 18840 245 1 1 . 1 1 546 546 SER N N 546 112.353 112.353 116.128 -3.775 18840 246 1 1 . 1 1 546 546 SER HA H 546 4.336 4.336 4.137 0.199 18840 247 1 1 . 1 1 546 546 SER C C 546 174.714 174.714 173.915 0.799 18840 248 1 1 . 1 1 546 546 SER CA C 546 59.042 59.042 61.041 -1.999 18840 249 1 1 . 1 1 546 546 SER CB C 546 63.464 63.464 63.321 0.143 18840 250 1 1 . 1 1 546 546 SER H H 546 6.948 6.948 7.667 -0.719 18840 251 1 1 . 1 1 547 547 MET N N 547 121.366 121.366 121.216 0.150 18840 252 1 1 . 1 1 547 547 MET HA H 547 4.188 4.188 4.216 -0.028 18840 253 1 1 . 1 1 547 547 MET C C 547 175.421 175.421 175.217 0.204 18840 254 1 1 . 1 1 547 547 MET CA C 547 55.504 55.504 55.210 0.294 18840 255 1 1 . 1 1 547 547 MET CB C 547 33.318 33.318 33.645 -0.327 18840 256 1 1 . 1 1 547 547 MET H H 547 6.821 6.821 7.327 -0.506 18840 257 1 1 . 1 1 548 548 GLU N N 548 122.898 122.898 124.534 -1.636 18840 258 1 1 . 1 1 548 548 GLU HA H 548 3.807 3.807 4.106 -0.299 18840 259 1 1 . 1 1 548 548 GLU C C 548 176.918 176.918 177.179 -0.261 18840 260 1 1 . 1 1 548 548 GLU CA C 548 58.746 58.746 58.219 0.527 18840 261 1 1 . 1 1 548 548 GLU CB C 548 29.505 29.505 29.893 -0.388 18840 262 1 1 . 1 1 548 548 GLU H H 548 8.515 8.515 8.611 -0.096 18840 263 1 1 . 1 1 549 549 GLY N N 549 112.898 112.898 111.835 1.063 18840 264 1 1 . 1 1 549 549 GLY C C 549 174.645 174.645 174.671 -0.026 18840 265 1 1 . 1 1 549 549 GLY CA C 549 45.411 45.411 45.254 0.157 18840 266 1 1 . 1 1 549 549 GLY H H 549 8.950 8.950 8.697 0.253 18840 267 1 1 . 1 1 550 550 LEU N N 550 118.164 118.164 119.908 -1.744 18840 268 1 1 . 1 1 550 550 LEU HA H 550 3.928 3.928 4.273 -0.345 18840 269 1 1 . 1 1 550 550 LEU C C 550 177.030 177.030 177.380 -0.350 18840 270 1 1 . 1 1 550 550 LEU CA C 550 54.291 54.291 53.664 0.627 18840 271 1 1 . 1 1 550 550 LEU CB C 550 42.968 42.968 41.520 1.448 18840 272 1 1 . 1 1 550 550 LEU H H 550 7.702 7.702 7.357 0.345 18840 273 1 1 . 1 1 551 551 ARG N N 551 115.914 115.914 118.791 -2.877 18840 274 1 1 . 1 1 551 551 ARG HA H 551 4.405 4.405 4.090 0.315 18840 275 1 1 . 1 1 551 551 ARG C C 551 177.206 177.206 176.856 0.350 18840 276 1 1 . 1 1 551 551 ARG CA C 551 58.406 58.406 58.314 0.092 18840 277 1 1 . 1 1 551 551 ARG CB C 551 30.360 30.360 29.875 0.485 18840 278 1 1 . 1 1 551 551 ARG H H 551 7.299 7.299 8.247 -0.948 18840 279 1 1 . 1 1 552 552 HIS N N 552 113.766 113.766 113.463 0.303 18840 280 1 1 . 1 1 552 552 HIS HA H 552 4.692 4.692 4.714 -0.022 18840 281 1 1 . 1 1 552 552 HIS C C 552 175.959 175.959 174.982 0.977 18840 282 1 1 . 1 1 552 552 HIS CA C 552 56.223 56.223 55.377 0.846 18840 283 1 1 . 1 1 552 552 HIS CB C 552 30.228 30.228 28.735 1.493 18840 284 1 1 . 1 1 552 552 HIS H H 552 8.480 8.480 8.089 0.391 18840 285 1 1 . 1 1 553 553 HIS N N 553 122.502 122.502 120.515 1.987 18840 286 1 1 . 1 1 553 553 HIS HA H 553 4.459 4.459 4.426 0.033 18840 287 1 1 . 1 1 553 553 HIS C C 553 174.820 174.820 174.473 0.347 18840 288 1 1 . 1 1 553 553 HIS CA C 553 55.553 55.553 56.330 -0.777 18840 289 1 1 . 1 1 553 553 HIS CB C 553 31.320 31.320 30.414 0.906 18840 290 1 1 . 1 1 553 553 HIS H H 553 6.954 6.954 7.282 -0.328 18840 291 1 1 . 1 1 554 554 SER N N 554 117.586 117.586 115.535 2.051 18840 292 1 1 . 1 1 554 554 SER HA H 554 5.128 5.128 4.834 0.294 18840 293 1 1 . 1 1 554 554 SER CA C 554 55.199 55.199 55.146 0.053 18840 294 1 1 . 1 1 554 554 SER CB C 554 64.833 64.833 64.893 -0.060 18840 295 1 1 . 1 1 554 554 SER H H 554 8.668 8.668 8.463 0.205 18840 296 1 1 . 1 1 555 555 PRO HA H 555 4.296 4.296 3.743 0.553 18840 297 1 1 . 1 1 555 555 PRO C C 555 176.447 176.447 175.726 0.721 18840 298 1 1 . 1 1 555 555 PRO CA C 555 63.029 63.029 62.286 0.743 18840 299 1 1 . 1 1 555 555 PRO CB C 555 31.779 31.779 31.024 0.755 18840 300 1 1 . 1 1 556 556 LEU N N 556 123.469 123.469 126.874 -3.405 18840 301 1 1 . 1 1 556 556 LEU HA H 556 4.788 4.788 4.697 0.091 18840 302 1 1 . 1 1 556 556 LEU C C 556 176.176 176.176 177.182 -1.006 18840 303 1 1 . 1 1 556 556 LEU CA C 556 54.247 54.247 53.081 1.166 18840 304 1 1 . 1 1 556 556 LEU CB C 556 44.237 44.237 44.611 -0.374 18840 305 1 1 . 1 1 556 556 LEU H H 556 8.802 8.802 8.783 0.019 18840 306 1 1 . 1 1 557 557 MET N N 557 122.362 122.362 118.780 3.582 18840 307 1 1 . 1 1 557 557 MET HA H 557 4.983 4.983 4.753 0.230 18840 308 1 1 . 1 1 557 557 MET C C 557 175.983 175.983 176.225 -0.242 18840 309 1 1 . 1 1 557 557 MET CA C 557 54.641 54.641 55.311 -0.670 18840 310 1 1 . 1 1 557 557 MET CB C 557 34.181 34.181 33.231 0.950 18840 311 1 1 . 1 1 557 557 MET H H 557 8.624 8.624 8.475 0.149 18840 312 1 1 . 1 1 558 558 ARG N N 558 123.450 123.450 121.762 1.688 18840 313 1 1 . 1 1 558 558 ARG HA H 558 4.302 4.302 4.323 -0.021 18840 314 1 1 . 1 1 558 558 ARG CA C 558 56.545 56.545 56.328 0.216 18840 315 1 1 . 1 1 558 558 ARG CB C 558 31.139 31.139 29.712 1.427 18840 316 1 1 . 1 1 558 558 ARG H H 558 8.901 8.901 8.607 0.294 18840 317 1 1 . 1 1 559 559 ASN HA H 559 4.642 4.642 4.297 0.345 18840 318 1 1 . 1 1 559 559 ASN CA C 559 53.286 53.286 54.290 -1.004 18840 319 1 1 . 1 1 559 559 ASN CB C 559 38.877 38.877 38.695 0.182 18840 320 1 1 . 1 1 560 560 GLN N N 560 121.173 121.173 121.077 0.096 18840 321 1 1 . 1 1 560 560 GLN HA H 560 4.308 4.308 4.426 -0.118 18840 322 1 1 . 1 1 560 560 GLN C C 560 175.883 175.883 175.779 0.104 18840 323 1 1 . 1 1 560 560 GLN CA C 560 56.023 56.023 55.861 0.162 18840 324 1 1 . 1 1 560 560 GLN CB C 560 29.702 29.702 29.233 0.469 18840 325 1 1 . 1 1 560 560 GLN H H 560 8.284 8.284 8.559 -0.275 18840 326 1 1 . 1 1 561 561 LYS N N 561 122.223 122.223 122.390 -0.167 18840 327 1 1 . 1 1 561 561 LYS HA H 561 4.267 4.267 4.249 0.018 18840 328 1 1 . 1 1 561 561 LYS C C 561 176.349 176.349 176.599 -0.250 18840 329 1 1 . 1 1 561 561 LYS CA C 561 56.659 56.659 57.104 -0.445 18840 330 1 1 . 1 1 561 561 LYS CB C 561 32.966 32.966 32.813 0.152 18840 331 1 1 . 1 1 561 561 LYS H H 561 8.350 8.350 8.552 -0.202 18840 332 1 1 . 1 1 562 562 ASN N N 562 119.683 119.683 117.912 1.771 18840 333 1 1 . 1 1 562 562 ASN HA H 562 4.681 4.681 4.793 -0.112 18840 334 1 1 . 1 1 562 562 ASN C C 562 175.298 175.298 174.247 1.051 18840 335 1 1 . 1 1 562 562 ASN CA C 562 53.375 53.375 52.079 1.296 18840 336 1 1 . 1 1 562 562 ASN CB C 562 38.920 38.920 40.221 -1.302 18840 337 1 1 . 1 1 562 562 ASN H H 562 8.440 8.440 7.698 0.742 18840 338 1 1 . 1 1 563 563 ARG N N 563 121.405 121.405 121.713 -0.308 18840 339 1 1 . 1 1 563 563 ARG HA H 563 4.315 4.315 4.209 0.106 18840 340 1 1 . 1 1 563 563 ARG C C 563 176.088 176.088 176.104 -0.016 18840 341 1 1 . 1 1 563 563 ARG CA C 563 56.489 56.489 57.414 -0.925 18840 342 1 1 . 1 1 563 563 ARG CB C 563 30.775 30.775 30.550 0.225 18840 343 1 1 . 1 1 563 563 ARG H H 563 8.333 8.333 8.526 -0.193 18840 344 1 1 . 1 1 564 564 ASP N N 564 121.203 121.203 118.244 2.959 18840 345 1 1 . 1 1 564 564 ASP HA H 564 4.667 4.667 4.797 -0.130 18840 346 1 1 . 1 1 564 564 ASP C C 564 176.148 176.148 174.382 1.766 18840 347 1 1 . 1 1 564 564 ASP CA C 564 54.597 54.597 54.045 0.552 18840 348 1 1 . 1 1 564 564 ASP CB C 564 41.249 41.249 42.855 -1.606 18840 349 1 1 . 1 1 564 564 ASP H H 564 8.387 8.387 7.920 0.467 18840 350 1 1 . 1 1 565 565 SER N N 565 116.058 116.058 117.248 -1.190 18840 351 1 1 . 1 1 565 565 SER HA H 565 4.528 4.528 4.857 -0.329 18840 352 1 1 . 1 1 565 565 SER C C 565 173.755 173.755 173.287 0.468 18840 353 1 1 . 1 1 565 565 SER CA C 565 58.266 58.266 57.536 0.730 18840 354 1 1 . 1 1 565 565 SER CB C 565 64.077 64.077 64.188 -0.111 18840 355 1 1 . 1 1 565 565 SER H H 565 8.186 8.186 8.453 -0.267 18840 356 1 2 . 1 1 503 503 PRO HA H 503 4.533 4.533 5.188 -0.655 18840 357 1 2 . 1 1 503 503 PRO C C 503 176.777 176.777 175.440 1.337 18840 358 1 2 . 1 1 503 503 PRO CA C 503 62.962 62.962 62.645 0.317 18840 359 1 2 . 1 1 503 503 PRO CB C 503 32.403 32.403 34.072 -1.669 18840 360 1 2 . 1 1 504 504 VAL N N 504 120.734 120.734 118.620 2.114 18840 361 1 2 . 1 1 504 504 VAL HA H 504 4.102 4.102 4.246 -0.144 18840 362 1 2 . 1 1 504 504 VAL C C 504 175.887 175.887 175.110 0.777 18840 363 1 2 . 1 1 504 504 VAL CA C 504 62.483 62.483 62.203 0.280 18840 364 1 2 . 1 1 504 504 VAL CB C 504 32.864 32.864 34.747 -1.883 18840 365 1 2 . 1 1 504 504 VAL H H 504 8.290 8.290 8.461 -0.171 18840 366 1 2 . 1 1 505 505 GLN N N 505 125.069 125.069 126.201 -1.132 18840 367 1 2 . 1 1 505 505 GLN HA H 505 4.430 4.430 4.793 -0.363 18840 368 1 2 . 1 1 505 505 GLN C C 505 175.207 175.207 174.381 0.826 18840 369 1 2 . 1 1 505 505 GLN CA C 505 55.476 55.476 55.823 -0.347 18840 370 1 2 . 1 1 505 505 GLN CB C 505 29.918 29.918 29.960 -0.042 18840 371 1 2 . 1 1 505 505 GLN H H 505 8.450 8.450 8.719 -0.269 18840 372 1 2 . 1 1 506 506 ILE N N 506 123.121 123.121 118.527 4.594 18840 373 1 2 . 1 1 506 506 ILE HA H 506 4.303 4.303 4.447 -0.144 18840 374 1 2 . 1 1 506 506 ILE C C 506 175.607 175.607 173.813 1.794 18840 375 1 2 . 1 1 506 506 ILE CA C 506 60.346 60.346 60.408 -0.062 18840 376 1 2 . 1 1 506 506 ILE CB C 506 39.046 39.046 40.679 -1.633 18840 377 1 2 . 1 1 506 506 ILE H H 506 8.259 8.259 7.528 0.731 18840 378 1 2 . 1 1 507 507 ASP N N 507 126.258 126.258 125.954 0.304 18840 379 1 2 . 1 1 507 507 ASP HA H 507 4.909 4.909 4.824 0.085 18840 380 1 2 . 1 1 507 507 ASP CA C 507 51.929 51.929 53.748 -1.819 18840 381 1 2 . 1 1 507 507 ASP CB C 507 41.712 41.712 40.943 0.769 18840 382 1 2 . 1 1 507 507 ASP H H 507 8.419 8.419 8.347 0.072 18840 383 1 2 . 1 1 508 508 PRO HA H 508 4.304 4.304 4.294 0.010 18840 384 1 2 . 1 1 508 508 PRO C C 508 176.539 176.539 176.197 0.342 18840 385 1 2 . 1 1 508 508 PRO CA C 508 63.271 63.271 62.848 0.423 18840 386 1 2 . 1 1 508 508 PRO CB C 508 32.117 32.117 32.374 -0.257 18840 387 1 2 . 1 1 509 509 TYR N N 509 119.278 119.278 113.159 6.119 18840 388 1 2 . 1 1 509 509 TYR HA H 509 4.486 4.486 4.166 0.320 18840 389 1 2 . 1 1 509 509 TYR C C 509 175.814 175.814 175.251 0.563 18840 390 1 2 . 1 1 509 509 TYR CA C 509 57.945 57.945 58.179 -0.235 18840 391 1 2 . 1 1 509 509 TYR CB C 509 37.723 37.723 36.346 1.377 18840 392 1 2 . 1 1 509 509 TYR H H 509 8.218 8.218 8.143 0.075 18840 393 1 2 . 1 1 510 510 LEU N N 510 122.827 122.827 116.677 6.150 18840 394 1 2 . 1 1 510 510 LEU HA H 510 4.254 4.254 4.230 0.024 18840 395 1 2 . 1 1 510 510 LEU C C 510 176.689 176.689 178.045 -1.356 18840 396 1 2 . 1 1 510 510 LEU CA C 510 54.934 54.934 54.676 0.258 18840 397 1 2 . 1 1 510 510 LEU CB C 510 42.647 42.647 41.919 0.728 18840 398 1 2 . 1 1 510 510 LEU H H 510 7.655 7.655 7.865 -0.210 18840 399 1 2 . 1 1 511 511 GLU N N 511 120.110 120.110 120.372 -0.262 18840 400 1 2 . 1 1 511 511 GLU HA H 511 4.234 4.234 4.161 0.073 18840 401 1 2 . 1 1 511 511 GLU CA C 511 55.912 55.912 58.617 -2.705 18840 402 1 2 . 1 1 511 511 GLU CB C 511 31.398 31.398 30.459 0.939 18840 403 1 2 . 1 1 511 511 GLU H H 511 8.223 8.223 8.757 -0.534 18840 404 1 2 . 1 1 512 512 ASP N N 512 120.430 120.430 117.628 2.802 18840 405 1 2 . 1 1 512 512 ASP HA H 512 4.439 4.439 4.888 -0.449 18840 406 1 2 . 1 1 512 512 ASP C C 512 175.742 175.742 174.291 1.451 18840 407 1 2 . 1 1 512 512 ASP CA C 512 54.405 54.405 54.491 -0.086 18840 408 1 2 . 1 1 512 512 ASP CB C 512 40.977 40.977 42.449 -1.472 18840 409 1 2 . 1 1 512 512 ASP H H 512 8.258 8.258 8.217 0.041 18840 410 1 2 . 1 1 513 513 SER N N 513 116.712 116.712 120.695 -3.983 18840 411 1 2 . 1 1 513 513 SER HA H 513 4.282 4.282 4.534 -0.252 18840 412 1 2 . 1 1 513 513 SER C C 513 174.628 174.628 173.529 1.099 18840 413 1 2 . 1 1 513 513 SER CA C 513 57.783 57.783 57.490 0.293 18840 414 1 2 . 1 1 513 513 SER CB C 513 64.481 64.481 64.051 0.430 18840 415 1 2 . 1 1 513 513 SER H H 513 8.004 8.004 8.370 -0.366 18840 416 1 2 . 1 1 514 514 LEU N N 514 124.291 124.291 125.612 -1.321 18840 417 1 2 . 1 1 514 514 LEU HA H 514 4.360 4.360 4.334 0.026 18840 418 1 2 . 1 1 514 514 LEU C C 514 176.422 176.422 175.863 0.559 18840 419 1 2 . 1 1 514 514 LEU CA C 514 54.896 54.896 54.874 0.022 18840 420 1 2 . 1 1 514 514 LEU CB C 514 43.711 43.711 43.336 0.375 18840 421 1 2 . 1 1 514 514 LEU H H 514 8.248 8.248 8.330 -0.082 18840 422 1 2 . 1 1 515 515 CYS N N 515 121.802 121.802 126.109 -4.307 18840 423 1 2 . 1 1 515 515 CYS HA H 515 3.818 3.818 4.567 -0.749 18840 424 1 2 . 1 1 515 515 CYS C C 515 177.418 177.418 176.120 1.298 18840 425 1 2 . 1 1 515 515 CYS CA C 515 60.542 60.542 58.965 1.577 18840 426 1 2 . 1 1 515 515 CYS CB C 515 31.859 31.859 27.173 4.686 18840 427 1 2 . 1 1 515 515 CYS H H 515 8.418 8.418 8.399 0.019 18840 428 1 2 . 1 1 516 516 HIS N N 516 129.671 129.671 127.890 1.781 18840 429 1 2 . 1 1 516 516 HIS HA H 516 4.497 4.497 4.279 0.218 18840 430 1 2 . 1 1 516 516 HIS C C 516 175.845 175.845 175.564 0.281 18840 431 1 2 . 1 1 516 516 HIS CA C 516 58.672 58.672 59.079 -0.407 18840 432 1 2 . 1 1 516 516 HIS CB C 516 31.910 31.910 30.128 1.782 18840 433 1 2 . 1 1 516 516 HIS H H 516 9.149 9.149 8.110 1.039 18840 434 1 2 . 1 1 517 517 ILE N N 517 121.766 121.766 117.051 4.715 18840 435 1 2 . 1 1 517 517 ILE HA H 517 4.170 4.170 3.930 0.240 18840 436 1 2 . 1 1 517 517 ILE C C 517 177.448 177.448 178.299 -0.851 18840 437 1 2 . 1 1 517 517 ILE CA C 517 61.900 61.900 62.678 -0.778 18840 438 1 2 . 1 1 517 517 ILE CB C 517 35.256 35.256 37.327 -2.071 18840 439 1 2 . 1 1 517 517 ILE H H 517 9.347 9.347 7.738 1.609 18840 440 1 2 . 1 1 518 518 CYS N N 518 118.774 118.774 116.424 2.350 18840 441 1 2 . 1 1 518 518 CYS HA H 518 4.772 4.772 4.378 0.394 18840 442 1 2 . 1 1 518 518 CYS C C 518 176.883 176.883 175.250 1.633 18840 443 1 2 . 1 1 518 518 CYS CA C 518 59.309 59.309 59.570 -0.261 18840 444 1 2 . 1 1 518 518 CYS CB C 518 31.994 31.994 27.198 4.796 18840 445 1 2 . 1 1 518 518 CYS H H 518 8.564 8.564 8.339 0.225 18840 446 1 2 . 1 1 519 519 SER N N 519 116.362 116.362 115.986 0.376 18840 447 1 2 . 1 1 519 519 SER HA H 519 4.403 4.403 4.210 0.193 18840 448 1 2 . 1 1 519 519 SER C C 519 174.258 174.258 174.194 0.064 18840 449 1 2 . 1 1 519 519 SER CA C 519 60.236 60.236 59.881 0.355 18840 450 1 2 . 1 1 519 519 SER CB C 519 62.727 62.727 61.531 1.196 18840 451 1 2 . 1 1 519 519 SER H H 519 7.619 7.619 8.630 -1.011 18840 452 1 2 . 1 1 520 520 SER N N 520 113.506 113.506 112.997 0.509 18840 453 1 2 . 1 1 520 520 SER HA H 520 4.832 4.832 4.489 0.343 18840 454 1 2 . 1 1 520 520 SER C C 520 172.953 172.953 173.682 -0.729 18840 455 1 2 . 1 1 520 520 SER CA C 520 58.849 58.849 58.569 0.280 18840 456 1 2 . 1 1 520 520 SER CB C 520 65.701 65.701 64.337 1.364 18840 457 1 2 . 1 1 520 520 SER H H 520 8.328 8.328 8.109 0.219 18840 458 1 2 . 1 1 521 521 GLN N N 521 118.652 118.652 118.602 0.050 18840 459 1 2 . 1 1 521 521 GLN HA H 521 4.932 4.932 4.783 0.149 18840 460 1 2 . 1 1 521 521 GLN CA C 521 52.845 52.845 53.640 -0.795 18840 461 1 2 . 1 1 521 521 GLN CB C 521 30.606 30.606 29.100 1.506 18840 462 1 2 . 1 1 521 521 GLN H H 521 7.416 7.416 7.735 -0.319 18840 463 1 2 . 1 1 522 522 PRO HA H 522 4.415 4.415 4.886 -0.471 18840 464 1 2 . 1 1 522 522 PRO C C 522 175.086 175.086 176.732 -1.646 18840 465 1 2 . 1 1 522 522 PRO CA C 522 63.782 63.782 62.393 1.389 18840 466 1 2 . 1 1 522 522 PRO CB C 522 32.536 32.536 32.772 -0.236 18840 467 1 2 . 1 1 523 523 GLY N N 523 110.217 110.217 107.787 2.430 18840 468 1 2 . 1 1 523 523 GLY CA C 523 46.095 46.095 42.881 3.214 18840 469 1 2 . 1 1 523 523 GLY H H 523 8.909 8.909 8.040 0.869 18840 470 1 2 . 1 1 524 524 PRO HA H 524 4.457 4.457 4.217 0.240 18840 471 1 2 . 1 1 524 524 PRO C C 524 176.040 176.040 175.883 0.157 18840 472 1 2 . 1 1 524 524 PRO CA C 524 63.115 63.115 63.502 -0.387 18840 473 1 2 . 1 1 524 524 PRO CB C 524 32.830 32.830 32.169 0.661 18840 474 1 2 . 1 1 525 525 PHE N N 525 116.223 116.223 118.144 -1.921 18840 475 1 2 . 1 1 525 525 PHE HA H 525 5.039 5.039 5.290 -0.251 18840 476 1 2 . 1 1 525 525 PHE C C 525 174.437 174.437 175.037 -0.600 18840 477 1 2 . 1 1 525 525 PHE CA C 525 56.080 56.080 56.380 -0.300 18840 478 1 2 . 1 1 525 525 PHE CB C 525 39.780 39.780 40.258 -0.478 18840 479 1 2 . 1 1 525 525 PHE H H 525 8.148 8.148 7.351 0.797 18840 480 1 2 . 1 1 526 526 PHE N N 526 125.861 125.861 124.686 1.175 18840 481 1 2 . 1 1 526 526 PHE HA H 526 5.102 5.102 5.618 -0.516 18840 482 1 2 . 1 1 526 526 PHE C C 526 175.221 175.221 174.091 1.130 18840 483 1 2 . 1 1 526 526 PHE CA C 526 56.865 56.865 56.023 0.842 18840 484 1 2 . 1 1 526 526 PHE CB C 526 41.661 41.661 42.650 -0.989 18840 485 1 2 . 1 1 526 526 PHE H H 526 9.522 9.522 9.149 0.373 18840 486 1 2 . 1 1 527 527 CYS N N 527 128.663 128.663 128.183 0.480 18840 487 1 2 . 1 1 527 527 CYS HA H 527 4.931 4.931 5.087 -0.156 18840 488 1 2 . 1 1 527 527 CYS C C 527 174.052 174.052 174.475 -0.423 18840 489 1 2 . 1 1 527 527 CYS CA C 527 58.267 58.267 56.077 2.190 18840 490 1 2 . 1 1 527 527 CYS CB C 527 31.075 31.075 29.385 1.690 18840 491 1 2 . 1 1 527 527 CYS H H 527 7.723 7.723 8.607 -0.884 18840 492 1 2 . 1 1 528 528 ARG N N 528 125.354 125.354 125.490 -0.136 18840 493 1 2 . 1 1 528 528 ARG HA H 528 4.148 4.148 4.377 -0.229 18840 494 1 2 . 1 1 528 528 ARG C C 528 175.406 175.406 176.118 -0.712 18840 495 1 2 . 1 1 528 528 ARG CA C 528 55.971 55.971 56.774 -0.803 18840 496 1 2 . 1 1 528 528 ARG CB C 528 31.165 31.165 30.457 0.708 18840 497 1 2 . 1 1 528 528 ARG H H 528 8.866 8.866 8.710 0.156 18840 498 1 2 . 1 1 529 529 ASP N N 529 124.001 124.001 121.574 2.427 18840 499 1 2 . 1 1 529 529 ASP HA H 529 4.203 4.203 4.455 -0.252 18840 500 1 2 . 1 1 529 529 ASP C C 529 178.105 178.105 177.449 0.656 18840 501 1 2 . 1 1 529 529 ASP CA C 529 56.288 56.288 54.615 1.673 18840 502 1 2 . 1 1 529 529 ASP CB C 529 43.574 43.574 42.121 1.453 18840 503 1 2 . 1 1 529 529 ASP H H 529 8.198 8.198 7.494 0.704 18840 504 1 2 . 1 1 530 530 GLN N N 530 125.372 125.372 123.491 1.881 18840 505 1 2 . 1 1 530 530 GLN HA H 530 3.894 3.894 4.008 -0.114 18840 506 1 2 . 1 1 530 530 GLN C C 530 177.471 177.471 176.338 1.133 18840 507 1 2 . 1 1 530 530 GLN CA C 530 59.159 59.159 58.151 1.008 18840 508 1 2 . 1 1 530 530 GLN CB C 530 28.731 28.731 28.472 0.259 18840 509 1 2 . 1 1 530 530 GLN H H 530 8.746 8.746 8.662 0.084 18840 510 1 2 . 1 1 531 531 VAL N N 531 113.137 113.137 119.125 -5.988 18840 511 1 2 . 1 1 531 531 VAL HA H 531 4.282 4.282 3.770 0.512 18840 512 1 2 . 1 1 531 531 VAL C C 531 176.295 176.295 177.107 -0.812 18840 513 1 2 . 1 1 531 531 VAL CA C 531 63.324 63.324 65.168 -1.844 18840 514 1 2 . 1 1 531 531 VAL CB C 531 31.457 31.457 32.404 -0.947 18840 515 1 2 . 1 1 531 531 VAL H H 531 8.659 8.659 8.984 -0.325 18840 516 1 2 . 1 1 532 532 CYS N N 532 121.034 121.034 117.311 3.723 18840 517 1 2 . 1 1 532 532 CYS HA H 532 4.568 4.568 4.696 -0.128 18840 518 1 2 . 1 1 532 532 CYS C C 532 172.994 172.994 175.597 -2.603 18840 519 1 2 . 1 1 532 532 CYS CA C 532 60.437 60.437 59.828 0.610 18840 520 1 2 . 1 1 532 532 CYS CB C 532 31.856 31.856 29.410 2.446 18840 521 1 2 . 1 1 532 532 CYS H H 532 8.023 8.023 7.646 0.377 18840 522 1 2 . 1 1 533 533 PHE N N 533 129.389 129.389 120.541 8.848 18840 523 1 2 . 1 1 533 533 PHE HA H 533 4.197 4.197 4.228 -0.031 18840 524 1 2 . 1 1 533 533 PHE C C 533 174.830 174.830 174.344 0.486 18840 525 1 2 . 1 1 533 533 PHE CA C 533 59.754 59.754 59.118 0.636 18840 526 1 2 . 1 1 533 533 PHE CB C 533 38.260 38.260 37.243 1.017 18840 527 1 2 . 1 1 533 533 PHE H H 533 7.928 7.928 8.263 -0.335 18840 528 1 2 . 1 1 534 534 LYS N N 534 113.676 113.676 117.360 -3.684 18840 529 1 2 . 1 1 534 534 LYS HA H 534 4.466 4.466 4.561 -0.095 18840 530 1 2 . 1 1 534 534 LYS C C 534 173.055 173.055 174.015 -0.960 18840 531 1 2 . 1 1 534 534 LYS CA C 534 54.068 54.068 54.586 -0.518 18840 532 1 2 . 1 1 534 534 LYS CB C 534 37.800 37.800 36.254 1.546 18840 533 1 2 . 1 1 534 534 LYS H H 534 6.430 6.430 7.614 -1.184 18840 534 1 2 . 1 1 535 535 TYR N N 535 117.686 117.686 117.401 0.285 18840 535 1 2 . 1 1 535 535 TYR HA H 535 5.165 5.165 5.819 -0.654 18840 536 1 2 . 1 1 535 535 TYR C C 535 175.888 175.888 176.213 -0.325 18840 537 1 2 . 1 1 535 535 TYR CA C 535 58.593 58.593 55.585 3.008 18840 538 1 2 . 1 1 535 535 TYR CB C 535 40.020 40.020 39.591 0.429 18840 539 1 2 . 1 1 535 535 TYR H H 535 7.145 7.145 8.598 -1.453 18840 540 1 2 . 1 1 536 536 PHE N N 536 117.497 117.497 117.533 -0.036 18840 541 1 2 . 1 1 536 536 PHE HA H 536 6.399 6.399 5.089 1.310 18840 542 1 2 . 1 1 536 536 PHE C C 536 177.127 177.127 175.461 1.666 18840 543 1 2 . 1 1 536 536 PHE CA C 536 57.056 57.056 57.106 -0.050 18840 544 1 2 . 1 1 536 536 PHE CB C 536 45.217 45.217 44.060 1.157 18840 545 1 2 . 1 1 536 536 PHE H H 536 9.608 9.608 9.126 0.482 18840 546 1 2 . 1 1 537 537 CYS N N 537 119.624 119.624 121.940 -2.316 18840 547 1 2 . 1 1 537 537 CYS HA H 537 5.499 5.499 4.826 0.673 18840 548 1 2 . 1 1 537 537 CYS C C 537 176.128 176.128 176.361 -0.233 18840 549 1 2 . 1 1 537 537 CYS CA C 537 58.097 58.097 59.005 -0.909 18840 550 1 2 . 1 1 537 537 CYS CB C 537 32.306 32.306 29.171 3.135 18840 551 1 2 . 1 1 537 537 CYS H H 537 9.777 9.777 8.772 1.005 18840 552 1 2 . 1 1 538 538 ARG N N 538 120.573 120.573 122.398 -1.825 18840 553 1 2 . 1 1 538 538 ARG HA H 538 3.791 3.791 4.162 -0.371 18840 554 1 2 . 1 1 538 538 ARG C C 538 178.403 178.403 178.465 -0.062 18840 555 1 2 . 1 1 538 538 ARG CA C 538 60.937 60.937 61.304 -0.367 18840 556 1 2 . 1 1 538 538 ARG CB C 538 30.392 30.392 30.324 0.068 18840 557 1 2 . 1 1 538 538 ARG H H 538 9.375 9.375 8.975 0.400 18840 558 1 2 . 1 1 539 539 SER N N 539 114.562 114.562 113.343 1.219 18840 559 1 2 . 1 1 539 539 SER HA H 539 4.491 4.491 4.406 0.085 18840 560 1 2 . 1 1 539 539 SER C C 539 178.610 178.610 176.210 2.400 18840 561 1 2 . 1 1 539 539 SER CA C 539 62.159 62.159 61.677 0.482 18840 562 1 2 . 1 1 539 539 SER CB C 539 62.934 62.934 62.848 0.086 18840 563 1 2 . 1 1 539 539 SER H H 539 8.549 8.549 8.813 -0.264 18840 564 1 2 . 1 1 540 540 CYS N N 540 126.990 126.990 121.383 5.607 18840 565 1 2 . 1 1 540 540 CYS HA H 540 4.454 4.454 4.609 -0.155 18840 566 1 2 . 1 1 540 540 CYS C C 540 178.546 178.546 177.078 1.468 18840 567 1 2 . 1 1 540 540 CYS CA C 540 65.024 65.024 61.775 3.249 18840 568 1 2 . 1 1 540 540 CYS CB C 540 30.747 30.747 26.399 4.348 18840 569 1 2 . 1 1 540 540 CYS H H 540 9.534 9.534 8.402 1.132 18840 570 1 2 . 1 1 541 541 TRP N N 541 121.037 121.037 122.049 -1.012 18840 571 1 2 . 1 1 541 541 TRP HA H 541 3.319 3.319 4.287 -0.968 18840 572 1 2 . 1 1 541 541 TRP C C 541 179.671 179.671 178.647 1.024 18840 573 1 2 . 1 1 541 541 TRP CA C 541 62.783 62.783 61.062 1.721 18840 574 1 2 . 1 1 541 541 TRP CB C 541 27.747 27.747 29.052 -1.305 18840 575 1 2 . 1 1 541 541 TRP H H 541 9.632 9.632 9.172 0.460 18840 576 1 2 . 1 1 542 542 HIS N N 542 119.251 119.251 119.905 -0.654 18840 577 1 2 . 1 1 542 542 HIS HA H 542 4.330 4.330 4.345 -0.015 18840 578 1 2 . 1 1 542 542 HIS C C 542 177.291 177.291 175.921 1.370 18840 579 1 2 . 1 1 542 542 HIS CA C 542 59.909 59.909 60.320 -0.411 18840 580 1 2 . 1 1 542 542 HIS CB C 542 30.594 30.594 29.993 0.601 18840 581 1 2 . 1 1 542 542 HIS H H 542 8.073 8.073 8.189 -0.116 18840 582 1 2 . 1 1 543 543 TRP N N 543 121.212 121.212 119.001 2.211 18840 583 1 2 . 1 1 543 543 TRP HA H 543 4.231 4.231 4.323 -0.092 18840 584 1 2 . 1 1 543 543 TRP C C 543 178.256 178.256 178.260 -0.004 18840 585 1 2 . 1 1 543 543 TRP CA C 543 60.959 60.959 59.338 1.621 18840 586 1 2 . 1 1 543 543 TRP CB C 543 28.593 28.593 30.046 -1.453 18840 587 1 2 . 1 1 543 543 TRP H H 543 8.200 8.200 8.051 0.149 18840 588 1 2 . 1 1 544 544 ARG N N 544 118.044 118.044 120.319 -2.275 18840 589 1 2 . 1 1 544 544 ARG HA H 544 3.199 3.199 3.844 -0.645 18840 590 1 2 . 1 1 544 544 ARG C C 544 176.093 176.093 177.636 -1.543 18840 591 1 2 . 1 1 544 544 ARG CA C 544 57.149 57.149 58.165 -1.016 18840 592 1 2 . 1 1 544 544 ARG CB C 544 29.942 29.942 29.355 0.587 18840 593 1 2 . 1 1 544 544 ARG H H 544 8.194 8.194 8.258 -0.064 18840 594 1 2 . 1 1 545 545 HIS N N 545 109.049 109.049 115.296 -6.247 18840 595 1 2 . 1 1 545 545 HIS HA H 545 3.781 3.781 4.361 -0.580 18840 596 1 2 . 1 1 545 545 HIS C C 545 173.247 173.247 174.913 -1.666 18840 597 1 2 . 1 1 545 545 HIS CA C 545 58.848 58.848 55.916 2.932 18840 598 1 2 . 1 1 545 545 HIS CB C 545 25.314 25.314 28.764 -3.450 18840 599 1 2 . 1 1 545 545 HIS H H 545 7.410 7.410 7.679 -0.269 18840 600 1 2 . 1 1 546 546 SER N N 546 112.353 112.353 115.354 -3.001 18840 601 1 2 . 1 1 546 546 SER HA H 546 4.336 4.336 4.048 0.288 18840 602 1 2 . 1 1 546 546 SER C C 546 174.714 174.714 174.532 0.182 18840 603 1 2 . 1 1 546 546 SER CA C 546 59.042 59.042 59.208 -0.166 18840 604 1 2 . 1 1 546 546 SER CB C 546 63.464 63.464 63.027 0.437 18840 605 1 2 . 1 1 546 546 SER H H 546 6.948 6.948 7.162 -0.214 18840 606 1 2 . 1 1 547 547 MET N N 547 121.366 121.366 121.551 -0.185 18840 607 1 2 . 1 1 547 547 MET HA H 547 4.188 4.188 4.219 -0.031 18840 608 1 2 . 1 1 547 547 MET C C 547 175.421 175.421 175.783 -0.362 18840 609 1 2 . 1 1 547 547 MET CA C 547 55.504 55.504 55.830 -0.326 18840 610 1 2 . 1 1 547 547 MET CB C 547 33.318 33.318 33.000 0.318 18840 611 1 2 . 1 1 547 547 MET H H 547 6.821 6.821 7.395 -0.574 18840 612 1 2 . 1 1 548 548 GLU N N 548 122.898 122.898 123.019 -0.121 18840 613 1 2 . 1 1 548 548 GLU HA H 548 3.807 3.807 4.037 -0.230 18840 614 1 2 . 1 1 548 548 GLU C C 548 176.918 176.918 177.406 -0.488 18840 615 1 2 . 1 1 548 548 GLU CA C 548 58.746 58.746 58.230 0.516 18840 616 1 2 . 1 1 548 548 GLU CB C 548 29.505 29.505 29.738 -0.233 18840 617 1 2 . 1 1 548 548 GLU H H 548 8.515 8.515 8.574 -0.059 18840 618 1 2 . 1 1 549 549 GLY N N 549 112.898 112.898 110.033 2.865 18840 619 1 2 . 1 1 549 549 GLY C C 549 174.645 174.645 174.862 -0.217 18840 620 1 2 . 1 1 549 549 GLY CA C 549 45.411 45.411 45.124 0.287 18840 621 1 2 . 1 1 549 549 GLY H H 549 8.950 8.950 8.818 0.132 18840 622 1 2 . 1 1 550 550 LEU N N 550 118.164 118.164 119.142 -0.978 18840 623 1 2 . 1 1 550 550 LEU HA H 550 3.928 3.928 4.334 -0.406 18840 624 1 2 . 1 1 550 550 LEU C C 550 177.030 177.030 177.406 -0.376 18840 625 1 2 . 1 1 550 550 LEU CA C 550 54.291 54.291 53.911 0.380 18840 626 1 2 . 1 1 550 550 LEU CB C 550 42.968 42.968 41.499 1.469 18840 627 1 2 . 1 1 550 550 LEU H H 550 7.702 7.702 7.292 0.410 18840 628 1 2 . 1 1 551 551 ARG N N 551 115.914 115.914 118.057 -2.143 18840 629 1 2 . 1 1 551 551 ARG HA H 551 4.405 4.405 4.094 0.311 18840 630 1 2 . 1 1 551 551 ARG C C 551 177.206 177.206 176.721 0.485 18840 631 1 2 . 1 1 551 551 ARG CA C 551 58.406 58.406 56.945 1.461 18840 632 1 2 . 1 1 551 551 ARG CB C 551 30.360 30.360 28.848 1.512 18840 633 1 2 . 1 1 551 551 ARG H H 551 7.299 7.299 8.281 -0.982 18840 634 1 2 . 1 1 552 552 HIS N N 552 113.766 113.766 112.920 0.846 18840 635 1 2 . 1 1 552 552 HIS HA H 552 4.692 4.692 4.644 0.048 18840 636 1 2 . 1 1 552 552 HIS C C 552 175.959 175.959 175.093 0.866 18840 637 1 2 . 1 1 552 552 HIS CA C 552 56.223 56.223 55.725 0.498 18840 638 1 2 . 1 1 552 552 HIS CB C 552 30.228 30.228 29.586 0.642 18840 639 1 2 . 1 1 552 552 HIS H H 552 8.480 8.480 8.323 0.157 18840 640 1 2 . 1 1 553 553 HIS N N 553 122.502 122.502 120.925 1.577 18840 641 1 2 . 1 1 553 553 HIS HA H 553 4.459 4.459 4.416 0.043 18840 642 1 2 . 1 1 553 553 HIS C C 553 174.820 174.820 174.244 0.576 18840 643 1 2 . 1 1 553 553 HIS CA C 553 55.553 55.553 56.251 -0.697 18840 644 1 2 . 1 1 553 553 HIS CB C 553 31.320 31.320 30.357 0.963 18840 645 1 2 . 1 1 553 553 HIS H H 553 6.954 6.954 7.210 -0.256 18840 646 1 2 . 1 1 554 554 SER N N 554 117.586 117.586 117.306 0.280 18840 647 1 2 . 1 1 554 554 SER HA H 554 5.128 5.128 4.822 0.306 18840 648 1 2 . 1 1 554 554 SER CA C 554 55.199 55.199 55.706 -0.507 18840 649 1 2 . 1 1 554 554 SER CB C 554 64.833 64.833 65.467 -0.634 18840 650 1 2 . 1 1 554 554 SER H H 554 8.668 8.668 8.439 0.229 18840 651 1 2 . 1 1 555 555 PRO HA H 555 4.296 4.296 4.124 0.172 18840 652 1 2 . 1 1 555 555 PRO C C 555 176.447 176.447 175.841 0.606 18840 653 1 2 . 1 1 555 555 PRO CA C 555 63.029 63.029 62.097 0.932 18840 654 1 2 . 1 1 555 555 PRO CB C 555 31.779 31.779 31.151 0.628 18840 655 1 2 . 1 1 556 556 LEU N N 556 123.469 123.469 125.553 -2.084 18840 656 1 2 . 1 1 556 556 LEU HA H 556 4.788 4.788 4.664 0.124 18840 657 1 2 . 1 1 556 556 LEU C C 556 176.176 176.176 177.267 -1.091 18840 658 1 2 . 1 1 556 556 LEU CA C 556 54.247 54.247 53.932 0.315 18840 659 1 2 . 1 1 556 556 LEU CB C 556 44.237 44.237 43.959 0.278 18840 660 1 2 . 1 1 556 556 LEU H H 556 8.802 8.802 8.811 -0.009 18840 661 1 2 . 1 1 557 557 MET N N 557 122.362 122.362 119.690 2.672 18840 662 1 2 . 1 1 557 557 MET HA H 557 4.983 4.983 4.767 0.216 18840 663 1 2 . 1 1 557 557 MET C C 557 175.983 175.983 176.805 -0.822 18840 664 1 2 . 1 1 557 557 MET CA C 557 54.641 54.641 53.517 1.124 18840 665 1 2 . 1 1 557 557 MET CB C 557 34.181 34.181 32.148 2.033 18840 666 1 2 . 1 1 557 557 MET H H 557 8.624 8.624 8.249 0.375 18840 667 1 2 . 1 1 558 558 ARG N N 558 123.450 123.450 125.234 -1.784 18840 668 1 2 . 1 1 558 558 ARG HA H 558 4.302 4.302 4.225 0.077 18840 669 1 2 . 1 1 558 558 ARG CA C 558 56.545 56.545 55.775 0.770 18840 670 1 2 . 1 1 558 558 ARG CB C 558 31.139 31.139 30.439 0.700 18840 671 1 2 . 1 1 558 558 ARG H H 558 8.901 8.901 8.178 0.723 18840 672 1 2 . 1 1 559 559 ASN HA H 559 4.642 4.642 4.355 0.287 18840 673 1 2 . 1 1 559 559 ASN CA C 559 53.286 53.286 53.499 -0.213 18840 674 1 2 . 1 1 559 559 ASN CB C 559 38.877 38.877 38.980 -0.103 18840 675 1 2 . 1 1 560 560 GLN N N 560 121.173 121.173 119.267 1.906 18840 676 1 2 . 1 1 560 560 GLN HA H 560 4.308 4.308 4.432 -0.124 18840 677 1 2 . 1 1 560 560 GLN C C 560 175.883 175.883 175.572 0.311 18840 678 1 2 . 1 1 560 560 GLN CA C 560 56.023 56.023 54.724 1.300 18840 679 1 2 . 1 1 560 560 GLN CB C 560 29.702 29.702 31.457 -1.755 18840 680 1 2 . 1 1 560 560 GLN H H 560 8.284 8.284 8.252 0.032 18840 681 1 2 . 1 1 561 561 LYS N N 561 122.223 122.223 120.225 1.998 18840 682 1 2 . 1 1 561 561 LYS HA H 561 4.267 4.267 4.261 0.006 18840 683 1 2 . 1 1 561 561 LYS C C 561 176.349 176.349 175.817 0.532 18840 684 1 2 . 1 1 561 561 LYS CA C 561 56.659 56.659 56.024 0.635 18840 685 1 2 . 1 1 561 561 LYS CB C 561 32.966 32.966 32.859 0.107 18840 686 1 2 . 1 1 561 561 LYS H H 561 8.350 8.350 8.258 0.092 18840 687 1 2 . 1 1 562 562 ASN N N 562 119.683 119.683 120.348 -0.665 18840 688 1 2 . 1 1 562 562 ASN HA H 562 4.681 4.681 4.597 0.084 18840 689 1 2 . 1 1 562 562 ASN C C 562 175.298 175.298 175.523 -0.225 18840 690 1 2 . 1 1 562 562 ASN CA C 562 53.375 53.375 53.651 -0.276 18840 691 1 2 . 1 1 562 562 ASN CB C 562 38.920 38.920 38.605 0.315 18840 692 1 2 . 1 1 562 562 ASN H H 562 8.440 8.440 8.499 -0.059 18840 693 1 2 . 1 1 563 563 ARG N N 563 121.405 121.405 123.348 -1.943 18840 694 1 2 . 1 1 563 563 ARG HA H 563 4.315 4.315 4.518 -0.203 18840 695 1 2 . 1 1 563 563 ARG C C 563 176.088 176.088 176.058 0.030 18840 696 1 2 . 1 1 563 563 ARG CA C 563 56.489 56.489 55.969 0.520 18840 697 1 2 . 1 1 563 563 ARG CB C 563 30.775 30.775 30.384 0.392 18840 698 1 2 . 1 1 563 563 ARG H H 563 8.333 8.333 8.457 -0.124 18840 699 1 2 . 1 1 564 564 ASP N N 564 121.203 121.203 121.835 -0.632 18840 700 1 2 . 1 1 564 564 ASP HA H 564 4.667 4.667 4.687 -0.020 18840 701 1 2 . 1 1 564 564 ASP C C 564 176.148 176.148 175.957 0.191 18840 702 1 2 . 1 1 564 564 ASP CA C 564 54.597 54.597 54.831 -0.234 18840 703 1 2 . 1 1 564 564 ASP CB C 564 41.249 41.249 41.873 -0.624 18840 704 1 2 . 1 1 564 564 ASP H H 564 8.387 8.387 8.652 -0.265 18840 705 1 2 . 1 1 565 565 SER N N 565 116.058 116.058 112.857 3.201 18840 706 1 2 . 1 1 565 565 SER HA H 565 4.528 4.528 4.648 -0.120 18840 707 1 2 . 1 1 565 565 SER C C 565 173.755 173.755 173.684 0.071 18840 708 1 2 . 1 1 565 565 SER CA C 565 58.266 58.266 57.368 0.898 18840 709 1 2 . 1 1 565 565 SER CB C 565 64.077 64.077 65.561 -1.484 18840 710 1 2 . 1 1 565 565 SER H H 565 8.186 8.186 8.055 0.131 18840 711 1 3 . 1 1 503 503 PRO HA H 503 4.533 4.533 5.090 -0.557 18840 712 1 3 . 1 1 503 503 PRO C C 503 176.777 176.777 175.389 1.388 18840 713 1 3 . 1 1 503 503 PRO CA C 503 62.962 62.962 62.552 0.410 18840 714 1 3 . 1 1 503 503 PRO CB C 503 32.403 32.403 34.114 -1.711 18840 715 1 3 . 1 1 504 504 VAL N N 504 120.734 120.734 119.731 1.003 18840 716 1 3 . 1 1 504 504 VAL HA H 504 4.102 4.102 4.131 -0.029 18840 717 1 3 . 1 1 504 504 VAL C C 504 175.887 175.887 176.332 -0.445 18840 718 1 3 . 1 1 504 504 VAL CA C 504 62.483 62.483 61.176 1.307 18840 719 1 3 . 1 1 504 504 VAL CB C 504 32.864 32.864 35.381 -2.517 18840 720 1 3 . 1 1 504 504 VAL H H 504 8.290 8.290 7.800 0.490 18840 721 1 3 . 1 1 505 505 GLN N N 505 125.069 125.069 123.103 1.966 18840 722 1 3 . 1 1 505 505 GLN HA H 505 4.430 4.430 4.169 0.261 18840 723 1 3 . 1 1 505 505 GLN C C 505 175.207 175.207 176.894 -1.687 18840 724 1 3 . 1 1 505 505 GLN CA C 505 55.476 55.476 57.394 -1.918 18840 725 1 3 . 1 1 505 505 GLN CB C 505 29.918 29.918 28.693 1.225 18840 726 1 3 . 1 1 505 505 GLN H H 505 8.450 8.450 8.621 -0.171 18840 727 1 3 . 1 1 506 506 ILE N N 506 123.121 123.121 116.102 7.019 18840 728 1 3 . 1 1 506 506 ILE HA H 506 4.303 4.303 4.313 -0.010 18840 729 1 3 . 1 1 506 506 ILE C C 506 175.607 175.607 174.059 1.548 18840 730 1 3 . 1 1 506 506 ILE CA C 506 60.346 60.346 59.372 0.974 18840 731 1 3 . 1 1 506 506 ILE CB C 506 39.046 39.046 36.054 2.992 18840 732 1 3 . 1 1 506 506 ILE H H 506 8.259 8.259 7.690 0.569 18840 733 1 3 . 1 1 507 507 ASP N N 507 126.258 126.258 124.370 1.888 18840 734 1 3 . 1 1 507 507 ASP HA H 507 4.909 4.909 4.882 0.027 18840 735 1 3 . 1 1 507 507 ASP CA C 507 51.929 51.929 50.361 1.568 18840 736 1 3 . 1 1 507 507 ASP CB C 507 41.712 41.712 42.558 -0.846 18840 737 1 3 . 1 1 507 507 ASP H H 507 8.419 8.419 7.604 0.815 18840 738 1 3 . 1 1 508 508 PRO HA H 508 4.304 4.304 4.366 -0.062 18840 739 1 3 . 1 1 508 508 PRO C C 508 176.539 176.539 175.907 0.632 18840 740 1 3 . 1 1 508 508 PRO CA C 508 63.271 63.271 62.118 1.153 18840 741 1 3 . 1 1 508 508 PRO CB C 508 32.117 32.117 33.523 -1.406 18840 742 1 3 . 1 1 509 509 TYR N N 509 119.278 119.278 119.336 -0.058 18840 743 1 3 . 1 1 509 509 TYR HA H 509 4.486 4.486 4.508 -0.022 18840 744 1 3 . 1 1 509 509 TYR C C 509 175.814 175.814 176.286 -0.472 18840 745 1 3 . 1 1 509 509 TYR CA C 509 57.945 57.945 57.921 0.024 18840 746 1 3 . 1 1 509 509 TYR CB C 509 37.723 37.723 37.345 0.378 18840 747 1 3 . 1 1 509 509 TYR H H 509 8.218 8.218 8.318 -0.100 18840 748 1 3 . 1 1 510 510 LEU N N 510 122.827 122.827 118.075 4.752 18840 749 1 3 . 1 1 510 510 LEU HA H 510 4.254 4.254 3.786 0.468 18840 750 1 3 . 1 1 510 510 LEU C C 510 176.689 176.689 177.423 -0.734 18840 751 1 3 . 1 1 510 510 LEU CA C 510 54.934 54.934 56.710 -1.776 18840 752 1 3 . 1 1 510 510 LEU CB C 510 42.647 42.647 40.451 2.196 18840 753 1 3 . 1 1 510 510 LEU H H 510 7.655 7.655 7.997 -0.342 18840 754 1 3 . 1 1 511 511 GLU N N 511 120.110 120.110 119.174 0.936 18840 755 1 3 . 1 1 511 511 GLU HA H 511 4.234 4.234 4.431 -0.197 18840 756 1 3 . 1 1 511 511 GLU CA C 511 55.912 55.912 56.127 -0.214 18840 757 1 3 . 1 1 511 511 GLU CB C 511 31.398 31.398 30.334 1.064 18840 758 1 3 . 1 1 511 511 GLU H H 511 8.223 8.223 8.338 -0.115 18840 759 1 3 . 1 1 512 512 ASP N N 512 120.430 120.430 118.266 2.164 18840 760 1 3 . 1 1 512 512 ASP HA H 512 4.439 4.439 4.469 -0.030 18840 761 1 3 . 1 1 512 512 ASP C C 512 175.742 175.742 174.708 1.034 18840 762 1 3 . 1 1 512 512 ASP CA C 512 54.405 54.405 55.239 -0.834 18840 763 1 3 . 1 1 512 512 ASP CB C 512 40.977 40.977 39.721 1.256 18840 764 1 3 . 1 1 512 512 ASP H H 512 8.258 8.258 8.260 -0.002 18840 765 1 3 . 1 1 513 513 SER N N 513 116.712 116.712 113.487 3.225 18840 766 1 3 . 1 1 513 513 SER HA H 513 4.282 4.282 4.424 -0.142 18840 767 1 3 . 1 1 513 513 SER C C 513 174.628 174.628 173.773 0.855 18840 768 1 3 . 1 1 513 513 SER CA C 513 57.783 57.783 57.575 0.207 18840 769 1 3 . 1 1 513 513 SER CB C 513 64.481 64.481 63.495 0.986 18840 770 1 3 . 1 1 513 513 SER H H 513 8.004 8.004 8.169 -0.165 18840 771 1 3 . 1 1 514 514 LEU N N 514 124.291 124.291 125.161 -0.870 18840 772 1 3 . 1 1 514 514 LEU HA H 514 4.360 4.360 4.250 0.110 18840 773 1 3 . 1 1 514 514 LEU C C 514 176.422 176.422 175.879 0.543 18840 774 1 3 . 1 1 514 514 LEU CA C 514 54.896 54.896 55.479 -0.583 18840 775 1 3 . 1 1 514 514 LEU CB C 514 43.711 43.711 43.112 0.599 18840 776 1 3 . 1 1 514 514 LEU H H 514 8.248 8.248 8.208 0.040 18840 777 1 3 . 1 1 515 515 CYS N N 515 121.802 121.802 126.319 -4.517 18840 778 1 3 . 1 1 515 515 CYS HA H 515 3.818 3.818 4.701 -0.883 18840 779 1 3 . 1 1 515 515 CYS C C 515 177.418 177.418 176.349 1.069 18840 780 1 3 . 1 1 515 515 CYS CA C 515 60.542 60.542 58.450 2.092 18840 781 1 3 . 1 1 515 515 CYS CB C 515 31.859 31.859 26.968 4.891 18840 782 1 3 . 1 1 515 515 CYS H H 515 8.418 8.418 8.493 -0.075 18840 783 1 3 . 1 1 516 516 HIS N N 516 129.671 129.671 125.907 3.764 18840 784 1 3 . 1 1 516 516 HIS HA H 516 4.497 4.497 4.347 0.150 18840 785 1 3 . 1 1 516 516 HIS C C 516 175.845 175.845 175.661 0.184 18840 786 1 3 . 1 1 516 516 HIS CA C 516 58.672 58.672 58.194 0.478 18840 787 1 3 . 1 1 516 516 HIS CB C 516 31.910 31.910 29.632 2.278 18840 788 1 3 . 1 1 516 516 HIS H H 516 9.149 9.149 9.001 0.148 18840 789 1 3 . 1 1 517 517 ILE N N 517 121.766 121.766 120.723 1.043 18840 790 1 3 . 1 1 517 517 ILE HA H 517 4.170 4.170 3.608 0.562 18840 791 1 3 . 1 1 517 517 ILE C C 517 177.448 177.448 177.295 0.153 18840 792 1 3 . 1 1 517 517 ILE CA C 517 61.900 61.900 62.268 -0.368 18840 793 1 3 . 1 1 517 517 ILE CB C 517 35.256 35.256 37.268 -2.012 18840 794 1 3 . 1 1 517 517 ILE H H 517 9.347 9.347 7.680 1.667 18840 795 1 3 . 1 1 518 518 CYS N N 518 118.774 118.774 116.726 2.048 18840 796 1 3 . 1 1 518 518 CYS HA H 518 4.772 4.772 4.511 0.261 18840 797 1 3 . 1 1 518 518 CYS C C 518 176.883 176.883 176.027 0.856 18840 798 1 3 . 1 1 518 518 CYS CA C 518 59.309 59.309 58.810 0.498 18840 799 1 3 . 1 1 518 518 CYS CB C 518 31.994 31.994 28.780 3.214 18840 800 1 3 . 1 1 518 518 CYS H H 518 8.564 8.564 8.276 0.288 18840 801 1 3 . 1 1 519 519 SER N N 519 116.362 116.362 117.273 -0.911 18840 802 1 3 . 1 1 519 519 SER HA H 519 4.403 4.403 4.210 0.193 18840 803 1 3 . 1 1 519 519 SER C C 519 174.258 174.258 174.251 0.007 18840 804 1 3 . 1 1 519 519 SER CA C 519 60.236 60.236 60.187 0.049 18840 805 1 3 . 1 1 519 519 SER CB C 519 62.727 62.727 60.645 2.083 18840 806 1 3 . 1 1 519 519 SER H H 519 7.619 7.619 8.606 -0.987 18840 807 1 3 . 1 1 520 520 SER N N 520 113.506 113.506 113.637 -0.131 18840 808 1 3 . 1 1 520 520 SER HA H 520 4.832 4.832 4.514 0.318 18840 809 1 3 . 1 1 520 520 SER C C 520 172.953 172.953 174.436 -1.483 18840 810 1 3 . 1 1 520 520 SER CA C 520 58.849 58.849 58.442 0.407 18840 811 1 3 . 1 1 520 520 SER CB C 520 65.701 65.701 64.892 0.809 18840 812 1 3 . 1 1 520 520 SER H H 520 8.328 8.328 7.955 0.373 18840 813 1 3 . 1 1 521 521 GLN N N 521 118.652 118.652 120.055 -1.403 18840 814 1 3 . 1 1 521 521 GLN HA H 521 4.932 4.932 4.820 0.112 18840 815 1 3 . 1 1 521 521 GLN CA C 521 52.845 52.845 53.125 -0.280 18840 816 1 3 . 1 1 521 521 GLN CB C 521 30.606 30.606 31.105 -0.499 18840 817 1 3 . 1 1 521 521 GLN H H 521 7.416 7.416 7.718 -0.302 18840 818 1 3 . 1 1 522 522 PRO HA H 522 4.415 4.415 4.658 -0.243 18840 819 1 3 . 1 1 522 522 PRO C C 522 175.086 175.086 176.902 -1.816 18840 820 1 3 . 1 1 522 522 PRO CA C 522 63.782 63.782 62.520 1.262 18840 821 1 3 . 1 1 522 522 PRO CB C 522 32.536 32.536 32.214 0.322 18840 822 1 3 . 1 1 523 523 GLY N N 523 110.217 110.217 109.208 1.009 18840 823 1 3 . 1 1 523 523 GLY CA C 523 46.095 46.095 43.037 3.058 18840 824 1 3 . 1 1 523 523 GLY H H 523 8.909 8.909 8.297 0.612 18840 825 1 3 . 1 1 524 524 PRO HA H 524 4.457 4.457 4.365 0.092 18840 826 1 3 . 1 1 524 524 PRO C C 524 176.040 176.040 176.186 -0.146 18840 827 1 3 . 1 1 524 524 PRO CA C 524 63.115 63.115 63.885 -0.770 18840 828 1 3 . 1 1 524 524 PRO CB C 524 32.830 32.830 32.138 0.692 18840 829 1 3 . 1 1 525 525 PHE N N 525 116.223 116.223 118.830 -2.607 18840 830 1 3 . 1 1 525 525 PHE HA H 525 5.039 5.039 4.678 0.361 18840 831 1 3 . 1 1 525 525 PHE C C 525 174.437 174.437 174.241 0.196 18840 832 1 3 . 1 1 525 525 PHE CA C 525 56.080 56.080 57.228 -1.148 18840 833 1 3 . 1 1 525 525 PHE CB C 525 39.780 39.780 42.022 -2.242 18840 834 1 3 . 1 1 525 525 PHE H H 525 8.148 8.148 8.025 0.123 18840 835 1 3 . 1 1 526 526 PHE N N 526 125.861 125.861 123.005 2.856 18840 836 1 3 . 1 1 526 526 PHE HA H 526 5.102 5.102 5.447 -0.345 18840 837 1 3 . 1 1 526 526 PHE C C 526 175.221 175.221 173.805 1.416 18840 838 1 3 . 1 1 526 526 PHE CA C 526 56.865 56.865 56.395 0.470 18840 839 1 3 . 1 1 526 526 PHE CB C 526 41.661 41.661 41.927 -0.266 18840 840 1 3 . 1 1 526 526 PHE H H 526 9.522 9.522 8.527 0.995 18840 841 1 3 . 1 1 527 527 CYS N N 527 128.663 128.663 128.075 0.588 18840 842 1 3 . 1 1 527 527 CYS HA H 527 4.931 4.931 5.019 -0.088 18840 843 1 3 . 1 1 527 527 CYS C C 527 174.052 174.052 174.432 -0.380 18840 844 1 3 . 1 1 527 527 CYS CA C 527 58.267 58.267 56.593 1.674 18840 845 1 3 . 1 1 527 527 CYS CB C 527 31.075 31.075 29.482 1.593 18840 846 1 3 . 1 1 527 527 CYS H H 527 7.723 7.723 8.294 -0.571 18840 847 1 3 . 1 1 528 528 ARG N N 528 125.354 125.354 125.983 -0.629 18840 848 1 3 . 1 1 528 528 ARG HA H 528 4.148 4.148 4.602 -0.454 18840 849 1 3 . 1 1 528 528 ARG C C 528 175.406 175.406 176.281 -0.875 18840 850 1 3 . 1 1 528 528 ARG CA C 528 55.971 55.971 55.005 0.966 18840 851 1 3 . 1 1 528 528 ARG CB C 528 31.165 31.165 29.883 1.282 18840 852 1 3 . 1 1 528 528 ARG H H 528 8.866 8.866 8.666 0.200 18840 853 1 3 . 1 1 529 529 ASP N N 529 124.001 124.001 121.325 2.676 18840 854 1 3 . 1 1 529 529 ASP HA H 529 4.203 4.203 4.490 -0.287 18840 855 1 3 . 1 1 529 529 ASP C C 529 178.105 178.105 177.430 0.675 18840 856 1 3 . 1 1 529 529 ASP CA C 529 56.288 56.288 54.400 1.888 18840 857 1 3 . 1 1 529 529 ASP CB C 529 43.574 43.574 42.066 1.508 18840 858 1 3 . 1 1 529 529 ASP H H 529 8.198 8.198 7.430 0.768 18840 859 1 3 . 1 1 530 530 GLN N N 530 125.372 125.372 124.288 1.084 18840 860 1 3 . 1 1 530 530 GLN HA H 530 3.894 3.894 4.067 -0.173 18840 861 1 3 . 1 1 530 530 GLN C C 530 177.471 177.471 176.819 0.652 18840 862 1 3 . 1 1 530 530 GLN CA C 530 59.159 59.159 57.908 1.251 18840 863 1 3 . 1 1 530 530 GLN CB C 530 28.731 28.731 28.549 0.182 18840 864 1 3 . 1 1 530 530 GLN H H 530 8.746 8.746 8.643 0.103 18840 865 1 3 . 1 1 531 531 VAL N N 531 113.137 113.137 118.409 -5.272 18840 866 1 3 . 1 1 531 531 VAL HA H 531 4.282 4.282 3.855 0.427 18840 867 1 3 . 1 1 531 531 VAL C C 531 176.295 176.295 177.386 -1.091 18840 868 1 3 . 1 1 531 531 VAL CA C 531 63.324 63.324 65.262 -1.938 18840 869 1 3 . 1 1 531 531 VAL CB C 531 31.457 31.457 32.129 -0.672 18840 870 1 3 . 1 1 531 531 VAL H H 531 8.659 8.659 9.018 -0.359 18840 871 1 3 . 1 1 532 532 CYS N N 532 121.034 121.034 117.880 3.154 18840 872 1 3 . 1 1 532 532 CYS HA H 532 4.568 4.568 4.783 -0.215 18840 873 1 3 . 1 1 532 532 CYS C C 532 172.994 172.994 175.643 -2.649 18840 874 1 3 . 1 1 532 532 CYS CA C 532 60.437 60.437 60.523 -0.086 18840 875 1 3 . 1 1 532 532 CYS CB C 532 31.856 31.856 28.346 3.510 18840 876 1 3 . 1 1 532 532 CYS H H 532 8.023 8.023 7.428 0.595 18840 877 1 3 . 1 1 533 533 PHE N N 533 129.389 129.389 118.882 10.507 18840 878 1 3 . 1 1 533 533 PHE HA H 533 4.197 4.197 4.155 0.042 18840 879 1 3 . 1 1 533 533 PHE C C 533 174.830 174.830 174.205 0.625 18840 880 1 3 . 1 1 533 533 PHE CA C 533 59.754 59.754 59.240 0.514 18840 881 1 3 . 1 1 533 533 PHE CB C 533 38.260 38.260 37.185 1.075 18840 882 1 3 . 1 1 533 533 PHE H H 533 7.928 7.928 8.385 -0.457 18840 883 1 3 . 1 1 534 534 LYS N N 534 113.676 113.676 116.452 -2.776 18840 884 1 3 . 1 1 534 534 LYS HA H 534 4.466 4.466 4.722 -0.256 18840 885 1 3 . 1 1 534 534 LYS C C 534 173.055 173.055 174.582 -1.527 18840 886 1 3 . 1 1 534 534 LYS CA C 534 54.068 54.068 54.164 -0.096 18840 887 1 3 . 1 1 534 534 LYS CB C 534 37.800 37.800 36.772 1.028 18840 888 1 3 . 1 1 534 534 LYS H H 534 6.430 6.430 7.585 -1.155 18840 889 1 3 . 1 1 535 535 TYR N N 535 117.686 117.686 118.014 -0.328 18840 890 1 3 . 1 1 535 535 TYR HA H 535 5.165 5.165 5.481 -0.316 18840 891 1 3 . 1 1 535 535 TYR C C 535 175.888 175.888 175.648 0.240 18840 892 1 3 . 1 1 535 535 TYR CA C 535 58.593 58.593 57.582 1.011 18840 893 1 3 . 1 1 535 535 TYR CB C 535 40.020 40.020 39.812 0.208 18840 894 1 3 . 1 1 535 535 TYR H H 535 7.145 7.145 8.826 -1.681 18840 895 1 3 . 1 1 536 536 PHE N N 536 117.497 117.497 118.204 -0.707 18840 896 1 3 . 1 1 536 536 PHE HA H 536 6.399 6.399 5.128 1.271 18840 897 1 3 . 1 1 536 536 PHE C C 536 177.127 177.127 175.246 1.881 18840 898 1 3 . 1 1 536 536 PHE CA C 536 57.056 57.056 56.744 0.312 18840 899 1 3 . 1 1 536 536 PHE CB C 536 45.217 45.217 44.048 1.169 18840 900 1 3 . 1 1 536 536 PHE H H 536 9.608 9.608 9.241 0.367 18840 901 1 3 . 1 1 537 537 CYS N N 537 119.624 119.624 119.963 -0.339 18840 902 1 3 . 1 1 537 537 CYS HA H 537 5.499 5.499 5.126 0.373 18840 903 1 3 . 1 1 537 537 CYS C C 537 176.128 176.128 176.191 -0.063 18840 904 1 3 . 1 1 537 537 CYS CA C 537 58.097 58.097 58.035 0.062 18840 905 1 3 . 1 1 537 537 CYS CB C 537 32.306 32.306 29.932 2.374 18840 906 1 3 . 1 1 537 537 CYS H H 537 9.777 9.777 9.066 0.711 18840 907 1 3 . 1 1 538 538 ARG N N 538 120.573 120.573 121.829 -1.256 18840 908 1 3 . 1 1 538 538 ARG HA H 538 3.791 3.791 3.666 0.125 18840 909 1 3 . 1 1 538 538 ARG C C 538 178.403 178.403 177.851 0.552 18840 910 1 3 . 1 1 538 538 ARG CA C 538 60.937 60.937 59.923 1.014 18840 911 1 3 . 1 1 538 538 ARG CB C 538 30.392 30.392 29.288 1.104 18840 912 1 3 . 1 1 538 538 ARG H H 538 9.375 9.375 9.055 0.320 18840 913 1 3 . 1 1 539 539 SER N N 539 114.562 114.562 114.786 -0.224 18840 914 1 3 . 1 1 539 539 SER HA H 539 4.491 4.491 4.375 0.116 18840 915 1 3 . 1 1 539 539 SER C C 539 178.610 178.610 176.344 2.266 18840 916 1 3 . 1 1 539 539 SER CA C 539 62.159 62.159 61.484 0.675 18840 917 1 3 . 1 1 539 539 SER CB C 539 62.934 62.934 63.078 -0.144 18840 918 1 3 . 1 1 539 539 SER H H 539 8.549 8.549 8.591 -0.042 18840 919 1 3 . 1 1 540 540 CYS N N 540 126.990 126.990 121.135 5.855 18840 920 1 3 . 1 1 540 540 CYS HA H 540 4.454 4.454 4.531 -0.077 18840 921 1 3 . 1 1 540 540 CYS C C 540 178.546 178.546 176.975 1.571 18840 922 1 3 . 1 1 540 540 CYS CA C 540 65.024 65.024 61.660 3.364 18840 923 1 3 . 1 1 540 540 CYS CB C 540 30.747 30.747 26.325 4.422 18840 924 1 3 . 1 1 540 540 CYS H H 540 9.534 9.534 8.310 1.224 18840 925 1 3 . 1 1 541 541 TRP N N 541 121.037 121.037 122.123 -1.086 18840 926 1 3 . 1 1 541 541 TRP HA H 541 3.319 3.319 4.124 -0.805 18840 927 1 3 . 1 1 541 541 TRP C C 541 179.671 179.671 177.886 1.785 18840 928 1 3 . 1 1 541 541 TRP CA C 541 62.783 62.783 61.185 1.598 18840 929 1 3 . 1 1 541 541 TRP CB C 541 27.747 27.747 28.906 -1.159 18840 930 1 3 . 1 1 541 541 TRP H H 541 9.632 9.632 8.923 0.709 18840 931 1 3 . 1 1 542 542 HIS N N 542 119.251 119.251 117.441 1.810 18840 932 1 3 . 1 1 542 542 HIS HA H 542 4.330 4.330 4.381 -0.051 18840 933 1 3 . 1 1 542 542 HIS C C 542 177.291 177.291 177.887 -0.596 18840 934 1 3 . 1 1 542 542 HIS CA C 542 59.909 59.909 59.772 0.137 18840 935 1 3 . 1 1 542 542 HIS CB C 542 30.594 30.594 29.413 1.181 18840 936 1 3 . 1 1 542 542 HIS H H 542 8.073 8.073 7.903 0.170 18840 937 1 3 . 1 1 543 543 TRP N N 543 121.212 121.212 121.287 -0.075 18840 938 1 3 . 1 1 543 543 TRP HA H 543 4.231 4.231 4.286 -0.055 18840 939 1 3 . 1 1 543 543 TRP C C 543 178.256 178.256 177.954 0.302 18840 940 1 3 . 1 1 543 543 TRP CA C 543 60.959 60.959 60.858 0.101 18840 941 1 3 . 1 1 543 543 TRP CB C 543 28.593 28.593 29.689 -1.096 18840 942 1 3 . 1 1 543 543 TRP H H 543 8.200 8.200 8.369 -0.169 18840 943 1 3 . 1 1 544 544 ARG N N 544 118.044 118.044 119.102 -1.058 18840 944 1 3 . 1 1 544 544 ARG HA H 544 3.199 3.199 3.568 -0.369 18840 945 1 3 . 1 1 544 544 ARG C C 544 176.093 176.093 178.361 -2.268 18840 946 1 3 . 1 1 544 544 ARG CA C 544 57.149 57.149 57.678 -0.529 18840 947 1 3 . 1 1 544 544 ARG CB C 544 29.942 29.942 29.314 0.628 18840 948 1 3 . 1 1 544 544 ARG H H 544 8.194 8.194 8.012 0.182 18840 949 1 3 . 1 1 545 545 HIS N N 545 109.049 109.049 115.758 -6.709 18840 950 1 3 . 1 1 545 545 HIS HA H 545 3.781 3.781 4.210 -0.429 18840 951 1 3 . 1 1 545 545 HIS C C 545 173.247 173.247 176.267 -3.020 18840 952 1 3 . 1 1 545 545 HIS CA C 545 58.848 58.848 57.228 1.620 18840 953 1 3 . 1 1 545 545 HIS CB C 545 25.314 25.314 28.963 -3.649 18840 954 1 3 . 1 1 545 545 HIS H H 545 7.410 7.410 7.873 -0.463 18840 955 1 3 . 1 1 546 546 SER N N 546 112.353 112.353 114.747 -2.394 18840 956 1 3 . 1 1 546 546 SER HA H 546 4.336 4.336 4.134 0.202 18840 957 1 3 . 1 1 546 546 SER C C 546 174.714 174.714 174.791 -0.077 18840 958 1 3 . 1 1 546 546 SER CA C 546 59.042 59.042 58.981 0.061 18840 959 1 3 . 1 1 546 546 SER CB C 546 63.464 63.464 63.157 0.307 18840 960 1 3 . 1 1 546 546 SER H H 546 6.948 6.948 7.409 -0.461 18840 961 1 3 . 1 1 547 547 MET N N 547 121.366 121.366 121.860 -0.494 18840 962 1 3 . 1 1 547 547 MET HA H 547 4.188 4.188 4.115 0.073 18840 963 1 3 . 1 1 547 547 MET C C 547 175.421 175.421 175.666 -0.245 18840 964 1 3 . 1 1 547 547 MET CA C 547 55.504 55.504 56.048 -0.544 18840 965 1 3 . 1 1 547 547 MET CB C 547 33.318 33.318 32.880 0.438 18840 966 1 3 . 1 1 547 547 MET H H 547 6.821 6.821 7.006 -0.185 18840 967 1 3 . 1 1 548 548 GLU N N 548 122.898 122.898 123.642 -0.744 18840 968 1 3 . 1 1 548 548 GLU HA H 548 3.807 3.807 4.125 -0.318 18840 969 1 3 . 1 1 548 548 GLU C C 548 176.918 176.918 177.352 -0.434 18840 970 1 3 . 1 1 548 548 GLU CA C 548 58.746 58.746 58.276 0.470 18840 971 1 3 . 1 1 548 548 GLU CB C 548 29.505 29.505 29.560 -0.055 18840 972 1 3 . 1 1 548 548 GLU H H 548 8.515 8.515 8.555 -0.040 18840 973 1 3 . 1 1 549 549 GLY N N 549 112.898 112.898 109.847 3.051 18840 974 1 3 . 1 1 549 549 GLY C C 549 174.645 174.645 174.880 -0.235 18840 975 1 3 . 1 1 549 549 GLY CA C 549 45.411 45.411 45.139 0.272 18840 976 1 3 . 1 1 549 549 GLY H H 549 8.950 8.950 8.716 0.234 18840 977 1 3 . 1 1 550 550 LEU N N 550 118.164 118.164 119.273 -1.109 18840 978 1 3 . 1 1 550 550 LEU HA H 550 3.928 3.928 4.394 -0.466 18840 979 1 3 . 1 1 550 550 LEU C C 550 177.030 177.030 177.367 -0.337 18840 980 1 3 . 1 1 550 550 LEU CA C 550 54.291 54.291 53.847 0.444 18840 981 1 3 . 1 1 550 550 LEU CB C 550 42.968 42.968 41.379 1.589 18840 982 1 3 . 1 1 550 550 LEU H H 550 7.702 7.702 7.368 0.334 18840 983 1 3 . 1 1 551 551 ARG N N 551 115.914 115.914 119.608 -3.694 18840 984 1 3 . 1 1 551 551 ARG HA H 551 4.405 4.405 4.117 0.288 18840 985 1 3 . 1 1 551 551 ARG C C 551 177.206 177.206 176.975 0.231 18840 986 1 3 . 1 1 551 551 ARG CA C 551 58.406 58.406 58.220 0.186 18840 987 1 3 . 1 1 551 551 ARG CB C 551 30.360 30.360 29.858 0.502 18840 988 1 3 . 1 1 551 551 ARG H H 551 7.299 7.299 8.274 -0.975 18840 989 1 3 . 1 1 552 552 HIS N N 552 113.766 113.766 114.778 -1.012 18840 990 1 3 . 1 1 552 552 HIS HA H 552 4.692 4.692 4.724 -0.032 18840 991 1 3 . 1 1 552 552 HIS C C 552 175.959 175.959 174.797 1.162 18840 992 1 3 . 1 1 552 552 HIS CA C 552 56.223 56.223 55.006 1.217 18840 993 1 3 . 1 1 552 552 HIS CB C 552 30.228 30.228 29.167 1.061 18840 994 1 3 . 1 1 552 552 HIS H H 552 8.480 8.480 8.165 0.315 18840 995 1 3 . 1 1 553 553 HIS N N 553 122.502 122.502 120.584 1.918 18840 996 1 3 . 1 1 553 553 HIS HA H 553 4.459 4.459 4.429 0.030 18840 997 1 3 . 1 1 553 553 HIS C C 553 174.820 174.820 174.495 0.325 18840 998 1 3 . 1 1 553 553 HIS CA C 553 55.553 55.553 56.057 -0.504 18840 999 1 3 . 1 1 553 553 HIS CB C 553 31.320 31.320 30.434 0.886 18840 1000 1 3 . 1 1 553 553 HIS H H 553 6.954 6.954 7.345 -0.391 18840 1001 1 3 . 1 1 554 554 SER N N 554 117.586 117.586 116.441 1.145 18840 1002 1 3 . 1 1 554 554 SER HA H 554 5.128 5.128 4.905 0.223 18840 1003 1 3 . 1 1 554 554 SER CA C 554 55.199 55.199 54.160 1.039 18840 1004 1 3 . 1 1 554 554 SER CB C 554 64.833 64.833 65.260 -0.427 18840 1005 1 3 . 1 1 554 554 SER H H 554 8.668 8.668 8.312 0.356 18840 1006 1 3 . 1 1 555 555 PRO HA H 555 4.296 4.296 4.976 -0.680 18840 1007 1 3 . 1 1 555 555 PRO C C 555 176.447 176.447 176.927 -0.480 18840 1008 1 3 . 1 1 555 555 PRO CA C 555 63.029 63.029 62.289 0.740 18840 1009 1 3 . 1 1 555 555 PRO CB C 555 31.779 31.779 32.174 -0.395 18840 1010 1 3 . 1 1 556 556 LEU N N 556 123.469 123.469 122.801 0.668 18840 1011 1 3 . 1 1 556 556 LEU HA H 556 4.788 4.788 4.331 0.457 18840 1012 1 3 . 1 1 556 556 LEU C C 556 176.176 176.176 177.908 -1.732 18840 1013 1 3 . 1 1 556 556 LEU CA C 556 54.247 54.247 54.633 -0.386 18840 1014 1 3 . 1 1 556 556 LEU CB C 556 44.237 44.237 42.693 1.544 18840 1015 1 3 . 1 1 556 556 LEU H H 556 8.802 8.802 7.993 0.809 18840 1016 1 3 . 1 1 557 557 MET N N 557 122.362 122.362 120.953 1.409 18840 1017 1 3 . 1 1 557 557 MET HA H 557 4.983 4.983 4.448 0.535 18840 1018 1 3 . 1 1 557 557 MET C C 557 175.983 175.983 176.181 -0.198 18840 1019 1 3 . 1 1 557 557 MET CA C 557 54.641 54.641 55.017 -0.376 18840 1020 1 3 . 1 1 557 557 MET CB C 557 34.181 34.181 31.129 3.052 18840 1021 1 3 . 1 1 557 557 MET H H 557 8.624 8.624 8.227 0.397 18840 1022 1 3 . 1 1 558 558 ARG N N 558 123.450 123.450 125.417 -1.967 18840 1023 1 3 . 1 1 558 558 ARG HA H 558 4.302 4.302 4.442 -0.140 18840 1024 1 3 . 1 1 558 558 ARG CA C 558 56.545 56.545 55.565 0.980 18840 1025 1 3 . 1 1 558 558 ARG CB C 558 31.139 31.139 30.948 0.191 18840 1026 1 3 . 1 1 558 558 ARG H H 558 8.901 8.901 8.553 0.348 18840 1027 1 3 . 1 1 559 559 ASN HA H 559 4.642 4.642 4.686 -0.044 18840 1028 1 3 . 1 1 559 559 ASN CA C 559 53.286 53.286 52.343 0.943 18840 1029 1 3 . 1 1 559 559 ASN CB C 559 38.877 38.877 39.894 -1.017 18840 1030 1 3 . 1 1 560 560 GLN N N 560 121.173 121.173 118.042 3.131 18840 1031 1 3 . 1 1 560 560 GLN HA H 560 4.308 4.308 4.575 -0.267 18840 1032 1 3 . 1 1 560 560 GLN C C 560 175.883 175.883 175.791 0.092 18840 1033 1 3 . 1 1 560 560 GLN CA C 560 56.023 56.023 55.031 0.992 18840 1034 1 3 . 1 1 560 560 GLN CB C 560 29.702 29.702 30.542 -0.840 18840 1035 1 3 . 1 1 560 560 GLN H H 560 8.284 8.284 8.357 -0.073 18840 1036 1 3 . 1 1 561 561 LYS N N 561 122.223 122.223 123.223 -1.000 18840 1037 1 3 . 1 1 561 561 LYS HA H 561 4.267 4.267 4.177 0.090 18840 1038 1 3 . 1 1 561 561 LYS C C 561 176.349 176.349 176.344 0.005 18840 1039 1 3 . 1 1 561 561 LYS CA C 561 56.659 56.659 55.816 0.843 18840 1040 1 3 . 1 1 561 561 LYS CB C 561 32.966 32.966 32.656 0.310 18840 1041 1 3 . 1 1 561 561 LYS H H 561 8.350 8.350 8.492 -0.142 18840 1042 1 3 . 1 1 562 562 ASN N N 562 119.683 119.683 122.547 -2.864 18840 1043 1 3 . 1 1 562 562 ASN HA H 562 4.681 4.681 4.607 0.074 18840 1044 1 3 . 1 1 562 562 ASN C C 562 175.298 175.298 175.254 0.044 18840 1045 1 3 . 1 1 562 562 ASN CA C 562 53.375 53.375 53.563 -0.188 18840 1046 1 3 . 1 1 562 562 ASN CB C 562 38.920 38.920 39.141 -0.221 18840 1047 1 3 . 1 1 562 562 ASN H H 562 8.440 8.440 8.566 -0.126 18840 1048 1 3 . 1 1 563 563 ARG N N 563 121.405 121.405 120.985 0.420 18840 1049 1 3 . 1 1 563 563 ARG HA H 563 4.315 4.315 4.645 -0.330 18840 1050 1 3 . 1 1 563 563 ARG C C 563 176.088 176.088 174.826 1.262 18840 1051 1 3 . 1 1 563 563 ARG CA C 563 56.489 56.489 55.774 0.715 18840 1052 1 3 . 1 1 563 563 ARG CB C 563 30.775 30.775 31.904 -1.129 18840 1053 1 3 . 1 1 563 563 ARG H H 563 8.333 8.333 8.365 -0.032 18840 1054 1 3 . 1 1 564 564 ASP N N 564 121.203 121.203 122.081 -0.878 18840 1055 1 3 . 1 1 564 564 ASP HA H 564 4.667 4.667 4.816 -0.149 18840 1056 1 3 . 1 1 564 564 ASP C C 564 176.148 176.148 175.974 0.174 18840 1057 1 3 . 1 1 564 564 ASP CA C 564 54.597 54.597 54.081 0.516 18840 1058 1 3 . 1 1 564 564 ASP CB C 564 41.249 41.249 41.924 -0.675 18840 1059 1 3 . 1 1 564 564 ASP H H 564 8.387 8.387 8.211 0.176 18840 1060 1 3 . 1 1 565 565 SER N N 565 116.058 116.058 117.474 -1.416 18840 1061 1 3 . 1 1 565 565 SER HA H 565 4.528 4.528 4.676 -0.148 18840 1062 1 3 . 1 1 565 565 SER C C 565 173.755 173.755 174.097 -0.342 18840 1063 1 3 . 1 1 565 565 SER CA C 565 58.266 58.266 58.699 -0.433 18840 1064 1 3 . 1 1 565 565 SER CB C 565 64.077 64.077 63.598 0.479 18840 1065 1 3 . 1 1 565 565 SER H H 565 8.186 8.186 8.741 -0.555 18840 1066 1 4 . 1 1 503 503 PRO HA H 503 4.533 4.533 5.062 -0.529 18840 1067 1 4 . 1 1 503 503 PRO C C 503 176.777 176.777 175.898 0.879 18840 1068 1 4 . 1 1 503 503 PRO CA C 503 62.962 62.962 62.742 0.220 18840 1069 1 4 . 1 1 503 503 PRO CB C 503 32.403 32.403 33.459 -1.056 18840 1070 1 4 . 1 1 504 504 VAL N N 504 120.734 120.734 117.647 3.087 18840 1071 1 4 . 1 1 504 504 VAL HA H 504 4.102 4.102 4.384 -0.282 18840 1072 1 4 . 1 1 504 504 VAL C C 504 175.887 175.887 174.757 1.130 18840 1073 1 4 . 1 1 504 504 VAL CA C 504 62.483 62.483 61.001 1.482 18840 1074 1 4 . 1 1 504 504 VAL CB C 504 32.864 32.864 33.738 -0.874 18840 1075 1 4 . 1 1 504 504 VAL H H 504 8.290 8.290 8.003 0.287 18840 1076 1 4 . 1 1 505 505 GLN N N 505 125.069 125.069 122.199 2.870 18840 1077 1 4 . 1 1 505 505 GLN HA H 505 4.430 4.430 4.524 -0.094 18840 1078 1 4 . 1 1 505 505 GLN C C 505 175.207 175.207 175.458 -0.251 18840 1079 1 4 . 1 1 505 505 GLN CA C 505 55.476 55.476 55.808 -0.332 18840 1080 1 4 . 1 1 505 505 GLN CB C 505 29.918 29.918 29.482 0.436 18840 1081 1 4 . 1 1 505 505 GLN H H 505 8.450 8.450 8.254 0.196 18840 1082 1 4 . 1 1 506 506 ILE N N 506 123.121 123.121 117.345 5.776 18840 1083 1 4 . 1 1 506 506 ILE HA H 506 4.303 4.303 4.443 -0.140 18840 1084 1 4 . 1 1 506 506 ILE C C 506 175.607 175.607 174.947 0.660 18840 1085 1 4 . 1 1 506 506 ILE CA C 506 60.346 60.346 60.696 -0.350 18840 1086 1 4 . 1 1 506 506 ILE CB C 506 39.046 39.046 38.880 0.166 18840 1087 1 4 . 1 1 506 506 ILE H H 506 8.259 8.259 7.980 0.279 18840 1088 1 4 . 1 1 507 507 ASP N N 507 126.258 126.258 122.333 3.925 18840 1089 1 4 . 1 1 507 507 ASP HA H 507 4.909 4.909 4.670 0.239 18840 1090 1 4 . 1 1 507 507 ASP CA C 507 51.929 51.929 51.523 0.406 18840 1091 1 4 . 1 1 507 507 ASP CB C 507 41.712 41.712 42.806 -1.094 18840 1092 1 4 . 1 1 507 507 ASP H H 507 8.419 8.419 8.191 0.228 18840 1093 1 4 . 1 1 508 508 PRO HA H 508 4.304 4.304 4.369 -0.065 18840 1094 1 4 . 1 1 508 508 PRO C C 508 176.539 176.539 175.833 0.706 18840 1095 1 4 . 1 1 508 508 PRO CA C 508 63.271 63.271 62.491 0.780 18840 1096 1 4 . 1 1 508 508 PRO CB C 508 32.117 32.117 32.594 -0.477 18840 1097 1 4 . 1 1 509 509 TYR N N 509 119.278 119.278 120.092 -0.814 18840 1098 1 4 . 1 1 509 509 TYR HA H 509 4.486 4.486 4.478 0.008 18840 1099 1 4 . 1 1 509 509 TYR C C 509 175.814 175.814 175.859 -0.045 18840 1100 1 4 . 1 1 509 509 TYR CA C 509 57.945 57.945 59.505 -1.560 18840 1101 1 4 . 1 1 509 509 TYR CB C 509 37.723 37.723 40.363 -2.640 18840 1102 1 4 . 1 1 509 509 TYR H H 509 8.218 8.218 9.094 -0.876 18840 1103 1 4 . 1 1 510 510 LEU N N 510 122.827 122.827 111.176 11.651 18840 1104 1 4 . 1 1 510 510 LEU HA H 510 4.254 4.254 4.734 -0.480 18840 1105 1 4 . 1 1 510 510 LEU C C 510 176.689 176.689 176.777 -0.088 18840 1106 1 4 . 1 1 510 510 LEU CA C 510 54.934 54.934 54.514 0.420 18840 1107 1 4 . 1 1 510 510 LEU CB C 510 42.647 42.647 42.621 0.026 18840 1108 1 4 . 1 1 510 510 LEU H H 510 7.655 7.655 7.416 0.239 18840 1109 1 4 . 1 1 511 511 GLU N N 511 120.110 120.110 119.693 0.417 18840 1110 1 4 . 1 1 511 511 GLU HA H 511 4.234 4.234 4.403 -0.169 18840 1111 1 4 . 1 1 511 511 GLU CA C 511 55.912 55.912 57.340 -1.428 18840 1112 1 4 . 1 1 511 511 GLU CB C 511 31.398 31.398 30.129 1.269 18840 1113 1 4 . 1 1 511 511 GLU H H 511 8.223 8.223 8.718 -0.495 18840 1114 1 4 . 1 1 512 512 ASP N N 512 120.430 120.430 118.515 1.915 18840 1115 1 4 . 1 1 512 512 ASP HA H 512 4.439 4.439 4.784 -0.345 18840 1116 1 4 . 1 1 512 512 ASP C C 512 175.742 175.742 174.148 1.594 18840 1117 1 4 . 1 1 512 512 ASP CA C 512 54.405 54.405 53.741 0.664 18840 1118 1 4 . 1 1 512 512 ASP CB C 512 40.977 40.977 41.369 -0.392 18840 1119 1 4 . 1 1 512 512 ASP H H 512 8.258 8.258 7.984 0.274 18840 1120 1 4 . 1 1 513 513 SER N N 513 116.712 116.712 116.501 0.211 18840 1121 1 4 . 1 1 513 513 SER HA H 513 4.282 4.282 4.309 -0.027 18840 1122 1 4 . 1 1 513 513 SER C C 513 174.628 174.628 173.615 1.013 18840 1123 1 4 . 1 1 513 513 SER CA C 513 57.783 57.783 57.055 0.728 18840 1124 1 4 . 1 1 513 513 SER CB C 513 64.481 64.481 64.059 0.422 18840 1125 1 4 . 1 1 513 513 SER H H 513 8.004 8.004 7.069 0.935 18840 1126 1 4 . 1 1 514 514 LEU N N 514 124.291 124.291 123.158 1.133 18840 1127 1 4 . 1 1 514 514 LEU HA H 514 4.360 4.360 4.248 0.112 18840 1128 1 4 . 1 1 514 514 LEU C C 514 176.422 176.422 175.928 0.494 18840 1129 1 4 . 1 1 514 514 LEU CA C 514 54.896 54.896 54.912 -0.016 18840 1130 1 4 . 1 1 514 514 LEU CB C 514 43.711 43.711 43.306 0.405 18840 1131 1 4 . 1 1 514 514 LEU H H 514 8.248 8.248 8.104 0.144 18840 1132 1 4 . 1 1 515 515 CYS N N 515 121.802 121.802 125.887 -4.085 18840 1133 1 4 . 1 1 515 515 CYS HA H 515 3.818 3.818 4.511 -0.693 18840 1134 1 4 . 1 1 515 515 CYS C C 515 177.418 177.418 176.061 1.357 18840 1135 1 4 . 1 1 515 515 CYS CA C 515 60.542 60.542 58.919 1.623 18840 1136 1 4 . 1 1 515 515 CYS CB C 515 31.859 31.859 27.202 4.657 18840 1137 1 4 . 1 1 515 515 CYS H H 515 8.418 8.418 8.322 0.096 18840 1138 1 4 . 1 1 516 516 HIS N N 516 129.671 129.671 127.596 2.075 18840 1139 1 4 . 1 1 516 516 HIS HA H 516 4.497 4.497 4.270 0.227 18840 1140 1 4 . 1 1 516 516 HIS C C 516 175.845 175.845 175.266 0.579 18840 1141 1 4 . 1 1 516 516 HIS CA C 516 58.672 58.672 58.428 0.244 18840 1142 1 4 . 1 1 516 516 HIS CB C 516 31.910 31.910 30.250 1.659 18840 1143 1 4 . 1 1 516 516 HIS H H 516 9.149 9.149 8.215 0.934 18840 1144 1 4 . 1 1 517 517 ILE N N 517 121.766 121.766 116.756 5.010 18840 1145 1 4 . 1 1 517 517 ILE HA H 517 4.170 4.170 3.827 0.343 18840 1146 1 4 . 1 1 517 517 ILE C C 517 177.448 177.448 177.212 0.236 18840 1147 1 4 . 1 1 517 517 ILE CA C 517 61.900 61.900 62.180 -0.280 18840 1148 1 4 . 1 1 517 517 ILE CB C 517 35.256 35.256 37.933 -2.677 18840 1149 1 4 . 1 1 517 517 ILE H H 517 9.347 9.347 7.659 1.688 18840 1150 1 4 . 1 1 518 518 CYS N N 518 118.774 118.774 114.911 3.863 18840 1151 1 4 . 1 1 518 518 CYS HA H 518 4.772 4.772 4.337 0.435 18840 1152 1 4 . 1 1 518 518 CYS C C 518 176.883 176.883 176.118 0.765 18840 1153 1 4 . 1 1 518 518 CYS CA C 518 59.309 59.309 58.559 0.750 18840 1154 1 4 . 1 1 518 518 CYS CB C 518 31.994 31.994 27.767 4.227 18840 1155 1 4 . 1 1 518 518 CYS H H 518 8.564 8.564 8.068 0.496 18840 1156 1 4 . 1 1 519 519 SER N N 519 116.362 116.362 114.936 1.426 18840 1157 1 4 . 1 1 519 519 SER HA H 519 4.403 4.403 4.214 0.189 18840 1158 1 4 . 1 1 519 519 SER C C 519 174.258 174.258 173.949 0.309 18840 1159 1 4 . 1 1 519 519 SER CA C 519 60.236 60.236 59.469 0.767 18840 1160 1 4 . 1 1 519 519 SER CB C 519 62.727 62.727 61.677 1.050 18840 1161 1 4 . 1 1 519 519 SER H H 519 7.619 7.619 8.531 -0.912 18840 1162 1 4 . 1 1 520 520 SER N N 520 113.506 113.506 114.007 -0.501 18840 1163 1 4 . 1 1 520 520 SER HA H 520 4.832 4.832 4.545 0.287 18840 1164 1 4 . 1 1 520 520 SER C C 520 172.953 172.953 173.047 -0.094 18840 1165 1 4 . 1 1 520 520 SER CA C 520 58.849 58.849 59.034 -0.185 18840 1166 1 4 . 1 1 520 520 SER CB C 520 65.701 65.701 64.392 1.309 18840 1167 1 4 . 1 1 520 520 SER H H 520 8.328 8.328 8.116 0.212 18840 1168 1 4 . 1 1 521 521 GLN N N 521 118.652 118.652 117.593 1.059 18840 1169 1 4 . 1 1 521 521 GLN HA H 521 4.932 4.932 4.760 0.172 18840 1170 1 4 . 1 1 521 521 GLN CA C 521 52.845 52.845 53.578 -0.733 18840 1171 1 4 . 1 1 521 521 GLN CB C 521 30.606 30.606 29.114 1.492 18840 1172 1 4 . 1 1 521 521 GLN H H 521 7.416 7.416 7.719 -0.303 18840 1173 1 4 . 1 1 522 522 PRO HA H 522 4.415 4.415 4.780 -0.365 18840 1174 1 4 . 1 1 522 522 PRO C C 522 175.086 175.086 177.036 -1.950 18840 1175 1 4 . 1 1 522 522 PRO CA C 522 63.782 63.782 62.555 1.227 18840 1176 1 4 . 1 1 522 522 PRO CB C 522 32.536 32.536 32.522 0.014 18840 1177 1 4 . 1 1 523 523 GLY N N 523 110.217 110.217 108.942 1.275 18840 1178 1 4 . 1 1 523 523 GLY CA C 523 46.095 46.095 42.778 3.317 18840 1179 1 4 . 1 1 523 523 GLY H H 523 8.909 8.909 8.163 0.746 18840 1180 1 4 . 1 1 524 524 PRO HA H 524 4.457 4.457 4.240 0.217 18840 1181 1 4 . 1 1 524 524 PRO C C 524 176.040 176.040 176.044 -0.004 18840 1182 1 4 . 1 1 524 524 PRO CA C 524 63.115 63.115 63.769 -0.654 18840 1183 1 4 . 1 1 524 524 PRO CB C 524 32.830 32.830 31.937 0.893 18840 1184 1 4 . 1 1 525 525 PHE N N 525 116.223 116.223 117.707 -1.484 18840 1185 1 4 . 1 1 525 525 PHE HA H 525 5.039 5.039 5.148 -0.109 18840 1186 1 4 . 1 1 525 525 PHE C C 525 174.437 174.437 174.489 -0.052 18840 1187 1 4 . 1 1 525 525 PHE CA C 525 56.080 56.080 55.584 0.496 18840 1188 1 4 . 1 1 525 525 PHE CB C 525 39.780 39.780 40.777 -0.997 18840 1189 1 4 . 1 1 525 525 PHE H H 525 8.148 8.148 7.372 0.776 18840 1190 1 4 . 1 1 526 526 PHE N N 526 125.861 125.861 124.314 1.547 18840 1191 1 4 . 1 1 526 526 PHE HA H 526 5.102 5.102 5.366 -0.264 18840 1192 1 4 . 1 1 526 526 PHE C C 526 175.221 175.221 173.959 1.262 18840 1193 1 4 . 1 1 526 526 PHE CA C 526 56.865 56.865 55.984 0.881 18840 1194 1 4 . 1 1 526 526 PHE CB C 526 41.661 41.661 42.416 -0.755 18840 1195 1 4 . 1 1 526 526 PHE H H 526 9.522 9.522 8.385 1.137 18840 1196 1 4 . 1 1 527 527 CYS N N 527 128.663 128.663 128.396 0.267 18840 1197 1 4 . 1 1 527 527 CYS HA H 527 4.931 4.931 5.113 -0.182 18840 1198 1 4 . 1 1 527 527 CYS C C 527 174.052 174.052 174.415 -0.363 18840 1199 1 4 . 1 1 527 527 CYS CA C 527 58.267 58.267 56.542 1.724 18840 1200 1 4 . 1 1 527 527 CYS CB C 527 31.075 31.075 29.552 1.523 18840 1201 1 4 . 1 1 527 527 CYS H H 527 7.723 7.723 8.433 -0.710 18840 1202 1 4 . 1 1 528 528 ARG N N 528 125.354 125.354 125.809 -0.455 18840 1203 1 4 . 1 1 528 528 ARG HA H 528 4.148 4.148 4.503 -0.355 18840 1204 1 4 . 1 1 528 528 ARG C C 528 175.406 175.406 176.222 -0.816 18840 1205 1 4 . 1 1 528 528 ARG CA C 528 55.971 55.971 54.534 1.437 18840 1206 1 4 . 1 1 528 528 ARG CB C 528 31.165 31.165 29.721 1.444 18840 1207 1 4 . 1 1 528 528 ARG H H 528 8.866 8.866 8.757 0.109 18840 1208 1 4 . 1 1 529 529 ASP N N 529 124.001 124.001 120.959 3.042 18840 1209 1 4 . 1 1 529 529 ASP HA H 529 4.203 4.203 4.462 -0.259 18840 1210 1 4 . 1 1 529 529 ASP C C 529 178.105 178.105 176.986 1.119 18840 1211 1 4 . 1 1 529 529 ASP CA C 529 56.288 56.288 54.098 2.190 18840 1212 1 4 . 1 1 529 529 ASP CB C 529 43.574 43.574 42.266 1.308 18840 1213 1 4 . 1 1 529 529 ASP H H 529 8.198 8.198 7.354 0.844 18840 1214 1 4 . 1 1 530 530 GLN N N 530 125.372 125.372 121.655 3.717 18840 1215 1 4 . 1 1 530 530 GLN HA H 530 3.894 3.894 4.025 -0.131 18840 1216 1 4 . 1 1 530 530 GLN C C 530 177.471 177.471 176.847 0.624 18840 1217 1 4 . 1 1 530 530 GLN CA C 530 59.159 59.159 57.864 1.296 18840 1218 1 4 . 1 1 530 530 GLN CB C 530 28.731 28.731 28.761 -0.030 18840 1219 1 4 . 1 1 530 530 GLN H H 530 8.746 8.746 8.529 0.217 18840 1220 1 4 . 1 1 531 531 VAL N N 531 113.137 113.137 118.105 -4.968 18840 1221 1 4 . 1 1 531 531 VAL HA H 531 4.282 4.282 3.862 0.420 18840 1222 1 4 . 1 1 531 531 VAL C C 531 176.295 176.295 176.847 -0.552 18840 1223 1 4 . 1 1 531 531 VAL CA C 531 63.324 63.324 65.675 -2.351 18840 1224 1 4 . 1 1 531 531 VAL CB C 531 31.457 31.457 32.016 -0.559 18840 1225 1 4 . 1 1 531 531 VAL H H 531 8.659 8.659 8.631 0.028 18840 1226 1 4 . 1 1 532 532 CYS N N 532 121.034 121.034 116.461 4.573 18840 1227 1 4 . 1 1 532 532 CYS HA H 532 4.568 4.568 4.756 -0.188 18840 1228 1 4 . 1 1 532 532 CYS C C 532 172.994 172.994 175.354 -2.360 18840 1229 1 4 . 1 1 532 532 CYS CA C 532 60.437 60.437 60.434 0.003 18840 1230 1 4 . 1 1 532 532 CYS CB C 532 31.856 31.856 28.669 3.187 18840 1231 1 4 . 1 1 532 532 CYS H H 532 8.023 8.023 7.339 0.684 18840 1232 1 4 . 1 1 533 533 PHE N N 533 129.389 129.389 118.728 10.661 18840 1233 1 4 . 1 1 533 533 PHE HA H 533 4.197 4.197 4.222 -0.025 18840 1234 1 4 . 1 1 533 533 PHE C C 533 174.830 174.830 173.764 1.066 18840 1235 1 4 . 1 1 533 533 PHE CA C 533 59.754 59.754 58.977 0.777 18840 1236 1 4 . 1 1 533 533 PHE CB C 533 38.260 38.260 37.220 1.040 18840 1237 1 4 . 1 1 533 533 PHE H H 533 7.928 7.928 8.296 -0.368 18840 1238 1 4 . 1 1 534 534 LYS N N 534 113.676 113.676 115.717 -2.041 18840 1239 1 4 . 1 1 534 534 LYS HA H 534 4.466 4.466 4.887 -0.421 18840 1240 1 4 . 1 1 534 534 LYS C C 534 173.055 173.055 174.466 -1.411 18840 1241 1 4 . 1 1 534 534 LYS CA C 534 54.068 54.068 54.015 0.053 18840 1242 1 4 . 1 1 534 534 LYS CB C 534 37.800 37.800 36.387 1.413 18840 1243 1 4 . 1 1 534 534 LYS H H 534 6.430 6.430 7.544 -1.114 18840 1244 1 4 . 1 1 535 535 TYR N N 535 117.686 117.686 117.598 0.088 18840 1245 1 4 . 1 1 535 535 TYR HA H 535 5.165 5.165 5.518 -0.353 18840 1246 1 4 . 1 1 535 535 TYR C C 535 175.888 175.888 175.386 0.502 18840 1247 1 4 . 1 1 535 535 TYR CA C 535 58.593 58.593 56.716 1.877 18840 1248 1 4 . 1 1 535 535 TYR CB C 535 40.020 40.020 39.967 0.054 18840 1249 1 4 . 1 1 535 535 TYR H H 535 7.145 7.145 8.874 -1.729 18840 1250 1 4 . 1 1 536 536 PHE N N 536 117.497 117.497 116.932 0.565 18840 1251 1 4 . 1 1 536 536 PHE HA H 536 6.399 6.399 5.173 1.226 18840 1252 1 4 . 1 1 536 536 PHE C C 536 177.127 177.127 175.384 1.743 18840 1253 1 4 . 1 1 536 536 PHE CA C 536 57.056 57.056 56.991 0.065 18840 1254 1 4 . 1 1 536 536 PHE CB C 536 45.217 45.217 43.909 1.308 18840 1255 1 4 . 1 1 536 536 PHE H H 536 9.608 9.608 8.991 0.617 18840 1256 1 4 . 1 1 537 537 CYS N N 537 119.624 119.624 120.889 -1.265 18840 1257 1 4 . 1 1 537 537 CYS HA H 537 5.499 5.499 4.876 0.623 18840 1258 1 4 . 1 1 537 537 CYS C C 537 176.128 176.128 176.774 -0.646 18840 1259 1 4 . 1 1 537 537 CYS CA C 537 58.097 58.097 59.510 -1.413 18840 1260 1 4 . 1 1 537 537 CYS CB C 537 32.306 32.306 29.684 2.622 18840 1261 1 4 . 1 1 537 537 CYS H H 537 9.777 9.777 9.158 0.619 18840 1262 1 4 . 1 1 538 538 ARG N N 538 120.573 120.573 121.855 -1.282 18840 1263 1 4 . 1 1 538 538 ARG HA H 538 3.791 3.791 4.285 -0.494 18840 1264 1 4 . 1 1 538 538 ARG C C 538 178.403 178.403 178.368 0.035 18840 1265 1 4 . 1 1 538 538 ARG CA C 538 60.937 60.937 60.754 0.183 18840 1266 1 4 . 1 1 538 538 ARG CB C 538 30.392 30.392 30.155 0.237 18840 1267 1 4 . 1 1 538 538 ARG H H 538 9.375 9.375 9.031 0.344 18840 1268 1 4 . 1 1 539 539 SER N N 539 114.562 114.562 113.750 0.812 18840 1269 1 4 . 1 1 539 539 SER HA H 539 4.491 4.491 4.383 0.108 18840 1270 1 4 . 1 1 539 539 SER C C 539 178.610 178.610 176.534 2.076 18840 1271 1 4 . 1 1 539 539 SER CA C 539 62.159 62.159 61.688 0.471 18840 1272 1 4 . 1 1 539 539 SER CB C 539 62.934 62.934 63.057 -0.123 18840 1273 1 4 . 1 1 539 539 SER H H 539 8.549 8.549 8.892 -0.343 18840 1274 1 4 . 1 1 540 540 CYS N N 540 126.990 126.990 121.225 5.765 18840 1275 1 4 . 1 1 540 540 CYS HA H 540 4.454 4.454 4.593 -0.139 18840 1276 1 4 . 1 1 540 540 CYS C C 540 178.546 178.546 176.992 1.554 18840 1277 1 4 . 1 1 540 540 CYS CA C 540 65.024 65.024 61.798 3.226 18840 1278 1 4 . 1 1 540 540 CYS CB C 540 30.747 30.747 26.452 4.295 18840 1279 1 4 . 1 1 540 540 CYS H H 540 9.534 9.534 8.422 1.112 18840 1280 1 4 . 1 1 541 541 TRP N N 541 121.037 121.037 122.309 -1.272 18840 1281 1 4 . 1 1 541 541 TRP HA H 541 3.319 3.319 4.227 -0.908 18840 1282 1 4 . 1 1 541 541 TRP C C 541 179.671 179.671 177.852 1.819 18840 1283 1 4 . 1 1 541 541 TRP CA C 541 62.783 62.783 61.117 1.666 18840 1284 1 4 . 1 1 541 541 TRP CB C 541 27.747 27.747 29.112 -1.365 18840 1285 1 4 . 1 1 541 541 TRP H H 541 9.632 9.632 9.054 0.578 18840 1286 1 4 . 1 1 542 542 HIS N N 542 119.251 119.251 120.673 -1.422 18840 1287 1 4 . 1 1 542 542 HIS HA H 542 4.330 4.330 4.294 0.036 18840 1288 1 4 . 1 1 542 542 HIS C C 542 177.291 177.291 177.279 0.012 18840 1289 1 4 . 1 1 542 542 HIS CA C 542 59.909 59.909 61.099 -1.190 18840 1290 1 4 . 1 1 542 542 HIS CB C 542 30.594 30.594 30.029 0.565 18840 1291 1 4 . 1 1 542 542 HIS H H 542 8.073 8.073 8.382 -0.309 18840 1292 1 4 . 1 1 543 543 TRP N N 543 121.212 121.212 120.215 0.997 18840 1293 1 4 . 1 1 543 543 TRP HA H 543 4.231 4.231 4.158 0.073 18840 1294 1 4 . 1 1 543 543 TRP C C 543 178.256 178.256 178.108 0.148 18840 1295 1 4 . 1 1 543 543 TRP CA C 543 60.959 60.959 61.075 -0.116 18840 1296 1 4 . 1 1 543 543 TRP CB C 543 28.593 28.593 29.684 -1.091 18840 1297 1 4 . 1 1 543 543 TRP H H 543 8.200 8.200 8.341 -0.141 18840 1298 1 4 . 1 1 544 544 ARG N N 544 118.044 118.044 118.983 -0.939 18840 1299 1 4 . 1 1 544 544 ARG HA H 544 3.199 3.199 3.764 -0.565 18840 1300 1 4 . 1 1 544 544 ARG C C 544 176.093 176.093 178.314 -2.221 18840 1301 1 4 . 1 1 544 544 ARG CA C 544 57.149 57.149 57.761 -0.612 18840 1302 1 4 . 1 1 544 544 ARG CB C 544 29.942 29.942 29.215 0.727 18840 1303 1 4 . 1 1 544 544 ARG H H 544 8.194 8.194 7.992 0.202 18840 1304 1 4 . 1 1 545 545 HIS N N 545 109.049 109.049 116.202 -7.153 18840 1305 1 4 . 1 1 545 545 HIS HA H 545 3.781 3.781 4.211 -0.430 18840 1306 1 4 . 1 1 545 545 HIS C C 545 173.247 173.247 176.073 -2.826 18840 1307 1 4 . 1 1 545 545 HIS CA C 545 58.848 58.848 57.261 1.587 18840 1308 1 4 . 1 1 545 545 HIS CB C 545 25.314 25.314 29.032 -3.718 18840 1309 1 4 . 1 1 545 545 HIS H H 545 7.410 7.410 7.863 -0.453 18840 1310 1 4 . 1 1 546 546 SER N N 546 112.353 112.353 114.890 -2.537 18840 1311 1 4 . 1 1 546 546 SER HA H 546 4.336 4.336 3.993 0.343 18840 1312 1 4 . 1 1 546 546 SER C C 546 174.714 174.714 174.783 -0.069 18840 1313 1 4 . 1 1 546 546 SER CA C 546 59.042 59.042 59.111 -0.069 18840 1314 1 4 . 1 1 546 546 SER CB C 546 63.464 63.464 62.956 0.508 18840 1315 1 4 . 1 1 546 546 SER H H 546 6.948 6.948 7.332 -0.384 18840 1316 1 4 . 1 1 547 547 MET N N 547 121.366 121.366 121.565 -0.199 18840 1317 1 4 . 1 1 547 547 MET HA H 547 4.188 4.188 4.153 0.035 18840 1318 1 4 . 1 1 547 547 MET C C 547 175.421 175.421 175.658 -0.237 18840 1319 1 4 . 1 1 547 547 MET CA C 547 55.504 55.504 56.139 -0.635 18840 1320 1 4 . 1 1 547 547 MET CB C 547 33.318 33.318 32.904 0.414 18840 1321 1 4 . 1 1 547 547 MET H H 547 6.821 6.821 6.903 -0.082 18840 1322 1 4 . 1 1 548 548 GLU N N 548 122.898 122.898 124.489 -1.591 18840 1323 1 4 . 1 1 548 548 GLU HA H 548 3.807 3.807 4.062 -0.255 18840 1324 1 4 . 1 1 548 548 GLU C C 548 176.918 176.918 177.591 -0.673 18840 1325 1 4 . 1 1 548 548 GLU CA C 548 58.746 58.746 58.069 0.677 18840 1326 1 4 . 1 1 548 548 GLU CB C 548 29.505 29.505 29.691 -0.186 18840 1327 1 4 . 1 1 548 548 GLU H H 548 8.515 8.515 8.398 0.117 18840 1328 1 4 . 1 1 549 549 GLY N N 549 112.898 112.898 109.610 3.288 18840 1329 1 4 . 1 1 549 549 GLY C C 549 174.645 174.645 174.814 -0.169 18840 1330 1 4 . 1 1 549 549 GLY CA C 549 45.411 45.411 45.234 0.176 18840 1331 1 4 . 1 1 549 549 GLY H H 549 8.950 8.950 8.750 0.200 18840 1332 1 4 . 1 1 550 550 LEU N N 550 118.164 118.164 119.874 -1.710 18840 1333 1 4 . 1 1 550 550 LEU HA H 550 3.928 3.928 4.270 -0.342 18840 1334 1 4 . 1 1 550 550 LEU C C 550 177.030 177.030 177.432 -0.402 18840 1335 1 4 . 1 1 550 550 LEU CA C 550 54.291 54.291 53.686 0.605 18840 1336 1 4 . 1 1 550 550 LEU CB C 550 42.968 42.968 41.373 1.595 18840 1337 1 4 . 1 1 550 550 LEU H H 550 7.702 7.702 7.265 0.437 18840 1338 1 4 . 1 1 551 551 ARG N N 551 115.914 115.914 117.638 -1.724 18840 1339 1 4 . 1 1 551 551 ARG HA H 551 4.405 4.405 4.068 0.337 18840 1340 1 4 . 1 1 551 551 ARG C C 551 177.206 177.206 176.179 1.027 18840 1341 1 4 . 1 1 551 551 ARG CA C 551 58.406 58.406 57.874 0.531 18840 1342 1 4 . 1 1 551 551 ARG CB C 551 30.360 30.360 29.338 1.022 18840 1343 1 4 . 1 1 551 551 ARG H H 551 7.299 7.299 8.295 -0.996 18840 1344 1 4 . 1 1 552 552 HIS N N 552 113.766 113.766 115.129 -1.363 18840 1345 1 4 . 1 1 552 552 HIS HA H 552 4.692 4.692 4.701 -0.009 18840 1346 1 4 . 1 1 552 552 HIS C C 552 175.959 175.959 175.101 0.858 18840 1347 1 4 . 1 1 552 552 HIS CA C 552 56.223 56.223 55.604 0.619 18840 1348 1 4 . 1 1 552 552 HIS CB C 552 30.228 30.228 29.512 0.716 18840 1349 1 4 . 1 1 552 552 HIS H H 552 8.480 8.480 8.188 0.292 18840 1350 1 4 . 1 1 553 553 HIS N N 553 122.502 122.502 120.201 2.301 18840 1351 1 4 . 1 1 553 553 HIS HA H 553 4.459 4.459 4.386 0.073 18840 1352 1 4 . 1 1 553 553 HIS C C 553 174.820 174.820 174.888 -0.068 18840 1353 1 4 . 1 1 553 553 HIS CA C 553 55.553 55.553 56.303 -0.750 18840 1354 1 4 . 1 1 553 553 HIS CB C 553 31.320 31.320 30.624 0.696 18840 1355 1 4 . 1 1 553 553 HIS H H 553 6.954 6.954 7.350 -0.396 18840 1356 1 4 . 1 1 554 554 SER N N 554 117.586 117.586 115.641 1.945 18840 1357 1 4 . 1 1 554 554 SER HA H 554 5.128 5.128 4.883 0.245 18840 1358 1 4 . 1 1 554 554 SER CA C 554 55.199 55.199 55.731 -0.532 18840 1359 1 4 . 1 1 554 554 SER CB C 554 64.833 64.833 64.812 0.021 18840 1360 1 4 . 1 1 554 554 SER H H 554 8.668 8.668 8.531 0.137 18840 1361 1 4 . 1 1 555 555 PRO HA H 555 4.296 4.296 4.285 0.011 18840 1362 1 4 . 1 1 555 555 PRO C C 555 176.447 176.447 176.142 0.305 18840 1363 1 4 . 1 1 555 555 PRO CA C 555 63.029 63.029 61.878 1.151 18840 1364 1 4 . 1 1 555 555 PRO CB C 555 31.779 31.779 31.066 0.713 18840 1365 1 4 . 1 1 556 556 LEU N N 556 123.469 123.469 126.524 -3.055 18840 1366 1 4 . 1 1 556 556 LEU HA H 556 4.788 4.788 4.462 0.326 18840 1367 1 4 . 1 1 556 556 LEU C C 556 176.176 176.176 176.861 -0.685 18840 1368 1 4 . 1 1 556 556 LEU CA C 556 54.247 54.247 55.085 -0.838 18840 1369 1 4 . 1 1 556 556 LEU CB C 556 44.237 44.237 43.159 1.078 18840 1370 1 4 . 1 1 556 556 LEU H H 556 8.802 8.802 8.711 0.091 18840 1371 1 4 . 1 1 557 557 MET N N 557 122.362 122.362 118.630 3.732 18840 1372 1 4 . 1 1 557 557 MET HA H 557 4.983 4.983 4.828 0.155 18840 1373 1 4 . 1 1 557 557 MET C C 557 175.983 175.983 176.300 -0.317 18840 1374 1 4 . 1 1 557 557 MET CA C 557 54.641 54.641 54.242 0.398 18840 1375 1 4 . 1 1 557 557 MET CB C 557 34.181 34.181 36.039 -1.858 18840 1376 1 4 . 1 1 557 557 MET H H 557 8.624 8.624 8.246 0.378 18840 1377 1 4 . 1 1 558 558 ARG N N 558 123.450 123.450 121.973 1.477 18840 1378 1 4 . 1 1 558 558 ARG HA H 558 4.302 4.302 4.470 -0.168 18840 1379 1 4 . 1 1 558 558 ARG CA C 558 56.545 56.545 55.838 0.707 18840 1380 1 4 . 1 1 558 558 ARG CB C 558 31.139 31.139 30.974 0.165 18840 1381 1 4 . 1 1 558 558 ARG H H 558 8.901 8.901 8.561 0.340 18840 1382 1 4 . 1 1 559 559 ASN HA H 559 4.642 4.642 4.644 -0.002 18840 1383 1 4 . 1 1 559 559 ASN CA C 559 53.286 53.286 53.329 -0.043 18840 1384 1 4 . 1 1 559 559 ASN CB C 559 38.877 38.877 39.206 -0.329 18840 1385 1 4 . 1 1 560 560 GLN N N 560 121.173 121.173 121.319 -0.146 18840 1386 1 4 . 1 1 560 560 GLN HA H 560 4.308 4.308 4.408 -0.100 18840 1387 1 4 . 1 1 560 560 GLN C C 560 175.883 175.883 174.946 0.937 18840 1388 1 4 . 1 1 560 560 GLN CA C 560 56.023 56.023 56.310 -0.287 18840 1389 1 4 . 1 1 560 560 GLN CB C 560 29.702 29.702 29.516 0.186 18840 1390 1 4 . 1 1 560 560 GLN H H 560 8.284 8.284 8.446 -0.162 18840 1391 1 4 . 1 1 561 561 LYS N N 561 122.223 122.223 119.716 2.507 18840 1392 1 4 . 1 1 561 561 LYS HA H 561 4.267 4.267 4.455 -0.188 18840 1393 1 4 . 1 1 561 561 LYS C C 561 176.349 176.349 175.879 0.470 18840 1394 1 4 . 1 1 561 561 LYS CA C 561 56.659 56.659 55.194 1.465 18840 1395 1 4 . 1 1 561 561 LYS CB C 561 32.966 32.966 33.826 -0.860 18840 1396 1 4 . 1 1 561 561 LYS H H 561 8.350 8.350 8.056 0.294 18840 1397 1 4 . 1 1 562 562 ASN N N 562 119.683 119.683 118.869 0.814 18840 1398 1 4 . 1 1 562 562 ASN HA H 562 4.681 4.681 4.619 0.062 18840 1399 1 4 . 1 1 562 562 ASN C C 562 175.298 175.298 176.190 -0.892 18840 1400 1 4 . 1 1 562 562 ASN CA C 562 53.375 53.375 54.838 -1.463 18840 1401 1 4 . 1 1 562 562 ASN CB C 562 38.920 38.920 39.103 -0.183 18840 1402 1 4 . 1 1 562 562 ASN H H 562 8.440 8.440 8.609 -0.169 18840 1403 1 4 . 1 1 563 563 ARG N N 563 121.405 121.405 117.253 4.152 18840 1404 1 4 . 1 1 563 563 ARG HA H 563 4.315 4.315 4.385 -0.070 18840 1405 1 4 . 1 1 563 563 ARG C C 563 176.088 176.088 173.986 2.102 18840 1406 1 4 . 1 1 563 563 ARG CA C 563 56.489 56.489 56.755 -0.266 18840 1407 1 4 . 1 1 563 563 ARG CB C 563 30.775 30.775 30.960 -0.185 18840 1408 1 4 . 1 1 563 563 ARG H H 563 8.333 8.333 7.831 0.502 18840 1409 1 4 . 1 1 564 564 ASP N N 564 121.203 121.203 116.521 4.682 18840 1410 1 4 . 1 1 564 564 ASP HA H 564 4.667 4.667 4.797 -0.130 18840 1411 1 4 . 1 1 564 564 ASP C C 564 176.148 176.148 175.461 0.687 18840 1412 1 4 . 1 1 564 564 ASP CA C 564 54.597 54.597 53.833 0.764 18840 1413 1 4 . 1 1 564 564 ASP CB C 564 41.249 41.249 42.723 -1.474 18840 1414 1 4 . 1 1 564 564 ASP H H 564 8.387 8.387 7.810 0.577 18840 1415 1 4 . 1 1 565 565 SER N N 565 116.058 116.058 116.338 -0.280 18840 1416 1 4 . 1 1 565 565 SER HA H 565 4.528 4.528 4.538 -0.010 18840 1417 1 4 . 1 1 565 565 SER C C 565 173.755 173.755 175.034 -1.279 18840 1418 1 4 . 1 1 565 565 SER CA C 565 58.266 58.266 58.849 -0.583 18840 1419 1 4 . 1 1 565 565 SER CB C 565 64.077 64.077 63.728 0.349 18840 1420 1 4 . 1 1 565 565 SER H H 565 8.186 8.186 8.584 -0.398 18840 1421 1 5 . 1 1 503 503 PRO HA H 503 4.533 4.533 4.682 -0.149 18840 1422 1 5 . 1 1 503 503 PRO C C 503 176.777 176.777 176.131 0.646 18840 1423 1 5 . 1 1 503 503 PRO CA C 503 62.962 62.962 62.620 0.342 18840 1424 1 5 . 1 1 503 503 PRO CB C 503 32.403 32.403 32.776 -0.373 18840 1425 1 5 . 1 1 504 504 VAL N N 504 120.734 120.734 120.616 0.118 18840 1426 1 5 . 1 1 504 504 VAL HA H 504 4.102 4.102 4.404 -0.302 18840 1427 1 5 . 1 1 504 504 VAL C C 504 175.887 175.887 174.820 1.067 18840 1428 1 5 . 1 1 504 504 VAL CA C 504 62.483 62.483 62.372 0.111 18840 1429 1 5 . 1 1 504 504 VAL CB C 504 32.864 32.864 33.171 -0.307 18840 1430 1 5 . 1 1 504 504 VAL H H 504 8.290 8.290 8.358 -0.068 18840 1431 1 5 . 1 1 505 505 GLN N N 505 125.069 125.069 125.772 -0.703 18840 1432 1 5 . 1 1 505 505 GLN HA H 505 4.430 4.430 4.701 -0.271 18840 1433 1 5 . 1 1 505 505 GLN C C 505 175.207 175.207 174.059 1.148 18840 1434 1 5 . 1 1 505 505 GLN CA C 505 55.476 55.476 55.152 0.324 18840 1435 1 5 . 1 1 505 505 GLN CB C 505 29.918 29.918 30.998 -1.080 18840 1436 1 5 . 1 1 505 505 GLN H H 505 8.450 8.450 8.558 -0.108 18840 1437 1 5 . 1 1 506 506 ILE N N 506 123.121 123.121 120.790 2.331 18840 1438 1 5 . 1 1 506 506 ILE HA H 506 4.303 4.303 4.530 -0.227 18840 1439 1 5 . 1 1 506 506 ILE C C 506 175.607 175.607 173.832 1.775 18840 1440 1 5 . 1 1 506 506 ILE CA C 506 60.346 60.346 61.110 -0.764 18840 1441 1 5 . 1 1 506 506 ILE CB C 506 39.046 39.046 40.882 -1.836 18840 1442 1 5 . 1 1 506 506 ILE H H 506 8.259 8.259 8.928 -0.669 18840 1443 1 5 . 1 1 507 507 ASP N N 507 126.258 126.258 127.542 -1.284 18840 1444 1 5 . 1 1 507 507 ASP HA H 507 4.909 4.909 4.990 -0.081 18840 1445 1 5 . 1 1 507 507 ASP CA C 507 51.929 51.929 52.335 -0.406 18840 1446 1 5 . 1 1 507 507 ASP CB C 507 41.712 41.712 42.223 -0.511 18840 1447 1 5 . 1 1 507 507 ASP H H 507 8.419 8.419 8.636 -0.217 18840 1448 1 5 . 1 1 508 508 PRO HA H 508 4.304 4.304 4.418 -0.114 18840 1449 1 5 . 1 1 508 508 PRO C C 508 176.539 176.539 176.209 0.330 18840 1450 1 5 . 1 1 508 508 PRO CA C 508 63.271 63.271 62.589 0.682 18840 1451 1 5 . 1 1 508 508 PRO CB C 508 32.117 32.117 30.227 1.890 18840 1452 1 5 . 1 1 509 509 TYR N N 509 119.278 119.278 115.860 3.418 18840 1453 1 5 . 1 1 509 509 TYR HA H 509 4.486 4.486 4.600 -0.114 18840 1454 1 5 . 1 1 509 509 TYR C C 509 175.814 175.814 175.458 0.356 18840 1455 1 5 . 1 1 509 509 TYR CA C 509 57.945 57.945 56.393 1.552 18840 1456 1 5 . 1 1 509 509 TYR CB C 509 37.723 37.723 38.036 -0.313 18840 1457 1 5 . 1 1 509 509 TYR H H 509 8.218 8.218 7.809 0.409 18840 1458 1 5 . 1 1 510 510 LEU N N 510 122.827 122.827 120.145 2.682 18840 1459 1 5 . 1 1 510 510 LEU HA H 510 4.254 4.254 3.746 0.508 18840 1460 1 5 . 1 1 510 510 LEU C C 510 176.689 176.689 178.182 -1.493 18840 1461 1 5 . 1 1 510 510 LEU CA C 510 54.934 54.934 55.103 -0.169 18840 1462 1 5 . 1 1 510 510 LEU CB C 510 42.647 42.647 41.581 1.066 18840 1463 1 5 . 1 1 510 510 LEU H H 510 7.655 7.655 6.873 0.782 18840 1464 1 5 . 1 1 511 511 GLU N N 511 120.110 120.110 119.694 0.416 18840 1465 1 5 . 1 1 511 511 GLU HA H 511 4.234 4.234 4.056 0.178 18840 1466 1 5 . 1 1 511 511 GLU CA C 511 55.912 55.912 59.167 -3.255 18840 1467 1 5 . 1 1 511 511 GLU CB C 511 31.398 31.398 28.867 2.531 18840 1468 1 5 . 1 1 511 511 GLU H H 511 8.223 8.223 9.177 -0.954 18840 1469 1 5 . 1 1 512 512 ASP N N 512 120.430 120.430 121.764 -1.334 18840 1470 1 5 . 1 1 512 512 ASP HA H 512 4.439 4.439 4.822 -0.383 18840 1471 1 5 . 1 1 512 512 ASP C C 512 175.742 175.742 174.885 0.857 18840 1472 1 5 . 1 1 512 512 ASP CA C 512 54.405 54.405 53.615 0.789 18840 1473 1 5 . 1 1 512 512 ASP CB C 512 40.977 40.977 40.824 0.153 18840 1474 1 5 . 1 1 512 512 ASP H H 512 8.258 8.258 8.107 0.151 18840 1475 1 5 . 1 1 513 513 SER N N 513 116.712 116.712 115.690 1.022 18840 1476 1 5 . 1 1 513 513 SER HA H 513 4.282 4.282 4.491 -0.209 18840 1477 1 5 . 1 1 513 513 SER C C 513 174.628 174.628 173.703 0.925 18840 1478 1 5 . 1 1 513 513 SER CA C 513 57.783 57.783 56.920 0.863 18840 1479 1 5 . 1 1 513 513 SER CB C 513 64.481 64.481 63.583 0.898 18840 1480 1 5 . 1 1 513 513 SER H H 513 8.004 8.004 7.407 0.597 18840 1481 1 5 . 1 1 514 514 LEU N N 514 124.291 124.291 125.387 -1.096 18840 1482 1 5 . 1 1 514 514 LEU HA H 514 4.360 4.360 4.241 0.119 18840 1483 1 5 . 1 1 514 514 LEU C C 514 176.422 176.422 176.193 0.229 18840 1484 1 5 . 1 1 514 514 LEU CA C 514 54.896 54.896 54.725 0.171 18840 1485 1 5 . 1 1 514 514 LEU CB C 514 43.711 43.711 41.942 1.769 18840 1486 1 5 . 1 1 514 514 LEU H H 514 8.248 8.248 8.348 -0.100 18840 1487 1 5 . 1 1 515 515 CYS N N 515 121.802 121.802 124.535 -2.733 18840 1488 1 5 . 1 1 515 515 CYS HA H 515 3.818 3.818 4.447 -0.629 18840 1489 1 5 . 1 1 515 515 CYS C C 515 177.418 177.418 176.496 0.922 18840 1490 1 5 . 1 1 515 515 CYS CA C 515 60.542 60.542 59.192 1.350 18840 1491 1 5 . 1 1 515 515 CYS CB C 515 31.859 31.859 27.848 4.011 18840 1492 1 5 . 1 1 515 515 CYS H H 515 8.418 8.418 8.406 0.012 18840 1493 1 5 . 1 1 516 516 HIS N N 516 129.671 129.671 127.545 2.126 18840 1494 1 5 . 1 1 516 516 HIS HA H 516 4.497 4.497 4.441 0.056 18840 1495 1 5 . 1 1 516 516 HIS C C 516 175.845 175.845 175.977 -0.132 18840 1496 1 5 . 1 1 516 516 HIS CA C 516 58.672 58.672 59.100 -0.428 18840 1497 1 5 . 1 1 516 516 HIS CB C 516 31.910 31.910 29.760 2.150 18840 1498 1 5 . 1 1 516 516 HIS H H 516 9.149 9.149 8.713 0.436 18840 1499 1 5 . 1 1 517 517 ILE N N 517 121.766 121.766 119.739 2.027 18840 1500 1 5 . 1 1 517 517 ILE HA H 517 4.170 4.170 4.077 0.093 18840 1501 1 5 . 1 1 517 517 ILE C C 517 177.448 177.448 177.285 0.163 18840 1502 1 5 . 1 1 517 517 ILE CA C 517 61.900 61.900 62.683 -0.783 18840 1503 1 5 . 1 1 517 517 ILE CB C 517 35.256 35.256 37.811 -2.555 18840 1504 1 5 . 1 1 517 517 ILE H H 517 9.347 9.347 7.982 1.365 18840 1505 1 5 . 1 1 518 518 CYS N N 518 118.774 118.774 115.361 3.413 18840 1506 1 5 . 1 1 518 518 CYS HA H 518 4.772 4.772 4.587 0.185 18840 1507 1 5 . 1 1 518 518 CYS C C 518 176.883 176.883 175.709 1.174 18840 1508 1 5 . 1 1 518 518 CYS CA C 518 59.309 59.309 58.793 0.516 18840 1509 1 5 . 1 1 518 518 CYS CB C 518 31.994 31.994 29.084 2.910 18840 1510 1 5 . 1 1 518 518 CYS H H 518 8.564 8.564 8.346 0.218 18840 1511 1 5 . 1 1 519 519 SER N N 519 116.362 116.362 115.911 0.451 18840 1512 1 5 . 1 1 519 519 SER HA H 519 4.403 4.403 4.108 0.295 18840 1513 1 5 . 1 1 519 519 SER C C 519 174.258 174.258 174.201 0.057 18840 1514 1 5 . 1 1 519 519 SER CA C 519 60.236 60.236 59.309 0.927 18840 1515 1 5 . 1 1 519 519 SER CB C 519 62.727 62.727 61.170 1.556 18840 1516 1 5 . 1 1 519 519 SER H H 519 7.619 7.619 8.529 -0.910 18840 1517 1 5 . 1 1 520 520 SER N N 520 113.506 113.506 114.738 -1.232 18840 1518 1 5 . 1 1 520 520 SER HA H 520 4.832 4.832 4.416 0.416 18840 1519 1 5 . 1 1 520 520 SER C C 520 172.953 172.953 173.151 -0.198 18840 1520 1 5 . 1 1 520 520 SER CA C 520 58.849 58.849 58.942 -0.093 18840 1521 1 5 . 1 1 520 520 SER CB C 520 65.701 65.701 63.791 1.910 18840 1522 1 5 . 1 1 520 520 SER H H 520 8.328 8.328 8.142 0.186 18840 1523 1 5 . 1 1 521 521 GLN N N 521 118.652 118.652 117.683 0.969 18840 1524 1 5 . 1 1 521 521 GLN HA H 521 4.932 4.932 4.800 0.132 18840 1525 1 5 . 1 1 521 521 GLN CA C 521 52.845 52.845 53.084 -0.239 18840 1526 1 5 . 1 1 521 521 GLN CB C 521 30.606 30.606 29.123 1.483 18840 1527 1 5 . 1 1 521 521 GLN H H 521 7.416 7.416 7.833 -0.417 18840 1528 1 5 . 1 1 522 522 PRO HA H 522 4.415 4.415 4.793 -0.378 18840 1529 1 5 . 1 1 522 522 PRO C C 522 175.086 175.086 177.231 -2.145 18840 1530 1 5 . 1 1 522 522 PRO CA C 522 63.782 63.782 62.605 1.177 18840 1531 1 5 . 1 1 522 522 PRO CB C 522 32.536 32.536 32.169 0.367 18840 1532 1 5 . 1 1 523 523 GLY N N 523 110.217 110.217 110.500 -0.283 18840 1533 1 5 . 1 1 523 523 GLY CA C 523 46.095 46.095 42.964 3.131 18840 1534 1 5 . 1 1 523 523 GLY H H 523 8.909 8.909 8.065 0.844 18840 1535 1 5 . 1 1 524 524 PRO HA H 524 4.457 4.457 4.288 0.169 18840 1536 1 5 . 1 1 524 524 PRO C C 524 176.040 176.040 175.908 0.132 18840 1537 1 5 . 1 1 524 524 PRO CA C 524 63.115 63.115 63.383 -0.268 18840 1538 1 5 . 1 1 524 524 PRO CB C 524 32.830 32.830 32.360 0.470 18840 1539 1 5 . 1 1 525 525 PHE N N 525 116.223 116.223 118.923 -2.700 18840 1540 1 5 . 1 1 525 525 PHE HA H 525 5.039 5.039 4.715 0.324 18840 1541 1 5 . 1 1 525 525 PHE C C 525 174.437 174.437 173.880 0.557 18840 1542 1 5 . 1 1 525 525 PHE CA C 525 56.080 56.080 56.665 -0.585 18840 1543 1 5 . 1 1 525 525 PHE CB C 525 39.780 39.780 41.393 -1.613 18840 1544 1 5 . 1 1 525 525 PHE H H 525 8.148 8.148 7.679 0.469 18840 1545 1 5 . 1 1 526 526 PHE N N 526 125.861 125.861 123.986 1.875 18840 1546 1 5 . 1 1 526 526 PHE HA H 526 5.102 5.102 5.419 -0.317 18840 1547 1 5 . 1 1 526 526 PHE C C 526 175.221 175.221 173.955 1.266 18840 1548 1 5 . 1 1 526 526 PHE CA C 526 56.865 56.865 56.124 0.741 18840 1549 1 5 . 1 1 526 526 PHE CB C 526 41.661 41.661 41.950 -0.289 18840 1550 1 5 . 1 1 526 526 PHE H H 526 9.522 9.522 8.587 0.935 18840 1551 1 5 . 1 1 527 527 CYS N N 527 128.663 128.663 127.963 0.700 18840 1552 1 5 . 1 1 527 527 CYS HA H 527 4.931 4.931 5.023 -0.092 18840 1553 1 5 . 1 1 527 527 CYS C C 527 174.052 174.052 174.408 -0.356 18840 1554 1 5 . 1 1 527 527 CYS CA C 527 58.267 58.267 56.855 1.412 18840 1555 1 5 . 1 1 527 527 CYS CB C 527 31.075 31.075 29.295 1.780 18840 1556 1 5 . 1 1 527 527 CYS H H 527 7.723 7.723 8.335 -0.612 18840 1557 1 5 . 1 1 528 528 ARG N N 528 125.354 125.354 125.845 -0.491 18840 1558 1 5 . 1 1 528 528 ARG HA H 528 4.148 4.148 4.467 -0.319 18840 1559 1 5 . 1 1 528 528 ARG C C 528 175.406 175.406 176.190 -0.784 18840 1560 1 5 . 1 1 528 528 ARG CA C 528 55.971 55.971 56.070 -0.099 18840 1561 1 5 . 1 1 528 528 ARG CB C 528 31.165 31.165 30.601 0.564 18840 1562 1 5 . 1 1 528 528 ARG H H 528 8.866 8.866 8.770 0.096 18840 1563 1 5 . 1 1 529 529 ASP N N 529 124.001 124.001 120.472 3.529 18840 1564 1 5 . 1 1 529 529 ASP HA H 529 4.203 4.203 4.446 -0.243 18840 1565 1 5 . 1 1 529 529 ASP C C 529 178.105 178.105 177.447 0.658 18840 1566 1 5 . 1 1 529 529 ASP CA C 529 56.288 56.288 54.451 1.837 18840 1567 1 5 . 1 1 529 529 ASP CB C 529 43.574 43.574 41.862 1.712 18840 1568 1 5 . 1 1 529 529 ASP H H 529 8.198 8.198 7.382 0.816 18840 1569 1 5 . 1 1 530 530 GLN N N 530 125.372 125.372 124.638 0.734 18840 1570 1 5 . 1 1 530 530 GLN HA H 530 3.894 3.894 4.037 -0.143 18840 1571 1 5 . 1 1 530 530 GLN C C 530 177.471 177.471 176.811 0.660 18840 1572 1 5 . 1 1 530 530 GLN CA C 530 59.159 59.159 58.264 0.895 18840 1573 1 5 . 1 1 530 530 GLN CB C 530 28.731 28.731 28.864 -0.133 18840 1574 1 5 . 1 1 530 530 GLN H H 530 8.746 8.746 8.628 0.118 18840 1575 1 5 . 1 1 531 531 VAL N N 531 113.137 113.137 118.277 -5.140 18840 1576 1 5 . 1 1 531 531 VAL HA H 531 4.282 4.282 3.813 0.469 18840 1577 1 5 . 1 1 531 531 VAL C C 531 176.295 176.295 176.690 -0.395 18840 1578 1 5 . 1 1 531 531 VAL CA C 531 63.324 63.324 65.608 -2.284 18840 1579 1 5 . 1 1 531 531 VAL CB C 531 31.457 31.457 32.193 -0.736 18840 1580 1 5 . 1 1 531 531 VAL H H 531 8.659 8.659 8.877 -0.218 18840 1581 1 5 . 1 1 532 532 CYS N N 532 121.034 121.034 116.711 4.323 18840 1582 1 5 . 1 1 532 532 CYS HA H 532 4.568 4.568 4.854 -0.286 18840 1583 1 5 . 1 1 532 532 CYS C C 532 172.994 172.994 174.784 -1.790 18840 1584 1 5 . 1 1 532 532 CYS CA C 532 60.437 60.437 60.826 -0.389 18840 1585 1 5 . 1 1 532 532 CYS CB C 532 31.856 31.856 28.774 3.082 18840 1586 1 5 . 1 1 532 532 CYS H H 532 8.023 8.023 7.492 0.531 18840 1587 1 5 . 1 1 533 533 PHE N N 533 129.389 129.389 118.810 10.579 18840 1588 1 5 . 1 1 533 533 PHE HA H 533 4.197 4.197 4.080 0.117 18840 1589 1 5 . 1 1 533 533 PHE C C 533 174.830 174.830 174.007 0.823 18840 1590 1 5 . 1 1 533 533 PHE CA C 533 59.754 59.754 59.002 0.752 18840 1591 1 5 . 1 1 533 533 PHE CB C 533 38.260 38.260 37.317 0.943 18840 1592 1 5 . 1 1 533 533 PHE H H 533 7.928 7.928 8.215 -0.287 18840 1593 1 5 . 1 1 534 534 LYS N N 534 113.676 113.676 116.995 -3.319 18840 1594 1 5 . 1 1 534 534 LYS HA H 534 4.466 4.466 4.538 -0.072 18840 1595 1 5 . 1 1 534 534 LYS C C 534 173.055 173.055 174.346 -1.291 18840 1596 1 5 . 1 1 534 534 LYS CA C 534 54.068 54.068 53.923 0.145 18840 1597 1 5 . 1 1 534 534 LYS CB C 534 37.800 37.800 36.713 1.087 18840 1598 1 5 . 1 1 534 534 LYS H H 534 6.430 6.430 7.441 -1.011 18840 1599 1 5 . 1 1 535 535 TYR N N 535 117.686 117.686 118.186 -0.500 18840 1600 1 5 . 1 1 535 535 TYR HA H 535 5.165 5.165 5.380 -0.215 18840 1601 1 5 . 1 1 535 535 TYR C C 535 175.888 175.888 175.545 0.343 18840 1602 1 5 . 1 1 535 535 TYR CA C 535 58.593 58.593 57.506 1.087 18840 1603 1 5 . 1 1 535 535 TYR CB C 535 40.020 40.020 39.995 0.025 18840 1604 1 5 . 1 1 535 535 TYR H H 535 7.145 7.145 8.385 -1.240 18840 1605 1 5 . 1 1 536 536 PHE N N 536 117.497 117.497 118.420 -0.923 18840 1606 1 5 . 1 1 536 536 PHE HA H 536 6.399 6.399 5.222 1.177 18840 1607 1 5 . 1 1 536 536 PHE C C 536 177.127 177.127 175.456 1.671 18840 1608 1 5 . 1 1 536 536 PHE CA C 536 57.056 57.056 56.854 0.202 18840 1609 1 5 . 1 1 536 536 PHE CB C 536 45.217 45.217 43.784 1.433 18840 1610 1 5 . 1 1 536 536 PHE H H 536 9.608 9.608 9.167 0.441 18840 1611 1 5 . 1 1 537 537 CYS N N 537 119.624 119.624 120.858 -1.234 18840 1612 1 5 . 1 1 537 537 CYS HA H 537 5.499 5.499 4.959 0.540 18840 1613 1 5 . 1 1 537 537 CYS C C 537 176.128 176.128 176.278 -0.150 18840 1614 1 5 . 1 1 537 537 CYS CA C 537 58.097 58.097 58.469 -0.372 18840 1615 1 5 . 1 1 537 537 CYS CB C 537 32.306 32.306 29.555 2.751 18840 1616 1 5 . 1 1 537 537 CYS H H 537 9.777 9.777 9.163 0.614 18840 1617 1 5 . 1 1 538 538 ARG N N 538 120.573 120.573 122.135 -1.562 18840 1618 1 5 . 1 1 538 538 ARG HA H 538 3.791 3.791 4.138 -0.347 18840 1619 1 5 . 1 1 538 538 ARG C C 538 178.403 178.403 178.271 0.132 18840 1620 1 5 . 1 1 538 538 ARG CA C 538 60.937 60.937 61.096 -0.159 18840 1621 1 5 . 1 1 538 538 ARG CB C 538 30.392 30.392 30.180 0.211 18840 1622 1 5 . 1 1 538 538 ARG H H 538 9.375 9.375 9.148 0.227 18840 1623 1 5 . 1 1 539 539 SER N N 539 114.562 114.562 113.806 0.756 18840 1624 1 5 . 1 1 539 539 SER HA H 539 4.491 4.491 4.371 0.120 18840 1625 1 5 . 1 1 539 539 SER C C 539 178.610 178.610 176.514 2.096 18840 1626 1 5 . 1 1 539 539 SER CA C 539 62.159 62.159 61.619 0.540 18840 1627 1 5 . 1 1 539 539 SER CB C 539 62.934 62.934 63.096 -0.162 18840 1628 1 5 . 1 1 539 539 SER H H 539 8.549 8.549 8.785 -0.236 18840 1629 1 5 . 1 1 540 540 CYS N N 540 126.990 126.990 120.991 5.999 18840 1630 1 5 . 1 1 540 540 CYS HA H 540 4.454 4.454 4.605 -0.151 18840 1631 1 5 . 1 1 540 540 CYS C C 540 178.546 178.546 176.970 1.576 18840 1632 1 5 . 1 1 540 540 CYS CA C 540 65.024 65.024 61.748 3.276 18840 1633 1 5 . 1 1 540 540 CYS CB C 540 30.747 30.747 26.391 4.356 18840 1634 1 5 . 1 1 540 540 CYS H H 540 9.534 9.534 8.431 1.103 18840 1635 1 5 . 1 1 541 541 TRP N N 541 121.037 121.037 122.345 -1.308 18840 1636 1 5 . 1 1 541 541 TRP HA H 541 3.319 3.319 4.109 -0.790 18840 1637 1 5 . 1 1 541 541 TRP C C 541 179.671 179.671 177.730 1.941 18840 1638 1 5 . 1 1 541 541 TRP CA C 541 62.783 62.783 61.045 1.738 18840 1639 1 5 . 1 1 541 541 TRP CB C 541 27.747 27.747 29.025 -1.278 18840 1640 1 5 . 1 1 541 541 TRP H H 541 9.632 9.632 9.024 0.608 18840 1641 1 5 . 1 1 542 542 HIS N N 542 119.251 119.251 120.120 -0.869 18840 1642 1 5 . 1 1 542 542 HIS HA H 542 4.330 4.330 4.290 0.040 18840 1643 1 5 . 1 1 542 542 HIS C C 542 177.291 177.291 176.698 0.593 18840 1644 1 5 . 1 1 542 542 HIS CA C 542 59.909 59.909 60.712 -0.803 18840 1645 1 5 . 1 1 542 542 HIS CB C 542 30.594 30.594 30.013 0.581 18840 1646 1 5 . 1 1 542 542 HIS H H 542 8.073 8.073 8.157 -0.084 18840 1647 1 5 . 1 1 543 543 TRP N N 543 121.212 121.212 119.899 1.313 18840 1648 1 5 . 1 1 543 543 TRP HA H 543 4.231 4.231 4.236 -0.005 18840 1649 1 5 . 1 1 543 543 TRP C C 543 178.256 178.256 178.120 0.136 18840 1650 1 5 . 1 1 543 543 TRP CA C 543 60.959 60.959 61.211 -0.251 18840 1651 1 5 . 1 1 543 543 TRP CB C 543 28.593 28.593 29.700 -1.107 18840 1652 1 5 . 1 1 543 543 TRP H H 543 8.200 8.200 8.193 0.007 18840 1653 1 5 . 1 1 544 544 ARG N N 544 118.044 118.044 119.882 -1.838 18840 1654 1 5 . 1 1 544 544 ARG HA H 544 3.199 3.199 3.354 -0.155 18840 1655 1 5 . 1 1 544 544 ARG C C 544 176.093 176.093 178.071 -1.978 18840 1656 1 5 . 1 1 544 544 ARG CA C 544 57.149 57.149 58.106 -0.957 18840 1657 1 5 . 1 1 544 544 ARG CB C 544 29.942 29.942 29.199 0.743 18840 1658 1 5 . 1 1 544 544 ARG H H 544 8.194 8.194 8.164 0.030 18840 1659 1 5 . 1 1 545 545 HIS N N 545 109.049 109.049 114.925 -5.876 18840 1660 1 5 . 1 1 545 545 HIS HA H 545 3.781 3.781 4.211 -0.430 18840 1661 1 5 . 1 1 545 545 HIS C C 545 173.247 173.247 175.178 -1.931 18840 1662 1 5 . 1 1 545 545 HIS CA C 545 58.848 58.848 56.208 2.640 18840 1663 1 5 . 1 1 545 545 HIS CB C 545 25.314 25.314 28.886 -3.571 18840 1664 1 5 . 1 1 545 545 HIS H H 545 7.410 7.410 7.553 -0.143 18840 1665 1 5 . 1 1 546 546 SER N N 546 112.353 112.353 114.409 -2.056 18840 1666 1 5 . 1 1 546 546 SER HA H 546 4.336 4.336 3.984 0.352 18840 1667 1 5 . 1 1 546 546 SER C C 546 174.714 174.714 174.076 0.638 18840 1668 1 5 . 1 1 546 546 SER CA C 546 59.042 59.042 58.933 0.109 18840 1669 1 5 . 1 1 546 546 SER CB C 546 63.464 63.464 63.005 0.459 18840 1670 1 5 . 1 1 546 546 SER H H 546 6.948 6.948 7.026 -0.078 18840 1671 1 5 . 1 1 547 547 MET N N 547 121.366 121.366 120.637 0.729 18840 1672 1 5 . 1 1 547 547 MET HA H 547 4.188 4.188 4.172 0.016 18840 1673 1 5 . 1 1 547 547 MET C C 547 175.421 175.421 176.300 -0.879 18840 1674 1 5 . 1 1 547 547 MET CA C 547 55.504 55.504 54.069 1.435 18840 1675 1 5 . 1 1 547 547 MET CB C 547 33.318 33.318 32.029 1.289 18840 1676 1 5 . 1 1 547 547 MET H H 547 6.821 6.821 7.066 -0.245 18840 1677 1 5 . 1 1 548 548 GLU N N 548 122.898 122.898 123.046 -0.148 18840 1678 1 5 . 1 1 548 548 GLU HA H 548 3.807 3.807 4.132 -0.325 18840 1679 1 5 . 1 1 548 548 GLU C C 548 176.918 176.918 177.448 -0.530 18840 1680 1 5 . 1 1 548 548 GLU CA C 548 58.746 58.746 58.083 0.663 18840 1681 1 5 . 1 1 548 548 GLU CB C 548 29.505 29.505 29.831 -0.326 18840 1682 1 5 . 1 1 548 548 GLU H H 548 8.515 8.515 8.415 0.100 18840 1683 1 5 . 1 1 549 549 GLY N N 549 112.898 112.898 110.773 2.125 18840 1684 1 5 . 1 1 549 549 GLY C C 549 174.645 174.645 174.758 -0.113 18840 1685 1 5 . 1 1 549 549 GLY CA C 549 45.411 45.411 45.332 0.079 18840 1686 1 5 . 1 1 549 549 GLY H H 549 8.950 8.950 8.682 0.268 18840 1687 1 5 . 1 1 550 550 LEU N N 550 118.164 118.164 118.922 -0.758 18840 1688 1 5 . 1 1 550 550 LEU HA H 550 3.928 3.928 4.261 -0.333 18840 1689 1 5 . 1 1 550 550 LEU C C 550 177.030 177.030 177.580 -0.550 18840 1690 1 5 . 1 1 550 550 LEU CA C 550 54.291 54.291 53.869 0.422 18840 1691 1 5 . 1 1 550 550 LEU CB C 550 42.968 42.968 41.499 1.469 18840 1692 1 5 . 1 1 550 550 LEU H H 550 7.702 7.702 7.324 0.378 18840 1693 1 5 . 1 1 551 551 ARG N N 551 115.914 115.914 118.526 -2.612 18840 1694 1 5 . 1 1 551 551 ARG HA H 551 4.405 4.405 4.051 0.354 18840 1695 1 5 . 1 1 551 551 ARG C C 551 177.206 177.206 176.588 0.618 18840 1696 1 5 . 1 1 551 551 ARG CA C 551 58.406 58.406 57.824 0.582 18840 1697 1 5 . 1 1 551 551 ARG CB C 551 30.360 30.360 29.619 0.741 18840 1698 1 5 . 1 1 551 551 ARG H H 551 7.299 7.299 8.300 -1.001 18840 1699 1 5 . 1 1 552 552 HIS N N 552 113.766 113.766 115.247 -1.481 18840 1700 1 5 . 1 1 552 552 HIS HA H 552 4.692 4.692 4.683 0.009 18840 1701 1 5 . 1 1 552 552 HIS C C 552 175.959 175.959 175.368 0.591 18840 1702 1 5 . 1 1 552 552 HIS CA C 552 56.223 56.223 55.795 0.428 18840 1703 1 5 . 1 1 552 552 HIS CB C 552 30.228 30.228 29.579 0.649 18840 1704 1 5 . 1 1 552 552 HIS H H 552 8.480 8.480 8.044 0.436 18840 1705 1 5 . 1 1 553 553 HIS N N 553 122.502 122.502 120.014 2.488 18840 1706 1 5 . 1 1 553 553 HIS HA H 553 4.459 4.459 4.307 0.152 18840 1707 1 5 . 1 1 553 553 HIS C C 553 174.820 174.820 174.763 0.057 18840 1708 1 5 . 1 1 553 553 HIS CA C 553 55.553 55.553 56.295 -0.742 18840 1709 1 5 . 1 1 553 553 HIS CB C 553 31.320 31.320 30.455 0.865 18840 1710 1 5 . 1 1 553 553 HIS H H 553 6.954 6.954 7.350 -0.396 18840 1711 1 5 . 1 1 554 554 SER N N 554 117.586 117.586 116.364 1.222 18840 1712 1 5 . 1 1 554 554 SER HA H 554 5.128 5.128 4.985 0.143 18840 1713 1 5 . 1 1 554 554 SER CA C 554 55.199 55.199 55.814 -0.615 18840 1714 1 5 . 1 1 554 554 SER CB C 554 64.833 64.833 64.873 -0.039 18840 1715 1 5 . 1 1 554 554 SER H H 554 8.668 8.668 8.428 0.240 18840 1716 1 5 . 1 1 555 555 PRO HA H 555 4.296 4.296 4.985 -0.689 18840 1717 1 5 . 1 1 555 555 PRO C C 555 176.447 176.447 177.140 -0.693 18840 1718 1 5 . 1 1 555 555 PRO CA C 555 63.029 63.029 62.350 0.679 18840 1719 1 5 . 1 1 555 555 PRO CB C 555 31.779 31.779 32.231 -0.452 18840 1720 1 5 . 1 1 556 556 LEU N N 556 123.469 123.469 118.547 4.922 18840 1721 1 5 . 1 1 556 556 LEU HA H 556 4.788 4.788 4.479 0.309 18840 1722 1 5 . 1 1 556 556 LEU C C 556 176.176 176.176 176.845 -0.669 18840 1723 1 5 . 1 1 556 556 LEU CA C 556 54.247 54.247 54.887 -0.640 18840 1724 1 5 . 1 1 556 556 LEU CB C 556 44.237 44.237 41.973 2.264 18840 1725 1 5 . 1 1 556 556 LEU H H 556 8.802 8.802 7.944 0.858 18840 1726 1 5 . 1 1 557 557 MET N N 557 122.362 122.362 120.500 1.862 18840 1727 1 5 . 1 1 557 557 MET HA H 557 4.983 4.983 4.712 0.271 18840 1728 1 5 . 1 1 557 557 MET C C 557 175.983 175.983 176.026 -0.043 18840 1729 1 5 . 1 1 557 557 MET CA C 557 54.641 54.641 54.916 -0.275 18840 1730 1 5 . 1 1 557 557 MET CB C 557 34.181 34.181 33.472 0.709 18840 1731 1 5 . 1 1 557 557 MET H H 557 8.624 8.624 8.231 0.393 18840 1732 1 5 . 1 1 558 558 ARG N N 558 123.450 123.450 125.983 -2.533 18840 1733 1 5 . 1 1 558 558 ARG HA H 558 4.302 4.302 4.554 -0.252 18840 1734 1 5 . 1 1 558 558 ARG CA C 558 56.545 56.545 56.006 0.539 18840 1735 1 5 . 1 1 558 558 ARG CB C 558 31.139 31.139 30.648 0.491 18840 1736 1 5 . 1 1 558 558 ARG H H 558 8.901 8.901 8.661 0.240 18840 1737 1 5 . 1 1 559 559 ASN HA H 559 4.642 4.642 4.804 -0.162 18840 1738 1 5 . 1 1 559 559 ASN CA C 559 53.286 53.286 52.671 0.615 18840 1739 1 5 . 1 1 559 559 ASN CB C 559 38.877 38.877 40.725 -1.848 18840 1740 1 5 . 1 1 560 560 GLN N N 560 121.173 121.173 120.355 0.818 18840 1741 1 5 . 1 1 560 560 GLN HA H 560 4.308 4.308 4.574 -0.266 18840 1742 1 5 . 1 1 560 560 GLN C C 560 175.883 175.883 174.826 1.057 18840 1743 1 5 . 1 1 560 560 GLN CA C 560 56.023 56.023 55.252 0.771 18840 1744 1 5 . 1 1 560 560 GLN CB C 560 29.702 29.702 31.547 -1.845 18840 1745 1 5 . 1 1 560 560 GLN H H 560 8.284 8.284 8.488 -0.204 18840 1746 1 5 . 1 1 561 561 LYS N N 561 122.223 122.223 123.319 -1.096 18840 1747 1 5 . 1 1 561 561 LYS HA H 561 4.267 4.267 4.287 -0.020 18840 1748 1 5 . 1 1 561 561 LYS C C 561 176.349 176.349 176.486 -0.137 18840 1749 1 5 . 1 1 561 561 LYS CA C 561 56.659 56.659 56.061 0.598 18840 1750 1 5 . 1 1 561 561 LYS CB C 561 32.966 32.966 33.110 -0.144 18840 1751 1 5 . 1 1 561 561 LYS H H 561 8.350 8.350 8.510 -0.160 18840 1752 1 5 . 1 1 562 562 ASN N N 562 119.683 119.683 121.240 -1.557 18840 1753 1 5 . 1 1 562 562 ASN HA H 562 4.681 4.681 4.746 -0.065 18840 1754 1 5 . 1 1 562 562 ASN C C 562 175.298 175.298 174.737 0.561 18840 1755 1 5 . 1 1 562 562 ASN CA C 562 53.375 53.375 53.639 -0.265 18840 1756 1 5 . 1 1 562 562 ASN CB C 562 38.920 38.920 39.468 -0.548 18840 1757 1 5 . 1 1 562 562 ASN H H 562 8.440 8.440 8.558 -0.118 18840 1758 1 5 . 1 1 563 563 ARG N N 563 121.405 121.405 122.989 -1.584 18840 1759 1 5 . 1 1 563 563 ARG HA H 563 4.315 4.315 4.456 -0.141 18840 1760 1 5 . 1 1 563 563 ARG C C 563 176.088 176.088 176.114 -0.026 18840 1761 1 5 . 1 1 563 563 ARG CA C 563 56.489 56.489 56.184 0.305 18840 1762 1 5 . 1 1 563 563 ARG CB C 563 30.775 30.775 32.955 -2.180 18840 1763 1 5 . 1 1 563 563 ARG H H 563 8.333 8.333 8.310 0.023 18840 1764 1 5 . 1 1 564 564 ASP N N 564 121.203 121.203 123.781 -2.578 18840 1765 1 5 . 1 1 564 564 ASP HA H 564 4.667 4.667 4.300 0.367 18840 1766 1 5 . 1 1 564 564 ASP C C 564 176.148 176.148 176.712 -0.564 18840 1767 1 5 . 1 1 564 564 ASP CA C 564 54.597 54.597 56.388 -1.791 18840 1768 1 5 . 1 1 564 564 ASP CB C 564 41.249 41.249 40.065 1.184 18840 1769 1 5 . 1 1 564 564 ASP H H 564 8.387 8.387 9.014 -0.627 18840 1770 1 5 . 1 1 565 565 SER N N 565 116.058 116.058 115.970 0.088 18840 1771 1 5 . 1 1 565 565 SER HA H 565 4.528 4.528 4.296 0.232 18840 1772 1 5 . 1 1 565 565 SER C C 565 173.755 173.755 175.398 -1.643 18840 1773 1 5 . 1 1 565 565 SER CA C 565 58.266 58.266 59.360 -1.094 18840 1774 1 5 . 1 1 565 565 SER CB C 565 64.077 64.077 63.586 0.491 18840 1775 1 5 . 1 1 565 565 SER H H 565 8.186 8.186 8.209 -0.023 18840 1776 1 6 . 1 1 503 503 PRO HA H 503 4.533 4.533 4.549 -0.016 18840 1777 1 6 . 1 1 503 503 PRO C C 503 176.777 176.777 176.783 -0.006 18840 1778 1 6 . 1 1 503 503 PRO CA C 503 62.962 62.962 62.141 0.821 18840 1779 1 6 . 1 1 503 503 PRO CB C 503 32.403 32.403 32.724 -0.321 18840 1780 1 6 . 1 1 504 504 VAL N N 504 120.734 120.734 121.123 -0.389 18840 1781 1 6 . 1 1 504 504 VAL HA H 504 4.102 4.102 4.066 0.036 18840 1782 1 6 . 1 1 504 504 VAL C C 504 175.887 175.887 176.802 -0.915 18840 1783 1 6 . 1 1 504 504 VAL CA C 504 62.483 62.483 62.942 -0.459 18840 1784 1 6 . 1 1 504 504 VAL CB C 504 32.864 32.864 32.070 0.794 18840 1785 1 6 . 1 1 504 504 VAL H H 504 8.290 8.290 8.277 0.013 18840 1786 1 6 . 1 1 505 505 GLN N N 505 125.069 125.069 126.548 -1.479 18840 1787 1 6 . 1 1 505 505 GLN HA H 505 4.430 4.430 4.462 -0.032 18840 1788 1 6 . 1 1 505 505 GLN C C 505 175.207 175.207 176.019 -0.812 18840 1789 1 6 . 1 1 505 505 GLN CA C 505 55.476 55.476 54.707 0.769 18840 1790 1 6 . 1 1 505 505 GLN CB C 505 29.918 29.918 29.521 0.397 18840 1791 1 6 . 1 1 505 505 GLN H H 505 8.450 8.450 8.310 0.140 18840 1792 1 6 . 1 1 506 506 ILE N N 506 123.121 123.121 122.637 0.484 18840 1793 1 6 . 1 1 506 506 ILE HA H 506 4.303 4.303 4.061 0.242 18840 1794 1 6 . 1 1 506 506 ILE C C 506 175.607 175.607 175.556 0.051 18840 1795 1 6 . 1 1 506 506 ILE CA C 506 60.346 60.346 61.167 -0.821 18840 1796 1 6 . 1 1 506 506 ILE CB C 506 39.046 39.046 38.857 0.189 18840 1797 1 6 . 1 1 506 506 ILE H H 506 8.259 8.259 8.363 -0.104 18840 1798 1 6 . 1 1 507 507 ASP N N 507 126.258 126.258 120.426 5.832 18840 1799 1 6 . 1 1 507 507 ASP HA H 507 4.909 4.909 4.935 -0.026 18840 1800 1 6 . 1 1 507 507 ASP CA C 507 51.929 51.929 52.297 -0.368 18840 1801 1 6 . 1 1 507 507 ASP CB C 507 41.712 41.712 40.848 0.864 18840 1802 1 6 . 1 1 507 507 ASP H H 507 8.419 8.419 7.864 0.555 18840 1803 1 6 . 1 1 508 508 PRO HA H 508 4.304 4.304 4.381 -0.077 18840 1804 1 6 . 1 1 508 508 PRO C C 508 176.539 176.539 176.562 -0.023 18840 1805 1 6 . 1 1 508 508 PRO CA C 508 63.271 63.271 62.844 0.427 18840 1806 1 6 . 1 1 508 508 PRO CB C 508 32.117 32.117 32.387 -0.270 18840 1807 1 6 . 1 1 509 509 TYR N N 509 119.278 119.278 120.368 -1.090 18840 1808 1 6 . 1 1 509 509 TYR HA H 509 4.486 4.486 4.519 -0.033 18840 1809 1 6 . 1 1 509 509 TYR C C 509 175.814 175.814 175.880 -0.066 18840 1810 1 6 . 1 1 509 509 TYR CA C 509 57.945 57.945 58.890 -0.945 18840 1811 1 6 . 1 1 509 509 TYR CB C 509 37.723 37.723 38.635 -0.912 18840 1812 1 6 . 1 1 509 509 TYR H H 509 8.218 8.218 8.701 -0.483 18840 1813 1 6 . 1 1 510 510 LEU N N 510 122.827 122.827 118.968 3.859 18840 1814 1 6 . 1 1 510 510 LEU HA H 510 4.254 4.254 4.527 -0.273 18840 1815 1 6 . 1 1 510 510 LEU C C 510 176.689 176.689 176.620 0.069 18840 1816 1 6 . 1 1 510 510 LEU CA C 510 54.934 54.934 54.272 0.662 18840 1817 1 6 . 1 1 510 510 LEU CB C 510 42.647 42.647 42.737 -0.090 18840 1818 1 6 . 1 1 510 510 LEU H H 510 7.655 7.655 7.460 0.195 18840 1819 1 6 . 1 1 511 511 GLU N N 511 120.110 120.110 120.969 -0.859 18840 1820 1 6 . 1 1 511 511 GLU HA H 511 4.234 4.234 4.555 -0.321 18840 1821 1 6 . 1 1 511 511 GLU CA C 511 55.912 55.912 55.470 0.442 18840 1822 1 6 . 1 1 511 511 GLU CB C 511 31.398 31.398 32.271 -0.873 18840 1823 1 6 . 1 1 511 511 GLU H H 511 8.223 8.223 8.748 -0.525 18840 1824 1 6 . 1 1 512 512 ASP N N 512 120.430 120.430 123.233 -2.803 18840 1825 1 6 . 1 1 512 512 ASP HA H 512 4.439 4.439 4.796 -0.357 18840 1826 1 6 . 1 1 512 512 ASP C C 512 175.742 175.742 175.571 0.171 18840 1827 1 6 . 1 1 512 512 ASP CA C 512 54.405 54.405 54.154 0.251 18840 1828 1 6 . 1 1 512 512 ASP CB C 512 40.977 40.977 39.644 1.333 18840 1829 1 6 . 1 1 512 512 ASP H H 512 8.258 8.258 8.563 -0.305 18840 1830 1 6 . 1 1 513 513 SER N N 513 116.712 116.712 117.102 -0.390 18840 1831 1 6 . 1 1 513 513 SER HA H 513 4.282 4.282 4.193 0.089 18840 1832 1 6 . 1 1 513 513 SER C C 513 174.628 174.628 174.050 0.578 18840 1833 1 6 . 1 1 513 513 SER CA C 513 57.783 57.783 58.067 -0.284 18840 1834 1 6 . 1 1 513 513 SER CB C 513 64.481 64.481 63.631 0.850 18840 1835 1 6 . 1 1 513 513 SER H H 513 8.004 8.004 7.889 0.115 18840 1836 1 6 . 1 1 514 514 LEU N N 514 124.291 124.291 125.958 -1.667 18840 1837 1 6 . 1 1 514 514 LEU HA H 514 4.360 4.360 4.131 0.229 18840 1838 1 6 . 1 1 514 514 LEU C C 514 176.422 176.422 175.837 0.585 18840 1839 1 6 . 1 1 514 514 LEU CA C 514 54.896 54.896 55.315 -0.419 18840 1840 1 6 . 1 1 514 514 LEU CB C 514 43.711 43.711 42.892 0.819 18840 1841 1 6 . 1 1 514 514 LEU H H 514 8.248 8.248 7.986 0.262 18840 1842 1 6 . 1 1 515 515 CYS N N 515 121.802 121.802 126.602 -4.800 18840 1843 1 6 . 1 1 515 515 CYS HA H 515 3.818 3.818 4.439 -0.621 18840 1844 1 6 . 1 1 515 515 CYS C C 515 177.418 177.418 175.957 1.461 18840 1845 1 6 . 1 1 515 515 CYS CA C 515 60.542 60.542 58.826 1.716 18840 1846 1 6 . 1 1 515 515 CYS CB C 515 31.859 31.859 27.306 4.553 18840 1847 1 6 . 1 1 515 515 CYS H H 515 8.418 8.418 8.325 0.093 18840 1848 1 6 . 1 1 516 516 HIS N N 516 129.671 129.671 127.474 2.197 18840 1849 1 6 . 1 1 516 516 HIS HA H 516 4.497 4.497 4.396 0.101 18840 1850 1 6 . 1 1 516 516 HIS C C 516 175.845 175.845 175.659 0.186 18840 1851 1 6 . 1 1 516 516 HIS CA C 516 58.672 58.672 58.640 0.032 18840 1852 1 6 . 1 1 516 516 HIS CB C 516 31.910 31.910 29.555 2.355 18840 1853 1 6 . 1 1 516 516 HIS H H 516 9.149 9.149 8.569 0.580 18840 1854 1 6 . 1 1 517 517 ILE N N 517 121.766 121.766 117.762 4.004 18840 1855 1 6 . 1 1 517 517 ILE HA H 517 4.170 4.170 3.985 0.185 18840 1856 1 6 . 1 1 517 517 ILE C C 517 177.448 177.448 177.336 0.112 18840 1857 1 6 . 1 1 517 517 ILE CA C 517 61.900 61.900 62.292 -0.392 18840 1858 1 6 . 1 1 517 517 ILE CB C 517 35.256 35.256 37.773 -2.517 18840 1859 1 6 . 1 1 517 517 ILE H H 517 9.347 9.347 7.616 1.731 18840 1860 1 6 . 1 1 518 518 CYS N N 518 118.774 118.774 116.143 2.631 18840 1861 1 6 . 1 1 518 518 CYS HA H 518 4.772 4.772 4.404 0.368 18840 1862 1 6 . 1 1 518 518 CYS C C 518 176.883 176.883 175.973 0.910 18840 1863 1 6 . 1 1 518 518 CYS CA C 518 59.309 59.309 58.537 0.772 18840 1864 1 6 . 1 1 518 518 CYS CB C 518 31.994 31.994 28.452 3.542 18840 1865 1 6 . 1 1 518 518 CYS H H 518 8.564 8.564 8.127 0.437 18840 1866 1 6 . 1 1 519 519 SER N N 519 116.362 116.362 115.236 1.126 18840 1867 1 6 . 1 1 519 519 SER HA H 519 4.403 4.403 4.153 0.250 18840 1868 1 6 . 1 1 519 519 SER C C 519 174.258 174.258 173.875 0.383 18840 1869 1 6 . 1 1 519 519 SER CA C 519 60.236 60.236 59.519 0.717 18840 1870 1 6 . 1 1 519 519 SER CB C 519 62.727 62.727 61.599 1.128 18840 1871 1 6 . 1 1 519 519 SER H H 519 7.619 7.619 8.549 -0.930 18840 1872 1 6 . 1 1 520 520 SER N N 520 113.506 113.506 114.052 -0.546 18840 1873 1 6 . 1 1 520 520 SER HA H 520 4.832 4.832 4.585 0.247 18840 1874 1 6 . 1 1 520 520 SER C C 520 172.953 172.953 173.409 -0.456 18840 1875 1 6 . 1 1 520 520 SER CA C 520 58.849 58.849 59.273 -0.424 18840 1876 1 6 . 1 1 520 520 SER CB C 520 65.701 65.701 65.074 0.627 18840 1877 1 6 . 1 1 520 520 SER H H 520 8.328 8.328 8.026 0.302 18840 1878 1 6 . 1 1 521 521 GLN N N 521 118.652 118.652 118.854 -0.202 18840 1879 1 6 . 1 1 521 521 GLN HA H 521 4.932 4.932 4.774 0.158 18840 1880 1 6 . 1 1 521 521 GLN CA C 521 52.845 52.845 53.354 -0.509 18840 1881 1 6 . 1 1 521 521 GLN CB C 521 30.606 30.606 31.565 -0.959 18840 1882 1 6 . 1 1 521 521 GLN H H 521 7.416 7.416 7.750 -0.334 18840 1883 1 6 . 1 1 522 522 PRO HA H 522 4.415 4.415 4.787 -0.372 18840 1884 1 6 . 1 1 522 522 PRO C C 522 175.086 175.086 176.951 -1.865 18840 1885 1 6 . 1 1 522 522 PRO CA C 522 63.782 63.782 62.429 1.353 18840 1886 1 6 . 1 1 522 522 PRO CB C 522 32.536 32.536 32.277 0.259 18840 1887 1 6 . 1 1 523 523 GLY N N 523 110.217 110.217 110.583 -0.366 18840 1888 1 6 . 1 1 523 523 GLY CA C 523 46.095 46.095 43.050 3.045 18840 1889 1 6 . 1 1 523 523 GLY H H 523 8.909 8.909 8.058 0.851 18840 1890 1 6 . 1 1 524 524 PRO HA H 524 4.457 4.457 4.246 0.211 18840 1891 1 6 . 1 1 524 524 PRO C C 524 176.040 176.040 176.195 -0.155 18840 1892 1 6 . 1 1 524 524 PRO CA C 524 63.115 63.115 63.666 -0.551 18840 1893 1 6 . 1 1 524 524 PRO CB C 524 32.830 32.830 32.029 0.801 18840 1894 1 6 . 1 1 525 525 PHE N N 525 116.223 116.223 118.693 -2.470 18840 1895 1 6 . 1 1 525 525 PHE HA H 525 5.039 5.039 4.664 0.375 18840 1896 1 6 . 1 1 525 525 PHE C C 525 174.437 174.437 174.503 -0.066 18840 1897 1 6 . 1 1 525 525 PHE CA C 525 56.080 56.080 56.886 -0.806 18840 1898 1 6 . 1 1 525 525 PHE CB C 525 39.780 39.780 41.018 -1.238 18840 1899 1 6 . 1 1 525 525 PHE H H 525 8.148 8.148 7.708 0.440 18840 1900 1 6 . 1 1 526 526 PHE N N 526 125.861 125.861 123.991 1.870 18840 1901 1 6 . 1 1 526 526 PHE HA H 526 5.102 5.102 5.486 -0.384 18840 1902 1 6 . 1 1 526 526 PHE C C 526 175.221 175.221 173.868 1.353 18840 1903 1 6 . 1 1 526 526 PHE CA C 526 56.865 56.865 56.431 0.434 18840 1904 1 6 . 1 1 526 526 PHE CB C 526 41.661 41.661 42.414 -0.753 18840 1905 1 6 . 1 1 526 526 PHE H H 526 9.522 9.522 8.801 0.721 18840 1906 1 6 . 1 1 527 527 CYS N N 527 128.663 128.663 128.468 0.195 18840 1907 1 6 . 1 1 527 527 CYS HA H 527 4.931 4.931 5.054 -0.123 18840 1908 1 6 . 1 1 527 527 CYS C C 527 174.052 174.052 174.211 -0.159 18840 1909 1 6 . 1 1 527 527 CYS CA C 527 58.267 58.267 56.703 1.564 18840 1910 1 6 . 1 1 527 527 CYS CB C 527 31.075 31.075 30.217 0.858 18840 1911 1 6 . 1 1 527 527 CYS H H 527 7.723 7.723 8.282 -0.559 18840 1912 1 6 . 1 1 528 528 ARG N N 528 125.354 125.354 125.931 -0.577 18840 1913 1 6 . 1 1 528 528 ARG HA H 528 4.148 4.148 4.384 -0.236 18840 1914 1 6 . 1 1 528 528 ARG C C 528 175.406 175.406 175.878 -0.472 18840 1915 1 6 . 1 1 528 528 ARG CA C 528 55.971 55.971 55.854 0.117 18840 1916 1 6 . 1 1 528 528 ARG CB C 528 31.165 31.165 29.926 1.239 18840 1917 1 6 . 1 1 528 528 ARG H H 528 8.866 8.866 8.538 0.328 18840 1918 1 6 . 1 1 529 529 ASP N N 529 124.001 124.001 121.923 2.078 18840 1919 1 6 . 1 1 529 529 ASP HA H 529 4.203 4.203 4.486 -0.283 18840 1920 1 6 . 1 1 529 529 ASP C C 529 178.105 178.105 177.458 0.647 18840 1921 1 6 . 1 1 529 529 ASP CA C 529 56.288 56.288 54.608 1.680 18840 1922 1 6 . 1 1 529 529 ASP CB C 529 43.574 43.574 41.950 1.623 18840 1923 1 6 . 1 1 529 529 ASP H H 529 8.198 8.198 7.465 0.733 18840 1924 1 6 . 1 1 530 530 GLN N N 530 125.372 125.372 124.652 0.720 18840 1925 1 6 . 1 1 530 530 GLN HA H 530 3.894 3.894 4.052 -0.158 18840 1926 1 6 . 1 1 530 530 GLN C C 530 177.471 177.471 176.827 0.644 18840 1927 1 6 . 1 1 530 530 GLN CA C 530 59.159 59.159 58.266 0.893 18840 1928 1 6 . 1 1 530 530 GLN CB C 530 28.731 28.731 28.957 -0.226 18840 1929 1 6 . 1 1 530 530 GLN H H 530 8.746 8.746 8.721 0.025 18840 1930 1 6 . 1 1 531 531 VAL N N 531 113.137 113.137 118.301 -5.164 18840 1931 1 6 . 1 1 531 531 VAL HA H 531 4.282 4.282 3.854 0.428 18840 1932 1 6 . 1 1 531 531 VAL C C 531 176.295 176.295 177.337 -1.042 18840 1933 1 6 . 1 1 531 531 VAL CA C 531 63.324 63.324 65.311 -1.987 18840 1934 1 6 . 1 1 531 531 VAL CB C 531 31.457 31.457 32.088 -0.631 18840 1935 1 6 . 1 1 531 531 VAL H H 531 8.659 8.659 8.995 -0.336 18840 1936 1 6 . 1 1 532 532 CYS N N 532 121.034 121.034 117.632 3.402 18840 1937 1 6 . 1 1 532 532 CYS HA H 532 4.568 4.568 4.836 -0.268 18840 1938 1 6 . 1 1 532 532 CYS C C 532 172.994 172.994 175.145 -2.151 18840 1939 1 6 . 1 1 532 532 CYS CA C 532 60.437 60.437 60.787 -0.350 18840 1940 1 6 . 1 1 532 532 CYS CB C 532 31.856 31.856 28.863 2.993 18840 1941 1 6 . 1 1 532 532 CYS H H 532 8.023 8.023 7.583 0.440 18840 1942 1 6 . 1 1 533 533 PHE N N 533 129.389 129.389 119.503 9.886 18840 1943 1 6 . 1 1 533 533 PHE HA H 533 4.197 4.197 4.243 -0.046 18840 1944 1 6 . 1 1 533 533 PHE C C 533 174.830 174.830 174.206 0.624 18840 1945 1 6 . 1 1 533 533 PHE CA C 533 59.754 59.754 59.206 0.548 18840 1946 1 6 . 1 1 533 533 PHE CB C 533 38.260 38.260 37.288 0.972 18840 1947 1 6 . 1 1 533 533 PHE H H 533 7.928 7.928 8.253 -0.325 18840 1948 1 6 . 1 1 534 534 LYS N N 534 113.676 113.676 117.007 -3.331 18840 1949 1 6 . 1 1 534 534 LYS HA H 534 4.466 4.466 4.672 -0.206 18840 1950 1 6 . 1 1 534 534 LYS C C 534 173.055 173.055 174.430 -1.375 18840 1951 1 6 . 1 1 534 534 LYS CA C 534 54.068 54.068 54.055 0.013 18840 1952 1 6 . 1 1 534 534 LYS CB C 534 37.800 37.800 37.101 0.699 18840 1953 1 6 . 1 1 534 534 LYS H H 534 6.430 6.430 7.646 -1.216 18840 1954 1 6 . 1 1 535 535 TYR N N 535 117.686 117.686 117.997 -0.311 18840 1955 1 6 . 1 1 535 535 TYR HA H 535 5.165 5.165 5.488 -0.323 18840 1956 1 6 . 1 1 535 535 TYR C C 535 175.888 175.888 175.556 0.332 18840 1957 1 6 . 1 1 535 535 TYR CA C 535 58.593 58.593 57.078 1.515 18840 1958 1 6 . 1 1 535 535 TYR CB C 535 40.020 40.020 40.009 0.011 18840 1959 1 6 . 1 1 535 535 TYR H H 535 7.145 7.145 8.090 -0.945 18840 1960 1 6 . 1 1 536 536 PHE N N 536 117.497 117.497 117.985 -0.488 18840 1961 1 6 . 1 1 536 536 PHE HA H 536 6.399 6.399 5.195 1.204 18840 1962 1 6 . 1 1 536 536 PHE C C 536 177.127 177.127 175.315 1.812 18840 1963 1 6 . 1 1 536 536 PHE CA C 536 57.056 57.056 56.784 0.272 18840 1964 1 6 . 1 1 536 536 PHE CB C 536 45.217 45.217 43.946 1.271 18840 1965 1 6 . 1 1 536 536 PHE H H 536 9.608 9.608 9.189 0.419 18840 1966 1 6 . 1 1 537 537 CYS N N 537 119.624 119.624 120.321 -0.697 18840 1967 1 6 . 1 1 537 537 CYS HA H 537 5.499 5.499 5.060 0.439 18840 1968 1 6 . 1 1 537 537 CYS C C 537 176.128 176.128 176.399 -0.271 18840 1969 1 6 . 1 1 537 537 CYS CA C 537 58.097 58.097 58.042 0.055 18840 1970 1 6 . 1 1 537 537 CYS CB C 537 32.306 32.306 29.938 2.368 18840 1971 1 6 . 1 1 537 537 CYS H H 537 9.777 9.777 9.139 0.638 18840 1972 1 6 . 1 1 538 538 ARG N N 538 120.573 120.573 121.752 -1.179 18840 1973 1 6 . 1 1 538 538 ARG HA H 538 3.791 3.791 4.092 -0.301 18840 1974 1 6 . 1 1 538 538 ARG C C 538 178.403 178.403 178.055 0.348 18840 1975 1 6 . 1 1 538 538 ARG CA C 538 60.937 60.937 60.218 0.719 18840 1976 1 6 . 1 1 538 538 ARG CB C 538 30.392 30.392 29.394 0.998 18840 1977 1 6 . 1 1 538 538 ARG H H 538 9.375 9.375 9.061 0.314 18840 1978 1 6 . 1 1 539 539 SER N N 539 114.562 114.562 115.254 -0.692 18840 1979 1 6 . 1 1 539 539 SER HA H 539 4.491 4.491 4.512 -0.021 18840 1980 1 6 . 1 1 539 539 SER C C 539 178.610 178.610 176.476 2.134 18840 1981 1 6 . 1 1 539 539 SER CA C 539 62.159 62.159 61.742 0.417 18840 1982 1 6 . 1 1 539 539 SER CB C 539 62.934 62.934 63.150 -0.216 18840 1983 1 6 . 1 1 539 539 SER H H 539 8.549 8.549 8.766 -0.217 18840 1984 1 6 . 1 1 540 540 CYS N N 540 126.990 126.990 121.430 5.560 18840 1985 1 6 . 1 1 540 540 CYS HA H 540 4.454 4.454 4.676 -0.222 18840 1986 1 6 . 1 1 540 540 CYS C C 540 178.546 178.546 177.101 1.445 18840 1987 1 6 . 1 1 540 540 CYS CA C 540 65.024 65.024 61.741 3.283 18840 1988 1 6 . 1 1 540 540 CYS CB C 540 30.747 30.747 26.824 3.923 18840 1989 1 6 . 1 1 540 540 CYS H H 540 9.534 9.534 8.393 1.141 18840 1990 1 6 . 1 1 541 541 TRP N N 541 121.037 121.037 122.293 -1.256 18840 1991 1 6 . 1 1 541 541 TRP HA H 541 3.319 3.319 4.182 -0.863 18840 1992 1 6 . 1 1 541 541 TRP C C 541 179.671 179.671 177.623 2.048 18840 1993 1 6 . 1 1 541 541 TRP CA C 541 62.783 62.783 60.958 1.825 18840 1994 1 6 . 1 1 541 541 TRP CB C 541 27.747 27.747 29.012 -1.266 18840 1995 1 6 . 1 1 541 541 TRP H H 541 9.632 9.632 9.063 0.569 18840 1996 1 6 . 1 1 542 542 HIS N N 542 119.251 119.251 120.553 -1.302 18840 1997 1 6 . 1 1 542 542 HIS HA H 542 4.330 4.330 4.262 0.068 18840 1998 1 6 . 1 1 542 542 HIS C C 542 177.291 177.291 177.448 -0.157 18840 1999 1 6 . 1 1 542 542 HIS CA C 542 59.909 59.909 60.942 -1.033 18840 2000 1 6 . 1 1 542 542 HIS CB C 542 30.594 30.594 30.187 0.407 18840 2001 1 6 . 1 1 542 542 HIS H H 542 8.073 8.073 7.963 0.110 18840 2002 1 6 . 1 1 543 543 TRP N N 543 121.212 121.212 121.690 -0.478 18840 2003 1 6 . 1 1 543 543 TRP HA H 543 4.231 4.231 4.231 0.000 18840 2004 1 6 . 1 1 543 543 TRP C C 543 178.256 178.256 177.682 0.574 18840 2005 1 6 . 1 1 543 543 TRP CA C 543 60.959 60.959 61.532 -0.573 18840 2006 1 6 . 1 1 543 543 TRP CB C 543 28.593 28.593 29.420 -0.827 18840 2007 1 6 . 1 1 543 543 TRP H H 543 8.200 8.200 8.440 -0.240 18840 2008 1 6 . 1 1 544 544 ARG N N 544 118.044 118.044 117.994 0.050 18840 2009 1 6 . 1 1 544 544 ARG HA H 544 3.199 3.199 3.444 -0.245 18840 2010 1 6 . 1 1 544 544 ARG C C 544 176.093 176.093 178.389 -2.296 18840 2011 1 6 . 1 1 544 544 ARG CA C 544 57.149 57.149 57.910 -0.761 18840 2012 1 6 . 1 1 544 544 ARG CB C 544 29.942 29.942 29.315 0.627 18840 2013 1 6 . 1 1 544 544 ARG H H 544 8.194 8.194 8.078 0.116 18840 2014 1 6 . 1 1 545 545 HIS N N 545 109.049 109.049 115.378 -6.329 18840 2015 1 6 . 1 1 545 545 HIS HA H 545 3.781 3.781 4.185 -0.404 18840 2016 1 6 . 1 1 545 545 HIS C C 545 173.247 173.247 175.942 -2.695 18840 2017 1 6 . 1 1 545 545 HIS CA C 545 58.848 58.848 57.047 1.801 18840 2018 1 6 . 1 1 545 545 HIS CB C 545 25.314 25.314 28.820 -3.506 18840 2019 1 6 . 1 1 545 545 HIS H H 545 7.410 7.410 7.815 -0.405 18840 2020 1 6 . 1 1 546 546 SER N N 546 112.353 112.353 114.232 -1.879 18840 2021 1 6 . 1 1 546 546 SER HA H 546 4.336 4.336 4.080 0.256 18840 2022 1 6 . 1 1 546 546 SER C C 546 174.714 174.714 174.386 0.328 18840 2023 1 6 . 1 1 546 546 SER CA C 546 59.042 59.042 59.971 -0.929 18840 2024 1 6 . 1 1 546 546 SER CB C 546 63.464 63.464 63.079 0.385 18840 2025 1 6 . 1 1 546 546 SER H H 546 6.948 6.948 7.254 -0.306 18840 2026 1 6 . 1 1 547 547 MET N N 547 121.366 121.366 121.065 0.301 18840 2027 1 6 . 1 1 547 547 MET HA H 547 4.188 4.188 4.203 -0.015 18840 2028 1 6 . 1 1 547 547 MET C C 547 175.421 175.421 176.073 -0.652 18840 2029 1 6 . 1 1 547 547 MET CA C 547 55.504 55.504 53.891 1.613 18840 2030 1 6 . 1 1 547 547 MET CB C 547 33.318 33.318 32.338 0.980 18840 2031 1 6 . 1 1 547 547 MET H H 547 6.821 6.821 7.035 -0.214 18840 2032 1 6 . 1 1 548 548 GLU N N 548 122.898 122.898 123.668 -0.770 18840 2033 1 6 . 1 1 548 548 GLU HA H 548 3.807 3.807 4.095 -0.288 18840 2034 1 6 . 1 1 548 548 GLU C C 548 176.918 176.918 177.098 -0.180 18840 2035 1 6 . 1 1 548 548 GLU CA C 548 58.746 58.746 57.705 1.041 18840 2036 1 6 . 1 1 548 548 GLU CB C 548 29.505 29.505 29.687 -0.182 18840 2037 1 6 . 1 1 548 548 GLU H H 548 8.515 8.515 8.426 0.089 18840 2038 1 6 . 1 1 549 549 GLY N N 549 112.898 112.898 109.734 3.164 18840 2039 1 6 . 1 1 549 549 GLY C C 549 174.645 174.645 174.625 0.020 18840 2040 1 6 . 1 1 549 549 GLY CA C 549 45.411 45.411 45.209 0.202 18840 2041 1 6 . 1 1 549 549 GLY H H 549 8.950 8.950 8.739 0.211 18840 2042 1 6 . 1 1 550 550 LEU N N 550 118.164 118.164 119.284 -1.120 18840 2043 1 6 . 1 1 550 550 LEU HA H 550 3.928 3.928 4.357 -0.429 18840 2044 1 6 . 1 1 550 550 LEU C C 550 177.030 177.030 177.431 -0.401 18840 2045 1 6 . 1 1 550 550 LEU CA C 550 54.291 54.291 53.819 0.472 18840 2046 1 6 . 1 1 550 550 LEU CB C 550 42.968 42.968 41.315 1.653 18840 2047 1 6 . 1 1 550 550 LEU H H 550 7.702 7.702 7.291 0.411 18840 2048 1 6 . 1 1 551 551 ARG N N 551 115.914 115.914 119.672 -3.758 18840 2049 1 6 . 1 1 551 551 ARG HA H 551 4.405 4.405 4.081 0.324 18840 2050 1 6 . 1 1 551 551 ARG C C 551 177.206 177.206 177.019 0.187 18840 2051 1 6 . 1 1 551 551 ARG CA C 551 58.406 58.406 58.326 0.080 18840 2052 1 6 . 1 1 551 551 ARG CB C 551 30.360 30.360 29.823 0.537 18840 2053 1 6 . 1 1 551 551 ARG H H 551 7.299 7.299 8.293 -0.994 18840 2054 1 6 . 1 1 552 552 HIS N N 552 113.766 113.766 114.260 -0.494 18840 2055 1 6 . 1 1 552 552 HIS HA H 552 4.692 4.692 4.669 0.023 18840 2056 1 6 . 1 1 552 552 HIS C C 552 175.959 175.959 175.197 0.762 18840 2057 1 6 . 1 1 552 552 HIS CA C 552 56.223 56.223 55.757 0.466 18840 2058 1 6 . 1 1 552 552 HIS CB C 552 30.228 30.228 29.462 0.766 18840 2059 1 6 . 1 1 552 552 HIS H H 552 8.480 8.480 8.160 0.320 18840 2060 1 6 . 1 1 553 553 HIS N N 553 122.502 122.502 121.095 1.407 18840 2061 1 6 . 1 1 553 553 HIS HA H 553 4.459 4.459 4.437 0.022 18840 2062 1 6 . 1 1 553 553 HIS C C 553 174.820 174.820 174.622 0.198 18840 2063 1 6 . 1 1 553 553 HIS CA C 553 55.553 55.553 56.222 -0.669 18840 2064 1 6 . 1 1 553 553 HIS CB C 553 31.320 31.320 30.422 0.898 18840 2065 1 6 . 1 1 553 553 HIS H H 553 6.954 6.954 7.413 -0.459 18840 2066 1 6 . 1 1 554 554 SER N N 554 117.586 117.586 116.217 1.369 18840 2067 1 6 . 1 1 554 554 SER HA H 554 5.128 5.128 4.878 0.250 18840 2068 1 6 . 1 1 554 554 SER CA C 554 55.199 55.199 55.414 -0.215 18840 2069 1 6 . 1 1 554 554 SER CB C 554 64.833 64.833 65.298 -0.465 18840 2070 1 6 . 1 1 554 554 SER H H 554 8.668 8.668 8.233 0.435 18840 2071 1 6 . 1 1 555 555 PRO HA H 555 4.296 4.296 4.428 -0.132 18840 2072 1 6 . 1 1 555 555 PRO C C 555 176.447 176.447 176.370 0.077 18840 2073 1 6 . 1 1 555 555 PRO CA C 555 63.029 63.029 62.110 0.919 18840 2074 1 6 . 1 1 555 555 PRO CB C 555 31.779 31.779 31.644 0.135 18840 2075 1 6 . 1 1 556 556 LEU N N 556 123.469 123.469 125.520 -2.051 18840 2076 1 6 . 1 1 556 556 LEU HA H 556 4.788 4.788 4.409 0.379 18840 2077 1 6 . 1 1 556 556 LEU C C 556 176.176 176.176 177.384 -1.208 18840 2078 1 6 . 1 1 556 556 LEU CA C 556 54.247 54.247 54.431 -0.184 18840 2079 1 6 . 1 1 556 556 LEU CB C 556 44.237 44.237 42.863 1.374 18840 2080 1 6 . 1 1 556 556 LEU H H 556 8.802 8.802 7.948 0.854 18840 2081 1 6 . 1 1 557 557 MET N N 557 122.362 122.362 120.982 1.380 18840 2082 1 6 . 1 1 557 557 MET HA H 557 4.983 4.983 4.475 0.508 18840 2083 1 6 . 1 1 557 557 MET C C 557 175.983 175.983 176.205 -0.222 18840 2084 1 6 . 1 1 557 557 MET CA C 557 54.641 54.641 54.681 -0.040 18840 2085 1 6 . 1 1 557 557 MET CB C 557 34.181 34.181 31.978 2.203 18840 2086 1 6 . 1 1 557 557 MET H H 557 8.624 8.624 8.231 0.393 18840 2087 1 6 . 1 1 558 558 ARG N N 558 123.450 123.450 124.572 -1.122 18840 2088 1 6 . 1 1 558 558 ARG HA H 558 4.302 4.302 4.332 -0.030 18840 2089 1 6 . 1 1 558 558 ARG CA C 558 56.545 56.545 56.101 0.444 18840 2090 1 6 . 1 1 558 558 ARG CB C 558 31.139 31.139 31.005 0.134 18840 2091 1 6 . 1 1 558 558 ARG H H 558 8.901 8.901 8.510 0.391 18840 2092 1 6 . 1 1 559 559 ASN HA H 559 4.642 4.642 4.606 0.036 18840 2093 1 6 . 1 1 559 559 ASN CA C 559 53.286 53.286 53.784 -0.498 18840 2094 1 6 . 1 1 559 559 ASN CB C 559 38.877 38.877 39.477 -0.600 18840 2095 1 6 . 1 1 560 560 GLN N N 560 121.173 121.173 121.978 -0.805 18840 2096 1 6 . 1 1 560 560 GLN HA H 560 4.308 4.308 4.457 -0.149 18840 2097 1 6 . 1 1 560 560 GLN C C 560 175.883 175.883 174.516 1.367 18840 2098 1 6 . 1 1 560 560 GLN CA C 560 56.023 56.023 55.000 1.023 18840 2099 1 6 . 1 1 560 560 GLN CB C 560 29.702 29.702 31.101 -1.399 18840 2100 1 6 . 1 1 560 560 GLN H H 560 8.284 8.284 8.385 -0.101 18840 2101 1 6 . 1 1 561 561 LYS N N 561 122.223 122.223 122.683 -0.460 18840 2102 1 6 . 1 1 561 561 LYS HA H 561 4.267 4.267 4.318 -0.051 18840 2103 1 6 . 1 1 561 561 LYS C C 561 176.349 176.349 176.033 0.316 18840 2104 1 6 . 1 1 561 561 LYS CA C 561 56.659 56.659 56.812 -0.153 18840 2105 1 6 . 1 1 561 561 LYS CB C 561 32.966 32.966 32.710 0.256 18840 2106 1 6 . 1 1 561 561 LYS H H 561 8.350 8.350 8.448 -0.098 18840 2107 1 6 . 1 1 562 562 ASN N N 562 119.683 119.683 120.012 -0.329 18840 2108 1 6 . 1 1 562 562 ASN HA H 562 4.681 4.681 4.908 -0.227 18840 2109 1 6 . 1 1 562 562 ASN C C 562 175.298 175.298 173.700 1.598 18840 2110 1 6 . 1 1 562 562 ASN CA C 562 53.375 53.375 52.858 0.516 18840 2111 1 6 . 1 1 562 562 ASN CB C 562 38.920 38.920 39.919 -0.999 18840 2112 1 6 . 1 1 562 562 ASN H H 562 8.440 8.440 8.516 -0.076 18840 2113 1 6 . 1 1 563 563 ARG N N 563 121.405 121.405 122.686 -1.281 18840 2114 1 6 . 1 1 563 563 ARG HA H 563 4.315 4.315 4.481 -0.166 18840 2115 1 6 . 1 1 563 563 ARG C C 563 176.088 176.088 174.130 1.958 18840 2116 1 6 . 1 1 563 563 ARG CA C 563 56.489 56.489 55.621 0.868 18840 2117 1 6 . 1 1 563 563 ARG CB C 563 30.775 30.775 31.993 -1.218 18840 2118 1 6 . 1 1 563 563 ARG H H 563 8.333 8.333 8.509 -0.176 18840 2119 1 6 . 1 1 564 564 ASP N N 564 121.203 121.203 122.740 -1.537 18840 2120 1 6 . 1 1 564 564 ASP HA H 564 4.667 4.667 4.714 -0.047 18840 2121 1 6 . 1 1 564 564 ASP C C 564 176.148 176.148 175.546 0.602 18840 2122 1 6 . 1 1 564 564 ASP CA C 564 54.597 54.597 54.617 -0.020 18840 2123 1 6 . 1 1 564 564 ASP CB C 564 41.249 41.249 41.655 -0.406 18840 2124 1 6 . 1 1 564 564 ASP H H 564 8.387 8.387 8.490 -0.103 18840 2125 1 6 . 1 1 565 565 SER N N 565 116.058 116.058 117.662 -1.604 18840 2126 1 6 . 1 1 565 565 SER HA H 565 4.528 4.528 4.730 -0.202 18840 2127 1 6 . 1 1 565 565 SER C C 565 173.755 173.755 172.882 0.873 18840 2128 1 6 . 1 1 565 565 SER CA C 565 58.266 58.266 57.911 0.355 18840 2129 1 6 . 1 1 565 565 SER CB C 565 64.077 64.077 64.042 0.035 18840 2130 1 6 . 1 1 565 565 SER H H 565 8.186 8.186 8.432 -0.246 18840 2131 1 7 . 1 1 503 503 PRO HA H 503 4.533 4.533 4.498 0.035 18840 2132 1 7 . 1 1 503 503 PRO C C 503 176.777 176.777 176.337 0.440 18840 2133 1 7 . 1 1 503 503 PRO CA C 503 62.962 62.962 62.804 0.158 18840 2134 1 7 . 1 1 503 503 PRO CB C 503 32.403 32.403 30.398 2.006 18840 2135 1 7 . 1 1 504 504 VAL N N 504 120.734 120.734 120.245 0.489 18840 2136 1 7 . 1 1 504 504 VAL HA H 504 4.102 4.102 3.737 0.365 18840 2137 1 7 . 1 1 504 504 VAL C C 504 175.887 175.887 174.658 1.229 18840 2138 1 7 . 1 1 504 504 VAL CA C 504 62.483 62.483 63.407 -0.924 18840 2139 1 7 . 1 1 504 504 VAL CB C 504 32.864 32.864 31.793 1.071 18840 2140 1 7 . 1 1 504 504 VAL H H 504 8.290 8.290 8.204 0.086 18840 2141 1 7 . 1 1 505 505 GLN N N 505 125.069 125.069 123.725 1.344 18840 2142 1 7 . 1 1 505 505 GLN HA H 505 4.430 4.430 4.627 -0.197 18840 2143 1 7 . 1 1 505 505 GLN C C 505 175.207 175.207 173.873 1.334 18840 2144 1 7 . 1 1 505 505 GLN CA C 505 55.476 55.476 54.799 0.677 18840 2145 1 7 . 1 1 505 505 GLN CB C 505 29.918 29.918 30.221 -0.303 18840 2146 1 7 . 1 1 505 505 GLN H H 505 8.450 8.450 8.098 0.352 18840 2147 1 7 . 1 1 506 506 ILE N N 506 123.121 123.121 118.534 4.587 18840 2148 1 7 . 1 1 506 506 ILE HA H 506 4.303 4.303 4.335 -0.032 18840 2149 1 7 . 1 1 506 506 ILE C C 506 175.607 175.607 174.746 0.861 18840 2150 1 7 . 1 1 506 506 ILE CA C 506 60.346 60.346 61.133 -0.787 18840 2151 1 7 . 1 1 506 506 ILE CB C 506 39.046 39.046 38.482 0.564 18840 2152 1 7 . 1 1 506 506 ILE H H 506 8.259 8.259 8.234 0.025 18840 2153 1 7 . 1 1 507 507 ASP N N 507 126.258 126.258 124.093 2.165 18840 2154 1 7 . 1 1 507 507 ASP HA H 507 4.909 4.909 4.822 0.087 18840 2155 1 7 . 1 1 507 507 ASP CA C 507 51.929 51.929 52.467 -0.538 18840 2156 1 7 . 1 1 507 507 ASP CB C 507 41.712 41.712 42.956 -1.244 18840 2157 1 7 . 1 1 507 507 ASP H H 507 8.419 8.419 7.752 0.667 18840 2158 1 7 . 1 1 508 508 PRO HA H 508 4.304 4.304 4.198 0.106 18840 2159 1 7 . 1 1 508 508 PRO C C 508 176.539 176.539 175.438 1.101 18840 2160 1 7 . 1 1 508 508 PRO CA C 508 63.271 63.271 62.360 0.911 18840 2161 1 7 . 1 1 508 508 PRO CB C 508 32.117 32.117 33.011 -0.894 18840 2162 1 7 . 1 1 509 509 TYR N N 509 119.278 119.278 118.015 1.263 18840 2163 1 7 . 1 1 509 509 TYR HA H 509 4.486 4.486 4.500 -0.014 18840 2164 1 7 . 1 1 509 509 TYR C C 509 175.814 175.814 176.047 -0.233 18840 2165 1 7 . 1 1 509 509 TYR CA C 509 57.945 57.945 59.184 -1.239 18840 2166 1 7 . 1 1 509 509 TYR CB C 509 37.723 37.723 39.110 -1.387 18840 2167 1 7 . 1 1 509 509 TYR H H 509 8.218 8.218 8.230 -0.012 18840 2168 1 7 . 1 1 510 510 LEU N N 510 122.827 122.827 118.433 4.394 18840 2169 1 7 . 1 1 510 510 LEU HA H 510 4.254 4.254 4.611 -0.357 18840 2170 1 7 . 1 1 510 510 LEU C C 510 176.689 176.689 177.384 -0.695 18840 2171 1 7 . 1 1 510 510 LEU CA C 510 54.934 54.934 54.153 0.781 18840 2172 1 7 . 1 1 510 510 LEU CB C 510 42.647 42.647 44.604 -1.957 18840 2173 1 7 . 1 1 510 510 LEU H H 510 7.655 7.655 7.698 -0.043 18840 2174 1 7 . 1 1 511 511 GLU N N 511 120.110 120.110 123.495 -3.385 18840 2175 1 7 . 1 1 511 511 GLU HA H 511 4.234 4.234 4.159 0.075 18840 2176 1 7 . 1 1 511 511 GLU CA C 511 55.912 55.912 58.391 -2.479 18840 2177 1 7 . 1 1 511 511 GLU CB C 511 31.398 31.398 29.775 1.623 18840 2178 1 7 . 1 1 511 511 GLU H H 511 8.223 8.223 8.841 -0.618 18840 2179 1 7 . 1 1 512 512 ASP N N 512 120.430 120.430 118.504 1.926 18840 2180 1 7 . 1 1 512 512 ASP HA H 512 4.439 4.439 4.691 -0.252 18840 2181 1 7 . 1 1 512 512 ASP C C 512 175.742 175.742 175.254 0.488 18840 2182 1 7 . 1 1 512 512 ASP CA C 512 54.405 54.405 53.772 0.633 18840 2183 1 7 . 1 1 512 512 ASP CB C 512 40.977 40.977 40.954 0.023 18840 2184 1 7 . 1 1 512 512 ASP H H 512 8.258 8.258 8.236 0.022 18840 2185 1 7 . 1 1 513 513 SER N N 513 116.712 116.712 116.727 -0.015 18840 2186 1 7 . 1 1 513 513 SER HA H 513 4.282 4.282 4.484 -0.202 18840 2187 1 7 . 1 1 513 513 SER C C 513 174.628 174.628 173.419 1.209 18840 2188 1 7 . 1 1 513 513 SER CA C 513 57.783 57.783 57.234 0.549 18840 2189 1 7 . 1 1 513 513 SER CB C 513 64.481 64.481 63.156 1.325 18840 2190 1 7 . 1 1 513 513 SER H H 513 8.004 8.004 7.519 0.485 18840 2191 1 7 . 1 1 514 514 LEU N N 514 124.291 124.291 126.731 -2.440 18840 2192 1 7 . 1 1 514 514 LEU HA H 514 4.360 4.360 4.444 -0.084 18840 2193 1 7 . 1 1 514 514 LEU C C 514 176.422 176.422 176.243 0.179 18840 2194 1 7 . 1 1 514 514 LEU CA C 514 54.896 54.896 53.965 0.931 18840 2195 1 7 . 1 1 514 514 LEU CB C 514 43.711 43.711 43.056 0.655 18840 2196 1 7 . 1 1 514 514 LEU H H 514 8.248 8.248 8.346 -0.098 18840 2197 1 7 . 1 1 515 515 CYS N N 515 121.802 121.802 123.837 -2.035 18840 2198 1 7 . 1 1 515 515 CYS HA H 515 3.818 3.818 4.402 -0.584 18840 2199 1 7 . 1 1 515 515 CYS C C 515 177.418 177.418 176.144 1.274 18840 2200 1 7 . 1 1 515 515 CYS CA C 515 60.542 60.542 59.297 1.245 18840 2201 1 7 . 1 1 515 515 CYS CB C 515 31.859 31.859 27.886 3.973 18840 2202 1 7 . 1 1 515 515 CYS H H 515 8.418 8.418 8.456 -0.038 18840 2203 1 7 . 1 1 516 516 HIS N N 516 129.671 129.671 126.065 3.606 18840 2204 1 7 . 1 1 516 516 HIS HA H 516 4.497 4.497 4.222 0.275 18840 2205 1 7 . 1 1 516 516 HIS C C 516 175.845 175.845 175.692 0.153 18840 2206 1 7 . 1 1 516 516 HIS CA C 516 58.672 58.672 59.053 -0.381 18840 2207 1 7 . 1 1 516 516 HIS CB C 516 31.910 31.910 29.900 2.010 18840 2208 1 7 . 1 1 516 516 HIS H H 516 9.149 9.149 8.331 0.818 18840 2209 1 7 . 1 1 517 517 ILE N N 517 121.766 121.766 117.240 4.526 18840 2210 1 7 . 1 1 517 517 ILE HA H 517 4.170 4.170 3.908 0.262 18840 2211 1 7 . 1 1 517 517 ILE C C 517 177.448 177.448 177.471 -0.023 18840 2212 1 7 . 1 1 517 517 ILE CA C 517 61.900 61.900 62.549 -0.649 18840 2213 1 7 . 1 1 517 517 ILE CB C 517 35.256 35.256 37.583 -2.327 18840 2214 1 7 . 1 1 517 517 ILE H H 517 9.347 9.347 7.636 1.711 18840 2215 1 7 . 1 1 518 518 CYS N N 518 118.774 118.774 115.491 3.283 18840 2216 1 7 . 1 1 518 518 CYS HA H 518 4.772 4.772 4.463 0.309 18840 2217 1 7 . 1 1 518 518 CYS C C 518 176.883 176.883 175.632 1.251 18840 2218 1 7 . 1 1 518 518 CYS CA C 518 59.309 59.309 59.001 0.308 18840 2219 1 7 . 1 1 518 518 CYS CB C 518 31.994 31.994 28.594 3.400 18840 2220 1 7 . 1 1 518 518 CYS H H 518 8.564 8.564 8.393 0.171 18840 2221 1 7 . 1 1 519 519 SER N N 519 116.362 116.362 113.687 2.675 18840 2222 1 7 . 1 1 519 519 SER HA H 519 4.403 4.403 4.077 0.326 18840 2223 1 7 . 1 1 519 519 SER C C 519 174.258 174.258 174.320 -0.062 18840 2224 1 7 . 1 1 519 519 SER CA C 519 60.236 60.236 60.083 0.153 18840 2225 1 7 . 1 1 519 519 SER CB C 519 62.727 62.727 61.849 0.878 18840 2226 1 7 . 1 1 519 519 SER H H 519 7.619 7.619 8.538 -0.919 18840 2227 1 7 . 1 1 520 520 SER N N 520 113.506 113.506 111.830 1.676 18840 2228 1 7 . 1 1 520 520 SER HA H 520 4.832 4.832 4.567 0.265 18840 2229 1 7 . 1 1 520 520 SER C C 520 172.953 172.953 174.040 -1.087 18840 2230 1 7 . 1 1 520 520 SER CA C 520 58.849 58.849 58.391 0.458 18840 2231 1 7 . 1 1 520 520 SER CB C 520 65.701 65.701 64.308 1.392 18840 2232 1 7 . 1 1 520 520 SER H H 520 8.328 8.328 8.144 0.184 18840 2233 1 7 . 1 1 521 521 GLN N N 521 118.652 118.652 119.823 -1.171 18840 2234 1 7 . 1 1 521 521 GLN HA H 521 4.932 4.932 4.826 0.106 18840 2235 1 7 . 1 1 521 521 GLN CA C 521 52.845 52.845 52.765 0.080 18840 2236 1 7 . 1 1 521 521 GLN CB C 521 30.606 30.606 31.893 -1.287 18840 2237 1 7 . 1 1 521 521 GLN H H 521 7.416 7.416 7.825 -0.409 18840 2238 1 7 . 1 1 522 522 PRO HA H 522 4.415 4.415 5.031 -0.616 18840 2239 1 7 . 1 1 522 522 PRO C C 522 175.086 175.086 176.632 -1.546 18840 2240 1 7 . 1 1 522 522 PRO CA C 522 63.782 63.782 62.203 1.579 18840 2241 1 7 . 1 1 522 522 PRO CB C 522 32.536 32.536 32.549 -0.013 18840 2242 1 7 . 1 1 523 523 GLY N N 523 110.217 110.217 109.113 1.104 18840 2243 1 7 . 1 1 523 523 GLY CA C 523 46.095 46.095 42.706 3.389 18840 2244 1 7 . 1 1 523 523 GLY H H 523 8.909 8.909 8.052 0.857 18840 2245 1 7 . 1 1 524 524 PRO HA H 524 4.457 4.457 4.119 0.338 18840 2246 1 7 . 1 1 524 524 PRO C C 524 176.040 176.040 176.017 0.023 18840 2247 1 7 . 1 1 524 524 PRO CA C 524 63.115 63.115 63.418 -0.303 18840 2248 1 7 . 1 1 524 524 PRO CB C 524 32.830 32.830 32.038 0.793 18840 2249 1 7 . 1 1 525 525 PHE N N 525 116.223 116.223 117.286 -1.063 18840 2250 1 7 . 1 1 525 525 PHE HA H 525 5.039 5.039 4.760 0.279 18840 2251 1 7 . 1 1 525 525 PHE C C 525 174.437 174.437 174.717 -0.280 18840 2252 1 7 . 1 1 525 525 PHE CA C 525 56.080 56.080 56.274 -0.194 18840 2253 1 7 . 1 1 525 525 PHE CB C 525 39.780 39.780 40.121 -0.341 18840 2254 1 7 . 1 1 525 525 PHE H H 525 8.148 8.148 7.217 0.931 18840 2255 1 7 . 1 1 526 526 PHE N N 526 125.861 125.861 124.453 1.408 18840 2256 1 7 . 1 1 526 526 PHE HA H 526 5.102 5.102 5.606 -0.504 18840 2257 1 7 . 1 1 526 526 PHE C C 526 175.221 175.221 174.082 1.139 18840 2258 1 7 . 1 1 526 526 PHE CA C 526 56.865 56.865 56.117 0.748 18840 2259 1 7 . 1 1 526 526 PHE CB C 526 41.661 41.661 42.630 -0.969 18840 2260 1 7 . 1 1 526 526 PHE H H 526 9.522 9.522 8.534 0.988 18840 2261 1 7 . 1 1 527 527 CYS N N 527 128.663 128.663 127.950 0.713 18840 2262 1 7 . 1 1 527 527 CYS HA H 527 4.931 4.931 5.134 -0.203 18840 2263 1 7 . 1 1 527 527 CYS C C 527 174.052 174.052 174.418 -0.366 18840 2264 1 7 . 1 1 527 527 CYS CA C 527 58.267 58.267 56.093 2.174 18840 2265 1 7 . 1 1 527 527 CYS CB C 527 31.075 31.075 29.845 1.230 18840 2266 1 7 . 1 1 527 527 CYS H H 527 7.723 7.723 8.449 -0.726 18840 2267 1 7 . 1 1 528 528 ARG N N 528 125.354 125.354 125.218 0.136 18840 2268 1 7 . 1 1 528 528 ARG HA H 528 4.148 4.148 4.519 -0.371 18840 2269 1 7 . 1 1 528 528 ARG C C 528 175.406 175.406 176.181 -0.775 18840 2270 1 7 . 1 1 528 528 ARG CA C 528 55.971 55.971 56.797 -0.826 18840 2271 1 7 . 1 1 528 528 ARG CB C 528 31.165 31.165 30.534 0.631 18840 2272 1 7 . 1 1 528 528 ARG H H 528 8.866 8.866 8.772 0.094 18840 2273 1 7 . 1 1 529 529 ASP N N 529 124.001 124.001 121.734 2.267 18840 2274 1 7 . 1 1 529 529 ASP HA H 529 4.203 4.203 4.464 -0.261 18840 2275 1 7 . 1 1 529 529 ASP C C 529 178.105 178.105 177.441 0.664 18840 2276 1 7 . 1 1 529 529 ASP CA C 529 56.288 56.288 54.489 1.799 18840 2277 1 7 . 1 1 529 529 ASP CB C 529 43.574 43.574 41.916 1.657 18840 2278 1 7 . 1 1 529 529 ASP H H 529 8.198 8.198 7.506 0.692 18840 2279 1 7 . 1 1 530 530 GLN N N 530 125.372 125.372 124.784 0.588 18840 2280 1 7 . 1 1 530 530 GLN HA H 530 3.894 3.894 4.014 -0.120 18840 2281 1 7 . 1 1 530 530 GLN C C 530 177.471 177.471 176.840 0.631 18840 2282 1 7 . 1 1 530 530 GLN CA C 530 59.159 59.159 58.323 0.836 18840 2283 1 7 . 1 1 530 530 GLN CB C 530 28.731 28.731 28.828 -0.097 18840 2284 1 7 . 1 1 530 530 GLN H H 530 8.746 8.746 8.646 0.100 18840 2285 1 7 . 1 1 531 531 VAL N N 531 113.137 113.137 118.346 -5.209 18840 2286 1 7 . 1 1 531 531 VAL HA H 531 4.282 4.282 3.791 0.491 18840 2287 1 7 . 1 1 531 531 VAL C C 531 176.295 176.295 176.507 -0.212 18840 2288 1 7 . 1 1 531 531 VAL CA C 531 63.324 63.324 65.665 -2.341 18840 2289 1 7 . 1 1 531 531 VAL CB C 531 31.457 31.457 32.205 -0.748 18840 2290 1 7 . 1 1 531 531 VAL H H 531 8.659 8.659 8.871 -0.212 18840 2291 1 7 . 1 1 532 532 CYS N N 532 121.034 121.034 117.004 4.030 18840 2292 1 7 . 1 1 532 532 CYS HA H 532 4.568 4.568 4.579 -0.011 18840 2293 1 7 . 1 1 532 532 CYS C C 532 172.994 172.994 174.682 -1.688 18840 2294 1 7 . 1 1 532 532 CYS CA C 532 60.437 60.437 59.716 0.721 18840 2295 1 7 . 1 1 532 532 CYS CB C 532 31.856 31.856 28.964 2.892 18840 2296 1 7 . 1 1 532 532 CYS H H 532 8.023 8.023 7.610 0.413 18840 2297 1 7 . 1 1 533 533 PHE N N 533 129.389 129.389 121.999 7.390 18840 2298 1 7 . 1 1 533 533 PHE HA H 533 4.197 4.197 4.201 -0.004 18840 2299 1 7 . 1 1 533 533 PHE C C 533 174.830 174.830 173.980 0.850 18840 2300 1 7 . 1 1 533 533 PHE CA C 533 59.754 59.754 58.773 0.981 18840 2301 1 7 . 1 1 533 533 PHE CB C 533 38.260 38.260 37.363 0.897 18840 2302 1 7 . 1 1 533 533 PHE H H 533 7.928 7.928 8.235 -0.307 18840 2303 1 7 . 1 1 534 534 LYS N N 534 113.676 113.676 117.795 -4.119 18840 2304 1 7 . 1 1 534 534 LYS HA H 534 4.466 4.466 4.556 -0.090 18840 2305 1 7 . 1 1 534 534 LYS C C 534 173.055 173.055 174.409 -1.354 18840 2306 1 7 . 1 1 534 534 LYS CA C 534 54.068 54.068 54.460 -0.392 18840 2307 1 7 . 1 1 534 534 LYS CB C 534 37.800 37.800 35.727 2.074 18840 2308 1 7 . 1 1 534 534 LYS H H 534 6.430 6.430 7.494 -1.064 18840 2309 1 7 . 1 1 535 535 TYR N N 535 117.686 117.686 117.981 -0.295 18840 2310 1 7 . 1 1 535 535 TYR HA H 535 5.165 5.165 5.683 -0.518 18840 2311 1 7 . 1 1 535 535 TYR C C 535 175.888 175.888 175.605 0.283 18840 2312 1 7 . 1 1 535 535 TYR CA C 535 58.593 58.593 56.028 2.565 18840 2313 1 7 . 1 1 535 535 TYR CB C 535 40.020 40.020 39.715 0.305 18840 2314 1 7 . 1 1 535 535 TYR H H 535 7.145 7.145 8.853 -1.708 18840 2315 1 7 . 1 1 536 536 PHE N N 536 117.497 117.497 116.918 0.579 18840 2316 1 7 . 1 1 536 536 PHE HA H 536 6.399 6.399 5.152 1.247 18840 2317 1 7 . 1 1 536 536 PHE C C 536 177.127 177.127 175.382 1.745 18840 2318 1 7 . 1 1 536 536 PHE CA C 536 57.056 57.056 56.959 0.097 18840 2319 1 7 . 1 1 536 536 PHE CB C 536 45.217 45.217 43.926 1.291 18840 2320 1 7 . 1 1 536 536 PHE H H 536 9.608 9.608 9.009 0.599 18840 2321 1 7 . 1 1 537 537 CYS N N 537 119.624 119.624 121.822 -2.198 18840 2322 1 7 . 1 1 537 537 CYS HA H 537 5.499 5.499 4.820 0.679 18840 2323 1 7 . 1 1 537 537 CYS C C 537 176.128 176.128 176.375 -0.247 18840 2324 1 7 . 1 1 537 537 CYS CA C 537 58.097 58.097 58.892 -0.795 18840 2325 1 7 . 1 1 537 537 CYS CB C 537 32.306 32.306 29.213 3.093 18840 2326 1 7 . 1 1 537 537 CYS H H 537 9.777 9.777 8.789 0.988 18840 2327 1 7 . 1 1 538 538 ARG N N 538 120.573 120.573 122.709 -2.136 18840 2328 1 7 . 1 1 538 538 ARG HA H 538 3.791 3.791 4.189 -0.398 18840 2329 1 7 . 1 1 538 538 ARG C C 538 178.403 178.403 178.041 0.362 18840 2330 1 7 . 1 1 538 538 ARG CA C 538 60.937 60.937 61.100 -0.163 18840 2331 1 7 . 1 1 538 538 ARG CB C 538 30.392 30.392 30.253 0.139 18840 2332 1 7 . 1 1 538 538 ARG H H 538 9.375 9.375 9.075 0.300 18840 2333 1 7 . 1 1 539 539 SER N N 539 114.562 114.562 113.485 1.077 18840 2334 1 7 . 1 1 539 539 SER HA H 539 4.491 4.491 4.407 0.084 18840 2335 1 7 . 1 1 539 539 SER C C 539 178.610 178.610 176.392 2.218 18840 2336 1 7 . 1 1 539 539 SER CA C 539 62.159 62.159 61.250 0.909 18840 2337 1 7 . 1 1 539 539 SER CB C 539 62.934 62.934 62.960 -0.026 18840 2338 1 7 . 1 1 539 539 SER H H 539 8.549 8.549 8.640 -0.091 18840 2339 1 7 . 1 1 540 540 CYS N N 540 126.990 126.990 121.928 5.062 18840 2340 1 7 . 1 1 540 540 CYS HA H 540 4.454 4.454 4.598 -0.144 18840 2341 1 7 . 1 1 540 540 CYS C C 540 178.546 178.546 177.191 1.355 18840 2342 1 7 . 1 1 540 540 CYS CA C 540 65.024 65.024 62.101 2.923 18840 2343 1 7 . 1 1 540 540 CYS CB C 540 30.747 30.747 26.329 4.418 18840 2344 1 7 . 1 1 540 540 CYS H H 540 9.534 9.534 8.344 1.190 18840 2345 1 7 . 1 1 541 541 TRP N N 541 121.037 121.037 122.220 -1.183 18840 2346 1 7 . 1 1 541 541 TRP HA H 541 3.319 3.319 4.319 -1.000 18840 2347 1 7 . 1 1 541 541 TRP C C 541 179.671 179.671 177.829 1.842 18840 2348 1 7 . 1 1 541 541 TRP CA C 541 62.783 62.783 61.001 1.782 18840 2349 1 7 . 1 1 541 541 TRP CB C 541 27.747 27.747 29.033 -1.286 18840 2350 1 7 . 1 1 541 541 TRP H H 541 9.632 9.632 9.086 0.546 18840 2351 1 7 . 1 1 542 542 HIS N N 542 119.251 119.251 120.305 -1.054 18840 2352 1 7 . 1 1 542 542 HIS HA H 542 4.330 4.330 4.320 0.010 18840 2353 1 7 . 1 1 542 542 HIS C C 542 177.291 177.291 177.346 -0.055 18840 2354 1 7 . 1 1 542 542 HIS CA C 542 59.909 59.909 60.722 -0.813 18840 2355 1 7 . 1 1 542 542 HIS CB C 542 30.594 30.594 30.325 0.269 18840 2356 1 7 . 1 1 542 542 HIS H H 542 8.073 8.073 8.177 -0.104 18840 2357 1 7 . 1 1 543 543 TRP N N 543 121.212 121.212 120.719 0.493 18840 2358 1 7 . 1 1 543 543 TRP HA H 543 4.231 4.231 4.271 -0.040 18840 2359 1 7 . 1 1 543 543 TRP C C 543 178.256 178.256 178.006 0.250 18840 2360 1 7 . 1 1 543 543 TRP CA C 543 60.959 60.959 60.708 0.251 18840 2361 1 7 . 1 1 543 543 TRP CB C 543 28.593 28.593 29.652 -1.059 18840 2362 1 7 . 1 1 543 543 TRP H H 543 8.200 8.200 8.273 -0.073 18840 2363 1 7 . 1 1 544 544 ARG N N 544 118.044 118.044 117.754 0.290 18840 2364 1 7 . 1 1 544 544 ARG HA H 544 3.199 3.199 3.692 -0.493 18840 2365 1 7 . 1 1 544 544 ARG C C 544 176.093 176.093 178.519 -2.426 18840 2366 1 7 . 1 1 544 544 ARG CA C 544 57.149 57.149 58.218 -1.069 18840 2367 1 7 . 1 1 544 544 ARG CB C 544 29.942 29.942 29.770 0.172 18840 2368 1 7 . 1 1 544 544 ARG H H 544 8.194 8.194 8.147 0.047 18840 2369 1 7 . 1 1 545 545 HIS N N 545 109.049 109.049 115.537 -6.488 18840 2370 1 7 . 1 1 545 545 HIS HA H 545 3.781 3.781 4.213 -0.432 18840 2371 1 7 . 1 1 545 545 HIS C C 545 173.247 173.247 175.627 -2.380 18840 2372 1 7 . 1 1 545 545 HIS CA C 545 58.848 58.848 56.558 2.290 18840 2373 1 7 . 1 1 545 545 HIS CB C 545 25.314 25.314 28.756 -3.442 18840 2374 1 7 . 1 1 545 545 HIS H H 545 7.410 7.410 7.797 -0.387 18840 2375 1 7 . 1 1 546 546 SER N N 546 112.353 112.353 114.781 -2.428 18840 2376 1 7 . 1 1 546 546 SER HA H 546 4.336 4.336 4.003 0.333 18840 2377 1 7 . 1 1 546 546 SER C C 546 174.714 174.714 174.348 0.366 18840 2378 1 7 . 1 1 546 546 SER CA C 546 59.042 59.042 59.597 -0.555 18840 2379 1 7 . 1 1 546 546 SER CB C 546 63.464 63.464 62.791 0.673 18840 2380 1 7 . 1 1 546 546 SER H H 546 6.948 6.948 7.147 -0.199 18840 2381 1 7 . 1 1 547 547 MET N N 547 121.366 121.366 120.221 1.145 18840 2382 1 7 . 1 1 547 547 MET HA H 547 4.188 4.188 4.145 0.043 18840 2383 1 7 . 1 1 547 547 MET C C 547 175.421 175.421 176.139 -0.718 18840 2384 1 7 . 1 1 547 547 MET CA C 547 55.504 55.504 54.374 1.130 18840 2385 1 7 . 1 1 547 547 MET CB C 547 33.318 33.318 31.706 1.612 18840 2386 1 7 . 1 1 547 547 MET H H 547 6.821 6.821 7.101 -0.280 18840 2387 1 7 . 1 1 548 548 GLU N N 548 122.898 122.898 124.004 -1.106 18840 2388 1 7 . 1 1 548 548 GLU HA H 548 3.807 3.807 4.057 -0.250 18840 2389 1 7 . 1 1 548 548 GLU C C 548 176.918 176.918 177.231 -0.313 18840 2390 1 7 . 1 1 548 548 GLU CA C 548 58.746 58.746 58.160 0.586 18840 2391 1 7 . 1 1 548 548 GLU CB C 548 29.505 29.505 30.129 -0.624 18840 2392 1 7 . 1 1 548 548 GLU H H 548 8.515 8.515 8.483 0.032 18840 2393 1 7 . 1 1 549 549 GLY N N 549 112.898 112.898 112.247 0.651 18840 2394 1 7 . 1 1 549 549 GLY C C 549 174.645 174.645 174.659 -0.014 18840 2395 1 7 . 1 1 549 549 GLY CA C 549 45.411 45.411 45.129 0.282 18840 2396 1 7 . 1 1 549 549 GLY H H 549 8.950 8.950 8.784 0.166 18840 2397 1 7 . 1 1 550 550 LEU N N 550 118.164 118.164 119.065 -0.901 18840 2398 1 7 . 1 1 550 550 LEU HA H 550 3.928 3.928 4.474 -0.546 18840 2399 1 7 . 1 1 550 550 LEU C C 550 177.030 177.030 177.308 -0.278 18840 2400 1 7 . 1 1 550 550 LEU CA C 550 54.291 54.291 53.913 0.378 18840 2401 1 7 . 1 1 550 550 LEU CB C 550 42.968 42.968 41.591 1.377 18840 2402 1 7 . 1 1 550 550 LEU H H 550 7.702 7.702 7.346 0.356 18840 2403 1 7 . 1 1 551 551 ARG N N 551 115.914 115.914 119.463 -3.549 18840 2404 1 7 . 1 1 551 551 ARG HA H 551 4.405 4.405 4.113 0.292 18840 2405 1 7 . 1 1 551 551 ARG C C 551 177.206 177.206 177.057 0.149 18840 2406 1 7 . 1 1 551 551 ARG CA C 551 58.406 58.406 57.536 0.870 18840 2407 1 7 . 1 1 551 551 ARG CB C 551 30.360 30.360 28.965 1.395 18840 2408 1 7 . 1 1 551 551 ARG H H 551 7.299 7.299 8.331 -1.032 18840 2409 1 7 . 1 1 552 552 HIS N N 552 113.766 113.766 113.166 0.600 18840 2410 1 7 . 1 1 552 552 HIS HA H 552 4.692 4.692 4.679 0.013 18840 2411 1 7 . 1 1 552 552 HIS C C 552 175.959 175.959 175.089 0.870 18840 2412 1 7 . 1 1 552 552 HIS CA C 552 56.223 56.223 55.473 0.750 18840 2413 1 7 . 1 1 552 552 HIS CB C 552 30.228 30.228 29.265 0.963 18840 2414 1 7 . 1 1 552 552 HIS H H 552 8.480 8.480 8.149 0.331 18840 2415 1 7 . 1 1 553 553 HIS N N 553 122.502 122.502 120.686 1.816 18840 2416 1 7 . 1 1 553 553 HIS HA H 553 4.459 4.459 4.432 0.027 18840 2417 1 7 . 1 1 553 553 HIS C C 553 174.820 174.820 174.604 0.216 18840 2418 1 7 . 1 1 553 553 HIS CA C 553 55.553 55.553 56.524 -0.971 18840 2419 1 7 . 1 1 553 553 HIS CB C 553 31.320 31.320 30.452 0.868 18840 2420 1 7 . 1 1 553 553 HIS H H 553 6.954 6.954 7.345 -0.391 18840 2421 1 7 . 1 1 554 554 SER N N 554 117.586 117.586 116.150 1.436 18840 2422 1 7 . 1 1 554 554 SER HA H 554 5.128 5.128 4.871 0.257 18840 2423 1 7 . 1 1 554 554 SER CA C 554 55.199 55.199 55.649 -0.450 18840 2424 1 7 . 1 1 554 554 SER CB C 554 64.833 64.833 64.919 -0.086 18840 2425 1 7 . 1 1 554 554 SER H H 554 8.668 8.668 8.441 0.227 18840 2426 1 7 . 1 1 555 555 PRO HA H 555 4.296 4.296 4.359 -0.063 18840 2427 1 7 . 1 1 555 555 PRO C C 555 176.447 176.447 175.966 0.481 18840 2428 1 7 . 1 1 555 555 PRO CA C 555 63.029 63.029 62.159 0.870 18840 2429 1 7 . 1 1 555 555 PRO CB C 555 31.779 31.779 31.345 0.434 18840 2430 1 7 . 1 1 556 556 LEU N N 556 123.469 123.469 126.851 -3.382 18840 2431 1 7 . 1 1 556 556 LEU HA H 556 4.788 4.788 4.643 0.145 18840 2432 1 7 . 1 1 556 556 LEU C C 556 176.176 176.176 176.599 -0.423 18840 2433 1 7 . 1 1 556 556 LEU CA C 556 54.247 54.247 54.636 -0.389 18840 2434 1 7 . 1 1 556 556 LEU CB C 556 44.237 44.237 43.735 0.502 18840 2435 1 7 . 1 1 556 556 LEU H H 556 8.802 8.802 9.003 -0.201 18840 2436 1 7 . 1 1 557 557 MET N N 557 122.362 122.362 117.536 4.826 18840 2437 1 7 . 1 1 557 557 MET HA H 557 4.983 4.983 4.810 0.173 18840 2438 1 7 . 1 1 557 557 MET C C 557 175.983 175.983 175.315 0.668 18840 2439 1 7 . 1 1 557 557 MET CA C 557 54.641 54.641 54.312 0.329 18840 2440 1 7 . 1 1 557 557 MET CB C 557 34.181 34.181 36.864 -2.683 18840 2441 1 7 . 1 1 557 557 MET H H 557 8.624 8.624 8.244 0.380 18840 2442 1 7 . 1 1 558 558 ARG N N 558 123.450 123.450 121.402 2.048 18840 2443 1 7 . 1 1 558 558 ARG HA H 558 4.302 4.302 4.092 0.210 18840 2444 1 7 . 1 1 558 558 ARG CA C 558 56.545 56.545 56.376 0.169 18840 2445 1 7 . 1 1 558 558 ARG CB C 558 31.139 31.139 30.322 0.817 18840 2446 1 7 . 1 1 558 558 ARG H H 558 8.901 8.901 8.347 0.554 18840 2447 1 7 . 1 1 559 559 ASN HA H 559 4.642 4.642 4.573 0.069 18840 2448 1 7 . 1 1 559 559 ASN CA C 559 53.286 53.286 54.202 -0.916 18840 2449 1 7 . 1 1 559 559 ASN CB C 559 38.877 38.877 38.860 0.017 18840 2450 1 7 . 1 1 560 560 GLN N N 560 121.173 121.173 119.348 1.825 18840 2451 1 7 . 1 1 560 560 GLN HA H 560 4.308 4.308 4.502 -0.194 18840 2452 1 7 . 1 1 560 560 GLN C C 560 175.883 175.883 174.603 1.280 18840 2453 1 7 . 1 1 560 560 GLN CA C 560 56.023 56.023 54.599 1.424 18840 2454 1 7 . 1 1 560 560 GLN CB C 560 29.702 29.702 31.137 -1.435 18840 2455 1 7 . 1 1 560 560 GLN H H 560 8.284 8.284 7.901 0.383 18840 2456 1 7 . 1 1 561 561 LYS N N 561 122.223 122.223 124.571 -2.348 18840 2457 1 7 . 1 1 561 561 LYS HA H 561 4.267 4.267 4.273 -0.006 18840 2458 1 7 . 1 1 561 561 LYS C C 561 176.349 176.349 175.673 0.676 18840 2459 1 7 . 1 1 561 561 LYS CA C 561 56.659 56.659 56.594 0.065 18840 2460 1 7 . 1 1 561 561 LYS CB C 561 32.966 32.966 33.159 -0.193 18840 2461 1 7 . 1 1 561 561 LYS H H 561 8.350 8.350 8.595 -0.245 18840 2462 1 7 . 1 1 562 562 ASN N N 562 119.683 119.683 120.510 -0.827 18840 2463 1 7 . 1 1 562 562 ASN HA H 562 4.681 4.681 4.618 0.063 18840 2464 1 7 . 1 1 562 562 ASN C C 562 175.298 175.298 175.040 0.258 18840 2465 1 7 . 1 1 562 562 ASN CA C 562 53.375 53.375 53.644 -0.269 18840 2466 1 7 . 1 1 562 562 ASN CB C 562 38.920 38.920 38.764 0.156 18840 2467 1 7 . 1 1 562 562 ASN H H 562 8.440 8.440 8.672 -0.232 18840 2468 1 7 . 1 1 563 563 ARG N N 563 121.405 121.405 123.482 -2.077 18840 2469 1 7 . 1 1 563 563 ARG HA H 563 4.315 4.315 4.591 -0.276 18840 2470 1 7 . 1 1 563 563 ARG C C 563 176.088 176.088 175.314 0.774 18840 2471 1 7 . 1 1 563 563 ARG CA C 563 56.489 56.489 55.429 1.060 18840 2472 1 7 . 1 1 563 563 ARG CB C 563 30.775 30.775 32.653 -1.878 18840 2473 1 7 . 1 1 563 563 ARG H H 563 8.333 8.333 8.246 0.087 18840 2474 1 7 . 1 1 564 564 ASP N N 564 121.203 121.203 121.506 -0.303 18840 2475 1 7 . 1 1 564 564 ASP HA H 564 4.667 4.667 4.680 -0.013 18840 2476 1 7 . 1 1 564 564 ASP C C 564 176.148 176.148 177.146 -0.998 18840 2477 1 7 . 1 1 564 564 ASP CA C 564 54.597 54.597 53.838 0.759 18840 2478 1 7 . 1 1 564 564 ASP CB C 564 41.249 41.249 42.012 -0.763 18840 2479 1 7 . 1 1 564 564 ASP H H 564 8.387 8.387 8.380 0.007 18840 2480 1 7 . 1 1 565 565 SER N N 565 116.058 116.058 115.869 0.189 18840 2481 1 7 . 1 1 565 565 SER HA H 565 4.528 4.528 4.442 0.086 18840 2482 1 7 . 1 1 565 565 SER C C 565 173.755 173.755 175.167 -1.412 18840 2483 1 7 . 1 1 565 565 SER CA C 565 58.266 58.266 58.675 -0.409 18840 2484 1 7 . 1 1 565 565 SER CB C 565 64.077 64.077 63.481 0.596 18840 2485 1 7 . 1 1 565 565 SER H H 565 8.186 8.186 8.494 -0.308 18840 2486 1 8 . 1 1 503 503 PRO HA H 503 4.533 4.533 5.028 -0.495 18840 2487 1 8 . 1 1 503 503 PRO C C 503 176.777 176.777 176.072 0.705 18840 2488 1 8 . 1 1 503 503 PRO CA C 503 62.962 62.962 62.635 0.327 18840 2489 1 8 . 1 1 503 503 PRO CB C 503 32.403 32.403 33.454 -1.051 18840 2490 1 8 . 1 1 504 504 VAL N N 504 120.734 120.734 116.341 4.393 18840 2491 1 8 . 1 1 504 504 VAL HA H 504 4.102 4.102 4.456 -0.354 18840 2492 1 8 . 1 1 504 504 VAL C C 504 175.887 175.887 175.094 0.793 18840 2493 1 8 . 1 1 504 504 VAL CA C 504 62.483 62.483 60.953 1.530 18840 2494 1 8 . 1 1 504 504 VAL CB C 504 32.864 32.864 34.807 -1.944 18840 2495 1 8 . 1 1 504 504 VAL H H 504 8.290 8.290 8.311 -0.021 18840 2496 1 8 . 1 1 505 505 GLN N N 505 125.069 125.069 122.499 2.570 18840 2497 1 8 . 1 1 505 505 GLN HA H 505 4.430 4.430 4.813 -0.383 18840 2498 1 8 . 1 1 505 505 GLN C C 505 175.207 175.207 174.855 0.352 18840 2499 1 8 . 1 1 505 505 GLN CA C 505 55.476 55.476 55.335 0.141 18840 2500 1 8 . 1 1 505 505 GLN CB C 505 29.918 29.918 31.068 -1.150 18840 2501 1 8 . 1 1 505 505 GLN H H 505 8.450 8.450 8.782 -0.332 18840 2502 1 8 . 1 1 506 506 ILE N N 506 123.121 123.121 117.300 5.821 18840 2503 1 8 . 1 1 506 506 ILE HA H 506 4.303 4.303 4.729 -0.426 18840 2504 1 8 . 1 1 506 506 ILE C C 506 175.607 175.607 175.071 0.536 18840 2505 1 8 . 1 1 506 506 ILE CA C 506 60.346 60.346 60.401 -0.055 18840 2506 1 8 . 1 1 506 506 ILE CB C 506 39.046 39.046 40.702 -1.656 18840 2507 1 8 . 1 1 506 506 ILE H H 506 8.259 8.259 8.288 -0.029 18840 2508 1 8 . 1 1 507 507 ASP N N 507 126.258 126.258 120.394 5.864 18840 2509 1 8 . 1 1 507 507 ASP HA H 507 4.909 4.909 4.966 -0.057 18840 2510 1 8 . 1 1 507 507 ASP CA C 507 51.929 51.929 53.048 -1.119 18840 2511 1 8 . 1 1 507 507 ASP CB C 507 41.712 41.712 41.639 0.073 18840 2512 1 8 . 1 1 507 507 ASP H H 507 8.419 8.419 8.369 0.050 18840 2513 1 8 . 1 1 508 508 PRO HA H 508 4.304 4.304 4.408 -0.104 18840 2514 1 8 . 1 1 508 508 PRO C C 508 176.539 176.539 176.694 -0.155 18840 2515 1 8 . 1 1 508 508 PRO CA C 508 63.271 63.271 62.792 0.479 18840 2516 1 8 . 1 1 508 508 PRO CB C 508 32.117 32.117 32.091 0.026 18840 2517 1 8 . 1 1 509 509 TYR N N 509 119.278 119.278 118.541 0.737 18840 2518 1 8 . 1 1 509 509 TYR HA H 509 4.486 4.486 4.499 -0.013 18840 2519 1 8 . 1 1 509 509 TYR C C 509 175.814 175.814 174.778 1.036 18840 2520 1 8 . 1 1 509 509 TYR CA C 509 57.945 57.945 58.413 -0.467 18840 2521 1 8 . 1 1 509 509 TYR CB C 509 37.723 37.723 38.216 -0.493 18840 2522 1 8 . 1 1 509 509 TYR H H 509 8.218 8.218 8.084 0.134 18840 2523 1 8 . 1 1 510 510 LEU N N 510 122.827 122.827 116.065 6.762 18840 2524 1 8 . 1 1 510 510 LEU HA H 510 4.254 4.254 4.660 -0.406 18840 2525 1 8 . 1 1 510 510 LEU C C 510 176.689 176.689 174.821 1.868 18840 2526 1 8 . 1 1 510 510 LEU CA C 510 54.934 54.934 53.642 1.292 18840 2527 1 8 . 1 1 510 510 LEU CB C 510 42.647 42.647 44.169 -1.522 18840 2528 1 8 . 1 1 510 510 LEU H H 510 7.655 7.655 7.059 0.596 18840 2529 1 8 . 1 1 511 511 GLU N N 511 120.110 120.110 118.930 1.180 18840 2530 1 8 . 1 1 511 511 GLU HA H 511 4.234 4.234 4.469 -0.235 18840 2531 1 8 . 1 1 511 511 GLU CA C 511 55.912 55.912 55.139 0.773 18840 2532 1 8 . 1 1 511 511 GLU CB C 511 31.398 31.398 32.910 -1.512 18840 2533 1 8 . 1 1 511 511 GLU H H 511 8.223 8.223 8.756 -0.533 18840 2534 1 8 . 1 1 512 512 ASP N N 512 120.430 120.430 122.403 -1.973 18840 2535 1 8 . 1 1 512 512 ASP HA H 512 4.439 4.439 4.764 -0.325 18840 2536 1 8 . 1 1 512 512 ASP C C 512 175.742 175.742 175.436 0.306 18840 2537 1 8 . 1 1 512 512 ASP CA C 512 54.405 54.405 54.096 0.309 18840 2538 1 8 . 1 1 512 512 ASP CB C 512 40.977 40.977 39.802 1.175 18840 2539 1 8 . 1 1 512 512 ASP H H 512 8.258 8.258 8.630 -0.372 18840 2540 1 8 . 1 1 513 513 SER N N 513 116.712 116.712 116.899 -0.187 18840 2541 1 8 . 1 1 513 513 SER HA H 513 4.282 4.282 4.169 0.113 18840 2542 1 8 . 1 1 513 513 SER C C 513 174.628 174.628 173.860 0.768 18840 2543 1 8 . 1 1 513 513 SER CA C 513 57.783 57.783 58.275 -0.492 18840 2544 1 8 . 1 1 513 513 SER CB C 513 64.481 64.481 63.412 1.069 18840 2545 1 8 . 1 1 513 513 SER H H 513 8.004 8.004 7.582 0.422 18840 2546 1 8 . 1 1 514 514 LEU N N 514 124.291 124.291 123.143 1.148 18840 2547 1 8 . 1 1 514 514 LEU HA H 514 4.360 4.360 4.268 0.092 18840 2548 1 8 . 1 1 514 514 LEU C C 514 176.422 176.422 177.340 -0.918 18840 2549 1 8 . 1 1 514 514 LEU CA C 514 54.896 54.896 54.626 0.270 18840 2550 1 8 . 1 1 514 514 LEU CB C 514 43.711 43.711 42.064 1.647 18840 2551 1 8 . 1 1 514 514 LEU H H 514 8.248 8.248 8.034 0.214 18840 2552 1 8 . 1 1 515 515 CYS N N 515 121.802 121.802 123.823 -2.021 18840 2553 1 8 . 1 1 515 515 CYS HA H 515 3.818 3.818 4.335 -0.517 18840 2554 1 8 . 1 1 515 515 CYS C C 515 177.418 177.418 176.375 1.043 18840 2555 1 8 . 1 1 515 515 CYS CA C 515 60.542 60.542 59.529 1.013 18840 2556 1 8 . 1 1 515 515 CYS CB C 515 31.859 31.859 27.640 4.219 18840 2557 1 8 . 1 1 515 515 CYS H H 515 8.418 8.418 8.393 0.025 18840 2558 1 8 . 1 1 516 516 HIS N N 516 129.671 129.671 126.514 3.157 18840 2559 1 8 . 1 1 516 516 HIS HA H 516 4.497 4.497 4.231 0.266 18840 2560 1 8 . 1 1 516 516 HIS C C 516 175.845 175.845 175.963 -0.118 18840 2561 1 8 . 1 1 516 516 HIS CA C 516 58.672 58.672 59.007 -0.335 18840 2562 1 8 . 1 1 516 516 HIS CB C 516 31.910 31.910 29.802 2.108 18840 2563 1 8 . 1 1 516 516 HIS H H 516 9.149 9.149 8.508 0.641 18840 2564 1 8 . 1 1 517 517 ILE N N 517 121.766 121.766 117.226 4.540 18840 2565 1 8 . 1 1 517 517 ILE HA H 517 4.170 4.170 3.873 0.297 18840 2566 1 8 . 1 1 517 517 ILE C C 517 177.448 177.448 178.094 -0.646 18840 2567 1 8 . 1 1 517 517 ILE CA C 517 61.900 61.900 63.840 -1.940 18840 2568 1 8 . 1 1 517 517 ILE CB C 517 35.256 35.256 38.453 -3.197 18840 2569 1 8 . 1 1 517 517 ILE H H 517 9.347 9.347 7.557 1.790 18840 2570 1 8 . 1 1 518 518 CYS N N 518 118.774 118.774 117.544 1.230 18840 2571 1 8 . 1 1 518 518 CYS HA H 518 4.772 4.772 4.319 0.453 18840 2572 1 8 . 1 1 518 518 CYS C C 518 176.883 176.883 175.369 1.514 18840 2573 1 8 . 1 1 518 518 CYS CA C 518 59.309 59.309 59.418 -0.109 18840 2574 1 8 . 1 1 518 518 CYS CB C 518 31.994 31.994 26.829 5.165 18840 2575 1 8 . 1 1 518 518 CYS H H 518 8.564 8.564 8.321 0.243 18840 2576 1 8 . 1 1 519 519 SER N N 519 116.362 116.362 113.937 2.425 18840 2577 1 8 . 1 1 519 519 SER HA H 519 4.403 4.403 4.223 0.180 18840 2578 1 8 . 1 1 519 519 SER C C 519 174.258 174.258 174.242 0.016 18840 2579 1 8 . 1 1 519 519 SER CA C 519 60.236 60.236 59.718 0.518 18840 2580 1 8 . 1 1 519 519 SER CB C 519 62.727 62.727 61.604 1.123 18840 2581 1 8 . 1 1 519 519 SER H H 519 7.619 7.619 8.288 -0.669 18840 2582 1 8 . 1 1 520 520 SER N N 520 113.506 113.506 114.313 -0.807 18840 2583 1 8 . 1 1 520 520 SER HA H 520 4.832 4.832 4.286 0.546 18840 2584 1 8 . 1 1 520 520 SER C C 520 172.953 172.953 173.918 -0.965 18840 2585 1 8 . 1 1 520 520 SER CA C 520 58.849 58.849 59.377 -0.528 18840 2586 1 8 . 1 1 520 520 SER CB C 520 65.701 65.701 63.413 2.288 18840 2587 1 8 . 1 1 520 520 SER H H 520 8.328 8.328 8.232 0.096 18840 2588 1 8 . 1 1 521 521 GLN N N 521 118.652 118.652 117.013 1.639 18840 2589 1 8 . 1 1 521 521 GLN HA H 521 4.932 4.932 4.803 0.129 18840 2590 1 8 . 1 1 521 521 GLN CA C 521 52.845 52.845 53.215 -0.370 18840 2591 1 8 . 1 1 521 521 GLN CB C 521 30.606 30.606 29.081 1.525 18840 2592 1 8 . 1 1 521 521 GLN H H 521 7.416 7.416 7.596 -0.180 18840 2593 1 8 . 1 1 522 522 PRO HA H 522 4.415 4.415 4.800 -0.385 18840 2594 1 8 . 1 1 522 522 PRO C C 522 175.086 175.086 177.149 -2.063 18840 2595 1 8 . 1 1 522 522 PRO CA C 522 63.782 63.782 62.516 1.266 18840 2596 1 8 . 1 1 522 522 PRO CB C 522 32.536 32.536 32.387 0.149 18840 2597 1 8 . 1 1 523 523 GLY N N 523 110.217 110.217 109.059 1.158 18840 2598 1 8 . 1 1 523 523 GLY CA C 523 46.095 46.095 42.884 3.211 18840 2599 1 8 . 1 1 523 523 GLY H H 523 8.909 8.909 8.030 0.879 18840 2600 1 8 . 1 1 524 524 PRO HA H 524 4.457 4.457 4.232 0.225 18840 2601 1 8 . 1 1 524 524 PRO C C 524 176.040 176.040 175.829 0.211 18840 2602 1 8 . 1 1 524 524 PRO CA C 524 63.115 63.115 63.289 -0.174 18840 2603 1 8 . 1 1 524 524 PRO CB C 524 32.830 32.830 32.031 0.799 18840 2604 1 8 . 1 1 525 525 PHE N N 525 116.223 116.223 118.589 -2.366 18840 2605 1 8 . 1 1 525 525 PHE HA H 525 5.039 5.039 4.646 0.393 18840 2606 1 8 . 1 1 525 525 PHE C C 525 174.437 174.437 174.172 0.265 18840 2607 1 8 . 1 1 525 525 PHE CA C 525 56.080 56.080 56.738 -0.658 18840 2608 1 8 . 1 1 525 525 PHE CB C 525 39.780 39.780 41.000 -1.220 18840 2609 1 8 . 1 1 525 525 PHE H H 525 8.148 8.148 7.453 0.695 18840 2610 1 8 . 1 1 526 526 PHE N N 526 125.861 125.861 124.020 1.841 18840 2611 1 8 . 1 1 526 526 PHE HA H 526 5.102 5.102 5.384 -0.282 18840 2612 1 8 . 1 1 526 526 PHE C C 526 175.221 175.221 173.973 1.248 18840 2613 1 8 . 1 1 526 526 PHE CA C 526 56.865 56.865 56.110 0.755 18840 2614 1 8 . 1 1 526 526 PHE CB C 526 41.661 41.661 41.779 -0.118 18840 2615 1 8 . 1 1 526 526 PHE H H 526 9.522 9.522 8.569 0.953 18840 2616 1 8 . 1 1 527 527 CYS N N 527 128.663 128.663 128.026 0.637 18840 2617 1 8 . 1 1 527 527 CYS HA H 527 4.931 4.931 5.092 -0.161 18840 2618 1 8 . 1 1 527 527 CYS C C 527 174.052 174.052 174.534 -0.482 18840 2619 1 8 . 1 1 527 527 CYS CA C 527 58.267 58.267 56.530 1.737 18840 2620 1 8 . 1 1 527 527 CYS CB C 527 31.075 31.075 29.712 1.363 18840 2621 1 8 . 1 1 527 527 CYS H H 527 7.723 7.723 8.516 -0.793 18840 2622 1 8 . 1 1 528 528 ARG N N 528 125.354 125.354 125.712 -0.358 18840 2623 1 8 . 1 1 528 528 ARG HA H 528 4.148 4.148 4.604 -0.456 18840 2624 1 8 . 1 1 528 528 ARG C C 528 175.406 175.406 176.245 -0.839 18840 2625 1 8 . 1 1 528 528 ARG CA C 528 55.971 55.971 54.961 1.010 18840 2626 1 8 . 1 1 528 528 ARG CB C 528 31.165 31.165 29.991 1.173 18840 2627 1 8 . 1 1 528 528 ARG H H 528 8.866 8.866 8.640 0.226 18840 2628 1 8 . 1 1 529 529 ASP N N 529 124.001 124.001 121.616 2.385 18840 2629 1 8 . 1 1 529 529 ASP HA H 529 4.203 4.203 4.486 -0.283 18840 2630 1 8 . 1 1 529 529 ASP C C 529 178.105 178.105 176.951 1.154 18840 2631 1 8 . 1 1 529 529 ASP CA C 529 56.288 56.288 54.159 2.129 18840 2632 1 8 . 1 1 529 529 ASP CB C 529 43.574 43.574 42.251 1.323 18840 2633 1 8 . 1 1 529 529 ASP H H 529 8.198 8.198 7.407 0.791 18840 2634 1 8 . 1 1 530 530 GLN N N 530 125.372 125.372 122.781 2.591 18840 2635 1 8 . 1 1 530 530 GLN HA H 530 3.894 3.894 4.029 -0.135 18840 2636 1 8 . 1 1 530 530 GLN C C 530 177.471 177.471 177.059 0.412 18840 2637 1 8 . 1 1 530 530 GLN CA C 530 59.159 59.159 58.111 1.048 18840 2638 1 8 . 1 1 530 530 GLN CB C 530 28.731 28.731 28.814 -0.083 18840 2639 1 8 . 1 1 530 530 GLN H H 530 8.746 8.746 8.585 0.161 18840 2640 1 8 . 1 1 531 531 VAL N N 531 113.137 113.137 118.427 -5.290 18840 2641 1 8 . 1 1 531 531 VAL HA H 531 4.282 4.282 3.836 0.446 18840 2642 1 8 . 1 1 531 531 VAL C C 531 176.295 176.295 177.016 -0.721 18840 2643 1 8 . 1 1 531 531 VAL CA C 531 63.324 63.324 65.619 -2.295 18840 2644 1 8 . 1 1 531 531 VAL CB C 531 31.457 31.457 32.229 -0.772 18840 2645 1 8 . 1 1 531 531 VAL H H 531 8.659 8.659 8.875 -0.216 18840 2646 1 8 . 1 1 532 532 CYS N N 532 121.034 121.034 117.052 3.982 18840 2647 1 8 . 1 1 532 532 CYS HA H 532 4.568 4.568 4.544 0.024 18840 2648 1 8 . 1 1 532 532 CYS C C 532 172.994 172.994 174.920 -1.926 18840 2649 1 8 . 1 1 532 532 CYS CA C 532 60.437 60.437 59.742 0.695 18840 2650 1 8 . 1 1 532 532 CYS CB C 532 31.856 31.856 28.517 3.339 18840 2651 1 8 . 1 1 532 532 CYS H H 532 8.023 8.023 7.419 0.604 18840 2652 1 8 . 1 1 533 533 PHE N N 533 129.389 129.389 121.365 8.024 18840 2653 1 8 . 1 1 533 533 PHE HA H 533 4.197 4.197 4.206 -0.009 18840 2654 1 8 . 1 1 533 533 PHE C C 533 174.830 174.830 174.023 0.807 18840 2655 1 8 . 1 1 533 533 PHE CA C 533 59.754 59.754 58.737 1.017 18840 2656 1 8 . 1 1 533 533 PHE CB C 533 38.260 38.260 37.420 0.840 18840 2657 1 8 . 1 1 533 533 PHE H H 533 7.928 7.928 8.228 -0.300 18840 2658 1 8 . 1 1 534 534 LYS N N 534 113.676 113.676 117.584 -3.908 18840 2659 1 8 . 1 1 534 534 LYS HA H 534 4.466 4.466 4.822 -0.356 18840 2660 1 8 . 1 1 534 534 LYS C C 534 173.055 173.055 174.369 -1.314 18840 2661 1 8 . 1 1 534 534 LYS CA C 534 54.068 54.068 54.785 -0.717 18840 2662 1 8 . 1 1 534 534 LYS CB C 534 37.800 37.800 35.981 1.819 18840 2663 1 8 . 1 1 534 534 LYS H H 534 6.430 6.430 7.463 -1.033 18840 2664 1 8 . 1 1 535 535 TYR N N 535 117.686 117.686 117.919 -0.233 18840 2665 1 8 . 1 1 535 535 TYR HA H 535 5.165 5.165 5.617 -0.452 18840 2666 1 8 . 1 1 535 535 TYR C C 535 175.888 175.888 175.593 0.295 18840 2667 1 8 . 1 1 535 535 TYR CA C 535 58.593 58.593 56.771 1.822 18840 2668 1 8 . 1 1 535 535 TYR CB C 535 40.020 40.020 39.889 0.131 18840 2669 1 8 . 1 1 535 535 TYR H H 535 7.145 7.145 8.899 -1.754 18840 2670 1 8 . 1 1 536 536 PHE N N 536 117.497 117.497 116.919 0.578 18840 2671 1 8 . 1 1 536 536 PHE HA H 536 6.399 6.399 5.141 1.258 18840 2672 1 8 . 1 1 536 536 PHE C C 536 177.127 177.127 175.357 1.770 18840 2673 1 8 . 1 1 536 536 PHE CA C 536 57.056 57.056 57.013 0.043 18840 2674 1 8 . 1 1 536 536 PHE CB C 536 45.217 45.217 44.034 1.183 18840 2675 1 8 . 1 1 536 536 PHE H H 536 9.608 9.608 9.124 0.484 18840 2676 1 8 . 1 1 537 537 CYS N N 537 119.624 119.624 121.171 -1.547 18840 2677 1 8 . 1 1 537 537 CYS HA H 537 5.499 5.499 4.854 0.645 18840 2678 1 8 . 1 1 537 537 CYS C C 537 176.128 176.128 176.240 -0.112 18840 2679 1 8 . 1 1 537 537 CYS CA C 537 58.097 58.097 58.614 -0.517 18840 2680 1 8 . 1 1 537 537 CYS CB C 537 32.306 32.306 29.335 2.971 18840 2681 1 8 . 1 1 537 537 CYS H H 537 9.777 9.777 8.796 0.981 18840 2682 1 8 . 1 1 538 538 ARG N N 538 120.573 120.573 122.313 -1.740 18840 2683 1 8 . 1 1 538 538 ARG HA H 538 3.791 3.791 3.916 -0.125 18840 2684 1 8 . 1 1 538 538 ARG C C 538 178.403 178.403 177.827 0.576 18840 2685 1 8 . 1 1 538 538 ARG CA C 538 60.937 60.937 61.072 -0.135 18840 2686 1 8 . 1 1 538 538 ARG CB C 538 30.392 30.392 30.063 0.329 18840 2687 1 8 . 1 1 538 538 ARG H H 538 9.375 9.375 8.977 0.398 18840 2688 1 8 . 1 1 539 539 SER N N 539 114.562 114.562 113.522 1.040 18840 2689 1 8 . 1 1 539 539 SER HA H 539 4.491 4.491 4.357 0.134 18840 2690 1 8 . 1 1 539 539 SER C C 539 178.610 178.610 176.526 2.084 18840 2691 1 8 . 1 1 539 539 SER CA C 539 62.159 62.159 61.687 0.472 18840 2692 1 8 . 1 1 539 539 SER CB C 539 62.934 62.934 62.997 -0.063 18840 2693 1 8 . 1 1 539 539 SER H H 539 8.549 8.549 8.684 -0.135 18840 2694 1 8 . 1 1 540 540 CYS N N 540 126.990 126.990 120.974 6.016 18840 2695 1 8 . 1 1 540 540 CYS HA H 540 4.454 4.454 4.542 -0.088 18840 2696 1 8 . 1 1 540 540 CYS C C 540 178.546 178.546 176.970 1.576 18840 2697 1 8 . 1 1 540 540 CYS CA C 540 65.024 65.024 61.934 3.090 18840 2698 1 8 . 1 1 540 540 CYS CB C 540 30.747 30.747 26.281 4.466 18840 2699 1 8 . 1 1 540 540 CYS H H 540 9.534 9.534 8.333 1.201 18840 2700 1 8 . 1 1 541 541 TRP N N 541 121.037 121.037 122.095 -1.058 18840 2701 1 8 . 1 1 541 541 TRP HA H 541 3.319 3.319 4.151 -0.832 18840 2702 1 8 . 1 1 541 541 TRP C C 541 179.671 179.671 177.998 1.673 18840 2703 1 8 . 1 1 541 541 TRP CA C 541 62.783 62.783 61.242 1.541 18840 2704 1 8 . 1 1 541 541 TRP CB C 541 27.747 27.747 28.996 -1.249 18840 2705 1 8 . 1 1 541 541 TRP H H 541 9.632 9.632 8.929 0.703 18840 2706 1 8 . 1 1 542 542 HIS N N 542 119.251 119.251 117.710 1.541 18840 2707 1 8 . 1 1 542 542 HIS HA H 542 4.330 4.330 4.392 -0.062 18840 2708 1 8 . 1 1 542 542 HIS C C 542 177.291 177.291 177.909 -0.618 18840 2709 1 8 . 1 1 542 542 HIS CA C 542 59.909 59.909 60.107 -0.198 18840 2710 1 8 . 1 1 542 542 HIS CB C 542 30.594 30.594 29.343 1.251 18840 2711 1 8 . 1 1 542 542 HIS H H 542 8.073 8.073 8.193 -0.120 18840 2712 1 8 . 1 1 543 543 TRP N N 543 121.212 121.212 121.898 -0.686 18840 2713 1 8 . 1 1 543 543 TRP HA H 543 4.231 4.231 4.311 -0.080 18840 2714 1 8 . 1 1 543 543 TRP C C 543 178.256 178.256 177.644 0.612 18840 2715 1 8 . 1 1 543 543 TRP CA C 543 60.959 60.959 61.682 -0.723 18840 2716 1 8 . 1 1 543 543 TRP CB C 543 28.593 28.593 29.589 -0.996 18840 2717 1 8 . 1 1 543 543 TRP H H 543 8.200 8.200 8.526 -0.326 18840 2718 1 8 . 1 1 544 544 ARG N N 544 118.044 118.044 118.405 -0.361 18840 2719 1 8 . 1 1 544 544 ARG HA H 544 3.199 3.199 3.786 -0.587 18840 2720 1 8 . 1 1 544 544 ARG C C 544 176.093 176.093 178.520 -2.427 18840 2721 1 8 . 1 1 544 544 ARG CA C 544 57.149 57.149 58.180 -1.031 18840 2722 1 8 . 1 1 544 544 ARG CB C 544 29.942 29.942 29.328 0.614 18840 2723 1 8 . 1 1 544 544 ARG H H 544 8.194 8.194 8.220 -0.026 18840 2724 1 8 . 1 1 545 545 HIS N N 545 109.049 109.049 115.646 -6.597 18840 2725 1 8 . 1 1 545 545 HIS HA H 545 3.781 3.781 4.274 -0.493 18840 2726 1 8 . 1 1 545 545 HIS C C 545 173.247 173.247 176.345 -3.098 18840 2727 1 8 . 1 1 545 545 HIS CA C 545 58.848 58.848 57.207 1.641 18840 2728 1 8 . 1 1 545 545 HIS CB C 545 25.314 25.314 28.909 -3.595 18840 2729 1 8 . 1 1 545 545 HIS H H 545 7.410 7.410 8.002 -0.592 18840 2730 1 8 . 1 1 546 546 SER N N 546 112.353 112.353 115.834 -3.481 18840 2731 1 8 . 1 1 546 546 SER HA H 546 4.336 4.336 4.204 0.132 18840 2732 1 8 . 1 1 546 546 SER C C 546 174.714 174.714 174.118 0.596 18840 2733 1 8 . 1 1 546 546 SER CA C 546 59.042 59.042 60.293 -1.251 18840 2734 1 8 . 1 1 546 546 SER CB C 546 63.464 63.464 63.204 0.260 18840 2735 1 8 . 1 1 546 546 SER H H 546 6.948 6.948 7.552 -0.604 18840 2736 1 8 . 1 1 547 547 MET N N 547 121.366 121.366 121.087 0.279 18840 2737 1 8 . 1 1 547 547 MET HA H 547 4.188 4.188 4.185 0.003 18840 2738 1 8 . 1 1 547 547 MET C C 547 175.421 175.421 176.312 -0.891 18840 2739 1 8 . 1 1 547 547 MET CA C 547 55.504 55.504 54.014 1.490 18840 2740 1 8 . 1 1 547 547 MET CB C 547 33.318 33.318 32.246 1.072 18840 2741 1 8 . 1 1 547 547 MET H H 547 6.821 6.821 7.047 -0.226 18840 2742 1 8 . 1 1 548 548 GLU N N 548 122.898 122.898 123.916 -1.018 18840 2743 1 8 . 1 1 548 548 GLU HA H 548 3.807 3.807 4.000 -0.193 18840 2744 1 8 . 1 1 548 548 GLU C C 548 176.918 176.918 177.245 -0.327 18840 2745 1 8 . 1 1 548 548 GLU CA C 548 58.746 58.746 58.357 0.389 18840 2746 1 8 . 1 1 548 548 GLU CB C 548 29.505 29.505 30.013 -0.508 18840 2747 1 8 . 1 1 548 548 GLU H H 548 8.515 8.515 8.470 0.045 18840 2748 1 8 . 1 1 549 549 GLY N N 549 112.898 112.898 112.471 0.427 18840 2749 1 8 . 1 1 549 549 GLY C C 549 174.645 174.645 174.682 -0.037 18840 2750 1 8 . 1 1 549 549 GLY CA C 549 45.411 45.411 45.109 0.302 18840 2751 1 8 . 1 1 549 549 GLY H H 549 8.950 8.950 8.769 0.181 18840 2752 1 8 . 1 1 550 550 LEU N N 550 118.164 118.164 119.092 -0.928 18840 2753 1 8 . 1 1 550 550 LEU HA H 550 3.928 3.928 4.325 -0.397 18840 2754 1 8 . 1 1 550 550 LEU C C 550 177.030 177.030 177.329 -0.299 18840 2755 1 8 . 1 1 550 550 LEU CA C 550 54.291 54.291 53.811 0.480 18840 2756 1 8 . 1 1 550 550 LEU CB C 550 42.968 42.968 41.358 1.610 18840 2757 1 8 . 1 1 550 550 LEU H H 550 7.702 7.702 7.449 0.253 18840 2758 1 8 . 1 1 551 551 ARG N N 551 115.914 115.914 118.610 -2.696 18840 2759 1 8 . 1 1 551 551 ARG HA H 551 4.405 4.405 4.116 0.289 18840 2760 1 8 . 1 1 551 551 ARG C C 551 177.206 177.206 176.826 0.380 18840 2761 1 8 . 1 1 551 551 ARG CA C 551 58.406 58.406 57.046 1.360 18840 2762 1 8 . 1 1 551 551 ARG CB C 551 30.360 30.360 28.682 1.678 18840 2763 1 8 . 1 1 551 551 ARG H H 551 7.299 7.299 8.320 -1.021 18840 2764 1 8 . 1 1 552 552 HIS N N 552 113.766 113.766 114.487 -0.721 18840 2765 1 8 . 1 1 552 552 HIS HA H 552 4.692 4.692 4.689 0.003 18840 2766 1 8 . 1 1 552 552 HIS C C 552 175.959 175.959 174.239 1.720 18840 2767 1 8 . 1 1 552 552 HIS CA C 552 56.223 56.223 55.211 1.012 18840 2768 1 8 . 1 1 552 552 HIS CB C 552 30.228 30.228 29.168 1.060 18840 2769 1 8 . 1 1 552 552 HIS H H 552 8.480 8.480 8.133 0.347 18840 2770 1 8 . 1 1 553 553 HIS N N 553 122.502 122.502 120.954 1.548 18840 2771 1 8 . 1 1 553 553 HIS HA H 553 4.459 4.459 4.413 0.046 18840 2772 1 8 . 1 1 553 553 HIS C C 553 174.820 174.820 174.264 0.556 18840 2773 1 8 . 1 1 553 553 HIS CA C 553 55.553 55.553 56.055 -0.502 18840 2774 1 8 . 1 1 553 553 HIS CB C 553 31.320 31.320 30.559 0.761 18840 2775 1 8 . 1 1 553 553 HIS H H 553 6.954 6.954 7.307 -0.353 18840 2776 1 8 . 1 1 554 554 SER N N 554 117.586 117.586 116.316 1.270 18840 2777 1 8 . 1 1 554 554 SER HA H 554 5.128 5.128 4.868 0.260 18840 2778 1 8 . 1 1 554 554 SER CA C 554 55.199 55.199 55.703 -0.503 18840 2779 1 8 . 1 1 554 554 SER CB C 554 64.833 64.833 66.348 -1.515 18840 2780 1 8 . 1 1 554 554 SER H H 554 8.668 8.668 8.281 0.387 18840 2781 1 8 . 1 1 555 555 PRO HA H 555 4.296 4.296 4.809 -0.513 18840 2782 1 8 . 1 1 555 555 PRO C C 555 176.447 176.447 176.580 -0.133 18840 2783 1 8 . 1 1 555 555 PRO CA C 555 63.029 63.029 62.113 0.916 18840 2784 1 8 . 1 1 555 555 PRO CB C 555 31.779 31.779 31.948 -0.169 18840 2785 1 8 . 1 1 556 556 LEU N N 556 123.469 123.469 125.425 -1.956 18840 2786 1 8 . 1 1 556 556 LEU HA H 556 4.788 4.788 4.534 0.254 18840 2787 1 8 . 1 1 556 556 LEU C C 556 176.176 176.176 176.861 -0.685 18840 2788 1 8 . 1 1 556 556 LEU CA C 556 54.247 54.247 55.000 -0.753 18840 2789 1 8 . 1 1 556 556 LEU CB C 556 44.237 44.237 42.816 1.421 18840 2790 1 8 . 1 1 556 556 LEU H H 556 8.802 8.802 8.277 0.525 18840 2791 1 8 . 1 1 557 557 MET N N 557 122.362 122.362 120.468 1.894 18840 2792 1 8 . 1 1 557 557 MET HA H 557 4.983 4.983 4.756 0.227 18840 2793 1 8 . 1 1 557 557 MET C C 557 175.983 175.983 175.207 0.776 18840 2794 1 8 . 1 1 557 557 MET CA C 557 54.641 54.641 54.344 0.297 18840 2795 1 8 . 1 1 557 557 MET CB C 557 34.181 34.181 35.379 -1.198 18840 2796 1 8 . 1 1 557 557 MET H H 557 8.624 8.624 8.222 0.402 18840 2797 1 8 . 1 1 558 558 ARG N N 558 123.450 123.450 125.201 -1.751 18840 2798 1 8 . 1 1 558 558 ARG HA H 558 4.302 4.302 4.257 0.045 18840 2799 1 8 . 1 1 558 558 ARG CA C 558 56.545 56.545 56.459 0.086 18840 2800 1 8 . 1 1 558 558 ARG CB C 558 31.139 31.139 30.816 0.323 18840 2801 1 8 . 1 1 558 558 ARG H H 558 8.901 8.901 8.488 0.413 18840 2802 1 8 . 1 1 559 559 ASN HA H 559 4.642 4.642 4.659 -0.017 18840 2803 1 8 . 1 1 559 559 ASN CA C 559 53.286 53.286 53.232 0.054 18840 2804 1 8 . 1 1 559 559 ASN CB C 559 38.877 38.877 39.293 -0.416 18840 2805 1 8 . 1 1 560 560 GLN N N 560 121.173 121.173 125.312 -4.139 18840 2806 1 8 . 1 1 560 560 GLN HA H 560 4.308 4.308 4.354 -0.046 18840 2807 1 8 . 1 1 560 560 GLN C C 560 175.883 175.883 175.551 0.332 18840 2808 1 8 . 1 1 560 560 GLN CA C 560 56.023 56.023 55.020 1.003 18840 2809 1 8 . 1 1 560 560 GLN CB C 560 29.702 29.702 27.854 1.848 18840 2810 1 8 . 1 1 560 560 GLN H H 560 8.284 8.284 8.567 -0.283 18840 2811 1 8 . 1 1 561 561 LYS N N 561 122.223 122.223 123.091 -0.868 18840 2812 1 8 . 1 1 561 561 LYS HA H 561 4.267 4.267 4.080 0.187 18840 2813 1 8 . 1 1 561 561 LYS C C 561 176.349 176.349 176.365 -0.016 18840 2814 1 8 . 1 1 561 561 LYS CA C 561 56.659 56.659 57.624 -0.965 18840 2815 1 8 . 1 1 561 561 LYS CB C 561 32.966 32.966 32.829 0.137 18840 2816 1 8 . 1 1 561 561 LYS H H 561 8.350 8.350 8.121 0.229 18840 2817 1 8 . 1 1 562 562 ASN N N 562 119.683 119.683 117.668 2.015 18840 2818 1 8 . 1 1 562 562 ASN HA H 562 4.681 4.681 4.707 -0.026 18840 2819 1 8 . 1 1 562 562 ASN C C 562 175.298 175.298 176.291 -0.993 18840 2820 1 8 . 1 1 562 562 ASN CA C 562 53.375 53.375 53.080 0.295 18840 2821 1 8 . 1 1 562 562 ASN CB C 562 38.920 38.920 38.598 0.322 18840 2822 1 8 . 1 1 562 562 ASN H H 562 8.440 8.440 8.221 0.219 18840 2823 1 8 . 1 1 563 563 ARG N N 563 121.405 121.405 121.458 -0.053 18840 2824 1 8 . 1 1 563 563 ARG HA H 563 4.315 4.315 4.176 0.139 18840 2825 1 8 . 1 1 563 563 ARG C C 563 176.088 176.088 175.427 0.661 18840 2826 1 8 . 1 1 563 563 ARG CA C 563 56.489 56.489 57.817 -1.328 18840 2827 1 8 . 1 1 563 563 ARG CB C 563 30.775 30.775 30.782 -0.007 18840 2828 1 8 . 1 1 563 563 ARG H H 563 8.333 8.333 8.494 -0.161 18840 2829 1 8 . 1 1 564 564 ASP N N 564 121.203 121.203 116.679 4.524 18840 2830 1 8 . 1 1 564 564 ASP HA H 564 4.667 4.667 4.720 -0.053 18840 2831 1 8 . 1 1 564 564 ASP C C 564 176.148 176.148 174.291 1.857 18840 2832 1 8 . 1 1 564 564 ASP CA C 564 54.597 54.597 53.312 1.285 18840 2833 1 8 . 1 1 564 564 ASP CB C 564 41.249 41.249 42.777 -1.528 18840 2834 1 8 . 1 1 564 564 ASP H H 564 8.387 8.387 7.860 0.527 18840 2835 1 8 . 1 1 565 565 SER N N 565 116.058 116.058 115.644 0.414 18840 2836 1 8 . 1 1 565 565 SER HA H 565 4.528 4.528 4.688 -0.160 18840 2837 1 8 . 1 1 565 565 SER C C 565 173.755 173.755 173.554 0.201 18840 2838 1 8 . 1 1 565 565 SER CA C 565 58.266 58.266 57.618 0.648 18840 2839 1 8 . 1 1 565 565 SER CB C 565 64.077 64.077 65.305 -1.228 18840 2840 1 8 . 1 1 565 565 SER H H 565 8.186 8.186 8.176 0.010 18840 2841 1 9 . 1 1 503 503 PRO HA H 503 4.533 4.533 4.713 -0.180 18840 2842 1 9 . 1 1 503 503 PRO C C 503 176.777 176.777 176.810 -0.033 18840 2843 1 9 . 1 1 503 503 PRO CA C 503 62.962 62.962 62.452 0.510 18840 2844 1 9 . 1 1 503 503 PRO CB C 503 32.403 32.403 32.553 -0.150 18840 2845 1 9 . 1 1 504 504 VAL N N 504 120.734 120.734 116.524 4.210 18840 2846 1 9 . 1 1 504 504 VAL HA H 504 4.102 4.102 4.393 -0.291 18840 2847 1 9 . 1 1 504 504 VAL C C 504 175.887 175.887 175.200 0.687 18840 2848 1 9 . 1 1 504 504 VAL CA C 504 62.483 62.483 62.436 0.047 18840 2849 1 9 . 1 1 504 504 VAL CB C 504 32.864 32.864 32.336 0.528 18840 2850 1 9 . 1 1 504 504 VAL H H 504 8.290 8.290 8.241 0.049 18840 2851 1 9 . 1 1 505 505 GLN N N 505 125.069 125.069 123.284 1.785 18840 2852 1 9 . 1 1 505 505 GLN HA H 505 4.430 4.430 4.479 -0.049 18840 2853 1 9 . 1 1 505 505 GLN C C 505 175.207 175.207 174.239 0.968 18840 2854 1 9 . 1 1 505 505 GLN CA C 505 55.476 55.476 54.932 0.544 18840 2855 1 9 . 1 1 505 505 GLN CB C 505 29.918 29.918 30.654 -0.736 18840 2856 1 9 . 1 1 505 505 GLN H H 505 8.450 8.450 8.226 0.224 18840 2857 1 9 . 1 1 506 506 ILE N N 506 123.121 123.121 121.404 1.717 18840 2858 1 9 . 1 1 506 506 ILE HA H 506 4.303 4.303 4.414 -0.111 18840 2859 1 9 . 1 1 506 506 ILE C C 506 175.607 175.607 174.726 0.881 18840 2860 1 9 . 1 1 506 506 ILE CA C 506 60.346 60.346 60.106 0.240 18840 2861 1 9 . 1 1 506 506 ILE CB C 506 39.046 39.046 38.877 0.169 18840 2862 1 9 . 1 1 506 506 ILE H H 506 8.259 8.259 8.425 -0.166 18840 2863 1 9 . 1 1 507 507 ASP N N 507 126.258 126.258 129.393 -3.135 18840 2864 1 9 . 1 1 507 507 ASP HA H 507 4.909 4.909 4.810 0.099 18840 2865 1 9 . 1 1 507 507 ASP CA C 507 51.929 51.929 52.099 -0.170 18840 2866 1 9 . 1 1 507 507 ASP CB C 507 41.712 41.712 41.019 0.693 18840 2867 1 9 . 1 1 507 507 ASP H H 507 8.419 8.419 8.324 0.095 18840 2868 1 9 . 1 1 508 508 PRO HA H 508 4.304 4.304 4.225 0.079 18840 2869 1 9 . 1 1 508 508 PRO C C 508 176.539 176.539 176.005 0.534 18840 2870 1 9 . 1 1 508 508 PRO CA C 508 63.271 63.271 63.363 -0.092 18840 2871 1 9 . 1 1 508 508 PRO CB C 508 32.117 32.117 32.092 0.025 18840 2872 1 9 . 1 1 509 509 TYR N N 509 119.278 119.278 113.628 5.650 18840 2873 1 9 . 1 1 509 509 TYR HA H 509 4.486 4.486 4.133 0.353 18840 2874 1 9 . 1 1 509 509 TYR C C 509 175.814 175.814 174.434 1.380 18840 2875 1 9 . 1 1 509 509 TYR CA C 509 57.945 57.945 57.495 0.450 18840 2876 1 9 . 1 1 509 509 TYR CB C 509 37.723 37.723 35.197 2.526 18840 2877 1 9 . 1 1 509 509 TYR H H 509 8.218 8.218 7.691 0.527 18840 2878 1 9 . 1 1 510 510 LEU N N 510 122.827 122.827 121.738 1.089 18840 2879 1 9 . 1 1 510 510 LEU HA H 510 4.254 4.254 4.247 0.007 18840 2880 1 9 . 1 1 510 510 LEU C C 510 176.689 176.689 176.916 -0.227 18840 2881 1 9 . 1 1 510 510 LEU CA C 510 54.934 54.934 54.814 0.120 18840 2882 1 9 . 1 1 510 510 LEU CB C 510 42.647 42.647 41.927 0.720 18840 2883 1 9 . 1 1 510 510 LEU H H 510 7.655 7.655 7.536 0.119 18840 2884 1 9 . 1 1 511 511 GLU N N 511 120.110 120.110 123.397 -3.287 18840 2885 1 9 . 1 1 511 511 GLU HA H 511 4.234 4.234 4.532 -0.298 18840 2886 1 9 . 1 1 511 511 GLU CA C 511 55.912 55.912 56.574 -0.662 18840 2887 1 9 . 1 1 511 511 GLU CB C 511 31.398 31.398 31.073 0.325 18840 2888 1 9 . 1 1 511 511 GLU H H 511 8.223 8.223 8.859 -0.636 18840 2889 1 9 . 1 1 512 512 ASP N N 512 120.430 120.430 119.465 0.965 18840 2890 1 9 . 1 1 512 512 ASP HA H 512 4.439 4.439 5.088 -0.649 18840 2891 1 9 . 1 1 512 512 ASP C C 512 175.742 175.742 174.756 0.986 18840 2892 1 9 . 1 1 512 512 ASP CA C 512 54.405 54.405 54.538 -0.133 18840 2893 1 9 . 1 1 512 512 ASP CB C 512 40.977 40.977 41.425 -0.448 18840 2894 1 9 . 1 1 512 512 ASP H H 512 8.258 8.258 8.489 -0.231 18840 2895 1 9 . 1 1 513 513 SER N N 513 116.712 116.712 116.218 0.494 18840 2896 1 9 . 1 1 513 513 SER HA H 513 4.282 4.282 4.525 -0.243 18840 2897 1 9 . 1 1 513 513 SER C C 513 174.628 174.628 174.232 0.396 18840 2898 1 9 . 1 1 513 513 SER CA C 513 57.783 57.783 58.628 -0.845 18840 2899 1 9 . 1 1 513 513 SER CB C 513 64.481 64.481 64.124 0.357 18840 2900 1 9 . 1 1 513 513 SER H H 513 8.004 8.004 8.205 -0.201 18840 2901 1 9 . 1 1 514 514 LEU N N 514 124.291 124.291 123.188 1.103 18840 2902 1 9 . 1 1 514 514 LEU HA H 514 4.360 4.360 4.306 0.054 18840 2903 1 9 . 1 1 514 514 LEU C C 514 176.422 176.422 176.222 0.200 18840 2904 1 9 . 1 1 514 514 LEU CA C 514 54.896 54.896 55.316 -0.420 18840 2905 1 9 . 1 1 514 514 LEU CB C 514 43.711 43.711 43.206 0.505 18840 2906 1 9 . 1 1 514 514 LEU H H 514 8.248 8.248 8.237 0.011 18840 2907 1 9 . 1 1 515 515 CYS N N 515 121.802 121.802 127.119 -5.317 18840 2908 1 9 . 1 1 515 515 CYS HA H 515 3.818 3.818 4.566 -0.748 18840 2909 1 9 . 1 1 515 515 CYS C C 515 177.418 177.418 176.134 1.284 18840 2910 1 9 . 1 1 515 515 CYS CA C 515 60.542 60.542 58.820 1.722 18840 2911 1 9 . 1 1 515 515 CYS CB C 515 31.859 31.859 26.881 4.978 18840 2912 1 9 . 1 1 515 515 CYS H H 515 8.418 8.418 8.337 0.081 18840 2913 1 9 . 1 1 516 516 HIS N N 516 129.671 129.671 127.843 1.828 18840 2914 1 9 . 1 1 516 516 HIS HA H 516 4.497 4.497 4.416 0.081 18840 2915 1 9 . 1 1 516 516 HIS C C 516 175.845 175.845 175.069 0.776 18840 2916 1 9 . 1 1 516 516 HIS CA C 516 58.672 58.672 57.471 1.201 18840 2917 1 9 . 1 1 516 516 HIS CB C 516 31.910 31.910 29.069 2.841 18840 2918 1 9 . 1 1 516 516 HIS H H 516 9.149 9.149 9.070 0.079 18840 2919 1 9 . 1 1 517 517 ILE N N 517 121.766 121.766 118.484 3.282 18840 2920 1 9 . 1 1 517 517 ILE HA H 517 4.170 4.170 3.604 0.566 18840 2921 1 9 . 1 1 517 517 ILE C C 517 177.448 177.448 177.445 0.003 18840 2922 1 9 . 1 1 517 517 ILE CA C 517 61.900 61.900 62.115 -0.215 18840 2923 1 9 . 1 1 517 517 ILE CB C 517 35.256 35.256 37.234 -1.978 18840 2924 1 9 . 1 1 517 517 ILE H H 517 9.347 9.347 7.762 1.585 18840 2925 1 9 . 1 1 518 518 CYS N N 518 118.774 118.774 114.458 4.316 18840 2926 1 9 . 1 1 518 518 CYS HA H 518 4.772 4.772 4.504 0.268 18840 2927 1 9 . 1 1 518 518 CYS C C 518 176.883 176.883 176.091 0.792 18840 2928 1 9 . 1 1 518 518 CYS CA C 518 59.309 59.309 58.346 0.963 18840 2929 1 9 . 1 1 518 518 CYS CB C 518 31.994 31.994 29.555 2.439 18840 2930 1 9 . 1 1 518 518 CYS H H 518 8.564 8.564 8.216 0.348 18840 2931 1 9 . 1 1 519 519 SER N N 519 116.362 116.362 116.486 -0.124 18840 2932 1 9 . 1 1 519 519 SER HA H 519 4.403 4.403 4.179 0.224 18840 2933 1 9 . 1 1 519 519 SER C C 519 174.258 174.258 174.481 -0.223 18840 2934 1 9 . 1 1 519 519 SER CA C 519 60.236 60.236 59.221 1.015 18840 2935 1 9 . 1 1 519 519 SER CB C 519 62.727 62.727 61.977 0.750 18840 2936 1 9 . 1 1 519 519 SER H H 519 7.619 7.619 8.697 -1.078 18840 2937 1 9 . 1 1 520 520 SER N N 520 113.506 113.506 113.589 -0.083 18840 2938 1 9 . 1 1 520 520 SER HA H 520 4.832 4.832 4.516 0.316 18840 2939 1 9 . 1 1 520 520 SER C C 520 172.953 172.953 173.908 -0.955 18840 2940 1 9 . 1 1 520 520 SER CA C 520 58.849 58.849 58.531 0.318 18840 2941 1 9 . 1 1 520 520 SER CB C 520 65.701 65.701 64.632 1.069 18840 2942 1 9 . 1 1 520 520 SER H H 520 8.328 8.328 8.011 0.317 18840 2943 1 9 . 1 1 521 521 GLN N N 521 118.652 118.652 119.602 -0.950 18840 2944 1 9 . 1 1 521 521 GLN HA H 521 4.932 4.932 4.859 0.073 18840 2945 1 9 . 1 1 521 521 GLN CA C 521 52.845 52.845 53.540 -0.695 18840 2946 1 9 . 1 1 521 521 GLN CB C 521 30.606 30.606 29.088 1.518 18840 2947 1 9 . 1 1 521 521 GLN H H 521 7.416 7.416 7.768 -0.352 18840 2948 1 9 . 1 1 522 522 PRO HA H 522 4.415 4.415 4.845 -0.430 18840 2949 1 9 . 1 1 522 522 PRO C C 522 175.086 175.086 176.978 -1.892 18840 2950 1 9 . 1 1 522 522 PRO CA C 522 63.782 63.782 62.527 1.255 18840 2951 1 9 . 1 1 522 522 PRO CB C 522 32.536 32.536 32.485 0.051 18840 2952 1 9 . 1 1 523 523 GLY N N 523 110.217 110.217 108.751 1.466 18840 2953 1 9 . 1 1 523 523 GLY CA C 523 46.095 46.095 42.844 3.251 18840 2954 1 9 . 1 1 523 523 GLY H H 523 8.909 8.909 8.036 0.873 18840 2955 1 9 . 1 1 524 524 PRO HA H 524 4.457 4.457 4.128 0.329 18840 2956 1 9 . 1 1 524 524 PRO C C 524 176.040 176.040 175.839 0.201 18840 2957 1 9 . 1 1 524 524 PRO CA C 524 63.115 63.115 63.214 -0.099 18840 2958 1 9 . 1 1 524 524 PRO CB C 524 32.830 32.830 32.274 0.556 18840 2959 1 9 . 1 1 525 525 PHE N N 525 116.223 116.223 118.811 -2.588 18840 2960 1 9 . 1 1 525 525 PHE HA H 525 5.039 5.039 4.929 0.110 18840 2961 1 9 . 1 1 525 525 PHE C C 525 174.437 174.437 174.853 -0.416 18840 2962 1 9 . 1 1 525 525 PHE CA C 525 56.080 56.080 56.722 -0.642 18840 2963 1 9 . 1 1 525 525 PHE CB C 525 39.780 39.780 40.275 -0.495 18840 2964 1 9 . 1 1 525 525 PHE H H 525 8.148 8.148 7.380 0.768 18840 2965 1 9 . 1 1 526 526 PHE N N 526 125.861 125.861 124.691 1.170 18840 2966 1 9 . 1 1 526 526 PHE HA H 526 5.102 5.102 5.585 -0.483 18840 2967 1 9 . 1 1 526 526 PHE C C 526 175.221 175.221 174.143 1.078 18840 2968 1 9 . 1 1 526 526 PHE CA C 526 56.865 56.865 56.083 0.782 18840 2969 1 9 . 1 1 526 526 PHE CB C 526 41.661 41.661 42.562 -0.901 18840 2970 1 9 . 1 1 526 526 PHE H H 526 9.522 9.522 9.039 0.483 18840 2971 1 9 . 1 1 527 527 CYS N N 527 128.663 128.663 128.141 0.522 18840 2972 1 9 . 1 1 527 527 CYS HA H 527 4.931 4.931 5.127 -0.196 18840 2973 1 9 . 1 1 527 527 CYS C C 527 174.052 174.052 174.353 -0.301 18840 2974 1 9 . 1 1 527 527 CYS CA C 527 58.267 58.267 56.568 1.699 18840 2975 1 9 . 1 1 527 527 CYS CB C 527 31.075 31.075 29.748 1.327 18840 2976 1 9 . 1 1 527 527 CYS H H 527 7.723 7.723 8.645 -0.922 18840 2977 1 9 . 1 1 528 528 ARG N N 528 125.354 125.354 125.751 -0.397 18840 2978 1 9 . 1 1 528 528 ARG HA H 528 4.148 4.148 4.468 -0.320 18840 2979 1 9 . 1 1 528 528 ARG C C 528 175.406 175.406 176.180 -0.774 18840 2980 1 9 . 1 1 528 528 ARG CA C 528 55.971 55.971 55.043 0.928 18840 2981 1 9 . 1 1 528 528 ARG CB C 528 31.165 31.165 30.026 1.139 18840 2982 1 9 . 1 1 528 528 ARG H H 528 8.866 8.866 8.756 0.110 18840 2983 1 9 . 1 1 529 529 ASP N N 529 124.001 124.001 121.532 2.469 18840 2984 1 9 . 1 1 529 529 ASP HA H 529 4.203 4.203 4.482 -0.279 18840 2985 1 9 . 1 1 529 529 ASP C C 529 178.105 178.105 176.971 1.134 18840 2986 1 9 . 1 1 529 529 ASP CA C 529 56.288 56.288 54.164 2.124 18840 2987 1 9 . 1 1 529 529 ASP CB C 529 43.574 43.574 42.202 1.372 18840 2988 1 9 . 1 1 529 529 ASP H H 529 8.198 8.198 7.408 0.790 18840 2989 1 9 . 1 1 530 530 GLN N N 530 125.372 125.372 122.840 2.532 18840 2990 1 9 . 1 1 530 530 GLN HA H 530 3.894 3.894 4.046 -0.152 18840 2991 1 9 . 1 1 530 530 GLN C C 530 177.471 177.471 177.180 0.291 18840 2992 1 9 . 1 1 530 530 GLN CA C 530 59.159 59.159 58.023 1.136 18840 2993 1 9 . 1 1 530 530 GLN CB C 530 28.731 28.731 28.898 -0.167 18840 2994 1 9 . 1 1 530 530 GLN H H 530 8.746 8.746 8.636 0.110 18840 2995 1 9 . 1 1 531 531 VAL N N 531 113.137 113.137 117.933 -4.796 18840 2996 1 9 . 1 1 531 531 VAL HA H 531 4.282 4.282 3.740 0.542 18840 2997 1 9 . 1 1 531 531 VAL C C 531 176.295 176.295 176.516 -0.221 18840 2998 1 9 . 1 1 531 531 VAL CA C 531 63.324 63.324 65.406 -2.082 18840 2999 1 9 . 1 1 531 531 VAL CB C 531 31.457 31.457 32.422 -0.965 18840 3000 1 9 . 1 1 531 531 VAL H H 531 8.659 8.659 8.855 -0.196 18840 3001 1 9 . 1 1 532 532 CYS N N 532 121.034 121.034 115.850 5.184 18840 3002 1 9 . 1 1 532 532 CYS HA H 532 4.568 4.568 4.730 -0.162 18840 3003 1 9 . 1 1 532 532 CYS C C 532 172.994 172.994 174.776 -1.782 18840 3004 1 9 . 1 1 532 532 CYS CA C 532 60.437 60.437 59.704 0.733 18840 3005 1 9 . 1 1 532 532 CYS CB C 532 31.856 31.856 29.019 2.837 18840 3006 1 9 . 1 1 532 532 CYS H H 532 8.023 8.023 7.449 0.574 18840 3007 1 9 . 1 1 533 533 PHE N N 533 129.389 129.389 120.441 8.948 18840 3008 1 9 . 1 1 533 533 PHE HA H 533 4.197 4.197 4.293 -0.096 18840 3009 1 9 . 1 1 533 533 PHE C C 533 174.830 174.830 173.998 0.832 18840 3010 1 9 . 1 1 533 533 PHE CA C 533 59.754 59.754 58.772 0.982 18840 3011 1 9 . 1 1 533 533 PHE CB C 533 38.260 38.260 37.446 0.814 18840 3012 1 9 . 1 1 533 533 PHE H H 533 7.928 7.928 8.122 -0.194 18840 3013 1 9 . 1 1 534 534 LYS N N 534 113.676 113.676 114.870 -1.194 18840 3014 1 9 . 1 1 534 534 LYS HA H 534 4.466 4.466 4.519 -0.053 18840 3015 1 9 . 1 1 534 534 LYS C C 534 173.055 173.055 174.173 -1.118 18840 3016 1 9 . 1 1 534 534 LYS CA C 534 54.068 54.068 54.749 -0.681 18840 3017 1 9 . 1 1 534 534 LYS CB C 534 37.800 37.800 35.181 2.619 18840 3018 1 9 . 1 1 534 534 LYS H H 534 6.430 6.430 7.419 -0.989 18840 3019 1 9 . 1 1 535 535 TYR N N 535 117.686 117.686 118.478 -0.792 18840 3020 1 9 . 1 1 535 535 TYR HA H 535 5.165 5.165 5.880 -0.715 18840 3021 1 9 . 1 1 535 535 TYR C C 535 175.888 175.888 175.936 -0.048 18840 3022 1 9 . 1 1 535 535 TYR CA C 535 58.593 58.593 55.903 2.690 18840 3023 1 9 . 1 1 535 535 TYR CB C 535 40.020 40.020 39.947 0.073 18840 3024 1 9 . 1 1 535 535 TYR H H 535 7.145 7.145 8.451 -1.306 18840 3025 1 9 . 1 1 536 536 PHE N N 536 117.497 117.497 116.879 0.618 18840 3026 1 9 . 1 1 536 536 PHE HA H 536 6.399 6.399 5.073 1.326 18840 3027 1 9 . 1 1 536 536 PHE C C 536 177.127 177.127 175.347 1.780 18840 3028 1 9 . 1 1 536 536 PHE CA C 536 57.056 57.056 57.030 0.026 18840 3029 1 9 . 1 1 536 536 PHE CB C 536 45.217 45.217 44.054 1.163 18840 3030 1 9 . 1 1 536 536 PHE H H 536 9.608 9.608 8.968 0.640 18840 3031 1 9 . 1 1 537 537 CYS N N 537 119.624 119.624 120.543 -0.919 18840 3032 1 9 . 1 1 537 537 CYS HA H 537 5.499 5.499 4.892 0.607 18840 3033 1 9 . 1 1 537 537 CYS C C 537 176.128 176.128 176.346 -0.218 18840 3034 1 9 . 1 1 537 537 CYS CA C 537 58.097 58.097 58.646 -0.549 18840 3035 1 9 . 1 1 537 537 CYS CB C 537 32.306 32.306 29.364 2.942 18840 3036 1 9 . 1 1 537 537 CYS H H 537 9.777 9.777 9.037 0.740 18840 3037 1 9 . 1 1 538 538 ARG N N 538 120.573 120.573 122.297 -1.724 18840 3038 1 9 . 1 1 538 538 ARG HA H 538 3.791 3.791 4.148 -0.357 18840 3039 1 9 . 1 1 538 538 ARG C C 538 178.403 178.403 178.204 0.199 18840 3040 1 9 . 1 1 538 538 ARG CA C 538 60.937 60.937 61.154 -0.217 18840 3041 1 9 . 1 1 538 538 ARG CB C 538 30.392 30.392 30.177 0.215 18840 3042 1 9 . 1 1 538 538 ARG H H 538 9.375 9.375 9.091 0.284 18840 3043 1 9 . 1 1 539 539 SER N N 539 114.562 114.562 113.492 1.070 18840 3044 1 9 . 1 1 539 539 SER HA H 539 4.491 4.491 4.356 0.135 18840 3045 1 9 . 1 1 539 539 SER C C 539 178.610 178.610 176.445 2.165 18840 3046 1 9 . 1 1 539 539 SER CA C 539 62.159 62.159 61.675 0.484 18840 3047 1 9 . 1 1 539 539 SER CB C 539 62.934 62.934 63.092 -0.158 18840 3048 1 9 . 1 1 539 539 SER H H 539 8.549 8.549 8.884 -0.335 18840 3049 1 9 . 1 1 540 540 CYS N N 540 126.990 126.990 121.295 5.695 18840 3050 1 9 . 1 1 540 540 CYS HA H 540 4.454 4.454 4.601 -0.147 18840 3051 1 9 . 1 1 540 540 CYS C C 540 178.546 178.546 176.985 1.561 18840 3052 1 9 . 1 1 540 540 CYS CA C 540 65.024 65.024 61.621 3.403 18840 3053 1 9 . 1 1 540 540 CYS CB C 540 30.747 30.747 26.520 4.227 18840 3054 1 9 . 1 1 540 540 CYS H H 540 9.534 9.534 8.385 1.149 18840 3055 1 9 . 1 1 541 541 TRP N N 541 121.037 121.037 122.353 -1.316 18840 3056 1 9 . 1 1 541 541 TRP HA H 541 3.319 3.319 4.179 -0.860 18840 3057 1 9 . 1 1 541 541 TRP C C 541 179.671 179.671 177.832 1.839 18840 3058 1 9 . 1 1 541 541 TRP CA C 541 62.783 62.783 61.136 1.647 18840 3059 1 9 . 1 1 541 541 TRP CB C 541 27.747 27.747 29.045 -1.298 18840 3060 1 9 . 1 1 541 541 TRP H H 541 9.632 9.632 9.107 0.525 18840 3061 1 9 . 1 1 542 542 HIS N N 542 119.251 119.251 120.487 -1.236 18840 3062 1 9 . 1 1 542 542 HIS HA H 542 4.330 4.330 4.303 0.027 18840 3063 1 9 . 1 1 542 542 HIS C C 542 177.291 177.291 177.283 0.008 18840 3064 1 9 . 1 1 542 542 HIS CA C 542 59.909 59.909 61.390 -1.481 18840 3065 1 9 . 1 1 542 542 HIS CB C 542 30.594 30.594 29.969 0.625 18840 3066 1 9 . 1 1 542 542 HIS H H 542 8.073 8.073 8.420 -0.347 18840 3067 1 9 . 1 1 543 543 TRP N N 543 121.212 121.212 121.082 0.130 18840 3068 1 9 . 1 1 543 543 TRP HA H 543 4.231 4.231 4.196 0.035 18840 3069 1 9 . 1 1 543 543 TRP C C 543 178.256 178.256 177.549 0.707 18840 3070 1 9 . 1 1 543 543 TRP CA C 543 60.959 60.959 62.061 -1.102 18840 3071 1 9 . 1 1 543 543 TRP CB C 543 28.593 28.593 29.583 -0.990 18840 3072 1 9 . 1 1 543 543 TRP H H 543 8.200 8.200 8.315 -0.115 18840 3073 1 9 . 1 1 544 544 ARG N N 544 118.044 118.044 118.221 -0.177 18840 3074 1 9 . 1 1 544 544 ARG HA H 544 3.199 3.199 3.536 -0.337 18840 3075 1 9 . 1 1 544 544 ARG C C 544 176.093 176.093 178.423 -2.330 18840 3076 1 9 . 1 1 544 544 ARG CA C 544 57.149 57.149 58.043 -0.894 18840 3077 1 9 . 1 1 544 544 ARG CB C 544 29.942 29.942 29.331 0.611 18840 3078 1 9 . 1 1 544 544 ARG H H 544 8.194 8.194 8.171 0.023 18840 3079 1 9 . 1 1 545 545 HIS N N 545 109.049 109.049 115.403 -6.354 18840 3080 1 9 . 1 1 545 545 HIS HA H 545 3.781 3.781 4.217 -0.436 18840 3081 1 9 . 1 1 545 545 HIS C C 545 173.247 173.247 176.131 -2.884 18840 3082 1 9 . 1 1 545 545 HIS CA C 545 58.848 58.848 57.278 1.571 18840 3083 1 9 . 1 1 545 545 HIS CB C 545 25.314 25.314 29.062 -3.748 18840 3084 1 9 . 1 1 545 545 HIS H H 545 7.410 7.410 7.911 -0.501 18840 3085 1 9 . 1 1 546 546 SER N N 546 112.353 112.353 116.267 -3.914 18840 3086 1 9 . 1 1 546 546 SER HA H 546 4.336 4.336 4.043 0.293 18840 3087 1 9 . 1 1 546 546 SER C C 546 174.714 174.714 173.776 0.938 18840 3088 1 9 . 1 1 546 546 SER CA C 546 59.042 59.042 60.875 -1.833 18840 3089 1 9 . 1 1 546 546 SER CB C 546 63.464 63.464 63.044 0.420 18840 3090 1 9 . 1 1 546 546 SER H H 546 6.948 6.948 7.480 -0.532 18840 3091 1 9 . 1 1 547 547 MET N N 547 121.366 121.366 120.642 0.724 18840 3092 1 9 . 1 1 547 547 MET HA H 547 4.188 4.188 4.100 0.088 18840 3093 1 9 . 1 1 547 547 MET C C 547 175.421 175.421 176.132 -0.711 18840 3094 1 9 . 1 1 547 547 MET CA C 547 55.504 55.504 53.986 1.518 18840 3095 1 9 . 1 1 547 547 MET CB C 547 33.318 33.318 31.753 1.565 18840 3096 1 9 . 1 1 547 547 MET H H 547 6.821 6.821 7.048 -0.227 18840 3097 1 9 . 1 1 548 548 GLU N N 548 122.898 122.898 124.212 -1.314 18840 3098 1 9 . 1 1 548 548 GLU HA H 548 3.807 3.807 4.024 -0.217 18840 3099 1 9 . 1 1 548 548 GLU C C 548 176.918 176.918 177.285 -0.367 18840 3100 1 9 . 1 1 548 548 GLU CA C 548 58.746 58.746 58.278 0.468 18840 3101 1 9 . 1 1 548 548 GLU CB C 548 29.505 29.505 29.748 -0.244 18840 3102 1 9 . 1 1 548 548 GLU H H 548 8.515 8.515 8.552 -0.037 18840 3103 1 9 . 1 1 549 549 GLY N N 549 112.898 112.898 110.555 2.343 18840 3104 1 9 . 1 1 549 549 GLY C C 549 174.645 174.645 174.819 -0.174 18840 3105 1 9 . 1 1 549 549 GLY CA C 549 45.411 45.411 45.058 0.353 18840 3106 1 9 . 1 1 549 549 GLY H H 549 8.950 8.950 8.815 0.135 18840 3107 1 9 . 1 1 550 550 LEU N N 550 118.164 118.164 119.411 -1.247 18840 3108 1 9 . 1 1 550 550 LEU HA H 550 3.928 3.928 4.259 -0.331 18840 3109 1 9 . 1 1 550 550 LEU C C 550 177.030 177.030 177.507 -0.477 18840 3110 1 9 . 1 1 550 550 LEU CA C 550 54.291 54.291 53.931 0.360 18840 3111 1 9 . 1 1 550 550 LEU CB C 550 42.968 42.968 41.598 1.370 18840 3112 1 9 . 1 1 550 550 LEU H H 550 7.702 7.702 7.370 0.332 18840 3113 1 9 . 1 1 551 551 ARG N N 551 115.914 115.914 118.392 -2.478 18840 3114 1 9 . 1 1 551 551 ARG HA H 551 4.405 4.405 4.099 0.306 18840 3115 1 9 . 1 1 551 551 ARG C C 551 177.206 177.206 176.454 0.752 18840 3116 1 9 . 1 1 551 551 ARG CA C 551 58.406 58.406 57.682 0.723 18840 3117 1 9 . 1 1 551 551 ARG CB C 551 30.360 30.360 29.630 0.731 18840 3118 1 9 . 1 1 551 551 ARG H H 551 7.299 7.299 8.286 -0.987 18840 3119 1 9 . 1 1 552 552 HIS N N 552 113.766 113.766 114.791 -1.025 18840 3120 1 9 . 1 1 552 552 HIS HA H 552 4.692 4.692 4.752 -0.060 18840 3121 1 9 . 1 1 552 552 HIS C C 552 175.959 175.959 174.955 1.004 18840 3122 1 9 . 1 1 552 552 HIS CA C 552 56.223 56.223 55.067 1.156 18840 3123 1 9 . 1 1 552 552 HIS CB C 552 30.228 30.228 29.264 0.964 18840 3124 1 9 . 1 1 552 552 HIS H H 552 8.480 8.480 8.078 0.402 18840 3125 1 9 . 1 1 553 553 HIS N N 553 122.502 122.502 120.093 2.409 18840 3126 1 9 . 1 1 553 553 HIS HA H 553 4.459 4.459 4.425 0.034 18840 3127 1 9 . 1 1 553 553 HIS C C 553 174.820 174.820 174.557 0.263 18840 3128 1 9 . 1 1 553 553 HIS CA C 553 55.553 55.553 55.785 -0.232 18840 3129 1 9 . 1 1 553 553 HIS CB C 553 31.320 31.320 30.594 0.726 18840 3130 1 9 . 1 1 553 553 HIS H H 553 6.954 6.954 7.314 -0.360 18840 3131 1 9 . 1 1 554 554 SER N N 554 117.586 117.586 115.354 2.232 18840 3132 1 9 . 1 1 554 554 SER HA H 554 5.128 5.128 4.801 0.327 18840 3133 1 9 . 1 1 554 554 SER CA C 554 55.199 55.199 55.064 0.135 18840 3134 1 9 . 1 1 554 554 SER CB C 554 64.833 64.833 64.866 -0.033 18840 3135 1 9 . 1 1 554 554 SER H H 554 8.668 8.668 8.455 0.213 18840 3136 1 9 . 1 1 555 555 PRO HA H 555 4.296 4.296 4.094 0.202 18840 3137 1 9 . 1 1 555 555 PRO C C 555 176.447 176.447 175.784 0.663 18840 3138 1 9 . 1 1 555 555 PRO CA C 555 63.029 63.029 61.996 1.033 18840 3139 1 9 . 1 1 555 555 PRO CB C 555 31.779 31.779 30.983 0.796 18840 3140 1 9 . 1 1 556 556 LEU N N 556 123.469 123.469 126.288 -2.819 18840 3141 1 9 . 1 1 556 556 LEU HA H 556 4.788 4.788 4.647 0.141 18840 3142 1 9 . 1 1 556 556 LEU C C 556 176.176 176.176 177.575 -1.399 18840 3143 1 9 . 1 1 556 556 LEU CA C 556 54.247 54.247 53.858 0.389 18840 3144 1 9 . 1 1 556 556 LEU CB C 556 44.237 44.237 44.102 0.135 18840 3145 1 9 . 1 1 556 556 LEU H H 556 8.802 8.802 8.991 -0.189 18840 3146 1 9 . 1 1 557 557 MET N N 557 122.362 122.362 118.572 3.790 18840 3147 1 9 . 1 1 557 557 MET HA H 557 4.983 4.983 4.853 0.130 18840 3148 1 9 . 1 1 557 557 MET C C 557 175.983 175.983 176.224 -0.241 18840 3149 1 9 . 1 1 557 557 MET CA C 557 54.641 54.641 55.125 -0.484 18840 3150 1 9 . 1 1 557 557 MET CB C 557 34.181 34.181 34.350 -0.169 18840 3151 1 9 . 1 1 557 557 MET H H 557 8.624 8.624 8.329 0.295 18840 3152 1 9 . 1 1 558 558 ARG N N 558 123.450 123.450 121.819 1.631 18840 3153 1 9 . 1 1 558 558 ARG HA H 558 4.302 4.302 4.353 -0.051 18840 3154 1 9 . 1 1 558 558 ARG CA C 558 56.545 56.545 56.139 0.406 18840 3155 1 9 . 1 1 558 558 ARG CB C 558 31.139 31.139 30.940 0.199 18840 3156 1 9 . 1 1 558 558 ARG H H 558 8.901 8.901 8.557 0.344 18840 3157 1 9 . 1 1 559 559 ASN HA H 559 4.642 4.642 4.545 0.097 18840 3158 1 9 . 1 1 559 559 ASN CA C 559 53.286 53.286 54.055 -0.769 18840 3159 1 9 . 1 1 559 559 ASN CB C 559 38.877 38.877 39.119 -0.242 18840 3160 1 9 . 1 1 560 560 GLN N N 560 121.173 121.173 121.508 -0.335 18840 3161 1 9 . 1 1 560 560 GLN HA H 560 4.308 4.308 4.472 -0.164 18840 3162 1 9 . 1 1 560 560 GLN C C 560 175.883 175.883 174.191 1.692 18840 3163 1 9 . 1 1 560 560 GLN CA C 560 56.023 56.023 55.358 0.664 18840 3164 1 9 . 1 1 560 560 GLN CB C 560 29.702 29.702 30.540 -0.838 18840 3165 1 9 . 1 1 560 560 GLN H H 560 8.284 8.284 8.678 -0.394 18840 3166 1 9 . 1 1 561 561 LYS N N 561 122.223 122.223 120.687 1.536 18840 3167 1 9 . 1 1 561 561 LYS HA H 561 4.267 4.267 4.590 -0.323 18840 3168 1 9 . 1 1 561 561 LYS C C 561 176.349 176.349 175.297 1.052 18840 3169 1 9 . 1 1 561 561 LYS CA C 561 56.659 56.659 56.047 0.612 18840 3170 1 9 . 1 1 561 561 LYS CB C 561 32.966 32.966 33.527 -0.561 18840 3171 1 9 . 1 1 561 561 LYS H H 561 8.350 8.350 8.444 -0.094 18840 3172 1 9 . 1 1 562 562 ASN N N 562 119.683 119.683 119.016 0.667 18840 3173 1 9 . 1 1 562 562 ASN HA H 562 4.681 4.681 5.066 -0.385 18840 3174 1 9 . 1 1 562 562 ASN C C 562 175.298 175.298 173.179 2.119 18840 3175 1 9 . 1 1 562 562 ASN CA C 562 53.375 53.375 52.478 0.897 18840 3176 1 9 . 1 1 562 562 ASN CB C 562 38.920 38.920 40.821 -1.901 18840 3177 1 9 . 1 1 562 562 ASN H H 562 8.440 8.440 8.238 0.202 18840 3178 1 9 . 1 1 563 563 ARG N N 563 121.405 121.405 121.406 -0.001 18840 3179 1 9 . 1 1 563 563 ARG HA H 563 4.315 4.315 4.622 -0.307 18840 3180 1 9 . 1 1 563 563 ARG C C 563 176.088 176.088 174.550 1.538 18840 3181 1 9 . 1 1 563 563 ARG CA C 563 56.489 56.489 55.566 0.922 18840 3182 1 9 . 1 1 563 563 ARG CB C 563 30.775 30.775 32.130 -1.355 18840 3183 1 9 . 1 1 563 563 ARG H H 563 8.333 8.333 8.710 -0.377 18840 3184 1 9 . 1 1 564 564 ASP N N 564 121.203 121.203 123.258 -2.055 18840 3185 1 9 . 1 1 564 564 ASP HA H 564 4.667 4.667 4.731 -0.064 18840 3186 1 9 . 1 1 564 564 ASP C C 564 176.148 176.148 175.309 0.839 18840 3187 1 9 . 1 1 564 564 ASP CA C 564 54.597 54.597 54.508 0.089 18840 3188 1 9 . 1 1 564 564 ASP CB C 564 41.249 41.249 41.966 -0.717 18840 3189 1 9 . 1 1 564 564 ASP H H 564 8.387 8.387 8.330 0.057 18840 3190 1 9 . 1 1 565 565 SER N N 565 116.058 116.058 115.321 0.737 18840 3191 1 9 . 1 1 565 565 SER HA H 565 4.528 4.528 4.628 -0.100 18840 3192 1 9 . 1 1 565 565 SER C C 565 173.755 173.755 174.508 -0.753 18840 3193 1 9 . 1 1 565 565 SER CA C 565 58.266 58.266 57.892 0.374 18840 3194 1 9 . 1 1 565 565 SER CB C 565 64.077 64.077 63.978 0.099 18840 3195 1 9 . 1 1 565 565 SER H H 565 8.186 8.186 8.250 -0.064 18840 3196 1 10 . 1 1 503 503 PRO HA H 503 4.533 4.533 5.118 -0.585 18840 3197 1 10 . 1 1 503 503 PRO C C 503 176.777 176.777 175.527 1.250 18840 3198 1 10 . 1 1 503 503 PRO CA C 503 62.962 62.962 62.630 0.332 18840 3199 1 10 . 1 1 503 503 PRO CB C 503 32.403 32.403 34.052 -1.649 18840 3200 1 10 . 1 1 504 504 VAL N N 504 120.734 120.734 119.719 1.015 18840 3201 1 10 . 1 1 504 504 VAL HA H 504 4.102 4.102 4.360 -0.258 18840 3202 1 10 . 1 1 504 504 VAL C C 504 175.887 175.887 173.829 2.058 18840 3203 1 10 . 1 1 504 504 VAL CA C 504 62.483 62.483 61.632 0.851 18840 3204 1 10 . 1 1 504 504 VAL CB C 504 32.864 32.864 34.519 -1.655 18840 3205 1 10 . 1 1 504 504 VAL H H 504 8.290 8.290 8.944 -0.654 18840 3206 1 10 . 1 1 505 505 GLN N N 505 125.069 125.069 126.702 -1.633 18840 3207 1 10 . 1 1 505 505 GLN HA H 505 4.430 4.430 4.701 -0.271 18840 3208 1 10 . 1 1 505 505 GLN C C 505 175.207 175.207 175.671 -0.464 18840 3209 1 10 . 1 1 505 505 GLN CA C 505 55.476 55.476 55.408 0.068 18840 3210 1 10 . 1 1 505 505 GLN CB C 505 29.918 29.918 30.641 -0.723 18840 3211 1 10 . 1 1 505 505 GLN H H 505 8.450 8.450 8.333 0.117 18840 3212 1 10 . 1 1 506 506 ILE N N 506 123.121 123.121 118.060 5.061 18840 3213 1 10 . 1 1 506 506 ILE HA H 506 4.303 4.303 3.682 0.621 18840 3214 1 10 . 1 1 506 506 ILE C C 506 175.607 175.607 175.576 0.031 18840 3215 1 10 . 1 1 506 506 ILE CA C 506 60.346 60.346 63.003 -2.657 18840 3216 1 10 . 1 1 506 506 ILE CB C 506 39.046 39.046 37.538 1.508 18840 3217 1 10 . 1 1 506 506 ILE H H 506 8.259 8.259 8.721 -0.462 18840 3218 1 10 . 1 1 507 507 ASP N N 507 126.258 126.258 123.262 2.996 18840 3219 1 10 . 1 1 507 507 ASP HA H 507 4.909 4.909 4.812 0.097 18840 3220 1 10 . 1 1 507 507 ASP CA C 507 51.929 51.929 52.498 -0.569 18840 3221 1 10 . 1 1 507 507 ASP CB C 507 41.712 41.712 41.868 -0.156 18840 3222 1 10 . 1 1 507 507 ASP H H 507 8.419 8.419 7.920 0.499 18840 3223 1 10 . 1 1 508 508 PRO HA H 508 4.304 4.304 4.443 -0.139 18840 3224 1 10 . 1 1 508 508 PRO C C 508 176.539 176.539 176.189 0.350 18840 3225 1 10 . 1 1 508 508 PRO CA C 508 63.271 63.271 62.734 0.536 18840 3226 1 10 . 1 1 508 508 PRO CB C 508 32.117 32.117 32.425 -0.308 18840 3227 1 10 . 1 1 509 509 TYR N N 509 119.278 119.278 120.490 -1.212 18840 3228 1 10 . 1 1 509 509 TYR HA H 509 4.486 4.486 4.576 -0.090 18840 3229 1 10 . 1 1 509 509 TYR C C 509 175.814 175.814 175.116 0.698 18840 3230 1 10 . 1 1 509 509 TYR CA C 509 57.945 57.945 58.724 -0.779 18840 3231 1 10 . 1 1 509 509 TYR CB C 509 37.723 37.723 38.484 -0.761 18840 3232 1 10 . 1 1 509 509 TYR H H 509 8.218 8.218 8.175 0.043 18840 3233 1 10 . 1 1 510 510 LEU N N 510 122.827 122.827 118.361 4.466 18840 3234 1 10 . 1 1 510 510 LEU HA H 510 4.254 4.254 4.219 0.035 18840 3235 1 10 . 1 1 510 510 LEU C C 510 176.689 176.689 175.609 1.080 18840 3236 1 10 . 1 1 510 510 LEU CA C 510 54.934 54.934 54.781 0.153 18840 3237 1 10 . 1 1 510 510 LEU CB C 510 42.647 42.647 42.839 -0.192 18840 3238 1 10 . 1 1 510 510 LEU H H 510 7.655 7.655 7.086 0.569 18840 3239 1 10 . 1 1 511 511 GLU N N 511 120.110 120.110 119.379 0.731 18840 3240 1 10 . 1 1 511 511 GLU HA H 511 4.234 4.234 3.995 0.239 18840 3241 1 10 . 1 1 511 511 GLU CA C 511 55.912 55.912 56.652 -0.740 18840 3242 1 10 . 1 1 511 511 GLU CB C 511 31.398 31.398 30.069 1.329 18840 3243 1 10 . 1 1 511 511 GLU H H 511 8.223 8.223 7.463 0.760 18840 3244 1 10 . 1 1 512 512 ASP N N 512 120.430 120.430 120.512 -0.082 18840 3245 1 10 . 1 1 512 512 ASP HA H 512 4.439 4.439 4.436 0.003 18840 3246 1 10 . 1 1 512 512 ASP C C 512 175.742 175.742 175.561 0.181 18840 3247 1 10 . 1 1 512 512 ASP CA C 512 54.405 54.405 55.142 -0.737 18840 3248 1 10 . 1 1 512 512 ASP CB C 512 40.977 40.977 41.342 -0.365 18840 3249 1 10 . 1 1 512 512 ASP H H 512 8.258 8.258 8.255 0.003 18840 3250 1 10 . 1 1 513 513 SER N N 513 116.712 116.712 119.449 -2.737 18840 3251 1 10 . 1 1 513 513 SER HA H 513 4.282 4.282 4.274 0.008 18840 3252 1 10 . 1 1 513 513 SER C C 513 174.628 174.628 173.578 1.050 18840 3253 1 10 . 1 1 513 513 SER CA C 513 57.783 57.783 57.053 0.730 18840 3254 1 10 . 1 1 513 513 SER CB C 513 64.481 64.481 63.935 0.546 18840 3255 1 10 . 1 1 513 513 SER H H 513 8.004 8.004 7.370 0.633 18840 3256 1 10 . 1 1 514 514 LEU N N 514 124.291 124.291 126.602 -2.311 18840 3257 1 10 . 1 1 514 514 LEU HA H 514 4.360 4.360 4.374 -0.014 18840 3258 1 10 . 1 1 514 514 LEU C C 514 176.422 176.422 176.328 0.094 18840 3259 1 10 . 1 1 514 514 LEU CA C 514 54.896 54.896 54.626 0.271 18840 3260 1 10 . 1 1 514 514 LEU CB C 514 43.711 43.711 43.523 0.188 18840 3261 1 10 . 1 1 514 514 LEU H H 514 8.248 8.248 8.150 0.098 18840 3262 1 10 . 1 1 515 515 CYS N N 515 121.802 121.802 127.064 -5.262 18840 3263 1 10 . 1 1 515 515 CYS HA H 515 3.818 3.818 4.626 -0.808 18840 3264 1 10 . 1 1 515 515 CYS C C 515 177.418 177.418 175.797 1.621 18840 3265 1 10 . 1 1 515 515 CYS CA C 515 60.542 60.542 59.198 1.344 18840 3266 1 10 . 1 1 515 515 CYS CB C 515 31.859 31.859 26.820 5.039 18840 3267 1 10 . 1 1 515 515 CYS H H 515 8.418 8.418 8.293 0.125 18840 3268 1 10 . 1 1 516 516 HIS N N 516 129.671 129.671 127.884 1.787 18840 3269 1 10 . 1 1 516 516 HIS HA H 516 4.497 4.497 4.336 0.161 18840 3270 1 10 . 1 1 516 516 HIS C C 516 175.845 175.845 175.566 0.279 18840 3271 1 10 . 1 1 516 516 HIS CA C 516 58.672 58.672 58.971 -0.299 18840 3272 1 10 . 1 1 516 516 HIS CB C 516 31.910 31.910 30.135 1.775 18840 3273 1 10 . 1 1 516 516 HIS H H 516 9.149 9.149 8.641 0.508 18840 3274 1 10 . 1 1 517 517 ILE N N 517 121.766 121.766 117.583 4.183 18840 3275 1 10 . 1 1 517 517 ILE HA H 517 4.170 4.170 3.939 0.231 18840 3276 1 10 . 1 1 517 517 ILE C C 517 177.448 177.448 177.380 0.068 18840 3277 1 10 . 1 1 517 517 ILE CA C 517 61.900 61.900 62.461 -0.561 18840 3278 1 10 . 1 1 517 517 ILE CB C 517 35.256 35.256 37.533 -2.277 18840 3279 1 10 . 1 1 517 517 ILE H H 517 9.347 9.347 7.919 1.428 18840 3280 1 10 . 1 1 518 518 CYS N N 518 118.774 118.774 115.547 3.227 18840 3281 1 10 . 1 1 518 518 CYS HA H 518 4.772 4.772 4.385 0.387 18840 3282 1 10 . 1 1 518 518 CYS C C 518 176.883 176.883 175.826 1.057 18840 3283 1 10 . 1 1 518 518 CYS CA C 518 59.309 59.309 58.621 0.688 18840 3284 1 10 . 1 1 518 518 CYS CB C 518 31.994 31.994 29.146 2.848 18840 3285 1 10 . 1 1 518 518 CYS H H 518 8.564 8.564 8.181 0.383 18840 3286 1 10 . 1 1 519 519 SER N N 519 116.362 116.362 115.507 0.855 18840 3287 1 10 . 1 1 519 519 SER HA H 519 4.403 4.403 4.196 0.207 18840 3288 1 10 . 1 1 519 519 SER C C 519 174.258 174.258 174.327 -0.069 18840 3289 1 10 . 1 1 519 519 SER CA C 519 60.236 60.236 59.262 0.974 18840 3290 1 10 . 1 1 519 519 SER CB C 519 62.727 62.727 61.533 1.194 18840 3291 1 10 . 1 1 519 519 SER H H 519 7.619 7.619 8.277 -0.658 18840 3292 1 10 . 1 1 520 520 SER N N 520 113.506 113.506 114.657 -1.151 18840 3293 1 10 . 1 1 520 520 SER HA H 520 4.832 4.832 4.351 0.481 18840 3294 1 10 . 1 1 520 520 SER C C 520 172.953 172.953 173.779 -0.826 18840 3295 1 10 . 1 1 520 520 SER CA C 520 58.849 58.849 59.508 -0.659 18840 3296 1 10 . 1 1 520 520 SER CB C 520 65.701 65.701 64.168 1.533 18840 3297 1 10 . 1 1 520 520 SER H H 520 8.328 8.328 7.911 0.417 18840 3298 1 10 . 1 1 521 521 GLN N N 521 118.652 118.652 117.039 1.613 18840 3299 1 10 . 1 1 521 521 GLN HA H 521 4.932 4.932 4.731 0.201 18840 3300 1 10 . 1 1 521 521 GLN CA C 521 52.845 52.845 53.615 -0.770 18840 3301 1 10 . 1 1 521 521 GLN CB C 521 30.606 30.606 28.577 2.029 18840 3302 1 10 . 1 1 521 521 GLN H H 521 7.416 7.416 7.769 -0.353 18840 3303 1 10 . 1 1 522 522 PRO HA H 522 4.415 4.415 4.745 -0.330 18840 3304 1 10 . 1 1 522 522 PRO C C 522 175.086 175.086 177.012 -1.926 18840 3305 1 10 . 1 1 522 522 PRO CA C 522 63.782 63.782 62.642 1.140 18840 3306 1 10 . 1 1 522 522 PRO CB C 522 32.536 32.536 32.402 0.134 18840 3307 1 10 . 1 1 523 523 GLY N N 523 110.217 110.217 110.386 -0.169 18840 3308 1 10 . 1 1 523 523 GLY CA C 523 46.095 46.095 42.919 3.176 18840 3309 1 10 . 1 1 523 523 GLY H H 523 8.909 8.909 8.297 0.612 18840 3310 1 10 . 1 1 524 524 PRO HA H 524 4.457 4.457 4.239 0.218 18840 3311 1 10 . 1 1 524 524 PRO C C 524 176.040 176.040 176.377 -0.337 18840 3312 1 10 . 1 1 524 524 PRO CA C 524 63.115 63.115 63.594 -0.479 18840 3313 1 10 . 1 1 524 524 PRO CB C 524 32.830 32.830 32.053 0.777 18840 3314 1 10 . 1 1 525 525 PHE N N 525 116.223 116.223 118.565 -2.342 18840 3315 1 10 . 1 1 525 525 PHE HA H 525 5.039 5.039 4.613 0.426 18840 3316 1 10 . 1 1 525 525 PHE C C 525 174.437 174.437 174.615 -0.178 18840 3317 1 10 . 1 1 525 525 PHE CA C 525 56.080 56.080 57.360 -1.280 18840 3318 1 10 . 1 1 525 525 PHE CB C 525 39.780 39.780 40.198 -0.418 18840 3319 1 10 . 1 1 525 525 PHE H H 525 8.148 8.148 7.460 0.688 18840 3320 1 10 . 1 1 526 526 PHE N N 526 125.861 125.861 124.297 1.564 18840 3321 1 10 . 1 1 526 526 PHE HA H 526 5.102 5.102 5.568 -0.466 18840 3322 1 10 . 1 1 526 526 PHE C C 526 175.221 175.221 174.101 1.120 18840 3323 1 10 . 1 1 526 526 PHE CA C 526 56.865 56.865 56.516 0.349 18840 3324 1 10 . 1 1 526 526 PHE CB C 526 41.661 41.661 42.297 -0.637 18840 3325 1 10 . 1 1 526 526 PHE H H 526 9.522 9.522 8.751 0.771 18840 3326 1 10 . 1 1 527 527 CYS N N 527 128.663 128.663 128.284 0.379 18840 3327 1 10 . 1 1 527 527 CYS HA H 527 4.931 4.931 4.976 -0.045 18840 3328 1 10 . 1 1 527 527 CYS C C 527 174.052 174.052 174.323 -0.271 18840 3329 1 10 . 1 1 527 527 CYS CA C 527 58.267 58.267 56.299 1.968 18840 3330 1 10 . 1 1 527 527 CYS CB C 527 31.075 31.075 29.203 1.872 18840 3331 1 10 . 1 1 527 527 CYS H H 527 7.723 7.723 8.492 -0.769 18840 3332 1 10 . 1 1 528 528 ARG N N 528 125.354 125.354 125.593 -0.239 18840 3333 1 10 . 1 1 528 528 ARG HA H 528 4.148 4.148 4.354 -0.206 18840 3334 1 10 . 1 1 528 528 ARG C C 528 175.406 175.406 176.215 -0.809 18840 3335 1 10 . 1 1 528 528 ARG CA C 528 55.971 55.971 56.696 -0.725 18840 3336 1 10 . 1 1 528 528 ARG CB C 528 31.165 31.165 30.304 0.861 18840 3337 1 10 . 1 1 528 528 ARG H H 528 8.866 8.866 8.659 0.207 18840 3338 1 10 . 1 1 529 529 ASP N N 529 124.001 124.001 121.662 2.339 18840 3339 1 10 . 1 1 529 529 ASP HA H 529 4.203 4.203 4.460 -0.257 18840 3340 1 10 . 1 1 529 529 ASP C C 529 178.105 178.105 177.629 0.476 18840 3341 1 10 . 1 1 529 529 ASP CA C 529 56.288 56.288 54.582 1.706 18840 3342 1 10 . 1 1 529 529 ASP CB C 529 43.574 43.574 42.160 1.415 18840 3343 1 10 . 1 1 529 529 ASP H H 529 8.198 8.198 7.477 0.721 18840 3344 1 10 . 1 1 530 530 GLN N N 530 125.372 125.372 122.235 3.137 18840 3345 1 10 . 1 1 530 530 GLN HA H 530 3.894 3.894 4.039 -0.145 18840 3346 1 10 . 1 1 530 530 GLN C C 530 177.471 177.471 176.224 1.247 18840 3347 1 10 . 1 1 530 530 GLN CA C 530 59.159 59.159 57.881 1.278 18840 3348 1 10 . 1 1 530 530 GLN CB C 530 28.731 28.731 28.050 0.680 18840 3349 1 10 . 1 1 530 530 GLN H H 530 8.746 8.746 8.648 0.098 18840 3350 1 10 . 1 1 531 531 VAL N N 531 113.137 113.137 117.602 -4.465 18840 3351 1 10 . 1 1 531 531 VAL HA H 531 4.282 4.282 3.875 0.407 18840 3352 1 10 . 1 1 531 531 VAL C C 531 176.295 176.295 177.028 -0.733 18840 3353 1 10 . 1 1 531 531 VAL CA C 531 63.324 63.324 64.964 -1.640 18840 3354 1 10 . 1 1 531 531 VAL CB C 531 31.457 31.457 32.331 -0.874 18840 3355 1 10 . 1 1 531 531 VAL H H 531 8.659 8.659 8.674 -0.015 18840 3356 1 10 . 1 1 532 532 CYS N N 532 121.034 121.034 116.479 4.555 18840 3357 1 10 . 1 1 532 532 CYS HA H 532 4.568 4.568 4.790 -0.222 18840 3358 1 10 . 1 1 532 532 CYS C C 532 172.994 172.994 174.764 -1.770 18840 3359 1 10 . 1 1 532 532 CYS CA C 532 60.437 60.437 60.343 0.094 18840 3360 1 10 . 1 1 532 532 CYS CB C 532 31.856 31.856 29.015 2.841 18840 3361 1 10 . 1 1 532 532 CYS H H 532 8.023 8.023 7.587 0.436 18840 3362 1 10 . 1 1 533 533 PHE N N 533 129.389 129.389 119.239 10.150 18840 3363 1 10 . 1 1 533 533 PHE HA H 533 4.197 4.197 4.310 -0.113 18840 3364 1 10 . 1 1 533 533 PHE C C 533 174.830 174.830 173.774 1.056 18840 3365 1 10 . 1 1 533 533 PHE CA C 533 59.754 59.754 59.187 0.567 18840 3366 1 10 . 1 1 533 533 PHE CB C 533 38.260 38.260 37.108 1.153 18840 3367 1 10 . 1 1 533 533 PHE H H 533 7.928 7.928 8.215 -0.287 18840 3368 1 10 . 1 1 534 534 LYS N N 534 113.676 113.676 115.603 -1.927 18840 3369 1 10 . 1 1 534 534 LYS HA H 534 4.466 4.466 4.544 -0.078 18840 3370 1 10 . 1 1 534 534 LYS C C 534 173.055 173.055 174.846 -1.791 18840 3371 1 10 . 1 1 534 534 LYS CA C 534 54.068 54.068 53.898 0.171 18840 3372 1 10 . 1 1 534 534 LYS CB C 534 37.800 37.800 36.221 1.579 18840 3373 1 10 . 1 1 534 534 LYS H H 534 6.430 6.430 7.439 -1.009 18840 3374 1 10 . 1 1 535 535 TYR N N 535 117.686 117.686 117.418 0.268 18840 3375 1 10 . 1 1 535 535 TYR HA H 535 5.165 5.165 5.700 -0.535 18840 3376 1 10 . 1 1 535 535 TYR C C 535 175.888 175.888 176.114 -0.226 18840 3377 1 10 . 1 1 535 535 TYR CA C 535 58.593 58.593 55.262 3.331 18840 3378 1 10 . 1 1 535 535 TYR CB C 535 40.020 40.020 39.713 0.307 18840 3379 1 10 . 1 1 535 535 TYR H H 535 7.145 7.145 7.736 -0.591 18840 3380 1 10 . 1 1 536 536 PHE N N 536 117.497 117.497 116.318 1.179 18840 3381 1 10 . 1 1 536 536 PHE HA H 536 6.399 6.399 5.082 1.317 18840 3382 1 10 . 1 1 536 536 PHE C C 536 177.127 177.127 175.430 1.697 18840 3383 1 10 . 1 1 536 536 PHE CA C 536 57.056 57.056 57.170 -0.114 18840 3384 1 10 . 1 1 536 536 PHE CB C 536 45.217 45.217 43.990 1.227 18840 3385 1 10 . 1 1 536 536 PHE H H 536 9.608 9.608 9.010 0.598 18840 3386 1 10 . 1 1 537 537 CYS N N 537 119.624 119.624 121.226 -1.602 18840 3387 1 10 . 1 1 537 537 CYS HA H 537 5.499 5.499 4.837 0.662 18840 3388 1 10 . 1 1 537 537 CYS C C 537 176.128 176.128 176.829 -0.701 18840 3389 1 10 . 1 1 537 537 CYS CA C 537 58.097 58.097 59.978 -1.881 18840 3390 1 10 . 1 1 537 537 CYS CB C 537 32.306 32.306 29.186 3.120 18840 3391 1 10 . 1 1 537 537 CYS H H 537 9.777 9.777 9.155 0.622 18840 3392 1 10 . 1 1 538 538 ARG N N 538 120.573 120.573 122.579 -2.006 18840 3393 1 10 . 1 1 538 538 ARG HA H 538 3.791 3.791 4.166 -0.375 18840 3394 1 10 . 1 1 538 538 ARG C C 538 178.403 178.403 178.341 0.062 18840 3395 1 10 . 1 1 538 538 ARG CA C 538 60.937 60.937 60.608 0.328 18840 3396 1 10 . 1 1 538 538 ARG CB C 538 30.392 30.392 30.192 0.200 18840 3397 1 10 . 1 1 538 538 ARG H H 538 9.375 9.375 9.073 0.302 18840 3398 1 10 . 1 1 539 539 SER N N 539 114.562 114.562 113.335 1.227 18840 3399 1 10 . 1 1 539 539 SER HA H 539 4.491 4.491 4.388 0.103 18840 3400 1 10 . 1 1 539 539 SER C C 539 178.610 178.610 176.316 2.294 18840 3401 1 10 . 1 1 539 539 SER CA C 539 62.159 62.159 61.224 0.935 18840 3402 1 10 . 1 1 539 539 SER CB C 539 62.934 62.934 62.981 -0.047 18840 3403 1 10 . 1 1 539 539 SER H H 539 8.549 8.549 8.657 -0.108 18840 3404 1 10 . 1 1 540 540 CYS N N 540 126.990 126.990 122.065 4.925 18840 3405 1 10 . 1 1 540 540 CYS HA H 540 4.454 4.454 4.562 -0.108 18840 3406 1 10 . 1 1 540 540 CYS C C 540 178.546 178.546 177.063 1.483 18840 3407 1 10 . 1 1 540 540 CYS CA C 540 65.024 65.024 62.033 2.991 18840 3408 1 10 . 1 1 540 540 CYS CB C 540 30.747 30.747 26.365 4.382 18840 3409 1 10 . 1 1 540 540 CYS H H 540 9.534 9.534 8.323 1.211 18840 3410 1 10 . 1 1 541 541 TRP N N 541 121.037 121.037 122.128 -1.091 18840 3411 1 10 . 1 1 541 541 TRP HA H 541 3.319 3.319 4.171 -0.852 18840 3412 1 10 . 1 1 541 541 TRP C C 541 179.671 179.671 177.787 1.884 18840 3413 1 10 . 1 1 541 541 TRP CA C 541 62.783 62.783 61.141 1.642 18840 3414 1 10 . 1 1 541 541 TRP CB C 541 27.747 27.747 28.958 -1.211 18840 3415 1 10 . 1 1 541 541 TRP H H 541 9.632 9.632 9.118 0.514 18840 3416 1 10 . 1 1 542 542 HIS N N 542 119.251 119.251 120.184 -0.933 18840 3417 1 10 . 1 1 542 542 HIS HA H 542 4.330 4.330 4.315 0.015 18840 3418 1 10 . 1 1 542 542 HIS C C 542 177.291 177.291 177.077 0.214 18840 3419 1 10 . 1 1 542 542 HIS CA C 542 59.909 59.909 60.813 -0.904 18840 3420 1 10 . 1 1 542 542 HIS CB C 542 30.594 30.594 30.017 0.577 18840 3421 1 10 . 1 1 542 542 HIS H H 542 8.073 8.073 8.044 0.029 18840 3422 1 10 . 1 1 543 543 TRP N N 543 121.212 121.212 119.563 1.649 18840 3423 1 10 . 1 1 543 543 TRP HA H 543 4.231 4.231 4.215 0.016 18840 3424 1 10 . 1 1 543 543 TRP C C 543 178.256 178.256 178.359 -0.103 18840 3425 1 10 . 1 1 543 543 TRP CA C 543 60.959 60.959 61.200 -0.241 18840 3426 1 10 . 1 1 543 543 TRP CB C 543 28.593 28.593 29.806 -1.213 18840 3427 1 10 . 1 1 543 543 TRP H H 543 8.200 8.200 8.142 0.058 18840 3428 1 10 . 1 1 544 544 ARG N N 544 118.044 118.044 119.526 -1.482 18840 3429 1 10 . 1 1 544 544 ARG HA H 544 3.199 3.199 3.827 -0.628 18840 3430 1 10 . 1 1 544 544 ARG C C 544 176.093 176.093 178.123 -2.030 18840 3431 1 10 . 1 1 544 544 ARG CA C 544 57.149 57.149 58.533 -1.384 18840 3432 1 10 . 1 1 544 544 ARG CB C 544 29.942 29.942 29.615 0.327 18840 3433 1 10 . 1 1 544 544 ARG H H 544 8.194 8.194 8.305 -0.111 18840 3434 1 10 . 1 1 545 545 HIS N N 545 109.049 109.049 114.970 -5.921 18840 3435 1 10 . 1 1 545 545 HIS HA H 545 3.781 3.781 4.242 -0.461 18840 3436 1 10 . 1 1 545 545 HIS C C 545 173.247 173.247 175.104 -1.857 18840 3437 1 10 . 1 1 545 545 HIS CA C 545 58.848 58.848 56.352 2.496 18840 3438 1 10 . 1 1 545 545 HIS CB C 545 25.314 25.314 29.116 -3.802 18840 3439 1 10 . 1 1 545 545 HIS H H 545 7.410 7.410 7.740 -0.330 18840 3440 1 10 . 1 1 546 546 SER N N 546 112.353 112.353 114.644 -2.291 18840 3441 1 10 . 1 1 546 546 SER HA H 546 4.336 4.336 4.026 0.310 18840 3442 1 10 . 1 1 546 546 SER C C 546 174.714 174.714 174.099 0.615 18840 3443 1 10 . 1 1 546 546 SER CA C 546 59.042 59.042 59.106 -0.064 18840 3444 1 10 . 1 1 546 546 SER CB C 546 63.464 63.464 62.975 0.489 18840 3445 1 10 . 1 1 546 546 SER H H 546 6.948 6.948 7.107 -0.159 18840 3446 1 10 . 1 1 547 547 MET N N 547 121.366 121.366 120.441 0.925 18840 3447 1 10 . 1 1 547 547 MET HA H 547 4.188 4.188 4.092 0.096 18840 3448 1 10 . 1 1 547 547 MET C C 547 175.421 175.421 176.105 -0.684 18840 3449 1 10 . 1 1 547 547 MET CA C 547 55.504 55.504 54.306 1.198 18840 3450 1 10 . 1 1 547 547 MET CB C 547 33.318 33.318 31.707 1.611 18840 3451 1 10 . 1 1 547 547 MET H H 547 6.821 6.821 7.143 -0.322 18840 3452 1 10 . 1 1 548 548 GLU N N 548 122.898 122.898 123.968 -1.070 18840 3453 1 10 . 1 1 548 548 GLU HA H 548 3.807 3.807 4.057 -0.250 18840 3454 1 10 . 1 1 548 548 GLU C C 548 176.918 176.918 177.291 -0.373 18840 3455 1 10 . 1 1 548 548 GLU CA C 548 58.746 58.746 58.180 0.566 18840 3456 1 10 . 1 1 548 548 GLU CB C 548 29.505 29.505 29.813 -0.308 18840 3457 1 10 . 1 1 548 548 GLU H H 548 8.515 8.515 8.511 0.004 18840 3458 1 10 . 1 1 549 549 GLY N N 549 112.898 112.898 110.105 2.793 18840 3459 1 10 . 1 1 549 549 GLY C C 549 174.645 174.645 174.845 -0.200 18840 3460 1 10 . 1 1 549 549 GLY CA C 549 45.411 45.411 45.129 0.282 18840 3461 1 10 . 1 1 549 549 GLY H H 549 8.950 8.950 8.802 0.148 18840 3462 1 10 . 1 1 550 550 LEU N N 550 118.164 118.164 119.111 -0.947 18840 3463 1 10 . 1 1 550 550 LEU HA H 550 3.928 3.928 4.431 -0.503 18840 3464 1 10 . 1 1 550 550 LEU C C 550 177.030 177.030 177.349 -0.319 18840 3465 1 10 . 1 1 550 550 LEU CA C 550 54.291 54.291 53.867 0.424 18840 3466 1 10 . 1 1 550 550 LEU CB C 550 42.968 42.968 41.553 1.415 18840 3467 1 10 . 1 1 550 550 LEU H H 550 7.702 7.702 7.332 0.370 18840 3468 1 10 . 1 1 551 551 ARG N N 551 115.914 115.914 119.548 -3.634 18840 3469 1 10 . 1 1 551 551 ARG HA H 551 4.405 4.405 4.098 0.307 18840 3470 1 10 . 1 1 551 551 ARG C C 551 177.206 177.206 177.127 0.079 18840 3471 1 10 . 1 1 551 551 ARG CA C 551 58.406 58.406 57.641 0.765 18840 3472 1 10 . 1 1 551 551 ARG CB C 551 30.360 30.360 29.007 1.353 18840 3473 1 10 . 1 1 551 551 ARG H H 551 7.299 7.299 8.325 -1.026 18840 3474 1 10 . 1 1 552 552 HIS N N 552 113.766 113.766 113.294 0.472 18840 3475 1 10 . 1 1 552 552 HIS HA H 552 4.692 4.692 4.639 0.053 18840 3476 1 10 . 1 1 552 552 HIS C C 552 175.959 175.959 174.928 1.031 18840 3477 1 10 . 1 1 552 552 HIS CA C 552 56.223 56.223 55.702 0.521 18840 3478 1 10 . 1 1 552 552 HIS CB C 552 30.228 30.228 29.542 0.686 18840 3479 1 10 . 1 1 552 552 HIS H H 552 8.480 8.480 8.106 0.374 18840 3480 1 10 . 1 1 553 553 HIS N N 553 122.502 122.502 121.597 0.905 18840 3481 1 10 . 1 1 553 553 HIS HA H 553 4.459 4.459 4.409 0.050 18840 3482 1 10 . 1 1 553 553 HIS C C 553 174.820 174.820 174.386 0.434 18840 3483 1 10 . 1 1 553 553 HIS CA C 553 55.553 55.553 56.352 -0.799 18840 3484 1 10 . 1 1 553 553 HIS CB C 553 31.320 31.320 30.310 1.010 18840 3485 1 10 . 1 1 553 553 HIS H H 553 6.954 6.954 7.349 -0.395 18840 3486 1 10 . 1 1 554 554 SER N N 554 117.586 117.586 117.443 0.143 18840 3487 1 10 . 1 1 554 554 SER HA H 554 5.128 5.128 4.846 0.282 18840 3488 1 10 . 1 1 554 554 SER CA C 554 55.199 55.199 55.540 -0.341 18840 3489 1 10 . 1 1 554 554 SER CB C 554 64.833 64.833 66.102 -1.269 18840 3490 1 10 . 1 1 554 554 SER H H 554 8.668 8.668 8.302 0.366 18840 3491 1 10 . 1 1 555 555 PRO HA H 555 4.296 4.296 4.804 -0.508 18840 3492 1 10 . 1 1 555 555 PRO C C 555 176.447 176.447 176.327 0.120 18840 3493 1 10 . 1 1 555 555 PRO CA C 555 63.029 63.029 62.282 0.747 18840 3494 1 10 . 1 1 555 555 PRO CB C 555 31.779 31.779 32.176 -0.397 18840 3495 1 10 . 1 1 556 556 LEU N N 556 123.469 123.469 125.348 -1.879 18840 3496 1 10 . 1 1 556 556 LEU HA H 556 4.788 4.788 4.471 0.317 18840 3497 1 10 . 1 1 556 556 LEU C C 556 176.176 176.176 177.407 -1.231 18840 3498 1 10 . 1 1 556 556 LEU CA C 556 54.247 54.247 54.713 -0.466 18840 3499 1 10 . 1 1 556 556 LEU CB C 556 44.237 44.237 43.115 1.121 18840 3500 1 10 . 1 1 556 556 LEU H H 556 8.802 8.802 8.141 0.661 18840 3501 1 10 . 1 1 557 557 MET N N 557 122.362 122.362 122.164 0.198 18840 3502 1 10 . 1 1 557 557 MET HA H 557 4.983 4.983 4.611 0.372 18840 3503 1 10 . 1 1 557 557 MET C C 557 175.983 175.983 175.631 0.352 18840 3504 1 10 . 1 1 557 557 MET CA C 557 54.641 54.641 55.452 -0.811 18840 3505 1 10 . 1 1 557 557 MET CB C 557 34.181 34.181 32.299 1.882 18840 3506 1 10 . 1 1 557 557 MET H H 557 8.624 8.624 8.504 0.120 18840 3507 1 10 . 1 1 558 558 ARG N N 558 123.450 123.450 125.391 -1.941 18840 3508 1 10 . 1 1 558 558 ARG HA H 558 4.302 4.302 4.661 -0.359 18840 3509 1 10 . 1 1 558 558 ARG CA C 558 56.545 56.545 55.839 0.706 18840 3510 1 10 . 1 1 558 558 ARG CB C 558 31.139 31.139 32.326 -1.187 18840 3511 1 10 . 1 1 558 558 ARG H H 558 8.901 8.901 8.638 0.263 18840 3512 1 10 . 1 1 559 559 ASN HA H 559 4.642 4.642 4.768 -0.126 18840 3513 1 10 . 1 1 559 559 ASN CA C 559 53.286 53.286 52.815 0.471 18840 3514 1 10 . 1 1 559 559 ASN CB C 559 38.877 38.877 40.540 -1.663 18840 3515 1 10 . 1 1 560 560 GLN N N 560 121.173 121.173 122.193 -1.020 18840 3516 1 10 . 1 1 560 560 GLN HA H 560 4.308 4.308 4.515 -0.207 18840 3517 1 10 . 1 1 560 560 GLN C C 560 175.883 175.883 175.900 -0.017 18840 3518 1 10 . 1 1 560 560 GLN CA C 560 56.023 56.023 55.649 0.374 18840 3519 1 10 . 1 1 560 560 GLN CB C 560 29.702 29.702 29.586 0.116 18840 3520 1 10 . 1 1 560 560 GLN H H 560 8.284 8.284 8.583 -0.299 18840 3521 1 10 . 1 1 561 561 LYS N N 561 122.223 122.223 124.786 -2.563 18840 3522 1 10 . 1 1 561 561 LYS HA H 561 4.267 4.267 4.311 -0.044 18840 3523 1 10 . 1 1 561 561 LYS C C 561 176.349 176.349 177.207 -0.858 18840 3524 1 10 . 1 1 561 561 LYS CA C 561 56.659 56.659 56.403 0.256 18840 3525 1 10 . 1 1 561 561 LYS CB C 561 32.966 32.966 32.751 0.215 18840 3526 1 10 . 1 1 561 561 LYS H H 561 8.350 8.350 8.654 -0.304 18840 3527 1 10 . 1 1 562 562 ASN N N 562 119.683 119.683 118.697 0.986 18840 3528 1 10 . 1 1 562 562 ASN HA H 562 4.681 4.681 4.701 -0.020 18840 3529 1 10 . 1 1 562 562 ASN C C 562 175.298 175.298 176.080 -0.782 18840 3530 1 10 . 1 1 562 562 ASN CA C 562 53.375 53.375 53.059 0.316 18840 3531 1 10 . 1 1 562 562 ASN CB C 562 38.920 38.920 39.371 -0.452 18840 3532 1 10 . 1 1 562 562 ASN H H 562 8.440 8.440 8.187 0.253 18840 3533 1 10 . 1 1 563 563 ARG N N 563 121.405 121.405 118.200 3.205 18840 3534 1 10 . 1 1 563 563 ARG HA H 563 4.315 4.315 4.208 0.107 18840 3535 1 10 . 1 1 563 563 ARG C C 563 176.088 176.088 175.520 0.568 18840 3536 1 10 . 1 1 563 563 ARG CA C 563 56.489 56.489 57.484 -0.995 18840 3537 1 10 . 1 1 563 563 ARG CB C 563 30.775 30.775 30.105 0.670 18840 3538 1 10 . 1 1 563 563 ARG H H 563 8.333 8.333 8.585 -0.252 18840 3539 1 10 . 1 1 564 564 ASP N N 564 121.203 121.203 114.731 6.472 18840 3540 1 10 . 1 1 564 564 ASP HA H 564 4.667 4.667 4.654 0.013 18840 3541 1 10 . 1 1 564 564 ASP C C 564 176.148 176.148 174.323 1.825 18840 3542 1 10 . 1 1 564 564 ASP CA C 564 54.597 54.597 52.749 1.848 18840 3543 1 10 . 1 1 564 564 ASP CB C 564 41.249 41.249 43.318 -2.069 18840 3544 1 10 . 1 1 564 564 ASP H H 564 8.387 8.387 7.650 0.737 18840 3545 1 10 . 1 1 565 565 SER N N 565 116.058 116.058 114.904 1.154 18840 3546 1 10 . 1 1 565 565 SER HA H 565 4.528 4.528 4.703 -0.175 18840 3547 1 10 . 1 1 565 565 SER C C 565 173.755 173.755 174.209 -0.454 18840 3548 1 10 . 1 1 565 565 SER CA C 565 58.266 58.266 57.780 0.486 18840 3549 1 10 . 1 1 565 565 SER CB C 565 64.077 64.077 64.850 -0.773 18840 3550 1 10 . 1 1 565 565 SER H H 565 8.186 8.186 8.437 -0.251 18840 3551 1 11 . 1 1 503 503 PRO HA H 503 4.533 4.533 4.701 -0.168 18840 3552 1 11 . 1 1 503 503 PRO C C 503 176.777 176.777 176.485 0.292 18840 3553 1 11 . 1 1 503 503 PRO CA C 503 62.962 62.962 62.393 0.569 18840 3554 1 11 . 1 1 503 503 PRO CB C 503 32.403 32.403 32.699 -0.296 18840 3555 1 11 . 1 1 504 504 VAL N N 504 120.734 120.734 118.007 2.727 18840 3556 1 11 . 1 1 504 504 VAL HA H 504 4.102 4.102 4.280 -0.178 18840 3557 1 11 . 1 1 504 504 VAL C C 504 175.887 175.887 174.818 1.069 18840 3558 1 11 . 1 1 504 504 VAL CA C 504 62.483 62.483 62.677 -0.194 18840 3559 1 11 . 1 1 504 504 VAL CB C 504 32.864 32.864 32.392 0.472 18840 3560 1 11 . 1 1 504 504 VAL H H 504 8.290 8.290 8.066 0.224 18840 3561 1 11 . 1 1 505 505 GLN N N 505 125.069 125.069 123.789 1.280 18840 3562 1 11 . 1 1 505 505 GLN HA H 505 4.430 4.430 4.743 -0.313 18840 3563 1 11 . 1 1 505 505 GLN C C 505 175.207 175.207 175.498 -0.291 18840 3564 1 11 . 1 1 505 505 GLN CA C 505 55.476 55.476 54.999 0.477 18840 3565 1 11 . 1 1 505 505 GLN CB C 505 29.918 29.918 31.859 -1.941 18840 3566 1 11 . 1 1 505 505 GLN H H 505 8.450 8.450 8.854 -0.404 18840 3567 1 11 . 1 1 506 506 ILE N N 506 123.121 123.121 117.031 6.090 18840 3568 1 11 . 1 1 506 506 ILE HA H 506 4.303 4.303 4.344 -0.041 18840 3569 1 11 . 1 1 506 506 ILE C C 506 175.607 175.607 175.462 0.145 18840 3570 1 11 . 1 1 506 506 ILE CA C 506 60.346 60.346 62.700 -2.354 18840 3571 1 11 . 1 1 506 506 ILE CB C 506 39.046 39.046 38.543 0.503 18840 3572 1 11 . 1 1 506 506 ILE H H 506 8.259 8.259 8.526 -0.267 18840 3573 1 11 . 1 1 507 507 ASP N N 507 126.258 126.258 120.966 5.292 18840 3574 1 11 . 1 1 507 507 ASP HA H 507 4.909 4.909 4.944 -0.035 18840 3575 1 11 . 1 1 507 507 ASP CA C 507 51.929 51.929 52.366 -0.437 18840 3576 1 11 . 1 1 507 507 ASP CB C 507 41.712 41.712 42.938 -1.226 18840 3577 1 11 . 1 1 507 507 ASP H H 507 8.419 8.419 8.098 0.321 18840 3578 1 11 . 1 1 508 508 PRO HA H 508 4.304 4.304 4.558 -0.254 18840 3579 1 11 . 1 1 508 508 PRO C C 508 176.539 176.539 176.475 0.064 18840 3580 1 11 . 1 1 508 508 PRO CA C 508 63.271 63.271 62.611 0.660 18840 3581 1 11 . 1 1 508 508 PRO CB C 508 32.117 32.117 33.194 -1.077 18840 3582 1 11 . 1 1 509 509 TYR N N 509 119.278 119.278 118.376 0.902 18840 3583 1 11 . 1 1 509 509 TYR HA H 509 4.486 4.486 4.495 -0.009 18840 3584 1 11 . 1 1 509 509 TYR C C 509 175.814 175.814 175.551 0.263 18840 3585 1 11 . 1 1 509 509 TYR CA C 509 57.945 57.945 57.947 -0.002 18840 3586 1 11 . 1 1 509 509 TYR CB C 509 37.723 37.723 38.142 -0.419 18840 3587 1 11 . 1 1 509 509 TYR H H 509 8.218 8.218 8.236 -0.018 18840 3588 1 11 . 1 1 510 510 LEU N N 510 122.827 122.827 122.161 0.666 18840 3589 1 11 . 1 1 510 510 LEU HA H 510 4.254 4.254 4.162 0.092 18840 3590 1 11 . 1 1 510 510 LEU C C 510 176.689 176.689 176.707 -0.018 18840 3591 1 11 . 1 1 510 510 LEU CA C 510 54.934 54.934 54.793 0.141 18840 3592 1 11 . 1 1 510 510 LEU CB C 510 42.647 42.647 42.221 0.426 18840 3593 1 11 . 1 1 510 510 LEU H H 510 7.655 7.655 7.103 0.552 18840 3594 1 11 . 1 1 511 511 GLU N N 511 120.110 120.110 120.855 -0.745 18840 3595 1 11 . 1 1 511 511 GLU HA H 511 4.234 4.234 4.574 -0.340 18840 3596 1 11 . 1 1 511 511 GLU CA C 511 55.912 55.912 55.082 0.830 18840 3597 1 11 . 1 1 511 511 GLU CB C 511 31.398 31.398 33.217 -1.819 18840 3598 1 11 . 1 1 511 511 GLU H H 511 8.223 8.223 8.314 -0.091 18840 3599 1 11 . 1 1 512 512 ASP N N 512 120.430 120.430 120.626 -0.196 18840 3600 1 11 . 1 1 512 512 ASP HA H 512 4.439 4.439 4.422 0.017 18840 3601 1 11 . 1 1 512 512 ASP C C 512 175.742 175.742 175.295 0.447 18840 3602 1 11 . 1 1 512 512 ASP CA C 512 54.405 54.405 53.662 0.743 18840 3603 1 11 . 1 1 512 512 ASP CB C 512 40.977 40.977 38.953 2.025 18840 3604 1 11 . 1 1 512 512 ASP H H 512 8.258 8.258 8.584 -0.326 18840 3605 1 11 . 1 1 513 513 SER N N 513 116.712 116.712 116.377 0.335 18840 3606 1 11 . 1 1 513 513 SER HA H 513 4.282 4.282 4.443 -0.161 18840 3607 1 11 . 1 1 513 513 SER C C 513 174.628 174.628 174.335 0.293 18840 3608 1 11 . 1 1 513 513 SER CA C 513 57.783 57.783 59.152 -1.369 18840 3609 1 11 . 1 1 513 513 SER CB C 513 64.481 64.481 64.383 0.098 18840 3610 1 11 . 1 1 513 513 SER H H 513 8.004 8.004 8.160 -0.156 18840 3611 1 11 . 1 1 514 514 LEU N N 514 124.291 124.291 126.462 -2.171 18840 3612 1 11 . 1 1 514 514 LEU HA H 514 4.360 4.360 4.265 0.095 18840 3613 1 11 . 1 1 514 514 LEU C C 514 176.422 176.422 175.795 0.627 18840 3614 1 11 . 1 1 514 514 LEU CA C 514 54.896 54.896 54.990 -0.094 18840 3615 1 11 . 1 1 514 514 LEU CB C 514 43.711 43.711 43.343 0.367 18840 3616 1 11 . 1 1 514 514 LEU H H 514 8.248 8.248 8.162 0.086 18840 3617 1 11 . 1 1 515 515 CYS N N 515 121.802 121.802 125.729 -3.927 18840 3618 1 11 . 1 1 515 515 CYS HA H 515 3.818 3.818 4.539 -0.721 18840 3619 1 11 . 1 1 515 515 CYS C C 515 177.418 177.418 176.335 1.083 18840 3620 1 11 . 1 1 515 515 CYS CA C 515 60.542 60.542 58.906 1.636 18840 3621 1 11 . 1 1 515 515 CYS CB C 515 31.859 31.859 27.284 4.575 18840 3622 1 11 . 1 1 515 515 CYS H H 515 8.418 8.418 8.347 0.071 18840 3623 1 11 . 1 1 516 516 HIS N N 516 129.671 129.671 129.175 0.496 18840 3624 1 11 . 1 1 516 516 HIS HA H 516 4.497 4.497 4.366 0.131 18840 3625 1 11 . 1 1 516 516 HIS C C 516 175.845 175.845 175.702 0.143 18840 3626 1 11 . 1 1 516 516 HIS CA C 516 58.672 58.672 59.114 -0.442 18840 3627 1 11 . 1 1 516 516 HIS CB C 516 31.910 31.910 30.115 1.795 18840 3628 1 11 . 1 1 516 516 HIS H H 516 9.149 9.149 9.084 0.065 18840 3629 1 11 . 1 1 517 517 ILE N N 517 121.766 121.766 119.783 1.983 18840 3630 1 11 . 1 1 517 517 ILE HA H 517 4.170 4.170 3.815 0.355 18840 3631 1 11 . 1 1 517 517 ILE C C 517 177.448 177.448 177.365 0.083 18840 3632 1 11 . 1 1 517 517 ILE CA C 517 61.900 61.900 62.868 -0.968 18840 3633 1 11 . 1 1 517 517 ILE CB C 517 35.256 35.256 37.364 -2.108 18840 3634 1 11 . 1 1 517 517 ILE H H 517 9.347 9.347 8.558 0.789 18840 3635 1 11 . 1 1 518 518 CYS N N 518 118.774 118.774 113.927 4.847 18840 3636 1 11 . 1 1 518 518 CYS HA H 518 4.772 4.772 4.559 0.213 18840 3637 1 11 . 1 1 518 518 CYS C C 518 176.883 176.883 175.473 1.410 18840 3638 1 11 . 1 1 518 518 CYS CA C 518 59.309 59.309 57.903 1.406 18840 3639 1 11 . 1 1 518 518 CYS CB C 518 31.994 31.994 29.348 2.646 18840 3640 1 11 . 1 1 518 518 CYS H H 518 8.564 8.564 8.167 0.397 18840 3641 1 11 . 1 1 519 519 SER N N 519 116.362 116.362 115.790 0.572 18840 3642 1 11 . 1 1 519 519 SER HA H 519 4.403 4.403 4.144 0.259 18840 3643 1 11 . 1 1 519 519 SER C C 519 174.258 174.258 174.285 -0.027 18840 3644 1 11 . 1 1 519 519 SER CA C 519 60.236 60.236 59.295 0.940 18840 3645 1 11 . 1 1 519 519 SER CB C 519 62.727 62.727 61.479 1.248 18840 3646 1 11 . 1 1 519 519 SER H H 519 7.619 7.619 8.241 -0.622 18840 3647 1 11 . 1 1 520 520 SER N N 520 113.506 113.506 115.746 -2.240 18840 3648 1 11 . 1 1 520 520 SER HA H 520 4.832 4.832 4.352 0.480 18840 3649 1 11 . 1 1 520 520 SER C C 520 172.953 172.953 173.767 -0.814 18840 3650 1 11 . 1 1 520 520 SER CA C 520 58.849 58.849 59.772 -0.923 18840 3651 1 11 . 1 1 520 520 SER CB C 520 65.701 65.701 63.949 1.752 18840 3652 1 11 . 1 1 520 520 SER H H 520 8.328 8.328 7.869 0.459 18840 3653 1 11 . 1 1 521 521 GLN N N 521 118.652 118.652 117.089 1.563 18840 3654 1 11 . 1 1 521 521 GLN HA H 521 4.932 4.932 4.706 0.226 18840 3655 1 11 . 1 1 521 521 GLN CA C 521 52.845 52.845 53.552 -0.707 18840 3656 1 11 . 1 1 521 521 GLN CB C 521 30.606 30.606 28.538 2.068 18840 3657 1 11 . 1 1 521 521 GLN H H 521 7.416 7.416 7.720 -0.304 18840 3658 1 11 . 1 1 522 522 PRO HA H 522 4.415 4.415 4.516 -0.101 18840 3659 1 11 . 1 1 522 522 PRO C C 522 175.086 175.086 176.598 -1.512 18840 3660 1 11 . 1 1 522 522 PRO CA C 522 63.782 63.782 63.345 0.437 18840 3661 1 11 . 1 1 522 522 PRO CB C 522 32.536 32.536 31.774 0.762 18840 3662 1 11 . 1 1 523 523 GLY N N 523 110.217 110.217 110.217 0.000 18840 3663 1 11 . 1 1 523 523 GLY CA C 523 46.095 46.095 42.672 3.423 18840 3664 1 11 . 1 1 523 523 GLY H H 523 8.909 8.909 8.243 0.666 18840 3665 1 11 . 1 1 524 524 PRO HA H 524 4.457 4.457 4.276 0.181 18840 3666 1 11 . 1 1 524 524 PRO C C 524 176.040 176.040 176.274 -0.234 18840 3667 1 11 . 1 1 524 524 PRO CA C 524 63.115 63.115 63.782 -0.667 18840 3668 1 11 . 1 1 524 524 PRO CB C 524 32.830 32.830 31.905 0.925 18840 3669 1 11 . 1 1 525 525 PHE N N 525 116.223 116.223 118.613 -2.390 18840 3670 1 11 . 1 1 525 525 PHE HA H 525 5.039 5.039 4.749 0.290 18840 3671 1 11 . 1 1 525 525 PHE C C 525 174.437 174.437 174.663 -0.226 18840 3672 1 11 . 1 1 525 525 PHE CA C 525 56.080 56.080 56.505 -0.425 18840 3673 1 11 . 1 1 525 525 PHE CB C 525 39.780 39.780 40.182 -0.402 18840 3674 1 11 . 1 1 525 525 PHE H H 525 8.148 8.148 7.350 0.798 18840 3675 1 11 . 1 1 526 526 PHE N N 526 125.861 125.861 124.496 1.365 18840 3676 1 11 . 1 1 526 526 PHE HA H 526 5.102 5.102 5.229 -0.127 18840 3677 1 11 . 1 1 526 526 PHE C C 526 175.221 175.221 174.128 1.093 18840 3678 1 11 . 1 1 526 526 PHE CA C 526 56.865 56.865 56.600 0.265 18840 3679 1 11 . 1 1 526 526 PHE CB C 526 41.661 41.661 42.281 -0.620 18840 3680 1 11 . 1 1 526 526 PHE H H 526 9.522 9.522 8.926 0.596 18840 3681 1 11 . 1 1 527 527 CYS N N 527 128.663 128.663 128.643 0.020 18840 3682 1 11 . 1 1 527 527 CYS HA H 527 4.931 4.931 5.259 -0.328 18840 3683 1 11 . 1 1 527 527 CYS C C 527 174.052 174.052 174.620 -0.568 18840 3684 1 11 . 1 1 527 527 CYS CA C 527 58.267 58.267 56.705 1.562 18840 3685 1 11 . 1 1 527 527 CYS CB C 527 31.075 31.075 29.261 1.814 18840 3686 1 11 . 1 1 527 527 CYS H H 527 7.723 7.723 8.558 -0.835 18840 3687 1 11 . 1 1 528 528 ARG N N 528 125.354 125.354 126.466 -1.112 18840 3688 1 11 . 1 1 528 528 ARG HA H 528 4.148 4.148 4.825 -0.677 18840 3689 1 11 . 1 1 528 528 ARG C C 528 175.406 175.406 176.223 -0.817 18840 3690 1 11 . 1 1 528 528 ARG CA C 528 55.971 55.971 54.642 1.329 18840 3691 1 11 . 1 1 528 528 ARG CB C 528 31.165 31.165 29.703 1.462 18840 3692 1 11 . 1 1 528 528 ARG H H 528 8.866 8.866 8.844 0.022 18840 3693 1 11 . 1 1 529 529 ASP N N 529 124.001 124.001 121.508 2.493 18840 3694 1 11 . 1 1 529 529 ASP HA H 529 4.203 4.203 4.499 -0.296 18840 3695 1 11 . 1 1 529 529 ASP C C 529 178.105 178.105 176.949 1.156 18840 3696 1 11 . 1 1 529 529 ASP CA C 529 56.288 56.288 54.299 1.989 18840 3697 1 11 . 1 1 529 529 ASP CB C 529 43.574 43.574 42.249 1.325 18840 3698 1 11 . 1 1 529 529 ASP H H 529 8.198 8.198 7.468 0.730 18840 3699 1 11 . 1 1 530 530 GLN N N 530 125.372 125.372 122.560 2.812 18840 3700 1 11 . 1 1 530 530 GLN HA H 530 3.894 3.894 4.067 -0.173 18840 3701 1 11 . 1 1 530 530 GLN C C 530 177.471 177.471 177.170 0.301 18840 3702 1 11 . 1 1 530 530 GLN CA C 530 59.159 59.159 58.007 1.152 18840 3703 1 11 . 1 1 530 530 GLN CB C 530 28.731 28.731 28.933 -0.202 18840 3704 1 11 . 1 1 530 530 GLN H H 530 8.746 8.746 8.637 0.109 18840 3705 1 11 . 1 1 531 531 VAL N N 531 113.137 113.137 119.645 -6.508 18840 3706 1 11 . 1 1 531 531 VAL HA H 531 4.282 4.282 3.754 0.528 18840 3707 1 11 . 1 1 531 531 VAL C C 531 176.295 176.295 177.325 -1.030 18840 3708 1 11 . 1 1 531 531 VAL CA C 531 63.324 63.324 65.165 -1.841 18840 3709 1 11 . 1 1 531 531 VAL CB C 531 31.457 31.457 32.355 -0.898 18840 3710 1 11 . 1 1 531 531 VAL H H 531 8.659 8.659 8.934 -0.275 18840 3711 1 11 . 1 1 532 532 CYS N N 532 121.034 121.034 117.349 3.685 18840 3712 1 11 . 1 1 532 532 CYS HA H 532 4.568 4.568 4.712 -0.144 18840 3713 1 11 . 1 1 532 532 CYS C C 532 172.994 172.994 175.468 -2.474 18840 3714 1 11 . 1 1 532 532 CYS CA C 532 60.437 60.437 59.816 0.621 18840 3715 1 11 . 1 1 532 532 CYS CB C 532 31.856 31.856 28.826 3.030 18840 3716 1 11 . 1 1 532 532 CYS H H 532 8.023 8.023 7.482 0.541 18840 3717 1 11 . 1 1 533 533 PHE N N 533 129.389 129.389 120.029 9.360 18840 3718 1 11 . 1 1 533 533 PHE HA H 533 4.197 4.197 4.047 0.150 18840 3719 1 11 . 1 1 533 533 PHE C C 533 174.830 174.830 174.058 0.772 18840 3720 1 11 . 1 1 533 533 PHE CA C 533 59.754 59.754 58.800 0.954 18840 3721 1 11 . 1 1 533 533 PHE CB C 533 38.260 38.260 37.270 0.990 18840 3722 1 11 . 1 1 533 533 PHE H H 533 7.928 7.928 8.281 -0.353 18840 3723 1 11 . 1 1 534 534 LYS N N 534 113.676 113.676 117.504 -3.828 18840 3724 1 11 . 1 1 534 534 LYS HA H 534 4.466 4.466 4.110 0.356 18840 3725 1 11 . 1 1 534 534 LYS C C 534 173.055 173.055 173.629 -0.574 18840 3726 1 11 . 1 1 534 534 LYS CA C 534 54.068 54.068 53.750 0.318 18840 3727 1 11 . 1 1 534 534 LYS CB C 534 37.800 37.800 36.023 1.777 18840 3728 1 11 . 1 1 534 534 LYS H H 534 6.430 6.430 7.161 -0.731 18840 3729 1 11 . 1 1 535 535 TYR N N 535 117.686 117.686 117.206 0.480 18840 3730 1 11 . 1 1 535 535 TYR HA H 535 5.165 5.165 5.574 -0.409 18840 3731 1 11 . 1 1 535 535 TYR C C 535 175.888 175.888 175.659 0.229 18840 3732 1 11 . 1 1 535 535 TYR CA C 535 58.593 58.593 57.512 1.081 18840 3733 1 11 . 1 1 535 535 TYR CB C 535 40.020 40.020 40.285 -0.265 18840 3734 1 11 . 1 1 535 535 TYR H H 535 7.145 7.145 8.318 -1.173 18840 3735 1 11 . 1 1 536 536 PHE N N 536 117.497 117.497 116.479 1.018 18840 3736 1 11 . 1 1 536 536 PHE HA H 536 6.399 6.399 5.128 1.271 18840 3737 1 11 . 1 1 536 536 PHE C C 536 177.127 177.127 175.682 1.445 18840 3738 1 11 . 1 1 536 536 PHE CA C 536 57.056 57.056 56.953 0.103 18840 3739 1 11 . 1 1 536 536 PHE CB C 536 45.217 45.217 43.773 1.444 18840 3740 1 11 . 1 1 536 536 PHE H H 536 9.608 9.608 8.914 0.694 18840 3741 1 11 . 1 1 537 537 CYS N N 537 119.624 119.624 121.111 -1.487 18840 3742 1 11 . 1 1 537 537 CYS HA H 537 5.499 5.499 4.708 0.791 18840 3743 1 11 . 1 1 537 537 CYS C C 537 176.128 176.128 176.992 -0.864 18840 3744 1 11 . 1 1 537 537 CYS CA C 537 58.097 58.097 58.883 -0.785 18840 3745 1 11 . 1 1 537 537 CYS CB C 537 32.306 32.306 28.437 3.869 18840 3746 1 11 . 1 1 537 537 CYS H H 537 9.777 9.777 9.279 0.498 18840 3747 1 11 . 1 1 538 538 ARG N N 538 120.573 120.573 121.794 -1.221 18840 3748 1 11 . 1 1 538 538 ARG HA H 538 3.791 3.791 4.342 -0.551 18840 3749 1 11 . 1 1 538 538 ARG C C 538 178.403 178.403 178.671 -0.268 18840 3750 1 11 . 1 1 538 538 ARG CA C 538 60.937 60.937 60.740 0.197 18840 3751 1 11 . 1 1 538 538 ARG CB C 538 30.392 30.392 30.050 0.342 18840 3752 1 11 . 1 1 538 538 ARG H H 538 9.375 9.375 9.009 0.366 18840 3753 1 11 . 1 1 539 539 SER N N 539 114.562 114.562 113.982 0.580 18840 3754 1 11 . 1 1 539 539 SER HA H 539 4.491 4.491 4.415 0.076 18840 3755 1 11 . 1 1 539 539 SER C C 539 178.610 178.610 176.351 2.259 18840 3756 1 11 . 1 1 539 539 SER CA C 539 62.159 62.159 61.255 0.904 18840 3757 1 11 . 1 1 539 539 SER CB C 539 62.934 62.934 63.150 -0.216 18840 3758 1 11 . 1 1 539 539 SER H H 539 8.549 8.549 8.703 -0.154 18840 3759 1 11 . 1 1 540 540 CYS N N 540 126.990 126.990 122.132 4.858 18840 3760 1 11 . 1 1 540 540 CYS HA H 540 4.454 4.454 4.574 -0.120 18840 3761 1 11 . 1 1 540 540 CYS C C 540 178.546 178.546 177.060 1.486 18840 3762 1 11 . 1 1 540 540 CYS CA C 540 65.024 65.024 61.918 3.106 18840 3763 1 11 . 1 1 540 540 CYS CB C 540 30.747 30.747 26.456 4.290 18840 3764 1 11 . 1 1 540 540 CYS H H 540 9.534 9.534 8.351 1.183 18840 3765 1 11 . 1 1 541 541 TRP N N 541 121.037 121.037 121.902 -0.865 18840 3766 1 11 . 1 1 541 541 TRP HA H 541 3.319 3.319 4.298 -0.979 18840 3767 1 11 . 1 1 541 541 TRP C C 541 179.671 179.671 178.547 1.124 18840 3768 1 11 . 1 1 541 541 TRP CA C 541 62.783 62.783 60.858 1.925 18840 3769 1 11 . 1 1 541 541 TRP CB C 541 27.747 27.747 29.123 -1.376 18840 3770 1 11 . 1 1 541 541 TRP H H 541 9.632 9.632 9.113 0.519 18840 3771 1 11 . 1 1 542 542 HIS N N 542 119.251 119.251 120.880 -1.629 18840 3772 1 11 . 1 1 542 542 HIS HA H 542 4.330 4.330 4.300 0.030 18840 3773 1 11 . 1 1 542 542 HIS C C 542 177.291 177.291 177.013 0.278 18840 3774 1 11 . 1 1 542 542 HIS CA C 542 59.909 59.909 60.657 -0.748 18840 3775 1 11 . 1 1 542 542 HIS CB C 542 30.594 30.594 30.248 0.346 18840 3776 1 11 . 1 1 542 542 HIS H H 542 8.073 8.073 7.977 0.096 18840 3777 1 11 . 1 1 543 543 TRP N N 543 121.212 121.212 120.711 0.501 18840 3778 1 11 . 1 1 543 543 TRP HA H 543 4.231 4.231 4.206 0.025 18840 3779 1 11 . 1 1 543 543 TRP C C 543 178.256 178.256 178.016 0.240 18840 3780 1 11 . 1 1 543 543 TRP CA C 543 60.959 60.959 60.857 0.102 18840 3781 1 11 . 1 1 543 543 TRP CB C 543 28.593 28.593 29.607 -1.014 18840 3782 1 11 . 1 1 543 543 TRP H H 543 8.200 8.200 8.327 -0.127 18840 3783 1 11 . 1 1 544 544 ARG N N 544 118.044 118.044 118.465 -0.421 18840 3784 1 11 . 1 1 544 544 ARG HA H 544 3.199 3.199 3.737 -0.538 18840 3785 1 11 . 1 1 544 544 ARG C C 544 176.093 176.093 178.056 -1.963 18840 3786 1 11 . 1 1 544 544 ARG CA C 544 57.149 57.149 57.994 -0.845 18840 3787 1 11 . 1 1 544 544 ARG CB C 544 29.942 29.942 29.203 0.738 18840 3788 1 11 . 1 1 544 544 ARG H H 544 8.194 8.194 8.012 0.182 18840 3789 1 11 . 1 1 545 545 HIS N N 545 109.049 109.049 114.860 -5.811 18840 3790 1 11 . 1 1 545 545 HIS HA H 545 3.781 3.781 4.262 -0.481 18840 3791 1 11 . 1 1 545 545 HIS C C 545 173.247 173.247 175.221 -1.974 18840 3792 1 11 . 1 1 545 545 HIS CA C 545 58.848 58.848 56.428 2.420 18840 3793 1 11 . 1 1 545 545 HIS CB C 545 25.314 25.314 29.184 -3.870 18840 3794 1 11 . 1 1 545 545 HIS H H 545 7.410 7.410 7.589 -0.179 18840 3795 1 11 . 1 1 546 546 SER N N 546 112.353 112.353 114.373 -2.020 18840 3796 1 11 . 1 1 546 546 SER HA H 546 4.336 4.336 4.010 0.326 18840 3797 1 11 . 1 1 546 546 SER C C 546 174.714 174.714 174.656 0.058 18840 3798 1 11 . 1 1 546 546 SER CA C 546 59.042 59.042 59.049 -0.007 18840 3799 1 11 . 1 1 546 546 SER CB C 546 63.464 63.464 62.849 0.615 18840 3800 1 11 . 1 1 546 546 SER H H 546 6.948 6.948 7.060 -0.112 18840 3801 1 11 . 1 1 547 547 MET N N 547 121.366 121.366 122.018 -0.652 18840 3802 1 11 . 1 1 547 547 MET HA H 547 4.188 4.188 4.157 0.031 18840 3803 1 11 . 1 1 547 547 MET C C 547 175.421 175.421 175.004 0.417 18840 3804 1 11 . 1 1 547 547 MET CA C 547 55.504 55.504 55.909 -0.405 18840 3805 1 11 . 1 1 547 547 MET CB C 547 33.318 33.318 33.318 0.000 18840 3806 1 11 . 1 1 547 547 MET H H 547 6.821 6.821 6.925 -0.104 18840 3807 1 11 . 1 1 548 548 GLU N N 548 122.898 122.898 125.934 -3.036 18840 3808 1 11 . 1 1 548 548 GLU HA H 548 3.807 3.807 4.036 -0.229 18840 3809 1 11 . 1 1 548 548 GLU C C 548 176.918 176.918 177.308 -0.390 18840 3810 1 11 . 1 1 548 548 GLU CA C 548 58.746 58.746 58.344 0.402 18840 3811 1 11 . 1 1 548 548 GLU CB C 548 29.505 29.505 29.494 0.011 18840 3812 1 11 . 1 1 548 548 GLU H H 548 8.515 8.515 8.440 0.075 18840 3813 1 11 . 1 1 549 549 GLY N N 549 112.898 112.898 110.299 2.599 18840 3814 1 11 . 1 1 549 549 GLY C C 549 174.645 174.645 174.745 -0.100 18840 3815 1 11 . 1 1 549 549 GLY CA C 549 45.411 45.411 45.115 0.295 18840 3816 1 11 . 1 1 549 549 GLY H H 549 8.950 8.950 8.770 0.180 18840 3817 1 11 . 1 1 550 550 LEU N N 550 118.164 118.164 119.303 -1.139 18840 3818 1 11 . 1 1 550 550 LEU HA H 550 3.928 3.928 4.259 -0.331 18840 3819 1 11 . 1 1 550 550 LEU C C 550 177.030 177.030 177.600 -0.570 18840 3820 1 11 . 1 1 550 550 LEU CA C 550 54.291 54.291 53.894 0.397 18840 3821 1 11 . 1 1 550 550 LEU CB C 550 42.968 42.968 41.538 1.430 18840 3822 1 11 . 1 1 550 550 LEU H H 550 7.702 7.702 7.417 0.285 18840 3823 1 11 . 1 1 551 551 ARG N N 551 115.914 115.914 118.559 -2.645 18840 3824 1 11 . 1 1 551 551 ARG HA H 551 4.405 4.405 4.067 0.338 18840 3825 1 11 . 1 1 551 551 ARG C C 551 177.206 177.206 176.584 0.622 18840 3826 1 11 . 1 1 551 551 ARG CA C 551 58.406 58.406 57.848 0.558 18840 3827 1 11 . 1 1 551 551 ARG CB C 551 30.360 30.360 29.683 0.677 18840 3828 1 11 . 1 1 551 551 ARG H H 551 7.299 7.299 8.292 -0.993 18840 3829 1 11 . 1 1 552 552 HIS N N 552 113.766 113.766 114.733 -0.967 18840 3830 1 11 . 1 1 552 552 HIS HA H 552 4.692 4.692 4.693 -0.001 18840 3831 1 11 . 1 1 552 552 HIS C C 552 175.959 175.959 175.393 0.566 18840 3832 1 11 . 1 1 552 552 HIS CA C 552 56.223 56.223 55.732 0.491 18840 3833 1 11 . 1 1 552 552 HIS CB C 552 30.228 30.228 29.535 0.693 18840 3834 1 11 . 1 1 552 552 HIS H H 552 8.480 8.480 8.083 0.397 18840 3835 1 11 . 1 1 553 553 HIS N N 553 122.502 122.502 120.220 2.282 18840 3836 1 11 . 1 1 553 553 HIS HA H 553 4.459 4.459 4.361 0.098 18840 3837 1 11 . 1 1 553 553 HIS C C 553 174.820 174.820 174.865 -0.045 18840 3838 1 11 . 1 1 553 553 HIS CA C 553 55.553 55.553 56.434 -0.881 18840 3839 1 11 . 1 1 553 553 HIS CB C 553 31.320 31.320 30.517 0.803 18840 3840 1 11 . 1 1 553 553 HIS H H 553 6.954 6.954 7.326 -0.372 18840 3841 1 11 . 1 1 554 554 SER N N 554 117.586 117.586 115.850 1.736 18840 3842 1 11 . 1 1 554 554 SER HA H 554 5.128 5.128 4.958 0.170 18840 3843 1 11 . 1 1 554 554 SER CA C 554 55.199 55.199 55.675 -0.476 18840 3844 1 11 . 1 1 554 554 SER CB C 554 64.833 64.833 64.964 -0.131 18840 3845 1 11 . 1 1 554 554 SER H H 554 8.668 8.668 8.538 0.130 18840 3846 1 11 . 1 1 555 555 PRO HA H 555 4.296 4.296 4.687 -0.391 18840 3847 1 11 . 1 1 555 555 PRO C C 555 176.447 176.447 176.616 -0.169 18840 3848 1 11 . 1 1 555 555 PRO CA C 555 63.029 63.029 61.959 1.070 18840 3849 1 11 . 1 1 555 555 PRO CB C 555 31.779 31.779 31.771 0.008 18840 3850 1 11 . 1 1 556 556 LEU N N 556 123.469 123.469 124.363 -0.894 18840 3851 1 11 . 1 1 556 556 LEU HA H 556 4.788 4.788 4.468 0.320 18840 3852 1 11 . 1 1 556 556 LEU C C 556 176.176 176.176 177.976 -1.800 18840 3853 1 11 . 1 1 556 556 LEU CA C 556 54.247 54.247 54.738 -0.491 18840 3854 1 11 . 1 1 556 556 LEU CB C 556 44.237 44.237 42.753 1.484 18840 3855 1 11 . 1 1 556 556 LEU H H 556 8.802 8.802 8.588 0.214 18840 3856 1 11 . 1 1 557 557 MET N N 557 122.362 122.362 120.798 1.564 18840 3857 1 11 . 1 1 557 557 MET HA H 557 4.983 4.983 4.625 0.358 18840 3858 1 11 . 1 1 557 557 MET C C 557 175.983 175.983 176.722 -0.739 18840 3859 1 11 . 1 1 557 557 MET CA C 557 54.641 54.641 54.871 -0.230 18840 3860 1 11 . 1 1 557 557 MET CB C 557 34.181 34.181 32.458 1.723 18840 3861 1 11 . 1 1 557 557 MET H H 557 8.624 8.624 8.344 0.280 18840 3862 1 11 . 1 1 558 558 ARG N N 558 123.450 123.450 122.394 1.056 18840 3863 1 11 . 1 1 558 558 ARG HA H 558 4.302 4.302 4.242 0.060 18840 3864 1 11 . 1 1 558 558 ARG CA C 558 56.545 56.545 56.155 0.390 18840 3865 1 11 . 1 1 558 558 ARG CB C 558 31.139 31.139 31.010 0.129 18840 3866 1 11 . 1 1 558 558 ARG H H 558 8.901 8.901 8.413 0.488 18840 3867 1 11 . 1 1 559 559 ASN HA H 559 4.642 4.642 4.569 0.073 18840 3868 1 11 . 1 1 559 559 ASN CA C 559 53.286 53.286 54.519 -1.233 18840 3869 1 11 . 1 1 559 559 ASN CB C 559 38.877 38.877 38.731 0.145 18840 3870 1 11 . 1 1 560 560 GLN N N 560 121.173 121.173 118.573 2.600 18840 3871 1 11 . 1 1 560 560 GLN HA H 560 4.308 4.308 4.383 -0.075 18840 3872 1 11 . 1 1 560 560 GLN C C 560 175.883 175.883 174.207 1.676 18840 3873 1 11 . 1 1 560 560 GLN CA C 560 56.023 56.023 55.509 0.514 18840 3874 1 11 . 1 1 560 560 GLN CB C 560 29.702 29.702 30.515 -0.813 18840 3875 1 11 . 1 1 560 560 GLN H H 560 8.284 8.284 7.695 0.589 18840 3876 1 11 . 1 1 561 561 LYS N N 561 122.223 122.223 123.852 -1.629 18840 3877 1 11 . 1 1 561 561 LYS HA H 561 4.267 4.267 4.490 -0.223 18840 3878 1 11 . 1 1 561 561 LYS C C 561 176.349 176.349 176.451 -0.102 18840 3879 1 11 . 1 1 561 561 LYS CA C 561 56.659 56.659 55.876 0.783 18840 3880 1 11 . 1 1 561 561 LYS CB C 561 32.966 32.966 33.220 -0.254 18840 3881 1 11 . 1 1 561 561 LYS H H 561 8.350 8.350 8.285 0.065 18840 3882 1 11 . 1 1 562 562 ASN N N 562 119.683 119.683 120.124 -0.441 18840 3883 1 11 . 1 1 562 562 ASN HA H 562 4.681 4.681 4.653 0.028 18840 3884 1 11 . 1 1 562 562 ASN C C 562 175.298 175.298 175.411 -0.113 18840 3885 1 11 . 1 1 562 562 ASN CA C 562 53.375 53.375 53.159 0.216 18840 3886 1 11 . 1 1 562 562 ASN CB C 562 38.920 38.920 39.049 -0.129 18840 3887 1 11 . 1 1 562 562 ASN H H 562 8.440 8.440 8.444 -0.004 18840 3888 1 11 . 1 1 563 563 ARG N N 563 121.405 121.405 120.278 1.127 18840 3889 1 11 . 1 1 563 563 ARG HA H 563 4.315 4.315 4.304 0.011 18840 3890 1 11 . 1 1 563 563 ARG C C 563 176.088 176.088 176.365 -0.277 18840 3891 1 11 . 1 1 563 563 ARG CA C 563 56.489 56.489 56.062 0.427 18840 3892 1 11 . 1 1 563 563 ARG CB C 563 30.775 30.775 30.602 0.173 18840 3893 1 11 . 1 1 563 563 ARG H H 563 8.333 8.333 8.480 -0.147 18840 3894 1 11 . 1 1 564 564 ASP N N 564 121.203 121.203 120.375 0.828 18840 3895 1 11 . 1 1 564 564 ASP HA H 564 4.667 4.667 4.561 0.106 18840 3896 1 11 . 1 1 564 564 ASP C C 564 176.148 176.148 176.335 -0.187 18840 3897 1 11 . 1 1 564 564 ASP CA C 564 54.597 54.597 55.335 -0.738 18840 3898 1 11 . 1 1 564 564 ASP CB C 564 41.249 41.249 41.243 0.006 18840 3899 1 11 . 1 1 564 564 ASP H H 564 8.387 8.387 8.516 -0.129 18840 3900 1 11 . 1 1 565 565 SER N N 565 116.058 116.058 113.774 2.284 18840 3901 1 11 . 1 1 565 565 SER HA H 565 4.528 4.528 4.643 -0.115 18840 3902 1 11 . 1 1 565 565 SER C C 565 173.755 173.755 172.816 0.939 18840 3903 1 11 . 1 1 565 565 SER CA C 565 58.266 58.266 57.610 0.656 18840 3904 1 11 . 1 1 565 565 SER CB C 565 64.077 64.077 63.874 0.203 18840 3905 1 11 . 1 1 565 565 SER H H 565 8.186 8.186 7.714 0.472 18840 3906 1 12 . 1 1 503 503 PRO HA H 503 4.533 4.533 4.630 -0.097 18840 3907 1 12 . 1 1 503 503 PRO C C 503 176.777 176.777 176.446 0.331 18840 3908 1 12 . 1 1 503 503 PRO CA C 503 62.962 62.962 62.180 0.782 18840 3909 1 12 . 1 1 503 503 PRO CB C 503 32.403 32.403 33.422 -1.019 18840 3910 1 12 . 1 1 504 504 VAL N N 504 120.734 120.734 120.007 0.727 18840 3911 1 12 . 1 1 504 504 VAL HA H 504 4.102 4.102 4.026 0.076 18840 3912 1 12 . 1 1 504 504 VAL C C 504 175.887 175.887 175.054 0.833 18840 3913 1 12 . 1 1 504 504 VAL CA C 504 62.483 62.483 62.498 -0.015 18840 3914 1 12 . 1 1 504 504 VAL CB C 504 32.864 32.864 32.852 0.012 18840 3915 1 12 . 1 1 504 504 VAL H H 504 8.290 8.290 8.115 0.175 18840 3916 1 12 . 1 1 505 505 GLN N N 505 125.069 125.069 125.979 -0.910 18840 3917 1 12 . 1 1 505 505 GLN HA H 505 4.430 4.430 4.648 -0.218 18840 3918 1 12 . 1 1 505 505 GLN C C 505 175.207 175.207 174.901 0.306 18840 3919 1 12 . 1 1 505 505 GLN CA C 505 55.476 55.476 54.669 0.807 18840 3920 1 12 . 1 1 505 505 GLN CB C 505 29.918 29.918 30.066 -0.148 18840 3921 1 12 . 1 1 505 505 GLN H H 505 8.450 8.450 8.327 0.123 18840 3922 1 12 . 1 1 506 506 ILE N N 506 123.121 123.121 121.444 1.677 18840 3923 1 12 . 1 1 506 506 ILE HA H 506 4.303 4.303 4.249 0.054 18840 3924 1 12 . 1 1 506 506 ILE C C 506 175.607 175.607 175.490 0.117 18840 3925 1 12 . 1 1 506 506 ILE CA C 506 60.346 60.346 60.664 -0.318 18840 3926 1 12 . 1 1 506 506 ILE CB C 506 39.046 39.046 40.423 -1.377 18840 3927 1 12 . 1 1 506 506 ILE H H 506 8.259 8.259 8.206 0.053 18840 3928 1 12 . 1 1 507 507 ASP N N 507 126.258 126.258 126.859 -0.601 18840 3929 1 12 . 1 1 507 507 ASP HA H 507 4.909 4.909 4.776 0.133 18840 3930 1 12 . 1 1 507 507 ASP CA C 507 51.929 51.929 53.113 -1.184 18840 3931 1 12 . 1 1 507 507 ASP CB C 507 41.712 41.712 41.555 0.157 18840 3932 1 12 . 1 1 507 507 ASP H H 507 8.419 8.419 8.474 -0.055 18840 3933 1 12 . 1 1 508 508 PRO HA H 508 4.304 4.304 4.169 0.135 18840 3934 1 12 . 1 1 508 508 PRO C C 508 176.539 176.539 177.929 -1.390 18840 3935 1 12 . 1 1 508 508 PRO CA C 508 63.271 63.271 64.757 -1.486 18840 3936 1 12 . 1 1 508 508 PRO CB C 508 32.117 32.117 31.576 0.541 18840 3937 1 12 . 1 1 509 509 TYR N N 509 119.278 119.278 114.881 4.397 18840 3938 1 12 . 1 1 509 509 TYR HA H 509 4.486 4.486 4.301 0.185 18840 3939 1 12 . 1 1 509 509 TYR C C 509 175.814 175.814 176.808 -0.994 18840 3940 1 12 . 1 1 509 509 TYR CA C 509 57.945 57.945 60.154 -2.208 18840 3941 1 12 . 1 1 509 509 TYR CB C 509 37.723 37.723 37.373 0.350 18840 3942 1 12 . 1 1 509 509 TYR H H 509 8.218 8.218 7.857 0.361 18840 3943 1 12 . 1 1 510 510 LEU N N 510 122.827 122.827 115.741 7.086 18840 3944 1 12 . 1 1 510 510 LEU HA H 510 4.254 4.254 4.485 -0.231 18840 3945 1 12 . 1 1 510 510 LEU C C 510 176.689 176.689 178.045 -1.356 18840 3946 1 12 . 1 1 510 510 LEU CA C 510 54.934 54.934 54.751 0.183 18840 3947 1 12 . 1 1 510 510 LEU CB C 510 42.647 42.647 41.659 0.988 18840 3948 1 12 . 1 1 510 510 LEU H H 510 7.655 7.655 7.624 0.031 18840 3949 1 12 . 1 1 511 511 GLU N N 511 120.110 120.110 120.916 -0.806 18840 3950 1 12 . 1 1 511 511 GLU HA H 511 4.234 4.234 4.342 -0.108 18840 3951 1 12 . 1 1 511 511 GLU CA C 511 55.912 55.912 58.159 -2.247 18840 3952 1 12 . 1 1 511 511 GLU CB C 511 31.398 31.398 31.119 0.280 18840 3953 1 12 . 1 1 511 511 GLU H H 511 8.223 8.223 7.572 0.651 18840 3954 1 12 . 1 1 512 512 ASP N N 512 120.430 120.430 118.039 2.391 18840 3955 1 12 . 1 1 512 512 ASP HA H 512 4.439 4.439 4.864 -0.425 18840 3956 1 12 . 1 1 512 512 ASP C C 512 175.742 175.742 173.787 1.955 18840 3957 1 12 . 1 1 512 512 ASP CA C 512 54.405 54.405 54.377 0.028 18840 3958 1 12 . 1 1 512 512 ASP CB C 512 40.977 40.977 41.925 -0.948 18840 3959 1 12 . 1 1 512 512 ASP H H 512 8.258 8.258 7.699 0.559 18840 3960 1 12 . 1 1 513 513 SER N N 513 116.712 116.712 119.865 -3.153 18840 3961 1 12 . 1 1 513 513 SER HA H 513 4.282 4.282 4.431 -0.149 18840 3962 1 12 . 1 1 513 513 SER C C 513 174.628 174.628 173.676 0.952 18840 3963 1 12 . 1 1 513 513 SER CA C 513 57.783 57.783 57.013 0.770 18840 3964 1 12 . 1 1 513 513 SER CB C 513 64.481 64.481 63.809 0.672 18840 3965 1 12 . 1 1 513 513 SER H H 513 8.004 8.004 7.347 0.657 18840 3966 1 12 . 1 1 514 514 LEU N N 514 124.291 124.291 126.689 -2.398 18840 3967 1 12 . 1 1 514 514 LEU HA H 514 4.360 4.360 4.371 -0.011 18840 3968 1 12 . 1 1 514 514 LEU C C 514 176.422 176.422 175.441 0.981 18840 3969 1 12 . 1 1 514 514 LEU CA C 514 54.896 54.896 54.800 0.097 18840 3970 1 12 . 1 1 514 514 LEU CB C 514 43.711 43.711 43.634 0.077 18840 3971 1 12 . 1 1 514 514 LEU H H 514 8.248 8.248 8.321 -0.073 18840 3972 1 12 . 1 1 515 515 CYS N N 515 121.802 121.802 126.556 -4.754 18840 3973 1 12 . 1 1 515 515 CYS HA H 515 3.818 3.818 4.771 -0.953 18840 3974 1 12 . 1 1 515 515 CYS C C 515 177.418 177.418 176.472 0.946 18840 3975 1 12 . 1 1 515 515 CYS CA C 515 60.542 60.542 59.545 0.997 18840 3976 1 12 . 1 1 515 515 CYS CB C 515 31.859 31.859 26.616 5.243 18840 3977 1 12 . 1 1 515 515 CYS H H 515 8.418 8.418 8.425 -0.007 18840 3978 1 12 . 1 1 516 516 HIS N N 516 129.671 129.671 128.601 1.070 18840 3979 1 12 . 1 1 516 516 HIS HA H 516 4.497 4.497 4.373 0.124 18840 3980 1 12 . 1 1 516 516 HIS C C 516 175.845 175.845 176.196 -0.351 18840 3981 1 12 . 1 1 516 516 HIS CA C 516 58.672 58.672 59.319 -0.647 18840 3982 1 12 . 1 1 516 516 HIS CB C 516 31.910 31.910 30.153 1.757 18840 3983 1 12 . 1 1 516 516 HIS H H 516 9.149 9.149 8.957 0.192 18840 3984 1 12 . 1 1 517 517 ILE N N 517 121.766 121.766 117.809 3.957 18840 3985 1 12 . 1 1 517 517 ILE HA H 517 4.170 4.170 3.873 0.297 18840 3986 1 12 . 1 1 517 517 ILE C C 517 177.448 177.448 177.907 -0.459 18840 3987 1 12 . 1 1 517 517 ILE CA C 517 61.900 61.900 63.027 -1.127 18840 3988 1 12 . 1 1 517 517 ILE CB C 517 35.256 35.256 37.047 -1.791 18840 3989 1 12 . 1 1 517 517 ILE H H 517 9.347 9.347 7.963 1.384 18840 3990 1 12 . 1 1 518 518 CYS N N 518 118.774 118.774 116.165 2.609 18840 3991 1 12 . 1 1 518 518 CYS HA H 518 4.772 4.772 4.403 0.369 18840 3992 1 12 . 1 1 518 518 CYS C C 518 176.883 176.883 175.766 1.117 18840 3993 1 12 . 1 1 518 518 CYS CA C 518 59.309 59.309 58.861 0.448 18840 3994 1 12 . 1 1 518 518 CYS CB C 518 31.994 31.994 27.289 4.705 18840 3995 1 12 . 1 1 518 518 CYS H H 518 8.564 8.564 8.131 0.433 18840 3996 1 12 . 1 1 519 519 SER N N 519 116.362 116.362 115.262 1.100 18840 3997 1 12 . 1 1 519 519 SER HA H 519 4.403 4.403 4.242 0.161 18840 3998 1 12 . 1 1 519 519 SER C C 519 174.258 174.258 174.016 0.242 18840 3999 1 12 . 1 1 519 519 SER CA C 519 60.236 60.236 60.057 0.179 18840 4000 1 12 . 1 1 519 519 SER CB C 519 62.727 62.727 61.423 1.304 18840 4001 1 12 . 1 1 519 519 SER H H 519 7.619 7.619 8.584 -0.965 18840 4002 1 12 . 1 1 520 520 SER N N 520 113.506 113.506 114.339 -0.833 18840 4003 1 12 . 1 1 520 520 SER HA H 520 4.832 4.832 4.573 0.259 18840 4004 1 12 . 1 1 520 520 SER C C 520 172.953 172.953 173.131 -0.178 18840 4005 1 12 . 1 1 520 520 SER CA C 520 58.849 58.849 59.054 -0.205 18840 4006 1 12 . 1 1 520 520 SER CB C 520 65.701 65.701 64.301 1.400 18840 4007 1 12 . 1 1 520 520 SER H H 520 8.328 8.328 8.071 0.257 18840 4008 1 12 . 1 1 521 521 GLN N N 521 118.652 118.652 117.739 0.913 18840 4009 1 12 . 1 1 521 521 GLN HA H 521 4.932 4.932 4.783 0.149 18840 4010 1 12 . 1 1 521 521 GLN CA C 521 52.845 52.845 53.672 -0.827 18840 4011 1 12 . 1 1 521 521 GLN CB C 521 30.606 30.606 29.114 1.492 18840 4012 1 12 . 1 1 521 521 GLN H H 521 7.416 7.416 7.765 -0.349 18840 4013 1 12 . 1 1 522 522 PRO HA H 522 4.415 4.415 4.834 -0.419 18840 4014 1 12 . 1 1 522 522 PRO C C 522 175.086 175.086 176.968 -1.882 18840 4015 1 12 . 1 1 522 522 PRO CA C 522 63.782 63.782 62.508 1.274 18840 4016 1 12 . 1 1 522 522 PRO CB C 522 32.536 32.536 32.702 -0.166 18840 4017 1 12 . 1 1 523 523 GLY N N 523 110.217 110.217 108.447 1.770 18840 4018 1 12 . 1 1 523 523 GLY CA C 523 46.095 46.095 42.759 3.336 18840 4019 1 12 . 1 1 523 523 GLY H H 523 8.909 8.909 8.126 0.783 18840 4020 1 12 . 1 1 524 524 PRO HA H 524 4.457 4.457 4.203 0.254 18840 4021 1 12 . 1 1 524 524 PRO C C 524 176.040 176.040 176.104 -0.064 18840 4022 1 12 . 1 1 524 524 PRO CA C 524 63.115 63.115 63.639 -0.524 18840 4023 1 12 . 1 1 524 524 PRO CB C 524 32.830 32.830 31.839 0.991 18840 4024 1 12 . 1 1 525 525 PHE N N 525 116.223 116.223 118.511 -2.288 18840 4025 1 12 . 1 1 525 525 PHE HA H 525 5.039 5.039 4.668 0.371 18840 4026 1 12 . 1 1 525 525 PHE C C 525 174.437 174.437 174.444 -0.007 18840 4027 1 12 . 1 1 525 525 PHE CA C 525 56.080 56.080 56.244 -0.164 18840 4028 1 12 . 1 1 525 525 PHE CB C 525 39.780 39.780 40.297 -0.517 18840 4029 1 12 . 1 1 525 525 PHE H H 525 8.148 8.148 7.281 0.867 18840 4030 1 12 . 1 1 526 526 PHE N N 526 125.861 125.861 124.135 1.726 18840 4031 1 12 . 1 1 526 526 PHE HA H 526 5.102 5.102 5.412 -0.310 18840 4032 1 12 . 1 1 526 526 PHE C C 526 175.221 175.221 174.099 1.122 18840 4033 1 12 . 1 1 526 526 PHE CA C 526 56.865 56.865 56.305 0.560 18840 4034 1 12 . 1 1 526 526 PHE CB C 526 41.661 41.661 42.442 -0.781 18840 4035 1 12 . 1 1 526 526 PHE H H 526 9.522 9.522 8.748 0.774 18840 4036 1 12 . 1 1 527 527 CYS N N 527 128.663 128.663 127.917 0.746 18840 4037 1 12 . 1 1 527 527 CYS HA H 527 4.931 4.931 5.214 -0.283 18840 4038 1 12 . 1 1 527 527 CYS C C 527 174.052 174.052 174.591 -0.539 18840 4039 1 12 . 1 1 527 527 CYS CA C 527 58.267 58.267 56.599 1.667 18840 4040 1 12 . 1 1 527 527 CYS CB C 527 31.075 31.075 29.368 1.707 18840 4041 1 12 . 1 1 527 527 CYS H H 527 7.723 7.723 8.332 -0.609 18840 4042 1 12 . 1 1 528 528 ARG N N 528 125.354 125.354 126.057 -0.703 18840 4043 1 12 . 1 1 528 528 ARG HA H 528 4.148 4.148 4.673 -0.525 18840 4044 1 12 . 1 1 528 528 ARG C C 528 175.406 175.406 175.757 -0.351 18840 4045 1 12 . 1 1 528 528 ARG CA C 528 55.971 55.971 54.793 1.178 18840 4046 1 12 . 1 1 528 528 ARG CB C 528 31.165 31.165 29.789 1.376 18840 4047 1 12 . 1 1 528 528 ARG H H 528 8.866 8.866 8.487 0.379 18840 4048 1 12 . 1 1 529 529 ASP N N 529 124.001 124.001 120.517 3.484 18840 4049 1 12 . 1 1 529 529 ASP HA H 529 4.203 4.203 4.252 -0.049 18840 4050 1 12 . 1 1 529 529 ASP C C 529 178.105 178.105 176.532 1.573 18840 4051 1 12 . 1 1 529 529 ASP CA C 529 56.288 56.288 53.505 2.783 18840 4052 1 12 . 1 1 529 529 ASP CB C 529 43.574 43.574 42.227 1.347 18840 4053 1 12 . 1 1 529 529 ASP H H 529 8.198 8.198 7.137 1.061 18840 4054 1 12 . 1 1 530 530 GLN N N 530 125.372 125.372 121.540 3.832 18840 4055 1 12 . 1 1 530 530 GLN HA H 530 3.894 3.894 3.230 0.664 18840 4056 1 12 . 1 1 530 530 GLN C C 530 177.471 177.471 176.567 0.904 18840 4057 1 12 . 1 1 530 530 GLN CA C 530 59.159 59.159 57.819 1.341 18840 4058 1 12 . 1 1 530 530 GLN CB C 530 28.731 28.731 28.159 0.572 18840 4059 1 12 . 1 1 530 530 GLN H H 530 8.746 8.746 8.363 0.383 18840 4060 1 12 . 1 1 531 531 VAL N N 531 113.137 113.137 117.263 -4.126 18840 4061 1 12 . 1 1 531 531 VAL HA H 531 4.282 4.282 3.774 0.508 18840 4062 1 12 . 1 1 531 531 VAL C C 531 176.295 176.295 176.222 0.073 18840 4063 1 12 . 1 1 531 531 VAL CA C 531 63.324 63.324 65.162 -1.838 18840 4064 1 12 . 1 1 531 531 VAL CB C 531 31.457 31.457 32.022 -0.564 18840 4065 1 12 . 1 1 531 531 VAL H H 531 8.659 8.659 8.794 -0.135 18840 4066 1 12 . 1 1 532 532 CYS N N 532 121.034 121.034 116.736 4.298 18840 4067 1 12 . 1 1 532 532 CYS HA H 532 4.568 4.568 4.665 -0.097 18840 4068 1 12 . 1 1 532 532 CYS C C 532 172.994 172.994 174.785 -1.791 18840 4069 1 12 . 1 1 532 532 CYS CA C 532 60.437 60.437 59.300 1.137 18840 4070 1 12 . 1 1 532 532 CYS CB C 532 31.856 31.856 28.942 2.913 18840 4071 1 12 . 1 1 532 532 CYS H H 532 8.023 8.023 7.166 0.857 18840 4072 1 12 . 1 1 533 533 PHE N N 533 129.389 129.389 119.230 10.159 18840 4073 1 12 . 1 1 533 533 PHE HA H 533 4.197 4.197 4.130 0.067 18840 4074 1 12 . 1 1 533 533 PHE C C 533 174.830 174.830 174.257 0.573 18840 4075 1 12 . 1 1 533 533 PHE CA C 533 59.754 59.754 58.216 1.538 18840 4076 1 12 . 1 1 533 533 PHE CB C 533 38.260 38.260 36.456 1.804 18840 4077 1 12 . 1 1 533 533 PHE H H 533 7.928 7.928 8.059 -0.131 18840 4078 1 12 . 1 1 534 534 LYS N N 534 113.676 113.676 116.976 -3.300 18840 4079 1 12 . 1 1 534 534 LYS HA H 534 4.466 4.466 4.657 -0.191 18840 4080 1 12 . 1 1 534 534 LYS C C 534 173.055 173.055 174.177 -1.122 18840 4081 1 12 . 1 1 534 534 LYS CA C 534 54.068 54.068 54.106 -0.038 18840 4082 1 12 . 1 1 534 534 LYS CB C 534 37.800 37.800 35.764 2.036 18840 4083 1 12 . 1 1 534 534 LYS H H 534 6.430 6.430 7.388 -0.958 18840 4084 1 12 . 1 1 535 535 TYR N N 535 117.686 117.686 120.490 -2.804 18840 4085 1 12 . 1 1 535 535 TYR HA H 535 5.165 5.165 5.549 -0.384 18840 4086 1 12 . 1 1 535 535 TYR C C 535 175.888 175.888 175.779 0.109 18840 4087 1 12 . 1 1 535 535 TYR CA C 535 58.593 58.593 56.347 2.246 18840 4088 1 12 . 1 1 535 535 TYR CB C 535 40.020 40.020 39.192 0.828 18840 4089 1 12 . 1 1 535 535 TYR H H 535 7.145 7.145 8.731 -1.586 18840 4090 1 12 . 1 1 536 536 PHE N N 536 117.497 117.497 118.057 -0.560 18840 4091 1 12 . 1 1 536 536 PHE HA H 536 6.399 6.399 5.129 1.270 18840 4092 1 12 . 1 1 536 536 PHE C C 536 177.127 177.127 175.623 1.504 18840 4093 1 12 . 1 1 536 536 PHE CA C 536 57.056 57.056 56.899 0.157 18840 4094 1 12 . 1 1 536 536 PHE CB C 536 45.217 45.217 43.837 1.380 18840 4095 1 12 . 1 1 536 536 PHE H H 536 9.608 9.608 9.089 0.519 18840 4096 1 12 . 1 1 537 537 CYS N N 537 119.624 119.624 120.792 -1.168 18840 4097 1 12 . 1 1 537 537 CYS HA H 537 5.499 5.499 4.804 0.695 18840 4098 1 12 . 1 1 537 537 CYS C C 537 176.128 176.128 176.864 -0.736 18840 4099 1 12 . 1 1 537 537 CYS CA C 537 58.097 58.097 59.778 -1.681 18840 4100 1 12 . 1 1 537 537 CYS CB C 537 32.306 32.306 29.147 3.159 18840 4101 1 12 . 1 1 537 537 CYS H H 537 9.777 9.777 9.101 0.676 18840 4102 1 12 . 1 1 538 538 ARG N N 538 120.573 120.573 122.620 -2.047 18840 4103 1 12 . 1 1 538 538 ARG HA H 538 3.791 3.791 4.354 -0.563 18840 4104 1 12 . 1 1 538 538 ARG C C 538 178.403 178.403 178.649 -0.246 18840 4105 1 12 . 1 1 538 538 ARG CA C 538 60.937 60.937 60.008 0.929 18840 4106 1 12 . 1 1 538 538 ARG CB C 538 30.392 30.392 29.561 0.831 18840 4107 1 12 . 1 1 538 538 ARG H H 538 9.375 9.375 9.035 0.340 18840 4108 1 12 . 1 1 539 539 SER N N 539 114.562 114.562 113.257 1.305 18840 4109 1 12 . 1 1 539 539 SER HA H 539 4.491 4.491 4.368 0.123 18840 4110 1 12 . 1 1 539 539 SER C C 539 178.610 178.610 176.347 2.263 18840 4111 1 12 . 1 1 539 539 SER CA C 539 62.159 62.159 61.382 0.777 18840 4112 1 12 . 1 1 539 539 SER CB C 539 62.934 62.934 62.850 0.084 18840 4113 1 12 . 1 1 539 539 SER H H 539 8.549 8.549 8.797 -0.248 18840 4114 1 12 . 1 1 540 540 CYS N N 540 126.990 126.990 122.044 4.946 18840 4115 1 12 . 1 1 540 540 CYS HA H 540 4.454 4.454 4.540 -0.086 18840 4116 1 12 . 1 1 540 540 CYS C C 540 178.546 178.546 177.056 1.490 18840 4117 1 12 . 1 1 540 540 CYS CA C 540 65.024 65.024 61.981 3.043 18840 4118 1 12 . 1 1 540 540 CYS CB C 540 30.747 30.747 26.408 4.339 18840 4119 1 12 . 1 1 540 540 CYS H H 540 9.534 9.534 8.325 1.209 18840 4120 1 12 . 1 1 541 541 TRP N N 541 121.037 121.037 122.103 -1.066 18840 4121 1 12 . 1 1 541 541 TRP HA H 541 3.319 3.319 4.201 -0.882 18840 4122 1 12 . 1 1 541 541 TRP C C 541 179.671 179.671 177.859 1.812 18840 4123 1 12 . 1 1 541 541 TRP CA C 541 62.783 62.783 61.177 1.606 18840 4124 1 12 . 1 1 541 541 TRP CB C 541 27.747 27.747 29.068 -1.321 18840 4125 1 12 . 1 1 541 541 TRP H H 541 9.632 9.632 9.113 0.519 18840 4126 1 12 . 1 1 542 542 HIS N N 542 119.251 119.251 120.685 -1.434 18840 4127 1 12 . 1 1 542 542 HIS HA H 542 4.330 4.330 4.315 0.015 18840 4128 1 12 . 1 1 542 542 HIS C C 542 177.291 177.291 177.286 0.005 18840 4129 1 12 . 1 1 542 542 HIS CA C 542 59.909 59.909 61.316 -1.407 18840 4130 1 12 . 1 1 542 542 HIS CB C 542 30.594 30.594 30.079 0.515 18840 4131 1 12 . 1 1 542 542 HIS H H 542 8.073 8.073 8.195 -0.122 18840 4132 1 12 . 1 1 543 543 TRP N N 543 121.212 121.212 120.197 1.015 18840 4133 1 12 . 1 1 543 543 TRP HA H 543 4.231 4.231 4.223 0.008 18840 4134 1 12 . 1 1 543 543 TRP C C 543 178.256 178.256 178.276 -0.020 18840 4135 1 12 . 1 1 543 543 TRP CA C 543 60.959 60.959 61.123 -0.165 18840 4136 1 12 . 1 1 543 543 TRP CB C 543 28.593 28.593 29.636 -1.043 18840 4137 1 12 . 1 1 543 543 TRP H H 543 8.200 8.200 8.290 -0.090 18840 4138 1 12 . 1 1 544 544 ARG N N 544 118.044 118.044 118.339 -0.295 18840 4139 1 12 . 1 1 544 544 ARG HA H 544 3.199 3.199 3.754 -0.555 18840 4140 1 12 . 1 1 544 544 ARG C C 544 176.093 176.093 178.129 -2.036 18840 4141 1 12 . 1 1 544 544 ARG CA C 544 57.149 57.149 57.993 -0.844 18840 4142 1 12 . 1 1 544 544 ARG CB C 544 29.942 29.942 29.443 0.499 18840 4143 1 12 . 1 1 544 544 ARG H H 544 8.194 8.194 7.963 0.231 18840 4144 1 12 . 1 1 545 545 HIS N N 545 109.049 109.049 116.091 -7.042 18840 4145 1 12 . 1 1 545 545 HIS HA H 545 3.781 3.781 4.216 -0.435 18840 4146 1 12 . 1 1 545 545 HIS C C 545 173.247 173.247 176.162 -2.915 18840 4147 1 12 . 1 1 545 545 HIS CA C 545 58.848 58.848 57.238 1.610 18840 4148 1 12 . 1 1 545 545 HIS CB C 545 25.314 25.314 29.531 -4.217 18840 4149 1 12 . 1 1 545 545 HIS H H 545 7.410 7.410 7.915 -0.505 18840 4150 1 12 . 1 1 546 546 SER N N 546 112.353 112.353 115.547 -3.194 18840 4151 1 12 . 1 1 546 546 SER HA H 546 4.336 4.336 3.958 0.378 18840 4152 1 12 . 1 1 546 546 SER C C 546 174.714 174.714 174.254 0.460 18840 4153 1 12 . 1 1 546 546 SER CA C 546 59.042 59.042 59.782 -0.740 18840 4154 1 12 . 1 1 546 546 SER CB C 546 63.464 63.464 62.895 0.569 18840 4155 1 12 . 1 1 546 546 SER H H 546 6.948 6.948 7.567 -0.619 18840 4156 1 12 . 1 1 547 547 MET N N 547 121.366 121.366 119.958 1.408 18840 4157 1 12 . 1 1 547 547 MET HA H 547 4.188 4.188 4.063 0.125 18840 4158 1 12 . 1 1 547 547 MET C C 547 175.421 175.421 175.244 0.177 18840 4159 1 12 . 1 1 547 547 MET CA C 547 55.504 55.504 55.834 -0.330 18840 4160 1 12 . 1 1 547 547 MET CB C 547 33.318 33.318 32.719 0.599 18840 4161 1 12 . 1 1 547 547 MET H H 547 6.821 6.821 6.997 -0.176 18840 4162 1 12 . 1 1 548 548 GLU N N 548 122.898 122.898 124.705 -1.807 18840 4163 1 12 . 1 1 548 548 GLU HA H 548 3.807 3.807 4.036 -0.229 18840 4164 1 12 . 1 1 548 548 GLU C C 548 176.918 176.918 177.073 -0.155 18840 4165 1 12 . 1 1 548 548 GLU CA C 548 58.746 58.746 57.206 1.540 18840 4166 1 12 . 1 1 548 548 GLU CB C 548 29.505 29.505 29.456 0.049 18840 4167 1 12 . 1 1 548 548 GLU H H 548 8.515 8.515 8.395 0.120 18840 4168 1 12 . 1 1 549 549 GLY N N 549 112.898 112.898 110.153 2.745 18840 4169 1 12 . 1 1 549 549 GLY C C 549 174.645 174.645 174.596 0.049 18840 4170 1 12 . 1 1 549 549 GLY CA C 549 45.411 45.411 45.146 0.265 18840 4171 1 12 . 1 1 549 549 GLY H H 549 8.950 8.950 8.783 0.167 18840 4172 1 12 . 1 1 550 550 LEU N N 550 118.164 118.164 119.421 -1.257 18840 4173 1 12 . 1 1 550 550 LEU HA H 550 3.928 3.928 4.267 -0.339 18840 4174 1 12 . 1 1 550 550 LEU C C 550 177.030 177.030 177.501 -0.471 18840 4175 1 12 . 1 1 550 550 LEU CA C 550 54.291 54.291 53.922 0.368 18840 4176 1 12 . 1 1 550 550 LEU CB C 550 42.968 42.968 41.666 1.302 18840 4177 1 12 . 1 1 550 550 LEU H H 550 7.702 7.702 7.311 0.391 18840 4178 1 12 . 1 1 551 551 ARG N N 551 115.914 115.914 118.368 -2.454 18840 4179 1 12 . 1 1 551 551 ARG HA H 551 4.405 4.405 4.083 0.322 18840 4180 1 12 . 1 1 551 551 ARG C C 551 177.206 177.206 176.437 0.769 18840 4181 1 12 . 1 1 551 551 ARG CA C 551 58.406 58.406 57.695 0.711 18840 4182 1 12 . 1 1 551 551 ARG CB C 551 30.360 30.360 29.579 0.781 18840 4183 1 12 . 1 1 551 551 ARG H H 551 7.299 7.299 8.266 -0.967 18840 4184 1 12 . 1 1 552 552 HIS N N 552 113.766 113.766 114.845 -1.079 18840 4185 1 12 . 1 1 552 552 HIS HA H 552 4.692 4.692 4.678 0.014 18840 4186 1 12 . 1 1 552 552 HIS C C 552 175.959 175.959 174.454 1.505 18840 4187 1 12 . 1 1 552 552 HIS CA C 552 56.223 56.223 55.404 0.819 18840 4188 1 12 . 1 1 552 552 HIS CB C 552 30.228 30.228 29.386 0.842 18840 4189 1 12 . 1 1 552 552 HIS H H 552 8.480 8.480 7.986 0.494 18840 4190 1 12 . 1 1 553 553 HIS N N 553 122.502 122.502 120.259 2.243 18840 4191 1 12 . 1 1 553 553 HIS HA H 553 4.459 4.459 4.363 0.096 18840 4192 1 12 . 1 1 553 553 HIS C C 553 174.820 174.820 174.592 0.228 18840 4193 1 12 . 1 1 553 553 HIS CA C 553 55.553 55.553 56.091 -0.538 18840 4194 1 12 . 1 1 553 553 HIS CB C 553 31.320 31.320 30.584 0.736 18840 4195 1 12 . 1 1 553 553 HIS H H 553 6.954 6.954 7.273 -0.319 18840 4196 1 12 . 1 1 554 554 SER N N 554 117.586 117.586 116.235 1.351 18840 4197 1 12 . 1 1 554 554 SER HA H 554 5.128 5.128 4.908 0.220 18840 4198 1 12 . 1 1 554 554 SER CA C 554 55.199 55.199 56.008 -0.809 18840 4199 1 12 . 1 1 554 554 SER CB C 554 64.833 64.833 65.909 -1.076 18840 4200 1 12 . 1 1 554 554 SER H H 554 8.668 8.668 8.605 0.063 18840 4201 1 12 . 1 1 555 555 PRO HA H 555 4.296 4.296 4.616 -0.320 18840 4202 1 12 . 1 1 555 555 PRO C C 555 176.447 176.447 176.393 0.054 18840 4203 1 12 . 1 1 555 555 PRO CA C 555 63.029 63.029 62.037 0.992 18840 4204 1 12 . 1 1 555 555 PRO CB C 555 31.779 31.779 31.552 0.227 18840 4205 1 12 . 1 1 556 556 LEU N N 556 123.469 123.469 125.708 -2.239 18840 4206 1 12 . 1 1 556 556 LEU HA H 556 4.788 4.788 4.518 0.270 18840 4207 1 12 . 1 1 556 556 LEU C C 556 176.176 176.176 177.231 -1.055 18840 4208 1 12 . 1 1 556 556 LEU CA C 556 54.247 54.247 55.146 -0.899 18840 4209 1 12 . 1 1 556 556 LEU CB C 556 44.237 44.237 42.974 1.264 18840 4210 1 12 . 1 1 556 556 LEU H H 556 8.802 8.802 8.658 0.144 18840 4211 1 12 . 1 1 557 557 MET N N 557 122.362 122.362 120.596 1.766 18840 4212 1 12 . 1 1 557 557 MET HA H 557 4.983 4.983 4.879 0.104 18840 4213 1 12 . 1 1 557 557 MET C C 557 175.983 175.983 176.460 -0.477 18840 4214 1 12 . 1 1 557 557 MET CA C 557 54.641 54.641 53.378 1.263 18840 4215 1 12 . 1 1 557 557 MET CB C 557 34.181 34.181 33.845 0.336 18840 4216 1 12 . 1 1 557 557 MET H H 557 8.624 8.624 8.223 0.401 18840 4217 1 12 . 1 1 558 558 ARG N N 558 123.450 123.450 123.698 -0.248 18840 4218 1 12 . 1 1 558 558 ARG HA H 558 4.302 4.302 4.407 -0.105 18840 4219 1 12 . 1 1 558 558 ARG CA C 558 56.545 56.545 55.815 0.730 18840 4220 1 12 . 1 1 558 558 ARG CB C 558 31.139 31.139 30.866 0.273 18840 4221 1 12 . 1 1 558 558 ARG H H 558 8.901 8.901 8.364 0.537 18840 4222 1 12 . 1 1 559 559 ASN HA H 559 4.642 4.642 4.743 -0.101 18840 4223 1 12 . 1 1 559 559 ASN CA C 559 53.286 53.286 52.807 0.479 18840 4224 1 12 . 1 1 559 559 ASN CB C 559 38.877 38.877 39.347 -0.470 18840 4225 1 12 . 1 1 560 560 GLN N N 560 121.173 121.173 122.469 -1.296 18840 4226 1 12 . 1 1 560 560 GLN HA H 560 4.308 4.308 4.271 0.037 18840 4227 1 12 . 1 1 560 560 GLN C C 560 175.883 175.883 176.357 -0.474 18840 4228 1 12 . 1 1 560 560 GLN CA C 560 56.023 56.023 57.081 -1.058 18840 4229 1 12 . 1 1 560 560 GLN CB C 560 29.702 29.702 29.320 0.382 18840 4230 1 12 . 1 1 560 560 GLN H H 560 8.284 8.284 8.538 -0.254 18840 4231 1 12 . 1 1 561 561 LYS N N 561 122.223 122.223 120.105 2.118 18840 4232 1 12 . 1 1 561 561 LYS HA H 561 4.267 4.267 4.313 -0.046 18840 4233 1 12 . 1 1 561 561 LYS C C 561 176.349 176.349 175.485 0.864 18840 4234 1 12 . 1 1 561 561 LYS CA C 561 56.659 56.659 55.786 0.873 18840 4235 1 12 . 1 1 561 561 LYS CB C 561 32.966 32.966 33.191 -0.225 18840 4236 1 12 . 1 1 561 561 LYS H H 561 8.350 8.350 8.097 0.253 18840 4237 1 12 . 1 1 562 562 ASN N N 562 119.683 119.683 119.749 -0.066 18840 4238 1 12 . 1 1 562 562 ASN HA H 562 4.681 4.681 4.622 0.059 18840 4239 1 12 . 1 1 562 562 ASN C C 562 175.298 175.298 175.511 -0.213 18840 4240 1 12 . 1 1 562 562 ASN CA C 562 53.375 53.375 52.760 0.615 18840 4241 1 12 . 1 1 562 562 ASN CB C 562 38.920 38.920 39.231 -0.311 18840 4242 1 12 . 1 1 562 562 ASN H H 562 8.440 8.440 8.398 0.042 18840 4243 1 12 . 1 1 563 563 ARG N N 563 121.405 121.405 119.978 1.427 18840 4244 1 12 . 1 1 563 563 ARG HA H 563 4.315 4.315 4.404 -0.089 18840 4245 1 12 . 1 1 563 563 ARG C C 563 176.088 176.088 175.390 0.698 18840 4246 1 12 . 1 1 563 563 ARG CA C 563 56.489 56.489 56.642 -0.153 18840 4247 1 12 . 1 1 563 563 ARG CB C 563 30.775 30.775 30.777 -0.002 18840 4248 1 12 . 1 1 563 563 ARG H H 563 8.333 8.333 8.390 -0.057 18840 4249 1 12 . 1 1 564 564 ASP N N 564 121.203 121.203 121.558 -0.355 18840 4250 1 12 . 1 1 564 564 ASP HA H 564 4.667 4.667 4.849 -0.182 18840 4251 1 12 . 1 1 564 564 ASP C C 564 176.148 176.148 174.628 1.520 18840 4252 1 12 . 1 1 564 564 ASP CA C 564 54.597 54.597 53.893 0.704 18840 4253 1 12 . 1 1 564 564 ASP CB C 564 41.249 41.249 42.029 -0.780 18840 4254 1 12 . 1 1 564 564 ASP H H 564 8.387 8.387 8.305 0.082 18840 4255 1 12 . 1 1 565 565 SER N N 565 116.058 116.058 116.786 -0.728 18840 4256 1 12 . 1 1 565 565 SER HA H 565 4.528 4.528 4.849 -0.321 18840 4257 1 12 . 1 1 565 565 SER C C 565 173.755 173.755 173.403 0.352 18840 4258 1 12 . 1 1 565 565 SER CA C 565 58.266 58.266 57.389 0.877 18840 4259 1 12 . 1 1 565 565 SER CB C 565 64.077 64.077 63.790 0.287 18840 4260 1 12 . 1 1 565 565 SER H H 565 8.186 8.186 8.648 -0.462 18840 4261 1 13 . 1 1 503 503 PRO HA H 503 4.533 4.533 5.163 -0.630 18840 4262 1 13 . 1 1 503 503 PRO C C 503 176.777 176.777 175.445 1.332 18840 4263 1 13 . 1 1 503 503 PRO CA C 503 62.962 62.962 62.709 0.253 18840 4264 1 13 . 1 1 503 503 PRO CB C 503 32.403 32.403 34.049 -1.646 18840 4265 1 13 . 1 1 504 504 VAL N N 504 120.734 120.734 119.142 1.592 18840 4266 1 13 . 1 1 504 504 VAL HA H 504 4.102 4.102 4.274 -0.172 18840 4267 1 13 . 1 1 504 504 VAL C C 504 175.887 175.887 174.192 1.695 18840 4268 1 13 . 1 1 504 504 VAL CA C 504 62.483 62.483 61.678 0.805 18840 4269 1 13 . 1 1 504 504 VAL CB C 504 32.864 32.864 34.133 -1.269 18840 4270 1 13 . 1 1 504 504 VAL H H 504 8.290 8.290 8.042 0.248 18840 4271 1 13 . 1 1 505 505 GLN N N 505 125.069 125.069 124.105 0.964 18840 4272 1 13 . 1 1 505 505 GLN HA H 505 4.430 4.430 4.822 -0.392 18840 4273 1 13 . 1 1 505 505 GLN C C 505 175.207 175.207 175.219 -0.012 18840 4274 1 13 . 1 1 505 505 GLN CA C 505 55.476 55.476 55.329 0.147 18840 4275 1 13 . 1 1 505 505 GLN CB C 505 29.918 29.918 30.886 -0.968 18840 4276 1 13 . 1 1 505 505 GLN H H 505 8.450 8.450 8.414 0.036 18840 4277 1 13 . 1 1 506 506 ILE N N 506 123.121 123.121 118.023 5.098 18840 4278 1 13 . 1 1 506 506 ILE HA H 506 4.303 4.303 4.298 0.005 18840 4279 1 13 . 1 1 506 506 ILE C C 506 175.607 175.607 176.412 -0.805 18840 4280 1 13 . 1 1 506 506 ILE CA C 506 60.346 60.346 62.134 -1.788 18840 4281 1 13 . 1 1 506 506 ILE CB C 506 39.046 39.046 38.647 0.399 18840 4282 1 13 . 1 1 506 506 ILE H H 506 8.259 8.259 8.388 -0.129 18840 4283 1 13 . 1 1 507 507 ASP N N 507 126.258 126.258 121.304 4.954 18840 4284 1 13 . 1 1 507 507 ASP HA H 507 4.909 4.909 4.878 0.031 18840 4285 1 13 . 1 1 507 507 ASP CA C 507 51.929 51.929 52.499 -0.570 18840 4286 1 13 . 1 1 507 507 ASP CB C 507 41.712 41.712 41.645 0.067 18840 4287 1 13 . 1 1 507 507 ASP H H 507 8.419 8.419 8.186 0.233 18840 4288 1 13 . 1 1 508 508 PRO HA H 508 4.304 4.304 4.542 -0.238 18840 4289 1 13 . 1 1 508 508 PRO C C 508 176.539 176.539 176.520 0.019 18840 4290 1 13 . 1 1 508 508 PRO CA C 508 63.271 63.271 62.635 0.636 18840 4291 1 13 . 1 1 508 508 PRO CB C 508 32.117 32.117 32.618 -0.501 18840 4292 1 13 . 1 1 509 509 TYR N N 509 119.278 119.278 116.832 2.446 18840 4293 1 13 . 1 1 509 509 TYR HA H 509 4.486 4.486 4.633 -0.147 18840 4294 1 13 . 1 1 509 509 TYR C C 509 175.814 175.814 175.440 0.374 18840 4295 1 13 . 1 1 509 509 TYR CA C 509 57.945 57.945 57.695 0.250 18840 4296 1 13 . 1 1 509 509 TYR CB C 509 37.723 37.723 38.614 -0.891 18840 4297 1 13 . 1 1 509 509 TYR H H 509 8.218 8.218 8.491 -0.273 18840 4298 1 13 . 1 1 510 510 LEU N N 510 122.827 122.827 121.402 1.425 18840 4299 1 13 . 1 1 510 510 LEU HA H 510 4.254 4.254 4.250 0.004 18840 4300 1 13 . 1 1 510 510 LEU C C 510 176.689 176.689 176.679 0.010 18840 4301 1 13 . 1 1 510 510 LEU CA C 510 54.934 54.934 53.672 1.262 18840 4302 1 13 . 1 1 510 510 LEU CB C 510 42.647 42.647 42.787 -0.140 18840 4303 1 13 . 1 1 510 510 LEU H H 510 7.655 7.655 7.004 0.651 18840 4304 1 13 . 1 1 511 511 GLU N N 511 120.110 120.110 121.440 -1.330 18840 4305 1 13 . 1 1 511 511 GLU HA H 511 4.234 4.234 4.492 -0.258 18840 4306 1 13 . 1 1 511 511 GLU CA C 511 55.912 55.912 55.664 0.248 18840 4307 1 13 . 1 1 511 511 GLU CB C 511 31.398 31.398 31.561 -0.163 18840 4308 1 13 . 1 1 511 511 GLU H H 511 8.223 8.223 8.396 -0.173 18840 4309 1 13 . 1 1 512 512 ASP N N 512 120.430 120.430 122.791 -2.361 18840 4310 1 13 . 1 1 512 512 ASP HA H 512 4.439 4.439 4.661 -0.222 18840 4311 1 13 . 1 1 512 512 ASP C C 512 175.742 175.742 175.332 0.410 18840 4312 1 13 . 1 1 512 512 ASP CA C 512 54.405 54.405 53.255 1.151 18840 4313 1 13 . 1 1 512 512 ASP CB C 512 40.977 40.977 39.678 1.299 18840 4314 1 13 . 1 1 512 512 ASP H H 512 8.258 8.258 8.590 -0.332 18840 4315 1 13 . 1 1 513 513 SER N N 513 116.712 116.712 115.977 0.735 18840 4316 1 13 . 1 1 513 513 SER HA H 513 4.282 4.282 4.338 -0.056 18840 4317 1 13 . 1 1 513 513 SER C C 513 174.628 174.628 174.170 0.458 18840 4318 1 13 . 1 1 513 513 SER CA C 513 57.783 57.783 57.929 -0.146 18840 4319 1 13 . 1 1 513 513 SER CB C 513 64.481 64.481 63.554 0.927 18840 4320 1 13 . 1 1 513 513 SER H H 513 8.004 8.004 7.713 0.291 18840 4321 1 13 . 1 1 514 514 LEU N N 514 124.291 124.291 125.824 -1.533 18840 4322 1 13 . 1 1 514 514 LEU HA H 514 4.360 4.360 4.206 0.154 18840 4323 1 13 . 1 1 514 514 LEU C C 514 176.422 176.422 176.546 -0.124 18840 4324 1 13 . 1 1 514 514 LEU CA C 514 54.896 54.896 54.745 0.152 18840 4325 1 13 . 1 1 514 514 LEU CB C 514 43.711 43.711 42.743 0.968 18840 4326 1 13 . 1 1 514 514 LEU H H 514 8.248 8.248 8.378 -0.130 18840 4327 1 13 . 1 1 515 515 CYS N N 515 121.802 121.802 123.897 -2.095 18840 4328 1 13 . 1 1 515 515 CYS HA H 515 3.818 3.818 4.396 -0.578 18840 4329 1 13 . 1 1 515 515 CYS C C 515 177.418 177.418 176.197 1.221 18840 4330 1 13 . 1 1 515 515 CYS CA C 515 60.542 60.542 59.383 1.159 18840 4331 1 13 . 1 1 515 515 CYS CB C 515 31.859 31.859 27.759 4.100 18840 4332 1 13 . 1 1 515 515 CYS H H 515 8.418 8.418 8.416 0.002 18840 4333 1 13 . 1 1 516 516 HIS N N 516 129.671 129.671 126.987 2.684 18840 4334 1 13 . 1 1 516 516 HIS HA H 516 4.497 4.497 4.264 0.233 18840 4335 1 13 . 1 1 516 516 HIS C C 516 175.845 175.845 175.604 0.241 18840 4336 1 13 . 1 1 516 516 HIS CA C 516 58.672 58.672 58.930 -0.258 18840 4337 1 13 . 1 1 516 516 HIS CB C 516 31.910 31.910 29.951 1.959 18840 4338 1 13 . 1 1 516 516 HIS H H 516 9.149 9.149 8.275 0.874 18840 4339 1 13 . 1 1 517 517 ILE N N 517 121.766 121.766 117.234 4.532 18840 4340 1 13 . 1 1 517 517 ILE HA H 517 4.170 4.170 3.802 0.368 18840 4341 1 13 . 1 1 517 517 ILE C C 517 177.448 177.448 177.440 0.008 18840 4342 1 13 . 1 1 517 517 ILE CA C 517 61.900 61.900 62.431 -0.531 18840 4343 1 13 . 1 1 517 517 ILE CB C 517 35.256 35.256 37.519 -2.263 18840 4344 1 13 . 1 1 517 517 ILE H H 517 9.347 9.347 7.707 1.640 18840 4345 1 13 . 1 1 518 518 CYS N N 518 118.774 118.774 115.931 2.843 18840 4346 1 13 . 1 1 518 518 CYS HA H 518 4.772 4.772 4.369 0.403 18840 4347 1 13 . 1 1 518 518 CYS C C 518 176.883 176.883 175.991 0.892 18840 4348 1 13 . 1 1 518 518 CYS CA C 518 59.309 59.309 58.730 0.579 18840 4349 1 13 . 1 1 518 518 CYS CB C 518 31.994 31.994 28.284 3.710 18840 4350 1 13 . 1 1 518 518 CYS H H 518 8.564 8.564 8.201 0.363 18840 4351 1 13 . 1 1 519 519 SER N N 519 116.362 116.362 114.744 1.618 18840 4352 1 13 . 1 1 519 519 SER HA H 519 4.403 4.403 4.203 0.200 18840 4353 1 13 . 1 1 519 519 SER C C 519 174.258 174.258 173.967 0.291 18840 4354 1 13 . 1 1 519 519 SER CA C 519 60.236 60.236 59.539 0.697 18840 4355 1 13 . 1 1 519 519 SER CB C 519 62.727 62.727 61.671 1.056 18840 4356 1 13 . 1 1 519 519 SER H H 519 7.619 7.619 8.505 -0.886 18840 4357 1 13 . 1 1 520 520 SER N N 520 113.506 113.506 114.214 -0.708 18840 4358 1 13 . 1 1 520 520 SER HA H 520 4.832 4.832 4.548 0.284 18840 4359 1 13 . 1 1 520 520 SER C C 520 172.953 172.953 172.994 -0.041 18840 4360 1 13 . 1 1 520 520 SER CA C 520 58.849 58.849 59.031 -0.182 18840 4361 1 13 . 1 1 520 520 SER CB C 520 65.701 65.701 64.368 1.333 18840 4362 1 13 . 1 1 520 520 SER H H 520 8.328 8.328 8.125 0.203 18840 4363 1 13 . 1 1 521 521 GLN N N 521 118.652 118.652 117.790 0.862 18840 4364 1 13 . 1 1 521 521 GLN HA H 521 4.932 4.932 4.796 0.136 18840 4365 1 13 . 1 1 521 521 GLN CA C 521 52.845 52.845 53.384 -0.539 18840 4366 1 13 . 1 1 521 521 GLN CB C 521 30.606 30.606 29.303 1.303 18840 4367 1 13 . 1 1 521 521 GLN H H 521 7.416 7.416 7.773 -0.357 18840 4368 1 13 . 1 1 522 522 PRO HA H 522 4.415 4.415 4.868 -0.453 18840 4369 1 13 . 1 1 522 522 PRO C C 522 175.086 175.086 177.180 -2.094 18840 4370 1 13 . 1 1 522 522 PRO CA C 522 63.782 63.782 62.577 1.205 18840 4371 1 13 . 1 1 522 522 PRO CB C 522 32.536 32.536 32.234 0.302 18840 4372 1 13 . 1 1 523 523 GLY N N 523 110.217 110.217 110.591 -0.374 18840 4373 1 13 . 1 1 523 523 GLY CA C 523 46.095 46.095 42.893 3.202 18840 4374 1 13 . 1 1 523 523 GLY H H 523 8.909 8.909 8.107 0.802 18840 4375 1 13 . 1 1 524 524 PRO HA H 524 4.457 4.457 4.136 0.321 18840 4376 1 13 . 1 1 524 524 PRO C C 524 176.040 176.040 176.158 -0.118 18840 4377 1 13 . 1 1 524 524 PRO CA C 524 63.115 63.115 63.362 -0.247 18840 4378 1 13 . 1 1 524 524 PRO CB C 524 32.830 32.830 32.139 0.691 18840 4379 1 13 . 1 1 525 525 PHE N N 525 116.223 116.223 118.690 -2.467 18840 4380 1 13 . 1 1 525 525 PHE HA H 525 5.039 5.039 4.614 0.425 18840 4381 1 13 . 1 1 525 525 PHE C C 525 174.437 174.437 174.534 -0.097 18840 4382 1 13 . 1 1 525 525 PHE CA C 525 56.080 56.080 57.564 -1.484 18840 4383 1 13 . 1 1 525 525 PHE CB C 525 39.780 39.780 40.279 -0.499 18840 4384 1 13 . 1 1 525 525 PHE H H 525 8.148 8.148 7.613 0.535 18840 4385 1 13 . 1 1 526 526 PHE N N 526 125.861 125.861 123.814 2.047 18840 4386 1 13 . 1 1 526 526 PHE HA H 526 5.102 5.102 5.572 -0.470 18840 4387 1 13 . 1 1 526 526 PHE C C 526 175.221 175.221 174.231 0.990 18840 4388 1 13 . 1 1 526 526 PHE CA C 526 56.865 56.865 56.370 0.495 18840 4389 1 13 . 1 1 526 526 PHE CB C 526 41.661 41.661 42.154 -0.493 18840 4390 1 13 . 1 1 526 526 PHE H H 526 9.522 9.522 8.580 0.942 18840 4391 1 13 . 1 1 527 527 CYS N N 527 128.663 128.663 128.306 0.357 18840 4392 1 13 . 1 1 527 527 CYS HA H 527 4.931 4.931 5.112 -0.181 18840 4393 1 13 . 1 1 527 527 CYS C C 527 174.052 174.052 174.554 -0.502 18840 4394 1 13 . 1 1 527 527 CYS CA C 527 58.267 58.267 56.712 1.555 18840 4395 1 13 . 1 1 527 527 CYS CB C 527 31.075 31.075 29.448 1.627 18840 4396 1 13 . 1 1 527 527 CYS H H 527 7.723 7.723 8.357 -0.634 18840 4397 1 13 . 1 1 528 528 ARG N N 528 125.354 125.354 125.957 -0.603 18840 4398 1 13 . 1 1 528 528 ARG HA H 528 4.148 4.148 4.643 -0.495 18840 4399 1 13 . 1 1 528 528 ARG C C 528 175.406 175.406 176.268 -0.862 18840 4400 1 13 . 1 1 528 528 ARG CA C 528 55.971 55.971 55.080 0.891 18840 4401 1 13 . 1 1 528 528 ARG CB C 528 31.165 31.165 29.930 1.235 18840 4402 1 13 . 1 1 528 528 ARG H H 528 8.866 8.866 8.683 0.183 18840 4403 1 13 . 1 1 529 529 ASP N N 529 124.001 124.001 121.421 2.580 18840 4404 1 13 . 1 1 529 529 ASP HA H 529 4.203 4.203 4.510 -0.307 18840 4405 1 13 . 1 1 529 529 ASP C C 529 178.105 178.105 177.603 0.502 18840 4406 1 13 . 1 1 529 529 ASP CA C 529 56.288 56.288 54.039 2.249 18840 4407 1 13 . 1 1 529 529 ASP CB C 529 43.574 43.574 42.164 1.409 18840 4408 1 13 . 1 1 529 529 ASP H H 529 8.198 8.198 7.424 0.774 18840 4409 1 13 . 1 1 530 530 GLN N N 530 125.372 125.372 123.132 2.240 18840 4410 1 13 . 1 1 530 530 GLN HA H 530 3.894 3.894 3.992 -0.098 18840 4411 1 13 . 1 1 530 530 GLN C C 530 177.471 177.471 176.315 1.156 18840 4412 1 13 . 1 1 530 530 GLN CA C 530 59.159 59.159 58.117 1.042 18840 4413 1 13 . 1 1 530 530 GLN CB C 530 28.731 28.731 28.559 0.172 18840 4414 1 13 . 1 1 530 530 GLN H H 530 8.746 8.746 8.620 0.126 18840 4415 1 13 . 1 1 531 531 VAL N N 531 113.137 113.137 118.338 -5.201 18840 4416 1 13 . 1 1 531 531 VAL HA H 531 4.282 4.282 3.848 0.434 18840 4417 1 13 . 1 1 531 531 VAL C C 531 176.295 176.295 176.551 -0.256 18840 4418 1 13 . 1 1 531 531 VAL CA C 531 63.324 63.324 65.500 -2.176 18840 4419 1 13 . 1 1 531 531 VAL CB C 531 31.457 31.457 32.150 -0.693 18840 4420 1 13 . 1 1 531 531 VAL H H 531 8.659 8.659 8.845 -0.186 18840 4421 1 13 . 1 1 532 532 CYS N N 532 121.034 121.034 116.554 4.480 18840 4422 1 13 . 1 1 532 532 CYS HA H 532 4.568 4.568 4.623 -0.055 18840 4423 1 13 . 1 1 532 532 CYS C C 532 172.994 172.994 174.754 -1.760 18840 4424 1 13 . 1 1 532 532 CYS CA C 532 60.437 60.437 60.745 -0.308 18840 4425 1 13 . 1 1 532 532 CYS CB C 532 31.856 31.856 28.359 3.497 18840 4426 1 13 . 1 1 532 532 CYS H H 532 8.023 8.023 7.464 0.559 18840 4427 1 13 . 1 1 533 533 PHE N N 533 129.389 129.389 118.748 10.641 18840 4428 1 13 . 1 1 533 533 PHE HA H 533 4.197 4.197 4.052 0.145 18840 4429 1 13 . 1 1 533 533 PHE C C 533 174.830 174.830 174.054 0.776 18840 4430 1 13 . 1 1 533 533 PHE CA C 533 59.754 59.754 59.072 0.682 18840 4431 1 13 . 1 1 533 533 PHE CB C 533 38.260 38.260 37.298 0.962 18840 4432 1 13 . 1 1 533 533 PHE H H 533 7.928 7.928 8.294 -0.366 18840 4433 1 13 . 1 1 534 534 LYS N N 534 113.676 113.676 116.289 -2.613 18840 4434 1 13 . 1 1 534 534 LYS HA H 534 4.466 4.466 4.638 -0.172 18840 4435 1 13 . 1 1 534 534 LYS C C 534 173.055 173.055 174.531 -1.476 18840 4436 1 13 . 1 1 534 534 LYS CA C 534 54.068 54.068 54.110 -0.042 18840 4437 1 13 . 1 1 534 534 LYS CB C 534 37.800 37.800 36.827 0.973 18840 4438 1 13 . 1 1 534 534 LYS H H 534 6.430 6.430 7.487 -1.057 18840 4439 1 13 . 1 1 535 535 TYR N N 535 117.686 117.686 117.578 0.108 18840 4440 1 13 . 1 1 535 535 TYR HA H 535 5.165 5.165 5.514 -0.349 18840 4441 1 13 . 1 1 535 535 TYR C C 535 175.888 175.888 175.578 0.310 18840 4442 1 13 . 1 1 535 535 TYR CA C 535 58.593 58.593 56.143 2.450 18840 4443 1 13 . 1 1 535 535 TYR CB C 535 40.020 40.020 39.523 0.497 18840 4444 1 13 . 1 1 535 535 TYR H H 535 7.145 7.145 8.660 -1.515 18840 4445 1 13 . 1 1 536 536 PHE N N 536 117.497 117.497 117.378 0.119 18840 4446 1 13 . 1 1 536 536 PHE HA H 536 6.399 6.399 5.174 1.225 18840 4447 1 13 . 1 1 536 536 PHE C C 536 177.127 177.127 175.348 1.779 18840 4448 1 13 . 1 1 536 536 PHE CA C 536 57.056 57.056 56.900 0.156 18840 4449 1 13 . 1 1 536 536 PHE CB C 536 45.217 45.217 43.968 1.249 18840 4450 1 13 . 1 1 536 536 PHE H H 536 9.608 9.608 9.126 0.482 18840 4451 1 13 . 1 1 537 537 CYS N N 537 119.624 119.624 120.740 -1.116 18840 4452 1 13 . 1 1 537 537 CYS HA H 537 5.499 5.499 4.977 0.522 18840 4453 1 13 . 1 1 537 537 CYS C C 537 176.128 176.128 176.212 -0.084 18840 4454 1 13 . 1 1 537 537 CYS CA C 537 58.097 58.097 58.418 -0.321 18840 4455 1 13 . 1 1 537 537 CYS CB C 537 32.306 32.306 29.614 2.692 18840 4456 1 13 . 1 1 537 537 CYS H H 537 9.777 9.777 8.986 0.791 18840 4457 1 13 . 1 1 538 538 ARG N N 538 120.573 120.573 122.270 -1.697 18840 4458 1 13 . 1 1 538 538 ARG HA H 538 3.791 3.791 4.002 -0.211 18840 4459 1 13 . 1 1 538 538 ARG C C 538 178.403 178.403 178.163 0.240 18840 4460 1 13 . 1 1 538 538 ARG CA C 538 60.937 60.937 61.075 -0.138 18840 4461 1 13 . 1 1 538 538 ARG CB C 538 30.392 30.392 30.166 0.226 18840 4462 1 13 . 1 1 538 538 ARG H H 538 9.375 9.375 9.133 0.242 18840 4463 1 13 . 1 1 539 539 SER N N 539 114.562 114.562 113.718 0.844 18840 4464 1 13 . 1 1 539 539 SER HA H 539 4.491 4.491 4.374 0.117 18840 4465 1 13 . 1 1 539 539 SER C C 539 178.610 178.610 176.499 2.111 18840 4466 1 13 . 1 1 539 539 SER CA C 539 62.159 62.159 61.558 0.601 18840 4467 1 13 . 1 1 539 539 SER CB C 539 62.934 62.934 63.097 -0.163 18840 4468 1 13 . 1 1 539 539 SER H H 539 8.549 8.549 8.813 -0.264 18840 4469 1 13 . 1 1 540 540 CYS N N 540 126.990 126.990 121.245 5.745 18840 4470 1 13 . 1 1 540 540 CYS HA H 540 4.454 4.454 4.591 -0.137 18840 4471 1 13 . 1 1 540 540 CYS C C 540 178.546 178.546 176.982 1.564 18840 4472 1 13 . 1 1 540 540 CYS CA C 540 65.024 65.024 61.822 3.202 18840 4473 1 13 . 1 1 540 540 CYS CB C 540 30.747 30.747 26.450 4.297 18840 4474 1 13 . 1 1 540 540 CYS H H 540 9.534 9.534 8.395 1.139 18840 4475 1 13 . 1 1 541 541 TRP N N 541 121.037 121.037 122.191 -1.154 18840 4476 1 13 . 1 1 541 541 TRP HA H 541 3.319 3.319 4.177 -0.858 18840 4477 1 13 . 1 1 541 541 TRP C C 541 179.671 179.671 177.764 1.907 18840 4478 1 13 . 1 1 541 541 TRP CA C 541 62.783 62.783 60.913 1.870 18840 4479 1 13 . 1 1 541 541 TRP CB C 541 27.747 27.747 28.893 -1.146 18840 4480 1 13 . 1 1 541 541 TRP H H 541 9.632 9.632 8.951 0.681 18840 4481 1 13 . 1 1 542 542 HIS N N 542 119.251 119.251 120.558 -1.307 18840 4482 1 13 . 1 1 542 542 HIS HA H 542 4.330 4.330 4.274 0.056 18840 4483 1 13 . 1 1 542 542 HIS C C 542 177.291 177.291 177.391 -0.100 18840 4484 1 13 . 1 1 542 542 HIS CA C 542 59.909 59.909 60.985 -1.076 18840 4485 1 13 . 1 1 542 542 HIS CB C 542 30.594 30.594 30.233 0.361 18840 4486 1 13 . 1 1 542 542 HIS H H 542 8.073 8.073 8.167 -0.094 18840 4487 1 13 . 1 1 543 543 TRP N N 543 121.212 121.212 120.806 0.406 18840 4488 1 13 . 1 1 543 543 TRP HA H 543 4.231 4.231 4.238 -0.007 18840 4489 1 13 . 1 1 543 543 TRP C C 543 178.256 178.256 177.807 0.449 18840 4490 1 13 . 1 1 543 543 TRP CA C 543 60.959 60.959 61.419 -0.460 18840 4491 1 13 . 1 1 543 543 TRP CB C 543 28.593 28.593 29.515 -0.922 18840 4492 1 13 . 1 1 543 543 TRP H H 543 8.200 8.200 8.310 -0.110 18840 4493 1 13 . 1 1 544 544 ARG N N 544 118.044 118.044 117.918 0.126 18840 4494 1 13 . 1 1 544 544 ARG HA H 544 3.199 3.199 3.664 -0.465 18840 4495 1 13 . 1 1 544 544 ARG C C 544 176.093 176.093 178.634 -2.541 18840 4496 1 13 . 1 1 544 544 ARG CA C 544 57.149 57.149 58.263 -1.114 18840 4497 1 13 . 1 1 544 544 ARG CB C 544 29.942 29.942 29.503 0.439 18840 4498 1 13 . 1 1 544 544 ARG H H 544 8.194 8.194 8.127 0.067 18840 4499 1 13 . 1 1 545 545 HIS N N 545 109.049 109.049 115.714 -6.665 18840 4500 1 13 . 1 1 545 545 HIS HA H 545 3.781 3.781 4.182 -0.401 18840 4501 1 13 . 1 1 545 545 HIS C C 545 173.247 173.247 175.951 -2.704 18840 4502 1 13 . 1 1 545 545 HIS CA C 545 58.848 58.848 57.084 1.764 18840 4503 1 13 . 1 1 545 545 HIS CB C 545 25.314 25.314 29.235 -3.921 18840 4504 1 13 . 1 1 545 545 HIS H H 545 7.410 7.410 7.836 -0.426 18840 4505 1 13 . 1 1 546 546 SER N N 546 112.353 112.353 114.414 -2.061 18840 4506 1 13 . 1 1 546 546 SER HA H 546 4.336 4.336 3.996 0.340 18840 4507 1 13 . 1 1 546 546 SER C C 546 174.714 174.714 174.279 0.435 18840 4508 1 13 . 1 1 546 546 SER CA C 546 59.042 59.042 59.558 -0.516 18840 4509 1 13 . 1 1 546 546 SER CB C 546 63.464 63.464 62.895 0.569 18840 4510 1 13 . 1 1 546 546 SER H H 546 6.948 6.948 7.341 -0.393 18840 4511 1 13 . 1 1 547 547 MET N N 547 121.366 121.366 119.700 1.666 18840 4512 1 13 . 1 1 547 547 MET HA H 547 4.188 4.188 4.099 0.089 18840 4513 1 13 . 1 1 547 547 MET C C 547 175.421 175.421 175.713 -0.292 18840 4514 1 13 . 1 1 547 547 MET CA C 547 55.504 55.504 55.403 0.102 18840 4515 1 13 . 1 1 547 547 MET CB C 547 33.318 33.318 32.118 1.200 18840 4516 1 13 . 1 1 547 547 MET H H 547 6.821 6.821 6.895 -0.074 18840 4517 1 13 . 1 1 548 548 GLU N N 548 122.898 122.898 124.809 -1.911 18840 4518 1 13 . 1 1 548 548 GLU HA H 548 3.807 3.807 4.060 -0.253 18840 4519 1 13 . 1 1 548 548 GLU C C 548 176.918 176.918 177.329 -0.411 18840 4520 1 13 . 1 1 548 548 GLU CA C 548 58.746 58.746 58.195 0.551 18840 4521 1 13 . 1 1 548 548 GLU CB C 548 29.505 29.505 29.596 -0.091 18840 4522 1 13 . 1 1 548 548 GLU H H 548 8.515 8.515 8.422 0.093 18840 4523 1 13 . 1 1 549 549 GLY N N 549 112.898 112.898 109.499 3.399 18840 4524 1 13 . 1 1 549 549 GLY C C 549 174.645 174.645 174.875 -0.230 18840 4525 1 13 . 1 1 549 549 GLY CA C 549 45.411 45.411 45.127 0.284 18840 4526 1 13 . 1 1 549 549 GLY H H 549 8.950 8.950 8.732 0.218 18840 4527 1 13 . 1 1 550 550 LEU N N 550 118.164 118.164 119.177 -1.013 18840 4528 1 13 . 1 1 550 550 LEU HA H 550 3.928 3.928 4.462 -0.534 18840 4529 1 13 . 1 1 550 550 LEU C C 550 177.030 177.030 177.256 -0.226 18840 4530 1 13 . 1 1 550 550 LEU CA C 550 54.291 54.291 53.778 0.513 18840 4531 1 13 . 1 1 550 550 LEU CB C 550 42.968 42.968 41.488 1.480 18840 4532 1 13 . 1 1 550 550 LEU H H 550 7.702 7.702 7.339 0.363 18840 4533 1 13 . 1 1 551 551 ARG N N 551 115.914 115.914 119.506 -3.592 18840 4534 1 13 . 1 1 551 551 ARG HA H 551 4.405 4.405 4.106 0.299 18840 4535 1 13 . 1 1 551 551 ARG C C 551 177.206 177.206 177.079 0.127 18840 4536 1 13 . 1 1 551 551 ARG CA C 551 58.406 58.406 57.547 0.859 18840 4537 1 13 . 1 1 551 551 ARG CB C 551 30.360 30.360 29.040 1.320 18840 4538 1 13 . 1 1 551 551 ARG H H 551 7.299 7.299 8.298 -0.999 18840 4539 1 13 . 1 1 552 552 HIS N N 552 113.766 113.766 114.657 -0.891 18840 4540 1 13 . 1 1 552 552 HIS HA H 552 4.692 4.692 4.754 -0.062 18840 4541 1 13 . 1 1 552 552 HIS C C 552 175.959 175.959 174.730 1.229 18840 4542 1 13 . 1 1 552 552 HIS CA C 552 56.223 56.223 55.080 1.143 18840 4543 1 13 . 1 1 552 552 HIS CB C 552 30.228 30.228 29.182 1.046 18840 4544 1 13 . 1 1 552 552 HIS H H 552 8.480 8.480 8.179 0.301 18840 4545 1 13 . 1 1 553 553 HIS N N 553 122.502 122.502 120.668 1.834 18840 4546 1 13 . 1 1 553 553 HIS HA H 553 4.459 4.459 4.432 0.027 18840 4547 1 13 . 1 1 553 553 HIS C C 553 174.820 174.820 174.365 0.455 18840 4548 1 13 . 1 1 553 553 HIS CA C 553 55.553 55.553 56.119 -0.566 18840 4549 1 13 . 1 1 553 553 HIS CB C 553 31.320 31.320 30.610 0.710 18840 4550 1 13 . 1 1 553 553 HIS H H 553 6.954 6.954 7.395 -0.441 18840 4551 1 13 . 1 1 554 554 SER N N 554 117.586 117.586 116.310 1.276 18840 4552 1 13 . 1 1 554 554 SER HA H 554 5.128 5.128 4.923 0.205 18840 4553 1 13 . 1 1 554 554 SER CA C 554 55.199 55.199 55.386 -0.187 18840 4554 1 13 . 1 1 554 554 SER CB C 554 64.833 64.833 65.367 -0.534 18840 4555 1 13 . 1 1 554 554 SER H H 554 8.668 8.668 8.212 0.456 18840 4556 1 13 . 1 1 555 555 PRO HA H 555 4.296 4.296 5.067 -0.771 18840 4557 1 13 . 1 1 555 555 PRO C C 555 176.447 176.447 177.643 -1.196 18840 4558 1 13 . 1 1 555 555 PRO CA C 555 63.029 63.029 62.387 0.642 18840 4559 1 13 . 1 1 555 555 PRO CB C 555 31.779 31.779 32.303 -0.525 18840 4560 1 13 . 1 1 556 556 LEU N N 556 123.469 123.469 120.744 2.725 18840 4561 1 13 . 1 1 556 556 LEU HA H 556 4.788 4.788 4.577 0.211 18840 4562 1 13 . 1 1 556 556 LEU C C 556 176.176 176.176 176.944 -0.768 18840 4563 1 13 . 1 1 556 556 LEU CA C 556 54.247 54.247 55.865 -1.618 18840 4564 1 13 . 1 1 556 556 LEU CB C 556 44.237 44.237 42.565 1.672 18840 4565 1 13 . 1 1 556 556 LEU H H 556 8.802 8.802 8.027 0.775 18840 4566 1 13 . 1 1 557 557 MET N N 557 122.362 122.362 120.270 2.092 18840 4567 1 13 . 1 1 557 557 MET HA H 557 4.983 4.983 4.703 0.280 18840 4568 1 13 . 1 1 557 557 MET C C 557 175.983 175.983 175.343 0.640 18840 4569 1 13 . 1 1 557 557 MET CA C 557 54.641 54.641 54.566 0.076 18840 4570 1 13 . 1 1 557 557 MET CB C 557 34.181 34.181 35.631 -1.450 18840 4571 1 13 . 1 1 557 557 MET H H 557 8.624 8.624 8.070 0.554 18840 4572 1 13 . 1 1 558 558 ARG N N 558 123.450 123.450 123.706 -0.256 18840 4573 1 13 . 1 1 558 558 ARG HA H 558 4.302 4.302 4.381 -0.079 18840 4574 1 13 . 1 1 558 558 ARG CA C 558 56.545 56.545 56.098 0.447 18840 4575 1 13 . 1 1 558 558 ARG CB C 558 31.139 31.139 31.075 0.064 18840 4576 1 13 . 1 1 558 558 ARG H H 558 8.901 8.901 8.420 0.481 18840 4577 1 13 . 1 1 559 559 ASN HA H 559 4.642 4.642 4.739 -0.097 18840 4578 1 13 . 1 1 559 559 ASN CA C 559 53.286 53.286 53.032 0.254 18840 4579 1 13 . 1 1 559 559 ASN CB C 559 38.877 38.877 40.114 -1.237 18840 4580 1 13 . 1 1 560 560 GLN N N 560 121.173 121.173 123.142 -1.969 18840 4581 1 13 . 1 1 560 560 GLN HA H 560 4.308 4.308 4.206 0.102 18840 4582 1 13 . 1 1 560 560 GLN C C 560 175.883 175.883 175.606 0.277 18840 4583 1 13 . 1 1 560 560 GLN CA C 560 56.023 56.023 57.033 -1.010 18840 4584 1 13 . 1 1 560 560 GLN CB C 560 29.702 29.702 29.364 0.338 18840 4585 1 13 . 1 1 560 560 GLN H H 560 8.284 8.284 8.557 -0.273 18840 4586 1 13 . 1 1 561 561 LYS N N 561 122.223 122.223 116.200 6.023 18840 4587 1 13 . 1 1 561 561 LYS HA H 561 4.267 4.267 3.862 0.405 18840 4588 1 13 . 1 1 561 561 LYS C C 561 176.349 176.349 175.426 0.923 18840 4589 1 13 . 1 1 561 561 LYS CA C 561 56.659 56.659 56.836 -0.177 18840 4590 1 13 . 1 1 561 561 LYS CB C 561 32.966 32.966 30.484 2.482 18840 4591 1 13 . 1 1 561 561 LYS H H 561 8.350 8.350 8.610 -0.260 18840 4592 1 13 . 1 1 562 562 ASN N N 562 119.683 119.683 117.946 1.737 18840 4593 1 13 . 1 1 562 562 ASN HA H 562 4.681 4.681 4.560 0.121 18840 4594 1 13 . 1 1 562 562 ASN C C 562 175.298 175.298 176.090 -0.792 18840 4595 1 13 . 1 1 562 562 ASN CA C 562 53.375 53.375 54.192 -0.817 18840 4596 1 13 . 1 1 562 562 ASN CB C 562 38.920 38.920 39.700 -0.780 18840 4597 1 13 . 1 1 562 562 ASN H H 562 8.440 8.440 7.704 0.736 18840 4598 1 13 . 1 1 563 563 ARG N N 563 121.405 121.405 124.237 -2.832 18840 4599 1 13 . 1 1 563 563 ARG HA H 563 4.315 4.315 4.429 -0.114 18840 4600 1 13 . 1 1 563 563 ARG C C 563 176.088 176.088 175.625 0.463 18840 4601 1 13 . 1 1 563 563 ARG CA C 563 56.489 56.489 56.328 0.161 18840 4602 1 13 . 1 1 563 563 ARG CB C 563 30.775 30.775 31.018 -0.243 18840 4603 1 13 . 1 1 563 563 ARG H H 563 8.333 8.333 8.559 -0.226 18840 4604 1 13 . 1 1 564 564 ASP N N 564 121.203 121.203 120.163 1.040 18840 4605 1 13 . 1 1 564 564 ASP HA H 564 4.667 4.667 4.762 -0.095 18840 4606 1 13 . 1 1 564 564 ASP C C 564 176.148 176.148 175.747 0.401 18840 4607 1 13 . 1 1 564 564 ASP CA C 564 54.597 54.597 54.032 0.565 18840 4608 1 13 . 1 1 564 564 ASP CB C 564 41.249 41.249 41.972 -0.723 18840 4609 1 13 . 1 1 564 564 ASP H H 564 8.387 8.387 8.167 0.220 18840 4610 1 13 . 1 1 565 565 SER N N 565 116.058 116.058 117.337 -1.279 18840 4611 1 13 . 1 1 565 565 SER HA H 565 4.528 4.528 4.317 0.211 18840 4612 1 13 . 1 1 565 565 SER C C 565 173.755 173.755 175.000 -1.245 18840 4613 1 13 . 1 1 565 565 SER CA C 565 58.266 58.266 58.868 -0.602 18840 4614 1 13 . 1 1 565 565 SER CB C 565 64.077 64.077 63.579 0.498 18840 4615 1 13 . 1 1 565 565 SER H H 565 8.186 8.186 8.398 -0.212 18840 4616 1 14 . 1 1 503 503 PRO HA H 503 4.533 4.533 4.667 -0.134 18840 4617 1 14 . 1 1 503 503 PRO C C 503 176.777 176.777 176.619 0.158 18840 4618 1 14 . 1 1 503 503 PRO CA C 503 62.962 62.962 62.444 0.518 18840 4619 1 14 . 1 1 503 503 PRO CB C 503 32.403 32.403 32.502 -0.098 18840 4620 1 14 . 1 1 504 504 VAL N N 504 120.734 120.734 117.403 3.331 18840 4621 1 14 . 1 1 504 504 VAL HA H 504 4.102 4.102 4.296 -0.194 18840 4622 1 14 . 1 1 504 504 VAL C C 504 175.887 175.887 176.799 -0.912 18840 4623 1 14 . 1 1 504 504 VAL CA C 504 62.483 62.483 62.316 0.167 18840 4624 1 14 . 1 1 504 504 VAL CB C 504 32.864 32.864 32.610 0.254 18840 4625 1 14 . 1 1 504 504 VAL H H 504 8.290 8.290 8.040 0.250 18840 4626 1 14 . 1 1 505 505 GLN N N 505 125.069 125.069 123.211 1.858 18840 4627 1 14 . 1 1 505 505 GLN HA H 505 4.430 4.430 4.297 0.133 18840 4628 1 14 . 1 1 505 505 GLN C C 505 175.207 175.207 175.599 -0.392 18840 4629 1 14 . 1 1 505 505 GLN CA C 505 55.476 55.476 57.080 -1.604 18840 4630 1 14 . 1 1 505 505 GLN CB C 505 29.918 29.918 29.269 0.649 18840 4631 1 14 . 1 1 505 505 GLN H H 505 8.450 8.450 8.627 -0.177 18840 4632 1 14 . 1 1 506 506 ILE N N 506 123.121 123.121 121.290 1.831 18840 4633 1 14 . 1 1 506 506 ILE HA H 506 4.303 4.303 4.371 -0.068 18840 4634 1 14 . 1 1 506 506 ILE C C 506 175.607 175.607 174.517 1.090 18840 4635 1 14 . 1 1 506 506 ILE CA C 506 60.346 60.346 60.618 -0.272 18840 4636 1 14 . 1 1 506 506 ILE CB C 506 39.046 39.046 38.914 0.132 18840 4637 1 14 . 1 1 506 506 ILE H H 506 8.259 8.259 7.673 0.586 18840 4638 1 14 . 1 1 507 507 ASP N N 507 126.258 126.258 126.192 0.066 18840 4639 1 14 . 1 1 507 507 ASP HA H 507 4.909 4.909 4.895 0.014 18840 4640 1 14 . 1 1 507 507 ASP CA C 507 51.929 51.929 52.233 -0.304 18840 4641 1 14 . 1 1 507 507 ASP CB C 507 41.712 41.712 42.214 -0.502 18840 4642 1 14 . 1 1 507 507 ASP H H 507 8.419 8.419 8.411 0.008 18840 4643 1 14 . 1 1 508 508 PRO HA H 508 4.304 4.304 4.575 -0.271 18840 4644 1 14 . 1 1 508 508 PRO C C 508 176.539 176.539 176.551 -0.012 18840 4645 1 14 . 1 1 508 508 PRO CA C 508 63.271 63.271 62.642 0.629 18840 4646 1 14 . 1 1 508 508 PRO CB C 508 32.117 32.117 32.205 -0.088 18840 4647 1 14 . 1 1 509 509 TYR N N 509 119.278 119.278 118.291 0.987 18840 4648 1 14 . 1 1 509 509 TYR HA H 509 4.486 4.486 4.473 0.013 18840 4649 1 14 . 1 1 509 509 TYR C C 509 175.814 175.814 175.142 0.672 18840 4650 1 14 . 1 1 509 509 TYR CA C 509 57.945 57.945 57.202 0.743 18840 4651 1 14 . 1 1 509 509 TYR CB C 509 37.723 37.723 38.074 -0.351 18840 4652 1 14 . 1 1 509 509 TYR H H 509 8.218 8.218 8.028 0.190 18840 4653 1 14 . 1 1 510 510 LEU N N 510 122.827 122.827 122.408 0.419 18840 4654 1 14 . 1 1 510 510 LEU HA H 510 4.254 4.254 4.067 0.187 18840 4655 1 14 . 1 1 510 510 LEU C C 510 176.689 176.689 177.637 -0.948 18840 4656 1 14 . 1 1 510 510 LEU CA C 510 54.934 54.934 54.665 0.269 18840 4657 1 14 . 1 1 510 510 LEU CB C 510 42.647 42.647 41.061 1.586 18840 4658 1 14 . 1 1 510 510 LEU H H 510 7.655 7.655 7.229 0.426 18840 4659 1 14 . 1 1 511 511 GLU N N 511 120.110 120.110 126.033 -5.923 18840 4660 1 14 . 1 1 511 511 GLU HA H 511 4.234 4.234 4.243 -0.009 18840 4661 1 14 . 1 1 511 511 GLU CA C 511 55.912 55.912 57.545 -1.633 18840 4662 1 14 . 1 1 511 511 GLU CB C 511 31.398 31.398 30.483 0.915 18840 4663 1 14 . 1 1 511 511 GLU H H 511 8.223 8.223 8.740 -0.517 18840 4664 1 14 . 1 1 512 512 ASP N N 512 120.430 120.430 118.289 2.141 18840 4665 1 14 . 1 1 512 512 ASP HA H 512 4.439 4.439 4.806 -0.367 18840 4666 1 14 . 1 1 512 512 ASP C C 512 175.742 175.742 174.167 1.575 18840 4667 1 14 . 1 1 512 512 ASP CA C 512 54.405 54.405 54.292 0.113 18840 4668 1 14 . 1 1 512 512 ASP CB C 512 40.977 40.977 41.557 -0.580 18840 4669 1 14 . 1 1 512 512 ASP H H 512 8.258 8.258 7.954 0.304 18840 4670 1 14 . 1 1 513 513 SER N N 513 116.712 116.712 119.219 -2.507 18840 4671 1 14 . 1 1 513 513 SER HA H 513 4.282 4.282 4.412 -0.130 18840 4672 1 14 . 1 1 513 513 SER C C 513 174.628 174.628 173.295 1.333 18840 4673 1 14 . 1 1 513 513 SER CA C 513 57.783 57.783 57.340 0.443 18840 4674 1 14 . 1 1 513 513 SER CB C 513 64.481 64.481 64.330 0.151 18840 4675 1 14 . 1 1 513 513 SER H H 513 8.004 8.004 7.548 0.456 18840 4676 1 14 . 1 1 514 514 LEU N N 514 124.291 124.291 123.086 1.205 18840 4677 1 14 . 1 1 514 514 LEU HA H 514 4.360 4.360 4.252 0.108 18840 4678 1 14 . 1 1 514 514 LEU C C 514 176.422 176.422 175.957 0.465 18840 4679 1 14 . 1 1 514 514 LEU CA C 514 54.896 54.896 55.006 -0.110 18840 4680 1 14 . 1 1 514 514 LEU CB C 514 43.711 43.711 43.298 0.413 18840 4681 1 14 . 1 1 514 514 LEU H H 514 8.248 8.248 8.136 0.112 18840 4682 1 14 . 1 1 515 515 CYS N N 515 121.802 121.802 126.132 -4.330 18840 4683 1 14 . 1 1 515 515 CYS HA H 515 3.818 3.818 4.562 -0.744 18840 4684 1 14 . 1 1 515 515 CYS C C 515 177.418 177.418 175.757 1.661 18840 4685 1 14 . 1 1 515 515 CYS CA C 515 60.542 60.542 59.144 1.398 18840 4686 1 14 . 1 1 515 515 CYS CB C 515 31.859 31.859 27.222 4.637 18840 4687 1 14 . 1 1 515 515 CYS H H 515 8.418 8.418 8.295 0.123 18840 4688 1 14 . 1 1 516 516 HIS N N 516 129.671 129.671 127.496 2.175 18840 4689 1 14 . 1 1 516 516 HIS HA H 516 4.497 4.497 4.333 0.164 18840 4690 1 14 . 1 1 516 516 HIS C C 516 175.845 175.845 176.341 -0.496 18840 4691 1 14 . 1 1 516 516 HIS CA C 516 58.672 58.672 59.262 -0.590 18840 4692 1 14 . 1 1 516 516 HIS CB C 516 31.910 31.910 30.149 1.761 18840 4693 1 14 . 1 1 516 516 HIS H H 516 9.149 9.149 8.252 0.897 18840 4694 1 14 . 1 1 517 517 ILE N N 517 121.766 121.766 117.781 3.985 18840 4695 1 14 . 1 1 517 517 ILE HA H 517 4.170 4.170 3.939 0.231 18840 4696 1 14 . 1 1 517 517 ILE C C 517 177.448 177.448 178.155 -0.707 18840 4697 1 14 . 1 1 517 517 ILE CA C 517 61.900 61.900 63.169 -1.269 18840 4698 1 14 . 1 1 517 517 ILE CB C 517 35.256 35.256 37.267 -2.011 18840 4699 1 14 . 1 1 517 517 ILE H H 517 9.347 9.347 7.783 1.564 18840 4700 1 14 . 1 1 518 518 CYS N N 518 118.774 118.774 116.017 2.757 18840 4701 1 14 . 1 1 518 518 CYS HA H 518 4.772 4.772 4.448 0.324 18840 4702 1 14 . 1 1 518 518 CYS C C 518 176.883 176.883 175.271 1.612 18840 4703 1 14 . 1 1 518 518 CYS CA C 518 59.309 59.309 59.253 0.056 18840 4704 1 14 . 1 1 518 518 CYS CB C 518 31.994 31.994 27.544 4.450 18840 4705 1 14 . 1 1 518 518 CYS H H 518 8.564 8.564 8.212 0.352 18840 4706 1 14 . 1 1 519 519 SER N N 519 116.362 116.362 116.343 0.019 18840 4707 1 14 . 1 1 519 519 SER HA H 519 4.403 4.403 4.222 0.181 18840 4708 1 14 . 1 1 519 519 SER C C 519 174.258 174.258 174.020 0.238 18840 4709 1 14 . 1 1 519 519 SER CA C 519 60.236 60.236 59.832 0.404 18840 4710 1 14 . 1 1 519 519 SER CB C 519 62.727 62.727 61.470 1.257 18840 4711 1 14 . 1 1 519 519 SER H H 519 7.619 7.619 8.598 -0.979 18840 4712 1 14 . 1 1 520 520 SER N N 520 113.506 113.506 112.250 1.256 18840 4713 1 14 . 1 1 520 520 SER HA H 520 4.832 4.832 4.531 0.301 18840 4714 1 14 . 1 1 520 520 SER C C 520 172.953 172.953 173.830 -0.877 18840 4715 1 14 . 1 1 520 520 SER CA C 520 58.849 58.849 58.411 0.438 18840 4716 1 14 . 1 1 520 520 SER CB C 520 65.701 65.701 64.857 0.844 18840 4717 1 14 . 1 1 520 520 SER H H 520 8.328 8.328 7.848 0.480 18840 4718 1 14 . 1 1 521 521 GLN N N 521 118.652 118.652 120.881 -2.229 18840 4719 1 14 . 1 1 521 521 GLN HA H 521 4.932 4.932 4.823 0.109 18840 4720 1 14 . 1 1 521 521 GLN CA C 521 52.845 52.845 53.669 -0.823 18840 4721 1 14 . 1 1 521 521 GLN CB C 521 30.606 30.606 31.459 -0.853 18840 4722 1 14 . 1 1 521 521 GLN H H 521 7.416 7.416 7.918 -0.502 18840 4723 1 14 . 1 1 522 522 PRO HA H 522 4.415 4.415 4.763 -0.348 18840 4724 1 14 . 1 1 522 522 PRO C C 522 175.086 175.086 176.850 -1.764 18840 4725 1 14 . 1 1 522 522 PRO CA C 522 63.782 63.782 62.547 1.235 18840 4726 1 14 . 1 1 522 522 PRO CB C 522 32.536 32.536 32.313 0.223 18840 4727 1 14 . 1 1 523 523 GLY N N 523 110.217 110.217 110.757 -0.540 18840 4728 1 14 . 1 1 523 523 GLY CA C 523 46.095 46.095 42.973 3.122 18840 4729 1 14 . 1 1 523 523 GLY H H 523 8.909 8.909 8.046 0.863 18840 4730 1 14 . 1 1 524 524 PRO HA H 524 4.457 4.457 4.217 0.240 18840 4731 1 14 . 1 1 524 524 PRO C C 524 176.040 176.040 175.834 0.206 18840 4732 1 14 . 1 1 524 524 PRO CA C 524 63.115 63.115 63.321 -0.206 18840 4733 1 14 . 1 1 524 524 PRO CB C 524 32.830 32.830 32.145 0.685 18840 4734 1 14 . 1 1 525 525 PHE N N 525 116.223 116.223 118.894 -2.671 18840 4735 1 14 . 1 1 525 525 PHE HA H 525 5.039 5.039 4.622 0.417 18840 4736 1 14 . 1 1 525 525 PHE C C 525 174.437 174.437 174.305 0.132 18840 4737 1 14 . 1 1 525 525 PHE CA C 525 56.080 56.080 56.921 -0.841 18840 4738 1 14 . 1 1 525 525 PHE CB C 525 39.780 39.780 40.990 -1.210 18840 4739 1 14 . 1 1 525 525 PHE H H 525 8.148 8.148 7.558 0.590 18840 4740 1 14 . 1 1 526 526 PHE N N 526 125.861 125.861 123.284 2.577 18840 4741 1 14 . 1 1 526 526 PHE HA H 526 5.102 5.102 5.391 -0.289 18840 4742 1 14 . 1 1 526 526 PHE C C 526 175.221 175.221 174.107 1.114 18840 4743 1 14 . 1 1 526 526 PHE CA C 526 56.865 56.865 56.254 0.611 18840 4744 1 14 . 1 1 526 526 PHE CB C 526 41.661 41.661 41.938 -0.277 18840 4745 1 14 . 1 1 526 526 PHE H H 526 9.522 9.522 8.560 0.962 18840 4746 1 14 . 1 1 527 527 CYS N N 527 128.663 128.663 128.508 0.155 18840 4747 1 14 . 1 1 527 527 CYS HA H 527 4.931 4.931 5.055 -0.124 18840 4748 1 14 . 1 1 527 527 CYS C C 527 174.052 174.052 174.445 -0.393 18840 4749 1 14 . 1 1 527 527 CYS CA C 527 58.267 58.267 56.619 1.648 18840 4750 1 14 . 1 1 527 527 CYS CB C 527 31.075 31.075 29.171 1.904 18840 4751 1 14 . 1 1 527 527 CYS H H 527 7.723 7.723 8.354 -0.631 18840 4752 1 14 . 1 1 528 528 ARG N N 528 125.354 125.354 126.109 -0.755 18840 4753 1 14 . 1 1 528 528 ARG HA H 528 4.148 4.148 4.485 -0.337 18840 4754 1 14 . 1 1 528 528 ARG C C 528 175.406 175.406 176.261 -0.855 18840 4755 1 14 . 1 1 528 528 ARG CA C 528 55.971 55.971 54.879 1.092 18840 4756 1 14 . 1 1 528 528 ARG CB C 528 31.165 31.165 29.727 1.438 18840 4757 1 14 . 1 1 528 528 ARG H H 528 8.866 8.866 8.650 0.216 18840 4758 1 14 . 1 1 529 529 ASP N N 529 124.001 124.001 121.240 2.761 18840 4759 1 14 . 1 1 529 529 ASP HA H 529 4.203 4.203 4.488 -0.285 18840 4760 1 14 . 1 1 529 529 ASP C C 529 178.105 178.105 177.767 0.338 18840 4761 1 14 . 1 1 529 529 ASP CA C 529 56.288 56.288 53.872 2.416 18840 4762 1 14 . 1 1 529 529 ASP CB C 529 43.574 43.574 42.270 1.304 18840 4763 1 14 . 1 1 529 529 ASP H H 529 8.198 8.198 7.352 0.846 18840 4764 1 14 . 1 1 530 530 GLN N N 530 125.372 125.372 121.951 3.421 18840 4765 1 14 . 1 1 530 530 GLN HA H 530 3.894 3.894 4.015 -0.121 18840 4766 1 14 . 1 1 530 530 GLN C C 530 177.471 177.471 176.409 1.062 18840 4767 1 14 . 1 1 530 530 GLN CA C 530 59.159 59.159 58.057 1.102 18840 4768 1 14 . 1 1 530 530 GLN CB C 530 28.731 28.731 28.473 0.258 18840 4769 1 14 . 1 1 530 530 GLN H H 530 8.746 8.746 8.598 0.148 18840 4770 1 14 . 1 1 531 531 VAL N N 531 113.137 113.137 119.467 -6.330 18840 4771 1 14 . 1 1 531 531 VAL HA H 531 4.282 4.282 3.798 0.484 18840 4772 1 14 . 1 1 531 531 VAL C C 531 176.295 176.295 177.108 -0.813 18840 4773 1 14 . 1 1 531 531 VAL CA C 531 63.324 63.324 65.137 -1.813 18840 4774 1 14 . 1 1 531 531 VAL CB C 531 31.457 31.457 32.397 -0.940 18840 4775 1 14 . 1 1 531 531 VAL H H 531 8.659 8.659 9.028 -0.369 18840 4776 1 14 . 1 1 532 532 CYS N N 532 121.034 121.034 117.410 3.624 18840 4777 1 14 . 1 1 532 532 CYS HA H 532 4.568 4.568 4.722 -0.154 18840 4778 1 14 . 1 1 532 532 CYS C C 532 172.994 172.994 175.261 -2.267 18840 4779 1 14 . 1 1 532 532 CYS CA C 532 60.437 60.437 59.377 1.060 18840 4780 1 14 . 1 1 532 532 CYS CB C 532 31.856 31.856 28.882 2.974 18840 4781 1 14 . 1 1 532 532 CYS H H 532 8.023 8.023 7.413 0.610 18840 4782 1 14 . 1 1 533 533 PHE N N 533 129.389 129.389 120.961 8.428 18840 4783 1 14 . 1 1 533 533 PHE HA H 533 4.197 4.197 4.136 0.061 18840 4784 1 14 . 1 1 533 533 PHE C C 533 174.830 174.830 173.715 1.115 18840 4785 1 14 . 1 1 533 533 PHE CA C 533 59.754 59.754 58.898 0.856 18840 4786 1 14 . 1 1 533 533 PHE CB C 533 38.260 38.260 37.039 1.221 18840 4787 1 14 . 1 1 533 533 PHE H H 533 7.928 7.928 8.204 -0.276 18840 4788 1 14 . 1 1 534 534 LYS N N 534 113.676 113.676 115.987 -2.311 18840 4789 1 14 . 1 1 534 534 LYS HA H 534 4.466 4.466 4.760 -0.294 18840 4790 1 14 . 1 1 534 534 LYS C C 534 173.055 173.055 174.196 -1.141 18840 4791 1 14 . 1 1 534 534 LYS CA C 534 54.068 54.068 53.812 0.256 18840 4792 1 14 . 1 1 534 534 LYS CB C 534 37.800 37.800 36.426 1.374 18840 4793 1 14 . 1 1 534 534 LYS H H 534 6.430 6.430 7.441 -1.011 18840 4794 1 14 . 1 1 535 535 TYR N N 535 117.686 117.686 117.822 -0.136 18840 4795 1 14 . 1 1 535 535 TYR HA H 535 5.165 5.165 5.375 -0.210 18840 4796 1 14 . 1 1 535 535 TYR C C 535 175.888 175.888 175.307 0.581 18840 4797 1 14 . 1 1 535 535 TYR CA C 535 58.593 58.593 57.011 1.582 18840 4798 1 14 . 1 1 535 535 TYR CB C 535 40.020 40.020 39.754 0.266 18840 4799 1 14 . 1 1 535 535 TYR H H 535 7.145 7.145 8.781 -1.636 18840 4800 1 14 . 1 1 536 536 PHE N N 536 117.497 117.497 117.732 -0.235 18840 4801 1 14 . 1 1 536 536 PHE HA H 536 6.399 6.399 5.152 1.247 18840 4802 1 14 . 1 1 536 536 PHE C C 536 177.127 177.127 175.422 1.705 18840 4803 1 14 . 1 1 536 536 PHE CA C 536 57.056 57.056 56.818 0.238 18840 4804 1 14 . 1 1 536 536 PHE CB C 536 45.217 45.217 43.747 1.470 18840 4805 1 14 . 1 1 536 536 PHE H H 536 9.608 9.608 9.073 0.535 18840 4806 1 14 . 1 1 537 537 CYS N N 537 119.624 119.624 121.275 -1.651 18840 4807 1 14 . 1 1 537 537 CYS HA H 537 5.499 5.499 4.902 0.597 18840 4808 1 14 . 1 1 537 537 CYS C C 537 176.128 176.128 176.229 -0.101 18840 4809 1 14 . 1 1 537 537 CYS CA C 537 58.097 58.097 58.827 -0.730 18840 4810 1 14 . 1 1 537 537 CYS CB C 537 32.306 32.306 29.239 3.067 18840 4811 1 14 . 1 1 537 537 CYS H H 537 9.777 9.777 9.044 0.733 18840 4812 1 14 . 1 1 538 538 ARG N N 538 120.573 120.573 123.230 -2.657 18840 4813 1 14 . 1 1 538 538 ARG HA H 538 3.791 3.791 4.165 -0.374 18840 4814 1 14 . 1 1 538 538 ARG C C 538 178.403 178.403 178.131 0.272 18840 4815 1 14 . 1 1 538 538 ARG CA C 538 60.937 60.937 61.035 -0.098 18840 4816 1 14 . 1 1 538 538 ARG CB C 538 30.392 30.392 30.516 -0.124 18840 4817 1 14 . 1 1 538 538 ARG H H 538 9.375 9.375 9.225 0.150 18840 4818 1 14 . 1 1 539 539 SER N N 539 114.562 114.562 113.737 0.825 18840 4819 1 14 . 1 1 539 539 SER HA H 539 4.491 4.491 4.408 0.083 18840 4820 1 14 . 1 1 539 539 SER C C 539 178.610 178.610 176.343 2.267 18840 4821 1 14 . 1 1 539 539 SER CA C 539 62.159 62.159 61.999 0.160 18840 4822 1 14 . 1 1 539 539 SER CB C 539 62.934 62.934 62.897 0.037 18840 4823 1 14 . 1 1 539 539 SER H H 539 8.549 8.549 8.982 -0.433 18840 4824 1 14 . 1 1 540 540 CYS N N 540 126.990 126.990 121.168 5.822 18840 4825 1 14 . 1 1 540 540 CYS HA H 540 4.454 4.454 4.669 -0.215 18840 4826 1 14 . 1 1 540 540 CYS C C 540 178.546 178.546 177.021 1.525 18840 4827 1 14 . 1 1 540 540 CYS CA C 540 65.024 65.024 61.796 3.228 18840 4828 1 14 . 1 1 540 540 CYS CB C 540 30.747 30.747 26.839 3.908 18840 4829 1 14 . 1 1 540 540 CYS H H 540 9.534 9.534 8.369 1.165 18840 4830 1 14 . 1 1 541 541 TRP N N 541 121.037 121.037 122.334 -1.297 18840 4831 1 14 . 1 1 541 541 TRP HA H 541 3.319 3.319 4.174 -0.855 18840 4832 1 14 . 1 1 541 541 TRP C C 541 179.671 179.671 177.679 1.992 18840 4833 1 14 . 1 1 541 541 TRP CA C 541 62.783 62.783 60.861 1.922 18840 4834 1 14 . 1 1 541 541 TRP CB C 541 27.747 27.747 28.966 -1.219 18840 4835 1 14 . 1 1 541 541 TRP H H 541 9.632 9.632 8.993 0.639 18840 4836 1 14 . 1 1 542 542 HIS N N 542 119.251 119.251 119.793 -0.542 18840 4837 1 14 . 1 1 542 542 HIS HA H 542 4.330 4.330 4.279 0.051 18840 4838 1 14 . 1 1 542 542 HIS C C 542 177.291 177.291 176.203 1.088 18840 4839 1 14 . 1 1 542 542 HIS CA C 542 59.909 59.909 60.425 -0.516 18840 4840 1 14 . 1 1 542 542 HIS CB C 542 30.594 30.594 30.188 0.406 18840 4841 1 14 . 1 1 542 542 HIS H H 542 8.073 8.073 8.026 0.047 18840 4842 1 14 . 1 1 543 543 TRP N N 543 121.212 121.212 119.704 1.508 18840 4843 1 14 . 1 1 543 543 TRP HA H 543 4.231 4.231 4.329 -0.098 18840 4844 1 14 . 1 1 543 543 TRP C C 543 178.256 178.256 178.515 -0.259 18840 4845 1 14 . 1 1 543 543 TRP CA C 543 60.959 60.959 59.641 1.318 18840 4846 1 14 . 1 1 543 543 TRP CB C 543 28.593 28.593 29.977 -1.384 18840 4847 1 14 . 1 1 543 543 TRP H H 543 8.200 8.200 8.055 0.145 18840 4848 1 14 . 1 1 544 544 ARG N N 544 118.044 118.044 120.229 -2.185 18840 4849 1 14 . 1 1 544 544 ARG HA H 544 3.199 3.199 3.683 -0.484 18840 4850 1 14 . 1 1 544 544 ARG C C 544 176.093 176.093 177.669 -1.576 18840 4851 1 14 . 1 1 544 544 ARG CA C 544 57.149 57.149 58.112 -0.964 18840 4852 1 14 . 1 1 544 544 ARG CB C 544 29.942 29.942 29.141 0.801 18840 4853 1 14 . 1 1 544 544 ARG H H 544 8.194 8.194 8.127 0.067 18840 4854 1 14 . 1 1 545 545 HIS N N 545 109.049 109.049 115.394 -6.345 18840 4855 1 14 . 1 1 545 545 HIS HA H 545 3.781 3.781 4.342 -0.561 18840 4856 1 14 . 1 1 545 545 HIS C C 545 173.247 173.247 175.409 -2.162 18840 4857 1 14 . 1 1 545 545 HIS CA C 545 58.848 58.848 55.909 2.939 18840 4858 1 14 . 1 1 545 545 HIS CB C 545 25.314 25.314 28.766 -3.452 18840 4859 1 14 . 1 1 545 545 HIS H H 545 7.410 7.410 7.632 -0.222 18840 4860 1 14 . 1 1 546 546 SER N N 546 112.353 112.353 115.334 -2.981 18840 4861 1 14 . 1 1 546 546 SER HA H 546 4.336 4.336 3.985 0.351 18840 4862 1 14 . 1 1 546 546 SER C C 546 174.714 174.714 174.425 0.289 18840 4863 1 14 . 1 1 546 546 SER CA C 546 59.042 59.042 59.554 -0.512 18840 4864 1 14 . 1 1 546 546 SER CB C 546 63.464 63.464 62.904 0.560 18840 4865 1 14 . 1 1 546 546 SER H H 546 6.948 6.948 7.191 -0.243 18840 4866 1 14 . 1 1 547 547 MET N N 547 121.366 121.366 121.223 0.143 18840 4867 1 14 . 1 1 547 547 MET HA H 547 4.188 4.188 4.169 0.019 18840 4868 1 14 . 1 1 547 547 MET C C 547 175.421 175.421 175.998 -0.577 18840 4869 1 14 . 1 1 547 547 MET CA C 547 55.504 55.504 55.847 -0.343 18840 4870 1 14 . 1 1 547 547 MET CB C 547 33.318 33.318 32.970 0.348 18840 4871 1 14 . 1 1 547 547 MET H H 547 6.821 6.821 7.393 -0.572 18840 4872 1 14 . 1 1 548 548 GLU N N 548 122.898 122.898 122.537 0.361 18840 4873 1 14 . 1 1 548 548 GLU HA H 548 3.807 3.807 4.202 -0.395 18840 4874 1 14 . 1 1 548 548 GLU C C 548 176.918 176.918 177.601 -0.683 18840 4875 1 14 . 1 1 548 548 GLU CA C 548 58.746 58.746 57.653 1.093 18840 4876 1 14 . 1 1 548 548 GLU CB C 548 29.505 29.505 30.053 -0.548 18840 4877 1 14 . 1 1 548 548 GLU H H 548 8.515 8.515 8.491 0.024 18840 4878 1 14 . 1 1 549 549 GLY N N 549 112.898 112.898 108.393 4.505 18840 4879 1 14 . 1 1 549 549 GLY C C 549 174.645 174.645 174.833 -0.188 18840 4880 1 14 . 1 1 549 549 GLY CA C 549 45.411 45.411 45.219 0.191 18840 4881 1 14 . 1 1 549 549 GLY H H 549 8.950 8.950 8.707 0.243 18840 4882 1 14 . 1 1 550 550 LEU N N 550 118.164 118.164 119.281 -1.117 18840 4883 1 14 . 1 1 550 550 LEU HA H 550 3.928 3.928 4.414 -0.486 18840 4884 1 14 . 1 1 550 550 LEU C C 550 177.030 177.030 177.435 -0.405 18840 4885 1 14 . 1 1 550 550 LEU CA C 550 54.291 54.291 53.660 0.631 18840 4886 1 14 . 1 1 550 550 LEU CB C 550 42.968 42.968 41.263 1.705 18840 4887 1 14 . 1 1 550 550 LEU H H 550 7.702 7.702 7.349 0.353 18840 4888 1 14 . 1 1 551 551 ARG N N 551 115.914 115.914 120.022 -4.108 18840 4889 1 14 . 1 1 551 551 ARG HA H 551 4.405 4.405 4.046 0.359 18840 4890 1 14 . 1 1 551 551 ARG C C 551 177.206 177.206 176.997 0.209 18840 4891 1 14 . 1 1 551 551 ARG CA C 551 58.406 58.406 58.175 0.231 18840 4892 1 14 . 1 1 551 551 ARG CB C 551 30.360 30.360 29.515 0.845 18840 4893 1 14 . 1 1 551 551 ARG H H 551 7.299 7.299 8.386 -1.087 18840 4894 1 14 . 1 1 552 552 HIS N N 552 113.766 113.766 113.898 -0.132 18840 4895 1 14 . 1 1 552 552 HIS HA H 552 4.692 4.692 4.680 0.012 18840 4896 1 14 . 1 1 552 552 HIS C C 552 175.959 175.959 174.237 1.722 18840 4897 1 14 . 1 1 552 552 HIS CA C 552 56.223 56.223 55.167 1.056 18840 4898 1 14 . 1 1 552 552 HIS CB C 552 30.228 30.228 29.112 1.116 18840 4899 1 14 . 1 1 552 552 HIS H H 552 8.480 8.480 8.209 0.271 18840 4900 1 14 . 1 1 553 553 HIS N N 553 122.502 122.502 120.982 1.520 18840 4901 1 14 . 1 1 553 553 HIS HA H 553 4.459 4.459 4.456 0.003 18840 4902 1 14 . 1 1 553 553 HIS C C 553 174.820 174.820 174.217 0.603 18840 4903 1 14 . 1 1 553 553 HIS CA C 553 55.553 55.553 56.479 -0.926 18840 4904 1 14 . 1 1 553 553 HIS CB C 553 31.320 31.320 30.563 0.757 18840 4905 1 14 . 1 1 553 553 HIS H H 553 6.954 6.954 7.337 -0.383 18840 4906 1 14 . 1 1 554 554 SER N N 554 117.586 117.586 117.287 0.299 18840 4907 1 14 . 1 1 554 554 SER HA H 554 5.128 5.128 4.866 0.262 18840 4908 1 14 . 1 1 554 554 SER CA C 554 55.199 55.199 55.289 -0.090 18840 4909 1 14 . 1 1 554 554 SER CB C 554 64.833 64.833 65.960 -1.127 18840 4910 1 14 . 1 1 554 554 SER H H 554 8.668 8.668 8.349 0.319 18840 4911 1 14 . 1 1 555 555 PRO HA H 555 4.296 4.296 4.950 -0.654 18840 4912 1 14 . 1 1 555 555 PRO C C 555 176.447 176.447 177.158 -0.711 18840 4913 1 14 . 1 1 555 555 PRO CA C 555 63.029 63.029 62.216 0.813 18840 4914 1 14 . 1 1 555 555 PRO CB C 555 31.779 31.779 31.922 -0.143 18840 4915 1 14 . 1 1 556 556 LEU N N 556 123.469 123.469 116.935 6.534 18840 4916 1 14 . 1 1 556 556 LEU HA H 556 4.788 4.788 4.630 0.158 18840 4917 1 14 . 1 1 556 556 LEU C C 556 176.176 176.176 176.968 -0.792 18840 4918 1 14 . 1 1 556 556 LEU CA C 556 54.247 54.247 54.009 0.238 18840 4919 1 14 . 1 1 556 556 LEU CB C 556 44.237 44.237 40.774 3.463 18840 4920 1 14 . 1 1 556 556 LEU H H 556 8.802 8.802 8.240 0.562 18840 4921 1 14 . 1 1 557 557 MET N N 557 122.362 122.362 121.856 0.506 18840 4922 1 14 . 1 1 557 557 MET HA H 557 4.983 4.983 4.521 0.462 18840 4923 1 14 . 1 1 557 557 MET C C 557 175.983 175.983 176.085 -0.102 18840 4924 1 14 . 1 1 557 557 MET CA C 557 54.641 54.641 54.996 -0.355 18840 4925 1 14 . 1 1 557 557 MET CB C 557 34.181 34.181 33.283 0.898 18840 4926 1 14 . 1 1 557 557 MET H H 557 8.624 8.624 7.648 0.976 18840 4927 1 14 . 1 1 558 558 ARG N N 558 123.450 123.450 127.661 -4.211 18840 4928 1 14 . 1 1 558 558 ARG HA H 558 4.302 4.302 4.473 -0.171 18840 4929 1 14 . 1 1 558 558 ARG CA C 558 56.545 56.545 55.761 0.784 18840 4930 1 14 . 1 1 558 558 ARG CB C 558 31.139 31.139 29.963 1.176 18840 4931 1 14 . 1 1 558 558 ARG H H 558 8.901 8.901 8.607 0.294 18840 4932 1 14 . 1 1 559 559 ASN HA H 559 4.642 4.642 4.443 0.199 18840 4933 1 14 . 1 1 559 559 ASN CA C 559 53.286 53.286 54.477 -1.191 18840 4934 1 14 . 1 1 559 559 ASN CB C 559 38.877 38.877 38.868 0.009 18840 4935 1 14 . 1 1 560 560 GLN N N 560 121.173 121.173 117.928 3.245 18840 4936 1 14 . 1 1 560 560 GLN HA H 560 4.308 4.308 4.403 -0.095 18840 4937 1 14 . 1 1 560 560 GLN C C 560 175.883 175.883 175.014 0.869 18840 4938 1 14 . 1 1 560 560 GLN CA C 560 56.023 56.023 55.907 0.116 18840 4939 1 14 . 1 1 560 560 GLN CB C 560 29.702 29.702 29.933 -0.231 18840 4940 1 14 . 1 1 560 560 GLN H H 560 8.284 8.284 8.541 -0.257 18840 4941 1 14 . 1 1 561 561 LYS N N 561 122.223 122.223 122.424 -0.201 18840 4942 1 14 . 1 1 561 561 LYS HA H 561 4.267 4.267 4.278 -0.011 18840 4943 1 14 . 1 1 561 561 LYS C C 561 176.349 176.349 176.191 0.158 18840 4944 1 14 . 1 1 561 561 LYS CA C 561 56.659 56.659 56.036 0.623 18840 4945 1 14 . 1 1 561 561 LYS CB C 561 32.966 32.966 32.931 0.035 18840 4946 1 14 . 1 1 561 561 LYS H H 561 8.350 8.350 8.151 0.199 18840 4947 1 14 . 1 1 562 562 ASN N N 562 119.683 119.683 119.418 0.265 18840 4948 1 14 . 1 1 562 562 ASN HA H 562 4.681 4.681 4.548 0.133 18840 4949 1 14 . 1 1 562 562 ASN C C 562 175.298 175.298 175.730 -0.432 18840 4950 1 14 . 1 1 562 562 ASN CA C 562 53.375 53.375 53.725 -0.350 18840 4951 1 14 . 1 1 562 562 ASN CB C 562 38.920 38.920 38.602 0.318 18840 4952 1 14 . 1 1 562 562 ASN H H 562 8.440 8.440 8.373 0.067 18840 4953 1 14 . 1 1 563 563 ARG N N 563 121.405 121.405 121.219 0.186 18840 4954 1 14 . 1 1 563 563 ARG HA H 563 4.315 4.315 4.046 0.269 18840 4955 1 14 . 1 1 563 563 ARG C C 563 176.088 176.088 176.333 -0.245 18840 4956 1 14 . 1 1 563 563 ARG CA C 563 56.489 56.489 56.951 -0.462 18840 4957 1 14 . 1 1 563 563 ARG CB C 563 30.775 30.775 28.078 2.696 18840 4958 1 14 . 1 1 563 563 ARG H H 563 8.333 8.333 8.687 -0.354 18840 4959 1 14 . 1 1 564 564 ASP N N 564 121.203 121.203 119.556 1.647 18840 4960 1 14 . 1 1 564 564 ASP HA H 564 4.667 4.667 4.421 0.246 18840 4961 1 14 . 1 1 564 564 ASP C C 564 176.148 176.148 176.895 -0.747 18840 4962 1 14 . 1 1 564 564 ASP CA C 564 54.597 54.597 55.825 -1.228 18840 4963 1 14 . 1 1 564 564 ASP CB C 564 41.249 41.249 40.662 0.587 18840 4964 1 14 . 1 1 564 564 ASP H H 564 8.387 8.387 8.852 -0.465 18840 4965 1 14 . 1 1 565 565 SER N N 565 116.058 116.058 114.207 1.851 18840 4966 1 14 . 1 1 565 565 SER HA H 565 4.528 4.528 4.426 0.102 18840 4967 1 14 . 1 1 565 565 SER C C 565 173.755 173.755 175.145 -1.390 18840 4968 1 14 . 1 1 565 565 SER CA C 565 58.266 58.266 58.174 0.092 18840 4969 1 14 . 1 1 565 565 SER CB C 565 64.077 64.077 63.179 0.898 18840 4970 1 14 . 1 1 565 565 SER H H 565 8.186 8.186 7.999 0.187 18840 4971 1 15 . 1 1 503 503 PRO HA H 503 4.533 4.533 4.624 -0.091 18840 4972 1 15 . 1 1 503 503 PRO C C 503 176.777 176.777 176.456 0.321 18840 4973 1 15 . 1 1 503 503 PRO CA C 503 62.962 62.962 62.445 0.517 18840 4974 1 15 . 1 1 503 503 PRO CB C 503 32.403 32.403 32.605 -0.202 18840 4975 1 15 . 1 1 504 504 VAL N N 504 120.734 120.734 119.805 0.929 18840 4976 1 15 . 1 1 504 504 VAL HA H 504 4.102 4.102 4.143 -0.041 18840 4977 1 15 . 1 1 504 504 VAL C C 504 175.887 175.887 175.591 0.296 18840 4978 1 15 . 1 1 504 504 VAL CA C 504 62.483 62.483 63.374 -0.891 18840 4979 1 15 . 1 1 504 504 VAL CB C 504 32.864 32.864 32.582 0.282 18840 4980 1 15 . 1 1 504 504 VAL H H 504 8.290 8.290 8.133 0.157 18840 4981 1 15 . 1 1 505 505 GLN N N 505 125.069 125.069 126.403 -1.334 18840 4982 1 15 . 1 1 505 505 GLN HA H 505 4.430 4.430 4.495 -0.065 18840 4983 1 15 . 1 1 505 505 GLN C C 505 175.207 175.207 175.050 0.157 18840 4984 1 15 . 1 1 505 505 GLN CA C 505 55.476 55.476 55.840 -0.364 18840 4985 1 15 . 1 1 505 505 GLN CB C 505 29.918 29.918 30.020 -0.102 18840 4986 1 15 . 1 1 505 505 GLN H H 505 8.450 8.450 8.096 0.354 18840 4987 1 15 . 1 1 506 506 ILE N N 506 123.121 123.121 120.683 2.438 18840 4988 1 15 . 1 1 506 506 ILE HA H 506 4.303 4.303 4.352 -0.049 18840 4989 1 15 . 1 1 506 506 ILE C C 506 175.607 175.607 175.280 0.327 18840 4990 1 15 . 1 1 506 506 ILE CA C 506 60.346 60.346 61.641 -1.295 18840 4991 1 15 . 1 1 506 506 ILE CB C 506 39.046 39.046 38.478 0.568 18840 4992 1 15 . 1 1 506 506 ILE H H 506 8.259 8.259 8.560 -0.301 18840 4993 1 15 . 1 1 507 507 ASP N N 507 126.258 126.258 120.598 5.660 18840 4994 1 15 . 1 1 507 507 ASP HA H 507 4.909 4.909 4.837 0.072 18840 4995 1 15 . 1 1 507 507 ASP CA C 507 51.929 51.929 51.907 0.022 18840 4996 1 15 . 1 1 507 507 ASP CB C 507 41.712 41.712 43.249 -1.537 18840 4997 1 15 . 1 1 507 507 ASP H H 507 8.419 8.419 7.789 0.630 18840 4998 1 15 . 1 1 508 508 PRO HA H 508 4.304 4.304 4.524 -0.220 18840 4999 1 15 . 1 1 508 508 PRO C C 508 176.539 176.539 176.634 -0.095 18840 5000 1 15 . 1 1 508 508 PRO CA C 508 63.271 63.271 62.801 0.470 18840 5001 1 15 . 1 1 508 508 PRO CB C 508 32.117 32.117 32.411 -0.294 18840 5002 1 15 . 1 1 509 509 TYR N N 509 119.278 119.278 122.134 -2.856 18840 5003 1 15 . 1 1 509 509 TYR HA H 509 4.486 4.486 4.365 0.121 18840 5004 1 15 . 1 1 509 509 TYR C C 509 175.814 175.814 175.938 -0.124 18840 5005 1 15 . 1 1 509 509 TYR CA C 509 57.945 57.945 57.609 0.336 18840 5006 1 15 . 1 1 509 509 TYR CB C 509 37.723 37.723 38.127 -0.404 18840 5007 1 15 . 1 1 509 509 TYR H H 509 8.218 8.218 8.084 0.134 18840 5008 1 15 . 1 1 510 510 LEU N N 510 122.827 122.827 119.243 3.584 18840 5009 1 15 . 1 1 510 510 LEU HA H 510 4.254 4.254 3.661 0.593 18840 5010 1 15 . 1 1 510 510 LEU C C 510 176.689 176.689 176.401 0.288 18840 5011 1 15 . 1 1 510 510 LEU CA C 510 54.934 54.934 55.828 -0.894 18840 5012 1 15 . 1 1 510 510 LEU CB C 510 42.647 42.647 41.369 1.278 18840 5013 1 15 . 1 1 510 510 LEU H H 510 7.655 7.655 7.304 0.351 18840 5014 1 15 . 1 1 511 511 GLU N N 511 120.110 120.110 116.578 3.532 18840 5015 1 15 . 1 1 511 511 GLU HA H 511 4.234 4.234 4.631 -0.397 18840 5016 1 15 . 1 1 511 511 GLU CA C 511 55.912 55.912 55.084 0.828 18840 5017 1 15 . 1 1 511 511 GLU CB C 511 31.398 31.398 32.213 -0.815 18840 5018 1 15 . 1 1 511 511 GLU H H 511 8.223 8.223 8.516 -0.293 18840 5019 1 15 . 1 1 512 512 ASP N N 512 120.430 120.430 122.203 -1.773 18840 5020 1 15 . 1 1 512 512 ASP HA H 512 4.439 4.439 4.921 -0.482 18840 5021 1 15 . 1 1 512 512 ASP C C 512 175.742 175.742 175.564 0.178 18840 5022 1 15 . 1 1 512 512 ASP CA C 512 54.405 54.405 54.016 0.389 18840 5023 1 15 . 1 1 512 512 ASP CB C 512 40.977 40.977 40.249 0.728 18840 5024 1 15 . 1 1 512 512 ASP H H 512 8.258 8.258 8.624 -0.366 18840 5025 1 15 . 1 1 513 513 SER N N 513 116.712 116.712 116.876 -0.164 18840 5026 1 15 . 1 1 513 513 SER HA H 513 4.282 4.282 4.157 0.125 18840 5027 1 15 . 1 1 513 513 SER C C 513 174.628 174.628 173.976 0.652 18840 5028 1 15 . 1 1 513 513 SER CA C 513 57.783 57.783 58.549 -0.766 18840 5029 1 15 . 1 1 513 513 SER CB C 513 64.481 64.481 63.376 1.105 18840 5030 1 15 . 1 1 513 513 SER H H 513 8.004 8.004 7.477 0.527 18840 5031 1 15 . 1 1 514 514 LEU N N 514 124.291 124.291 123.713 0.578 18840 5032 1 15 . 1 1 514 514 LEU HA H 514 4.360 4.360 4.173 0.187 18840 5033 1 15 . 1 1 514 514 LEU C C 514 176.422 176.422 176.649 -0.227 18840 5034 1 15 . 1 1 514 514 LEU CA C 514 54.896 54.896 54.902 -0.006 18840 5035 1 15 . 1 1 514 514 LEU CB C 514 43.711 43.711 42.640 1.071 18840 5036 1 15 . 1 1 514 514 LEU H H 514 8.248 8.248 8.116 0.132 18840 5037 1 15 . 1 1 515 515 CYS N N 515 121.802 121.802 123.492 -1.690 18840 5038 1 15 . 1 1 515 515 CYS HA H 515 3.818 3.818 4.409 -0.591 18840 5039 1 15 . 1 1 515 515 CYS C C 515 177.418 177.418 176.383 1.035 18840 5040 1 15 . 1 1 515 515 CYS CA C 515 60.542 60.542 59.384 1.158 18840 5041 1 15 . 1 1 515 515 CYS CB C 515 31.859 31.859 27.864 3.995 18840 5042 1 15 . 1 1 515 515 CYS H H 515 8.418 8.418 8.315 0.103 18840 5043 1 15 . 1 1 516 516 HIS N N 516 129.671 129.671 126.913 2.758 18840 5044 1 15 . 1 1 516 516 HIS HA H 516 4.497 4.497 4.315 0.182 18840 5045 1 15 . 1 1 516 516 HIS C C 516 175.845 175.845 175.972 -0.127 18840 5046 1 15 . 1 1 516 516 HIS CA C 516 58.672 58.672 58.947 -0.275 18840 5047 1 15 . 1 1 516 516 HIS CB C 516 31.910 31.910 29.781 2.129 18840 5048 1 15 . 1 1 516 516 HIS H H 516 9.149 9.149 8.387 0.762 18840 5049 1 15 . 1 1 517 517 ILE N N 517 121.766 121.766 118.609 3.157 18840 5050 1 15 . 1 1 517 517 ILE HA H 517 4.170 4.170 3.783 0.387 18840 5051 1 15 . 1 1 517 517 ILE C C 517 177.448 177.448 177.137 0.311 18840 5052 1 15 . 1 1 517 517 ILE CA C 517 61.900 61.900 62.763 -0.863 18840 5053 1 15 . 1 1 517 517 ILE CB C 517 35.256 35.256 37.264 -2.007 18840 5054 1 15 . 1 1 517 517 ILE H H 517 9.347 9.347 7.836 1.511 18840 5055 1 15 . 1 1 518 518 CYS N N 518 118.774 118.774 116.950 1.824 18840 5056 1 15 . 1 1 518 518 CYS HA H 518 4.772 4.772 4.303 0.469 18840 5057 1 15 . 1 1 518 518 CYS C C 518 176.883 176.883 175.441 1.442 18840 5058 1 15 . 1 1 518 518 CYS CA C 518 59.309 59.309 59.300 0.009 18840 5059 1 15 . 1 1 518 518 CYS CB C 518 31.994 31.994 28.513 3.481 18840 5060 1 15 . 1 1 518 518 CYS H H 518 8.564 8.564 8.178 0.386 18840 5061 1 15 . 1 1 519 519 SER N N 519 116.362 116.362 114.215 2.147 18840 5062 1 15 . 1 1 519 519 SER HA H 519 4.403 4.403 4.263 0.140 18840 5063 1 15 . 1 1 519 519 SER C C 519 174.258 174.258 174.060 0.198 18840 5064 1 15 . 1 1 519 519 SER CA C 519 60.236 60.236 59.841 0.395 18840 5065 1 15 . 1 1 519 519 SER CB C 519 62.727 62.727 61.528 1.199 18840 5066 1 15 . 1 1 519 519 SER H H 519 7.619 7.619 8.476 -0.857 18840 5067 1 15 . 1 1 520 520 SER N N 520 113.506 113.506 114.825 -1.319 18840 5068 1 15 . 1 1 520 520 SER HA H 520 4.832 4.832 4.478 0.354 18840 5069 1 15 . 1 1 520 520 SER C C 520 172.953 172.953 173.816 -0.863 18840 5070 1 15 . 1 1 520 520 SER CA C 520 58.849 58.849 59.537 -0.688 18840 5071 1 15 . 1 1 520 520 SER CB C 520 65.701 65.701 64.183 1.518 18840 5072 1 15 . 1 1 520 520 SER H H 520 8.328 8.328 7.992 0.336 18840 5073 1 15 . 1 1 521 521 GLN N N 521 118.652 118.652 119.746 -1.094 18840 5074 1 15 . 1 1 521 521 GLN HA H 521 4.932 4.932 4.787 0.145 18840 5075 1 15 . 1 1 521 521 GLN CA C 521 52.845 52.845 53.928 -1.083 18840 5076 1 15 . 1 1 521 521 GLN CB C 521 30.606 30.606 30.879 -0.273 18840 5077 1 15 . 1 1 521 521 GLN H H 521 7.416 7.416 7.631 -0.215 18840 5078 1 15 . 1 1 522 522 PRO HA H 522 4.415 4.415 4.714 -0.299 18840 5079 1 15 . 1 1 522 522 PRO C C 522 175.086 175.086 176.877 -1.791 18840 5080 1 15 . 1 1 522 522 PRO CA C 522 63.782 63.782 62.761 1.021 18840 5081 1 15 . 1 1 522 522 PRO CB C 522 32.536 32.536 32.123 0.412 18840 5082 1 15 . 1 1 523 523 GLY N N 523 110.217 110.217 110.797 -0.580 18840 5083 1 15 . 1 1 523 523 GLY CA C 523 46.095 46.095 42.873 3.222 18840 5084 1 15 . 1 1 523 523 GLY H H 523 8.909 8.909 8.098 0.811 18840 5085 1 15 . 1 1 524 524 PRO HA H 524 4.457 4.457 4.212 0.245 18840 5086 1 15 . 1 1 524 524 PRO C C 524 176.040 176.040 176.043 -0.003 18840 5087 1 15 . 1 1 524 524 PRO CA C 524 63.115 63.115 63.495 -0.380 18840 5088 1 15 . 1 1 524 524 PRO CB C 524 32.830 32.830 32.072 0.758 18840 5089 1 15 . 1 1 525 525 PHE N N 525 116.223 116.223 118.488 -2.265 18840 5090 1 15 . 1 1 525 525 PHE HA H 525 5.039 5.039 4.645 0.394 18840 5091 1 15 . 1 1 525 525 PHE C C 525 174.437 174.437 174.369 0.068 18840 5092 1 15 . 1 1 525 525 PHE CA C 525 56.080 56.080 57.121 -1.041 18840 5093 1 15 . 1 1 525 525 PHE CB C 525 39.780 39.780 40.752 -0.972 18840 5094 1 15 . 1 1 525 525 PHE H H 525 8.148 8.148 7.583 0.565 18840 5095 1 15 . 1 1 526 526 PHE N N 526 125.861 125.861 123.990 1.871 18840 5096 1 15 . 1 1 526 526 PHE HA H 526 5.102 5.102 5.417 -0.315 18840 5097 1 15 . 1 1 526 526 PHE C C 526 175.221 175.221 173.984 1.237 18840 5098 1 15 . 1 1 526 526 PHE CA C 526 56.865 56.865 56.126 0.739 18840 5099 1 15 . 1 1 526 526 PHE CB C 526 41.661 41.661 41.808 -0.147 18840 5100 1 15 . 1 1 526 526 PHE H H 526 9.522 9.522 8.583 0.939 18840 5101 1 15 . 1 1 527 527 CYS N N 527 128.663 128.663 128.319 0.344 18840 5102 1 15 . 1 1 527 527 CYS HA H 527 4.931 4.931 5.070 -0.139 18840 5103 1 15 . 1 1 527 527 CYS C C 527 174.052 174.052 174.488 -0.436 18840 5104 1 15 . 1 1 527 527 CYS CA C 527 58.267 58.267 56.516 1.751 18840 5105 1 15 . 1 1 527 527 CYS CB C 527 31.075 31.075 29.515 1.560 18840 5106 1 15 . 1 1 527 527 CYS H H 527 7.723 7.723 8.456 -0.733 18840 5107 1 15 . 1 1 528 528 ARG N N 528 125.354 125.354 125.945 -0.591 18840 5108 1 15 . 1 1 528 528 ARG HA H 528 4.148 4.148 4.538 -0.390 18840 5109 1 15 . 1 1 528 528 ARG C C 528 175.406 175.406 176.214 -0.808 18840 5110 1 15 . 1 1 528 528 ARG CA C 528 55.971 55.971 54.788 1.183 18840 5111 1 15 . 1 1 528 528 ARG CB C 528 31.165 31.165 29.833 1.332 18840 5112 1 15 . 1 1 528 528 ARG H H 528 8.866 8.866 8.610 0.256 18840 5113 1 15 . 1 1 529 529 ASP N N 529 124.001 124.001 121.438 2.563 18840 5114 1 15 . 1 1 529 529 ASP HA H 529 4.203 4.203 4.488 -0.285 18840 5115 1 15 . 1 1 529 529 ASP C C 529 178.105 178.105 177.611 0.494 18840 5116 1 15 . 1 1 529 529 ASP CA C 529 56.288 56.288 54.283 2.005 18840 5117 1 15 . 1 1 529 529 ASP CB C 529 43.574 43.574 42.036 1.538 18840 5118 1 15 . 1 1 529 529 ASP H H 529 8.198 8.198 7.364 0.834 18840 5119 1 15 . 1 1 530 530 GLN N N 530 125.372 125.372 123.974 1.398 18840 5120 1 15 . 1 1 530 530 GLN HA H 530 3.894 3.894 4.028 -0.134 18840 5121 1 15 . 1 1 530 530 GLN C C 530 177.471 177.471 176.027 1.444 18840 5122 1 15 . 1 1 530 530 GLN CA C 530 59.159 59.159 58.284 0.875 18840 5123 1 15 . 1 1 530 530 GLN CB C 530 28.731 28.731 28.045 0.686 18840 5124 1 15 . 1 1 530 530 GLN H H 530 8.746 8.746 8.643 0.103 18840 5125 1 15 . 1 1 531 531 VAL N N 531 113.137 113.137 118.574 -5.437 18840 5126 1 15 . 1 1 531 531 VAL HA H 531 4.282 4.282 3.868 0.414 18840 5127 1 15 . 1 1 531 531 VAL C C 531 176.295 176.295 176.198 0.097 18840 5128 1 15 . 1 1 531 531 VAL CA C 531 63.324 63.324 65.344 -2.020 18840 5129 1 15 . 1 1 531 531 VAL CB C 531 31.457 31.457 32.041 -0.584 18840 5130 1 15 . 1 1 531 531 VAL H H 531 8.659 8.659 8.914 -0.255 18840 5131 1 15 . 1 1 532 532 CYS N N 532 121.034 121.034 116.080 4.954 18840 5132 1 15 . 1 1 532 532 CYS HA H 532 4.568 4.568 4.605 -0.037 18840 5133 1 15 . 1 1 532 532 CYS C C 532 172.994 172.994 174.800 -1.806 18840 5134 1 15 . 1 1 532 532 CYS CA C 532 60.437 60.437 59.326 1.111 18840 5135 1 15 . 1 1 532 532 CYS CB C 532 31.856 31.856 28.848 3.008 18840 5136 1 15 . 1 1 532 532 CYS H H 532 8.023 8.023 7.473 0.550 18840 5137 1 15 . 1 1 533 533 PHE N N 533 129.389 129.389 121.345 8.044 18840 5138 1 15 . 1 1 533 533 PHE HA H 533 4.197 4.197 4.214 -0.017 18840 5139 1 15 . 1 1 533 533 PHE C C 533 174.830 174.830 174.086 0.744 18840 5140 1 15 . 1 1 533 533 PHE CA C 533 59.754 59.754 58.805 0.949 18840 5141 1 15 . 1 1 533 533 PHE CB C 533 38.260 38.260 37.363 0.897 18840 5142 1 15 . 1 1 533 533 PHE H H 533 7.928 7.928 8.176 -0.248 18840 5143 1 15 . 1 1 534 534 LYS N N 534 113.676 113.676 117.452 -3.776 18840 5144 1 15 . 1 1 534 534 LYS HA H 534 4.466 4.466 4.794 -0.328 18840 5145 1 15 . 1 1 534 534 LYS C C 534 173.055 173.055 174.342 -1.287 18840 5146 1 15 . 1 1 534 534 LYS CA C 534 54.068 54.068 55.164 -1.097 18840 5147 1 15 . 1 1 534 534 LYS CB C 534 37.800 37.800 36.269 1.531 18840 5148 1 15 . 1 1 534 534 LYS H H 534 6.430 6.430 7.525 -1.095 18840 5149 1 15 . 1 1 535 535 TYR N N 535 117.686 117.686 117.524 0.162 18840 5150 1 15 . 1 1 535 535 TYR HA H 535 5.165 5.165 5.640 -0.475 18840 5151 1 15 . 1 1 535 535 TYR C C 535 175.888 175.888 175.515 0.373 18840 5152 1 15 . 1 1 535 535 TYR CA C 535 58.593 58.593 56.465 2.128 18840 5153 1 15 . 1 1 535 535 TYR CB C 535 40.020 40.020 39.858 0.162 18840 5154 1 15 . 1 1 535 535 TYR H H 535 7.145 7.145 8.847 -1.702 18840 5155 1 15 . 1 1 536 536 PHE N N 536 117.497 117.497 117.005 0.492 18840 5156 1 15 . 1 1 536 536 PHE HA H 536 6.399 6.399 5.158 1.241 18840 5157 1 15 . 1 1 536 536 PHE C C 536 177.127 177.127 175.354 1.773 18840 5158 1 15 . 1 1 536 536 PHE CA C 536 57.056 57.056 57.020 0.036 18840 5159 1 15 . 1 1 536 536 PHE CB C 536 45.217 45.217 44.112 1.105 18840 5160 1 15 . 1 1 536 536 PHE H H 536 9.608 9.608 9.212 0.396 18840 5161 1 15 . 1 1 537 537 CYS N N 537 119.624 119.624 121.231 -1.607 18840 5162 1 15 . 1 1 537 537 CYS HA H 537 5.499 5.499 4.932 0.567 18840 5163 1 15 . 1 1 537 537 CYS C C 537 176.128 176.128 176.293 -0.165 18840 5164 1 15 . 1 1 537 537 CYS CA C 537 58.097 58.097 58.664 -0.567 18840 5165 1 15 . 1 1 537 537 CYS CB C 537 32.306 32.306 29.511 2.795 18840 5166 1 15 . 1 1 537 537 CYS H H 537 9.777 9.777 8.834 0.943 18840 5167 1 15 . 1 1 538 538 ARG N N 538 120.573 120.573 122.492 -1.919 18840 5168 1 15 . 1 1 538 538 ARG HA H 538 3.791 3.791 4.109 -0.318 18840 5169 1 15 . 1 1 538 538 ARG C C 538 178.403 178.403 178.022 0.381 18840 5170 1 15 . 1 1 538 538 ARG CA C 538 60.937 60.937 61.032 -0.095 18840 5171 1 15 . 1 1 538 538 ARG CB C 538 30.392 30.392 30.259 0.133 18840 5172 1 15 . 1 1 538 538 ARG H H 538 9.375 9.375 9.075 0.300 18840 5173 1 15 . 1 1 539 539 SER N N 539 114.562 114.562 113.611 0.951 18840 5174 1 15 . 1 1 539 539 SER HA H 539 4.491 4.491 4.408 0.083 18840 5175 1 15 . 1 1 539 539 SER C C 539 178.610 178.610 176.369 2.241 18840 5176 1 15 . 1 1 539 539 SER CA C 539 62.159 62.159 61.191 0.968 18840 5177 1 15 . 1 1 539 539 SER CB C 539 62.934 62.934 63.004 -0.070 18840 5178 1 15 . 1 1 539 539 SER H H 539 8.549 8.549 8.601 -0.052 18840 5179 1 15 . 1 1 540 540 CYS N N 540 126.990 126.990 121.726 5.264 18840 5180 1 15 . 1 1 540 540 CYS HA H 540 4.454 4.454 4.596 -0.142 18840 5181 1 15 . 1 1 540 540 CYS C C 540 178.546 178.546 177.147 1.399 18840 5182 1 15 . 1 1 540 540 CYS CA C 540 65.024 65.024 62.028 2.996 18840 5183 1 15 . 1 1 540 540 CYS CB C 540 30.747 30.747 26.286 4.461 18840 5184 1 15 . 1 1 540 540 CYS H H 540 9.534 9.534 8.364 1.170 18840 5185 1 15 . 1 1 541 541 TRP N N 541 121.037 121.037 122.249 -1.212 18840 5186 1 15 . 1 1 541 541 TRP HA H 541 3.319 3.319 4.195 -0.876 18840 5187 1 15 . 1 1 541 541 TRP C C 541 179.671 179.671 177.689 1.982 18840 5188 1 15 . 1 1 541 541 TRP CA C 541 62.783 62.783 60.898 1.885 18840 5189 1 15 . 1 1 541 541 TRP CB C 541 27.747 27.747 28.928 -1.181 18840 5190 1 15 . 1 1 541 541 TRP H H 541 9.632 9.632 8.977 0.655 18840 5191 1 15 . 1 1 542 542 HIS N N 542 119.251 119.251 119.879 -0.628 18840 5192 1 15 . 1 1 542 542 HIS HA H 542 4.330 4.330 4.284 0.046 18840 5193 1 15 . 1 1 542 542 HIS C C 542 177.291 177.291 176.373 0.918 18840 5194 1 15 . 1 1 542 542 HIS CA C 542 59.909 59.909 60.575 -0.666 18840 5195 1 15 . 1 1 542 542 HIS CB C 542 30.594 30.594 30.222 0.372 18840 5196 1 15 . 1 1 542 542 HIS H H 542 8.073 8.073 7.986 0.087 18840 5197 1 15 . 1 1 543 543 TRP N N 543 121.212 121.212 119.945 1.267 18840 5198 1 15 . 1 1 543 543 TRP HA H 543 4.231 4.231 4.298 -0.067 18840 5199 1 15 . 1 1 543 543 TRP C C 543 178.256 178.256 178.801 -0.545 18840 5200 1 15 . 1 1 543 543 TRP CA C 543 60.959 60.959 60.197 0.762 18840 5201 1 15 . 1 1 543 543 TRP CB C 543 28.593 28.593 29.727 -1.134 18840 5202 1 15 . 1 1 543 543 TRP H H 543 8.200 8.200 8.213 -0.013 18840 5203 1 15 . 1 1 544 544 ARG N N 544 118.044 118.044 120.098 -2.054 18840 5204 1 15 . 1 1 544 544 ARG HA H 544 3.199 3.199 3.693 -0.494 18840 5205 1 15 . 1 1 544 544 ARG C C 544 176.093 176.093 178.115 -2.022 18840 5206 1 15 . 1 1 544 544 ARG CA C 544 57.149 57.149 58.224 -1.075 18840 5207 1 15 . 1 1 544 544 ARG CB C 544 29.942 29.942 29.267 0.675 18840 5208 1 15 . 1 1 544 544 ARG H H 544 8.194 8.194 8.254 -0.060 18840 5209 1 15 . 1 1 545 545 HIS N N 545 109.049 109.049 115.056 -6.007 18840 5210 1 15 . 1 1 545 545 HIS HA H 545 3.781 3.781 4.255 -0.474 18840 5211 1 15 . 1 1 545 545 HIS C C 545 173.247 173.247 175.106 -1.859 18840 5212 1 15 . 1 1 545 545 HIS CA C 545 58.848 58.848 56.177 2.671 18840 5213 1 15 . 1 1 545 545 HIS CB C 545 25.314 25.314 28.794 -3.480 18840 5214 1 15 . 1 1 545 545 HIS H H 545 7.410 7.410 7.640 -0.230 18840 5215 1 15 . 1 1 546 546 SER N N 546 112.353 112.353 114.628 -2.275 18840 5216 1 15 . 1 1 546 546 SER HA H 546 4.336 4.336 4.041 0.295 18840 5217 1 15 . 1 1 546 546 SER C C 546 174.714 174.714 174.573 0.141 18840 5218 1 15 . 1 1 546 546 SER CA C 546 59.042 59.042 58.883 0.159 18840 5219 1 15 . 1 1 546 546 SER CB C 546 63.464 63.464 62.966 0.498 18840 5220 1 15 . 1 1 546 546 SER H H 546 6.948 6.948 7.082 -0.134 18840 5221 1 15 . 1 1 547 547 MET N N 547 121.366 121.366 122.532 -1.166 18840 5222 1 15 . 1 1 547 547 MET HA H 547 4.188 4.188 4.164 0.024 18840 5223 1 15 . 1 1 547 547 MET C C 547 175.421 175.421 175.472 -0.051 18840 5224 1 15 . 1 1 547 547 MET CA C 547 55.504 55.504 54.769 0.735 18840 5225 1 15 . 1 1 547 547 MET CB C 547 33.318 33.318 33.339 -0.021 18840 5226 1 15 . 1 1 547 547 MET H H 547 6.821 6.821 7.191 -0.370 18840 5227 1 15 . 1 1 548 548 GLU N N 548 122.898 122.898 126.782 -3.884 18840 5228 1 15 . 1 1 548 548 GLU HA H 548 3.807 3.807 4.118 -0.311 18840 5229 1 15 . 1 1 548 548 GLU C C 548 176.918 176.918 177.202 -0.284 18840 5230 1 15 . 1 1 548 548 GLU CA C 548 58.746 58.746 58.208 0.538 18840 5231 1 15 . 1 1 548 548 GLU CB C 548 29.505 29.505 29.809 -0.304 18840 5232 1 15 . 1 1 548 548 GLU H H 548 8.515 8.515 8.609 -0.094 18840 5233 1 15 . 1 1 549 549 GLY N N 549 112.898 112.898 110.095 2.803 18840 5234 1 15 . 1 1 549 549 GLY C C 549 174.645 174.645 174.850 -0.205 18840 5235 1 15 . 1 1 549 549 GLY CA C 549 45.411 45.411 45.142 0.269 18840 5236 1 15 . 1 1 549 549 GLY H H 549 8.950 8.950 8.797 0.153 18840 5237 1 15 . 1 1 550 550 LEU N N 550 118.164 118.164 119.610 -1.446 18840 5238 1 15 . 1 1 550 550 LEU HA H 550 3.928 3.928 4.439 -0.511 18840 5239 1 15 . 1 1 550 550 LEU C C 550 177.030 177.030 177.406 -0.376 18840 5240 1 15 . 1 1 550 550 LEU CA C 550 54.291 54.291 53.901 0.390 18840 5241 1 15 . 1 1 550 550 LEU CB C 550 42.968 42.968 41.623 1.345 18840 5242 1 15 . 1 1 550 550 LEU H H 550 7.702 7.702 7.345 0.357 18840 5243 1 15 . 1 1 551 551 ARG N N 551 115.914 115.914 118.950 -3.036 18840 5244 1 15 . 1 1 551 551 ARG HA H 551 4.405 4.405 4.056 0.349 18840 5245 1 15 . 1 1 551 551 ARG C C 551 177.206 177.206 176.560 0.646 18840 5246 1 15 . 1 1 551 551 ARG CA C 551 58.406 58.406 57.997 0.409 18840 5247 1 15 . 1 1 551 551 ARG CB C 551 30.360 30.360 29.454 0.906 18840 5248 1 15 . 1 1 551 551 ARG H H 551 7.299 7.299 8.285 -0.986 18840 5249 1 15 . 1 1 552 552 HIS N N 552 113.766 113.766 115.123 -1.357 18840 5250 1 15 . 1 1 552 552 HIS HA H 552 4.692 4.692 4.647 0.045 18840 5251 1 15 . 1 1 552 552 HIS C C 552 175.959 175.959 174.536 1.423 18840 5252 1 15 . 1 1 552 552 HIS CA C 552 56.223 56.223 55.571 0.652 18840 5253 1 15 . 1 1 552 552 HIS CB C 552 30.228 30.228 29.551 0.677 18840 5254 1 15 . 1 1 552 552 HIS H H 552 8.480 8.480 8.083 0.397 18840 5255 1 15 . 1 1 553 553 HIS N N 553 122.502 122.502 121.374 1.128 18840 5256 1 15 . 1 1 553 553 HIS HA H 553 4.459 4.459 4.282 0.177 18840 5257 1 15 . 1 1 553 553 HIS C C 553 174.820 174.820 174.408 0.412 18840 5258 1 15 . 1 1 553 553 HIS CA C 553 55.553 55.553 56.484 -0.931 18840 5259 1 15 . 1 1 553 553 HIS CB C 553 31.320 31.320 30.266 1.054 18840 5260 1 15 . 1 1 553 553 HIS H H 553 6.954 6.954 7.325 -0.371 18840 5261 1 15 . 1 1 554 554 SER N N 554 117.586 117.586 117.513 0.073 18840 5262 1 15 . 1 1 554 554 SER HA H 554 5.128 5.128 4.883 0.245 18840 5263 1 15 . 1 1 554 554 SER CA C 554 55.199 55.199 56.650 -1.451 18840 5264 1 15 . 1 1 554 554 SER CB C 554 64.833 64.833 66.079 -1.246 18840 5265 1 15 . 1 1 554 554 SER H H 554 8.668 8.668 8.411 0.257 18840 5266 1 15 . 1 1 555 555 PRO HA H 555 4.296 4.296 4.896 -0.600 18840 5267 1 15 . 1 1 555 555 PRO C C 555 176.447 176.447 176.548 -0.101 18840 5268 1 15 . 1 1 555 555 PRO CA C 555 63.029 63.029 62.076 0.953 18840 5269 1 15 . 1 1 555 555 PRO CB C 555 31.779 31.779 32.023 -0.244 18840 5270 1 15 . 1 1 556 556 LEU N N 556 123.469 123.469 124.523 -1.054 18840 5271 1 15 . 1 1 556 556 LEU HA H 556 4.788 4.788 4.480 0.308 18840 5272 1 15 . 1 1 556 556 LEU C C 556 176.176 176.176 176.390 -0.214 18840 5273 1 15 . 1 1 556 556 LEU CA C 556 54.247 54.247 55.087 -0.839 18840 5274 1 15 . 1 1 556 556 LEU CB C 556 44.237 44.237 42.831 1.406 18840 5275 1 15 . 1 1 556 556 LEU H H 556 8.802 8.802 8.175 0.627 18840 5276 1 15 . 1 1 557 557 MET N N 557 122.362 122.362 120.345 2.017 18840 5277 1 15 . 1 1 557 557 MET HA H 557 4.983 4.983 4.690 0.293 18840 5278 1 15 . 1 1 557 557 MET C C 557 175.983 175.983 175.219 0.764 18840 5279 1 15 . 1 1 557 557 MET CA C 557 54.641 54.641 54.056 0.585 18840 5280 1 15 . 1 1 557 557 MET CB C 557 34.181 34.181 35.334 -1.153 18840 5281 1 15 . 1 1 557 557 MET H H 557 8.624 8.624 8.353 0.271 18840 5282 1 15 . 1 1 558 558 ARG N N 558 123.450 123.450 122.446 1.004 18840 5283 1 15 . 1 1 558 558 ARG HA H 558 4.302 4.302 4.109 0.193 18840 5284 1 15 . 1 1 558 558 ARG CA C 558 56.545 56.545 56.934 -0.389 18840 5285 1 15 . 1 1 558 558 ARG CB C 558 31.139 31.139 31.174 -0.035 18840 5286 1 15 . 1 1 558 558 ARG H H 558 8.901 8.901 8.487 0.414 18840 5287 1 15 . 1 1 559 559 ASN HA H 559 4.642 4.642 4.504 0.138 18840 5288 1 15 . 1 1 559 559 ASN CA C 559 53.286 53.286 55.023 -1.737 18840 5289 1 15 . 1 1 559 559 ASN CB C 559 38.877 38.877 38.815 0.062 18840 5290 1 15 . 1 1 560 560 GLN N N 560 121.173 121.173 121.082 0.091 18840 5291 1 15 . 1 1 560 560 GLN HA H 560 4.308 4.308 4.283 0.025 18840 5292 1 15 . 1 1 560 560 GLN C C 560 175.883 175.883 175.690 0.193 18840 5293 1 15 . 1 1 560 560 GLN CA C 560 56.023 56.023 56.186 -0.163 18840 5294 1 15 . 1 1 560 560 GLN CB C 560 29.702 29.702 29.162 0.540 18840 5295 1 15 . 1 1 560 560 GLN H H 560 8.284 8.284 8.534 -0.250 18840 5296 1 15 . 1 1 561 561 LYS N N 561 122.223 122.223 124.549 -2.326 18840 5297 1 15 . 1 1 561 561 LYS HA H 561 4.267 4.267 4.429 -0.162 18840 5298 1 15 . 1 1 561 561 LYS C C 561 176.349 176.349 176.317 0.032 18840 5299 1 15 . 1 1 561 561 LYS CA C 561 56.659 56.659 55.941 0.718 18840 5300 1 15 . 1 1 561 561 LYS CB C 561 32.966 32.966 33.613 -0.647 18840 5301 1 15 . 1 1 561 561 LYS H H 561 8.350 8.350 8.498 -0.148 18840 5302 1 15 . 1 1 562 562 ASN N N 562 119.683 119.683 119.709 -0.026 18840 5303 1 15 . 1 1 562 562 ASN HA H 562 4.681 4.681 4.777 -0.096 18840 5304 1 15 . 1 1 562 562 ASN C C 562 175.298 175.298 174.407 0.891 18840 5305 1 15 . 1 1 562 562 ASN CA C 562 53.375 53.375 53.471 -0.096 18840 5306 1 15 . 1 1 562 562 ASN CB C 562 38.920 38.920 39.643 -0.723 18840 5307 1 15 . 1 1 562 562 ASN H H 562 8.440 8.440 8.353 0.087 18840 5308 1 15 . 1 1 563 563 ARG N N 563 121.405 121.405 122.209 -0.804 18840 5309 1 15 . 1 1 563 563 ARG HA H 563 4.315 4.315 4.470 -0.155 18840 5310 1 15 . 1 1 563 563 ARG C C 563 176.088 176.088 174.890 1.198 18840 5311 1 15 . 1 1 563 563 ARG CA C 563 56.489 56.489 55.380 1.109 18840 5312 1 15 . 1 1 563 563 ARG CB C 563 30.775 30.775 31.684 -0.909 18840 5313 1 15 . 1 1 563 563 ARG H H 563 8.333 8.333 8.247 0.086 18840 5314 1 15 . 1 1 564 564 ASP N N 564 121.203 121.203 122.682 -1.479 18840 5315 1 15 . 1 1 564 564 ASP HA H 564 4.667 4.667 4.665 0.002 18840 5316 1 15 . 1 1 564 564 ASP C C 564 176.148 176.148 176.771 -0.623 18840 5317 1 15 . 1 1 564 564 ASP CA C 564 54.597 54.597 55.459 -0.862 18840 5318 1 15 . 1 1 564 564 ASP CB C 564 41.249 41.249 41.604 -0.355 18840 5319 1 15 . 1 1 564 564 ASP H H 564 8.387 8.387 8.529 -0.142 18840 5320 1 15 . 1 1 565 565 SER N N 565 116.058 116.058 113.094 2.964 18840 5321 1 15 . 1 1 565 565 SER HA H 565 4.528 4.528 4.592 -0.064 18840 5322 1 15 . 1 1 565 565 SER C C 565 173.755 173.755 172.444 1.311 18840 5323 1 15 . 1 1 565 565 SER CA C 565 58.266 58.266 57.947 0.319 18840 5324 1 15 . 1 1 565 565 SER CB C 565 64.077 64.077 63.687 0.390 18840 5325 1 15 . 1 1 565 565 SER H H 565 8.186 8.186 7.914 0.272 18840 5326 1 16 . 1 1 503 503 PRO HA H 503 4.533 4.533 4.572 -0.039 18840 5327 1 16 . 1 1 503 503 PRO C C 503 176.777 176.777 176.427 0.350 18840 5328 1 16 . 1 1 503 503 PRO CA C 503 62.962 62.962 62.256 0.706 18840 5329 1 16 . 1 1 503 503 PRO CB C 503 32.403 32.403 32.675 -0.272 18840 5330 1 16 . 1 1 504 504 VAL N N 504 120.734 120.734 120.525 0.209 18840 5331 1 16 . 1 1 504 504 VAL HA H 504 4.102 4.102 4.110 -0.008 18840 5332 1 16 . 1 1 504 504 VAL C C 504 175.887 175.887 175.742 0.145 18840 5333 1 16 . 1 1 504 504 VAL CA C 504 62.483 62.483 63.208 -0.725 18840 5334 1 16 . 1 1 504 504 VAL CB C 504 32.864 32.864 31.811 1.053 18840 5335 1 16 . 1 1 504 504 VAL H H 504 8.290 8.290 8.217 0.073 18840 5336 1 16 . 1 1 505 505 GLN N N 505 125.069 125.069 125.857 -0.788 18840 5337 1 16 . 1 1 505 505 GLN HA H 505 4.430 4.430 4.802 -0.372 18840 5338 1 16 . 1 1 505 505 GLN C C 505 175.207 175.207 174.727 0.480 18840 5339 1 16 . 1 1 505 505 GLN CA C 505 55.476 55.476 54.915 0.561 18840 5340 1 16 . 1 1 505 505 GLN CB C 505 29.918 29.918 31.827 -1.909 18840 5341 1 16 . 1 1 505 505 GLN H H 505 8.450 8.450 8.448 0.002 18840 5342 1 16 . 1 1 506 506 ILE N N 506 123.121 123.121 118.009 5.112 18840 5343 1 16 . 1 1 506 506 ILE HA H 506 4.303 4.303 4.830 -0.527 18840 5344 1 16 . 1 1 506 506 ILE C C 506 175.607 175.607 174.497 1.110 18840 5345 1 16 . 1 1 506 506 ILE CA C 506 60.346 60.346 60.375 -0.029 18840 5346 1 16 . 1 1 506 506 ILE CB C 506 39.046 39.046 40.797 -1.751 18840 5347 1 16 . 1 1 506 506 ILE H H 506 8.259 8.259 8.610 -0.351 18840 5348 1 16 . 1 1 507 507 ASP N N 507 126.258 126.258 121.301 4.957 18840 5349 1 16 . 1 1 507 507 ASP HA H 507 4.909 4.909 4.845 0.064 18840 5350 1 16 . 1 1 507 507 ASP CA C 507 51.929 51.929 52.682 -0.753 18840 5351 1 16 . 1 1 507 507 ASP CB C 507 41.712 41.712 41.596 0.117 18840 5352 1 16 . 1 1 507 507 ASP H H 507 8.419 8.419 8.423 -0.004 18840 5353 1 16 . 1 1 508 508 PRO HA H 508 4.304 4.304 4.420 -0.116 18840 5354 1 16 . 1 1 508 508 PRO C C 508 176.539 176.539 176.823 -0.284 18840 5355 1 16 . 1 1 508 508 PRO CA C 508 63.271 63.271 62.311 0.960 18840 5356 1 16 . 1 1 508 508 PRO CB C 508 32.117 32.117 32.106 0.011 18840 5357 1 16 . 1 1 509 509 TYR N N 509 119.278 119.278 116.585 2.693 18840 5358 1 16 . 1 1 509 509 TYR HA H 509 4.486 4.486 4.396 0.090 18840 5359 1 16 . 1 1 509 509 TYR C C 509 175.814 175.814 174.603 1.211 18840 5360 1 16 . 1 1 509 509 TYR CA C 509 57.945 57.945 58.396 -0.451 18840 5361 1 16 . 1 1 509 509 TYR CB C 509 37.723 37.723 38.636 -0.913 18840 5362 1 16 . 1 1 509 509 TYR H H 509 8.218 8.218 7.866 0.352 18840 5363 1 16 . 1 1 510 510 LEU N N 510 122.827 122.827 119.510 3.317 18840 5364 1 16 . 1 1 510 510 LEU HA H 510 4.254 4.254 4.520 -0.266 18840 5365 1 16 . 1 1 510 510 LEU C C 510 176.689 176.689 176.423 0.266 18840 5366 1 16 . 1 1 510 510 LEU CA C 510 54.934 54.934 54.594 0.340 18840 5367 1 16 . 1 1 510 510 LEU CB C 510 42.647 42.647 44.795 -2.148 18840 5368 1 16 . 1 1 510 510 LEU H H 510 7.655 7.655 7.065 0.590 18840 5369 1 16 . 1 1 511 511 GLU N N 511 120.110 120.110 122.549 -2.439 18840 5370 1 16 . 1 1 511 511 GLU HA H 511 4.234 4.234 4.267 -0.033 18840 5371 1 16 . 1 1 511 511 GLU CA C 511 55.912 55.912 56.706 -0.794 18840 5372 1 16 . 1 1 511 511 GLU CB C 511 31.398 31.398 30.222 1.176 18840 5373 1 16 . 1 1 511 511 GLU H H 511 8.223 8.223 8.665 -0.442 18840 5374 1 16 . 1 1 512 512 ASP N N 512 120.430 120.430 119.160 1.270 18840 5375 1 16 . 1 1 512 512 ASP HA H 512 4.439 4.439 4.659 -0.220 18840 5376 1 16 . 1 1 512 512 ASP C C 512 175.742 175.742 175.852 -0.110 18840 5377 1 16 . 1 1 512 512 ASP CA C 512 54.405 54.405 53.400 1.005 18840 5378 1 16 . 1 1 512 512 ASP CB C 512 40.977 40.977 41.779 -0.802 18840 5379 1 16 . 1 1 512 512 ASP H H 512 8.258 8.258 7.866 0.392 18840 5380 1 16 . 1 1 513 513 SER N N 513 116.712 116.712 115.177 1.535 18840 5381 1 16 . 1 1 513 513 SER HA H 513 4.282 4.282 4.089 0.193 18840 5382 1 16 . 1 1 513 513 SER C C 513 174.628 174.628 173.671 0.957 18840 5383 1 16 . 1 1 513 513 SER CA C 513 57.783 57.783 58.050 -0.267 18840 5384 1 16 . 1 1 513 513 SER CB C 513 64.481 64.481 63.029 1.452 18840 5385 1 16 . 1 1 513 513 SER H H 513 8.004 8.004 7.859 0.145 18840 5386 1 16 . 1 1 514 514 LEU N N 514 124.291 124.291 123.337 0.954 18840 5387 1 16 . 1 1 514 514 LEU HA H 514 4.360 4.360 4.199 0.161 18840 5388 1 16 . 1 1 514 514 LEU C C 514 176.422 176.422 175.622 0.800 18840 5389 1 16 . 1 1 514 514 LEU CA C 514 54.896 54.896 55.109 -0.213 18840 5390 1 16 . 1 1 514 514 LEU CB C 514 43.711 43.711 43.127 0.584 18840 5391 1 16 . 1 1 514 514 LEU H H 514 8.248 8.248 8.015 0.233 18840 5392 1 16 . 1 1 515 515 CYS N N 515 121.802 121.802 125.739 -3.937 18840 5393 1 16 . 1 1 515 515 CYS HA H 515 3.818 3.818 4.459 -0.641 18840 5394 1 16 . 1 1 515 515 CYS C C 515 177.418 177.418 175.823 1.595 18840 5395 1 16 . 1 1 515 515 CYS CA C 515 60.542 60.542 59.698 0.844 18840 5396 1 16 . 1 1 515 515 CYS CB C 515 31.859 31.859 27.692 4.167 18840 5397 1 16 . 1 1 515 515 CYS H H 515 8.418 8.418 8.356 0.062 18840 5398 1 16 . 1 1 516 516 HIS N N 516 129.671 129.671 127.385 2.286 18840 5399 1 16 . 1 1 516 516 HIS HA H 516 4.497 4.497 4.347 0.150 18840 5400 1 16 . 1 1 516 516 HIS C C 516 175.845 175.845 176.334 -0.489 18840 5401 1 16 . 1 1 516 516 HIS CA C 516 58.672 58.672 59.132 -0.460 18840 5402 1 16 . 1 1 516 516 HIS CB C 516 31.910 31.910 30.123 1.787 18840 5403 1 16 . 1 1 516 516 HIS H H 516 9.149 9.149 8.439 0.710 18840 5404 1 16 . 1 1 517 517 ILE N N 517 121.766 121.766 117.836 3.930 18840 5405 1 16 . 1 1 517 517 ILE HA H 517 4.170 4.170 3.849 0.321 18840 5406 1 16 . 1 1 517 517 ILE C C 517 177.448 177.448 178.213 -0.765 18840 5407 1 16 . 1 1 517 517 ILE CA C 517 61.900 61.900 63.142 -1.242 18840 5408 1 16 . 1 1 517 517 ILE CB C 517 35.256 35.256 37.200 -1.944 18840 5409 1 16 . 1 1 517 517 ILE H H 517 9.347 9.347 7.741 1.606 18840 5410 1 16 . 1 1 518 518 CYS N N 518 118.774 118.774 116.594 2.180 18840 5411 1 16 . 1 1 518 518 CYS HA H 518 4.772 4.772 4.347 0.425 18840 5412 1 16 . 1 1 518 518 CYS C C 518 176.883 176.883 175.723 1.160 18840 5413 1 16 . 1 1 518 518 CYS CA C 518 59.309 59.309 59.272 0.037 18840 5414 1 16 . 1 1 518 518 CYS CB C 518 31.994 31.994 26.562 5.432 18840 5415 1 16 . 1 1 518 518 CYS H H 518 8.564 8.564 8.214 0.350 18840 5416 1 16 . 1 1 519 519 SER N N 519 116.362 116.362 115.173 1.189 18840 5417 1 16 . 1 1 519 519 SER HA H 519 4.403 4.403 4.256 0.147 18840 5418 1 16 . 1 1 519 519 SER C C 519 174.258 174.258 173.983 0.275 18840 5419 1 16 . 1 1 519 519 SER CA C 519 60.236 60.236 59.969 0.267 18840 5420 1 16 . 1 1 519 519 SER CB C 519 62.727 62.727 61.472 1.255 18840 5421 1 16 . 1 1 519 519 SER H H 519 7.619 7.619 8.633 -1.014 18840 5422 1 16 . 1 1 520 520 SER N N 520 113.506 113.506 114.254 -0.748 18840 5423 1 16 . 1 1 520 520 SER HA H 520 4.832 4.832 4.567 0.265 18840 5424 1 16 . 1 1 520 520 SER C C 520 172.953 172.953 173.049 -0.096 18840 5425 1 16 . 1 1 520 520 SER CA C 520 58.849 58.849 58.945 -0.096 18840 5426 1 16 . 1 1 520 520 SER CB C 520 65.701 65.701 64.306 1.395 18840 5427 1 16 . 1 1 520 520 SER H H 520 8.328 8.328 8.062 0.266 18840 5428 1 16 . 1 1 521 521 GLN N N 521 118.652 118.652 117.777 0.875 18840 5429 1 16 . 1 1 521 521 GLN HA H 521 4.932 4.932 4.728 0.204 18840 5430 1 16 . 1 1 521 521 GLN CA C 521 52.845 52.845 53.569 -0.724 18840 5431 1 16 . 1 1 521 521 GLN CB C 521 30.606 30.606 28.858 1.748 18840 5432 1 16 . 1 1 521 521 GLN H H 521 7.416 7.416 7.729 -0.313 18840 5433 1 16 . 1 1 522 522 PRO HA H 522 4.415 4.415 4.623 -0.208 18840 5434 1 16 . 1 1 522 522 PRO C C 522 175.086 175.086 176.720 -1.634 18840 5435 1 16 . 1 1 522 522 PRO CA C 522 63.782 63.782 62.711 1.071 18840 5436 1 16 . 1 1 522 522 PRO CB C 522 32.536 32.536 32.096 0.440 18840 5437 1 16 . 1 1 523 523 GLY N N 523 110.217 110.217 108.623 1.594 18840 5438 1 16 . 1 1 523 523 GLY CA C 523 46.095 46.095 42.806 3.289 18840 5439 1 16 . 1 1 523 523 GLY H H 523 8.909 8.909 8.163 0.746 18840 5440 1 16 . 1 1 524 524 PRO HA H 524 4.457 4.457 4.272 0.185 18840 5441 1 16 . 1 1 524 524 PRO C C 524 176.040 176.040 176.045 -0.005 18840 5442 1 16 . 1 1 524 524 PRO CA C 524 63.115 63.115 63.727 -0.612 18840 5443 1 16 . 1 1 524 524 PRO CB C 524 32.830 32.830 31.928 0.902 18840 5444 1 16 . 1 1 525 525 PHE N N 525 116.223 116.223 118.642 -2.419 18840 5445 1 16 . 1 1 525 525 PHE HA H 525 5.039 5.039 4.667 0.372 18840 5446 1 16 . 1 1 525 525 PHE C C 525 174.437 174.437 174.183 0.254 18840 5447 1 16 . 1 1 525 525 PHE CA C 525 56.080 56.080 56.917 -0.837 18840 5448 1 16 . 1 1 525 525 PHE CB C 525 39.780 39.780 41.591 -1.811 18840 5449 1 16 . 1 1 525 525 PHE H H 525 8.148 8.148 7.815 0.333 18840 5450 1 16 . 1 1 526 526 PHE N N 526 125.861 125.861 123.359 2.502 18840 5451 1 16 . 1 1 526 526 PHE HA H 526 5.102 5.102 5.436 -0.334 18840 5452 1 16 . 1 1 526 526 PHE C C 526 175.221 175.221 174.080 1.141 18840 5453 1 16 . 1 1 526 526 PHE CA C 526 56.865 56.865 56.236 0.629 18840 5454 1 16 . 1 1 526 526 PHE CB C 526 41.661 41.661 41.992 -0.331 18840 5455 1 16 . 1 1 526 526 PHE H H 526 9.522 9.522 8.595 0.927 18840 5456 1 16 . 1 1 527 527 CYS N N 527 128.663 128.663 128.197 0.466 18840 5457 1 16 . 1 1 527 527 CYS HA H 527 4.931 4.931 5.097 -0.166 18840 5458 1 16 . 1 1 527 527 CYS C C 527 174.052 174.052 174.520 -0.468 18840 5459 1 16 . 1 1 527 527 CYS CA C 527 58.267 58.267 56.587 1.680 18840 5460 1 16 . 1 1 527 527 CYS CB C 527 31.075 31.075 29.455 1.620 18840 5461 1 16 . 1 1 527 527 CYS H H 527 7.723 7.723 8.336 -0.613 18840 5462 1 16 . 1 1 528 528 ARG N N 528 125.354 125.354 125.955 -0.601 18840 5463 1 16 . 1 1 528 528 ARG HA H 528 4.148 4.148 4.600 -0.452 18840 5464 1 16 . 1 1 528 528 ARG C C 528 175.406 175.406 176.225 -0.819 18840 5465 1 16 . 1 1 528 528 ARG CA C 528 55.971 55.971 55.029 0.942 18840 5466 1 16 . 1 1 528 528 ARG CB C 528 31.165 31.165 29.882 1.283 18840 5467 1 16 . 1 1 528 528 ARG H H 528 8.866 8.866 8.598 0.268 18840 5468 1 16 . 1 1 529 529 ASP N N 529 124.001 124.001 121.253 2.748 18840 5469 1 16 . 1 1 529 529 ASP HA H 529 4.203 4.203 4.460 -0.257 18840 5470 1 16 . 1 1 529 529 ASP C C 529 178.105 178.105 176.546 1.559 18840 5471 1 16 . 1 1 529 529 ASP CA C 529 56.288 56.288 54.244 2.044 18840 5472 1 16 . 1 1 529 529 ASP CB C 529 43.574 43.574 42.036 1.538 18840 5473 1 16 . 1 1 529 529 ASP H H 529 8.198 8.198 7.418 0.780 18840 5474 1 16 . 1 1 530 530 GLN N N 530 125.372 125.372 121.009 4.363 18840 5475 1 16 . 1 1 530 530 GLN HA H 530 3.894 3.894 4.021 -0.127 18840 5476 1 16 . 1 1 530 530 GLN C C 530 177.471 177.471 177.177 0.294 18840 5477 1 16 . 1 1 530 530 GLN CA C 530 59.159 59.159 58.046 1.113 18840 5478 1 16 . 1 1 530 530 GLN CB C 530 28.731 28.731 28.477 0.254 18840 5479 1 16 . 1 1 530 530 GLN H H 530 8.746 8.746 8.563 0.183 18840 5480 1 16 . 1 1 531 531 VAL N N 531 113.137 113.137 117.563 -4.426 18840 5481 1 16 . 1 1 531 531 VAL HA H 531 4.282 4.282 3.806 0.476 18840 5482 1 16 . 1 1 531 531 VAL C C 531 176.295 176.295 176.886 -0.591 18840 5483 1 16 . 1 1 531 531 VAL CA C 531 63.324 63.324 65.198 -1.873 18840 5484 1 16 . 1 1 531 531 VAL CB C 531 31.457 31.457 32.269 -0.812 18840 5485 1 16 . 1 1 531 531 VAL H H 531 8.659 8.659 8.542 0.117 18840 5486 1 16 . 1 1 532 532 CYS N N 532 121.034 121.034 115.785 5.249 18840 5487 1 16 . 1 1 532 532 CYS HA H 532 4.568 4.568 4.535 0.033 18840 5488 1 16 . 1 1 532 532 CYS C C 532 172.994 172.994 174.746 -1.752 18840 5489 1 16 . 1 1 532 532 CYS CA C 532 60.437 60.437 60.956 -0.519 18840 5490 1 16 . 1 1 532 532 CYS CB C 532 31.856 31.856 28.022 3.834 18840 5491 1 16 . 1 1 532 532 CYS H H 532 8.023 8.023 7.447 0.576 18840 5492 1 16 . 1 1 533 533 PHE N N 533 129.389 129.389 118.683 10.706 18840 5493 1 16 . 1 1 533 533 PHE HA H 533 4.197 4.197 4.127 0.070 18840 5494 1 16 . 1 1 533 533 PHE C C 533 174.830 174.830 174.149 0.681 18840 5495 1 16 . 1 1 533 533 PHE CA C 533 59.754 59.754 59.042 0.712 18840 5496 1 16 . 1 1 533 533 PHE CB C 533 38.260 38.260 37.357 0.903 18840 5497 1 16 . 1 1 533 533 PHE H H 533 7.928 7.928 8.296 -0.368 18840 5498 1 16 . 1 1 534 534 LYS N N 534 113.676 113.676 116.343 -2.667 18840 5499 1 16 . 1 1 534 534 LYS HA H 534 4.466 4.466 4.728 -0.262 18840 5500 1 16 . 1 1 534 534 LYS C C 534 173.055 173.055 174.339 -1.284 18840 5501 1 16 . 1 1 534 534 LYS CA C 534 54.068 54.068 54.133 -0.065 18840 5502 1 16 . 1 1 534 534 LYS CB C 534 37.800 37.800 36.815 0.985 18840 5503 1 16 . 1 1 534 534 LYS H H 534 6.430 6.430 7.497 -1.067 18840 5504 1 16 . 1 1 535 535 TYR N N 535 117.686 117.686 117.749 -0.063 18840 5505 1 16 . 1 1 535 535 TYR HA H 535 5.165 5.165 5.342 -0.177 18840 5506 1 16 . 1 1 535 535 TYR C C 535 175.888 175.888 175.407 0.481 18840 5507 1 16 . 1 1 535 535 TYR CA C 535 58.593 58.593 57.374 1.219 18840 5508 1 16 . 1 1 535 535 TYR CB C 535 40.020 40.020 39.925 0.095 18840 5509 1 16 . 1 1 535 535 TYR H H 535 7.145 7.145 8.750 -1.605 18840 5510 1 16 . 1 1 536 536 PHE N N 536 117.497 117.497 118.416 -0.919 18840 5511 1 16 . 1 1 536 536 PHE HA H 536 6.399 6.399 5.242 1.157 18840 5512 1 16 . 1 1 536 536 PHE C C 536 177.127 177.127 175.368 1.759 18840 5513 1 16 . 1 1 536 536 PHE CA C 536 57.056 57.056 56.850 0.206 18840 5514 1 16 . 1 1 536 536 PHE CB C 536 45.217 45.217 43.853 1.364 18840 5515 1 16 . 1 1 536 536 PHE H H 536 9.608 9.608 9.277 0.331 18840 5516 1 16 . 1 1 537 537 CYS N N 537 119.624 119.624 120.901 -1.277 18840 5517 1 16 . 1 1 537 537 CYS HA H 537 5.499 5.499 5.042 0.457 18840 5518 1 16 . 1 1 537 537 CYS C C 537 176.128 176.128 176.183 -0.055 18840 5519 1 16 . 1 1 537 537 CYS CA C 537 58.097 58.097 58.430 -0.333 18840 5520 1 16 . 1 1 537 537 CYS CB C 537 32.306 32.306 29.803 2.503 18840 5521 1 16 . 1 1 537 537 CYS H H 537 9.777 9.777 9.066 0.711 18840 5522 1 16 . 1 1 538 538 ARG N N 538 120.573 120.573 122.360 -1.787 18840 5523 1 16 . 1 1 538 538 ARG HA H 538 3.791 3.791 4.053 -0.262 18840 5524 1 16 . 1 1 538 538 ARG C C 538 178.403 178.403 178.024 0.379 18840 5525 1 16 . 1 1 538 538 ARG CA C 538 60.937 60.937 60.927 0.010 18840 5526 1 16 . 1 1 538 538 ARG CB C 538 30.392 30.392 30.220 0.172 18840 5527 1 16 . 1 1 538 538 ARG H H 538 9.375 9.375 9.116 0.259 18840 5528 1 16 . 1 1 539 539 SER N N 539 114.562 114.562 113.357 1.205 18840 5529 1 16 . 1 1 539 539 SER HA H 539 4.491 4.491 4.398 0.093 18840 5530 1 16 . 1 1 539 539 SER C C 539 178.610 178.610 176.308 2.302 18840 5531 1 16 . 1 1 539 539 SER CA C 539 62.159 62.159 61.167 0.992 18840 5532 1 16 . 1 1 539 539 SER CB C 539 62.934 62.934 63.047 -0.113 18840 5533 1 16 . 1 1 539 539 SER H H 539 8.549 8.549 8.642 -0.093 18840 5534 1 16 . 1 1 540 540 CYS N N 540 126.990 126.990 121.874 5.116 18840 5535 1 16 . 1 1 540 540 CYS HA H 540 4.454 4.454 4.596 -0.142 18840 5536 1 16 . 1 1 540 540 CYS C C 540 178.546 178.546 177.106 1.440 18840 5537 1 16 . 1 1 540 540 CYS CA C 540 65.024 65.024 61.921 3.103 18840 5538 1 16 . 1 1 540 540 CYS CB C 540 30.747 30.747 26.384 4.364 18840 5539 1 16 . 1 1 540 540 CYS H H 540 9.534 9.534 8.371 1.163 18840 5540 1 16 . 1 1 541 541 TRP N N 541 121.037 121.037 121.952 -0.915 18840 5541 1 16 . 1 1 541 541 TRP HA H 541 3.319 3.319 4.205 -0.886 18840 5542 1 16 . 1 1 541 541 TRP C C 541 179.671 179.671 178.470 1.201 18840 5543 1 16 . 1 1 541 541 TRP CA C 541 62.783 62.783 60.762 2.021 18840 5544 1 16 . 1 1 541 541 TRP CB C 541 27.747 27.747 28.916 -1.169 18840 5545 1 16 . 1 1 541 541 TRP H H 541 9.632 9.632 8.973 0.659 18840 5546 1 16 . 1 1 542 542 HIS N N 542 119.251 119.251 119.901 -0.650 18840 5547 1 16 . 1 1 542 542 HIS HA H 542 4.330 4.330 4.304 0.026 18840 5548 1 16 . 1 1 542 542 HIS C C 542 177.291 177.291 175.806 1.485 18840 5549 1 16 . 1 1 542 542 HIS CA C 542 59.909 59.909 60.307 -0.398 18840 5550 1 16 . 1 1 542 542 HIS CB C 542 30.594 30.594 30.145 0.449 18840 5551 1 16 . 1 1 542 542 HIS H H 542 8.073 8.073 7.905 0.168 18840 5552 1 16 . 1 1 543 543 TRP N N 543 121.212 121.212 119.797 1.415 18840 5553 1 16 . 1 1 543 543 TRP HA H 543 4.231 4.231 4.313 -0.082 18840 5554 1 16 . 1 1 543 543 TRP C C 543 178.256 178.256 178.722 -0.466 18840 5555 1 16 . 1 1 543 543 TRP CA C 543 60.959 60.959 60.007 0.952 18840 5556 1 16 . 1 1 543 543 TRP CB C 543 28.593 28.593 29.739 -1.146 18840 5557 1 16 . 1 1 543 543 TRP H H 543 8.200 8.200 8.091 0.109 18840 5558 1 16 . 1 1 544 544 ARG N N 544 118.044 118.044 120.101 -2.057 18840 5559 1 16 . 1 1 544 544 ARG HA H 544 3.199 3.199 3.573 -0.374 18840 5560 1 16 . 1 1 544 544 ARG C C 544 176.093 176.093 178.000 -1.907 18840 5561 1 16 . 1 1 544 544 ARG CA C 544 57.149 57.149 58.138 -0.989 18840 5562 1 16 . 1 1 544 544 ARG CB C 544 29.942 29.942 29.203 0.739 18840 5563 1 16 . 1 1 544 544 ARG H H 544 8.194 8.194 8.238 -0.044 18840 5564 1 16 . 1 1 545 545 HIS N N 545 109.049 109.049 114.842 -5.793 18840 5565 1 16 . 1 1 545 545 HIS HA H 545 3.781 3.781 4.272 -0.491 18840 5566 1 16 . 1 1 545 545 HIS C C 545 173.247 173.247 174.956 -1.709 18840 5567 1 16 . 1 1 545 545 HIS CA C 545 58.848 58.848 56.020 2.828 18840 5568 1 16 . 1 1 545 545 HIS CB C 545 25.314 25.314 28.809 -3.495 18840 5569 1 16 . 1 1 545 545 HIS H H 545 7.410 7.410 7.529 -0.119 18840 5570 1 16 . 1 1 546 546 SER N N 546 112.353 112.353 114.230 -1.877 18840 5571 1 16 . 1 1 546 546 SER HA H 546 4.336 4.336 4.056 0.280 18840 5572 1 16 . 1 1 546 546 SER C C 546 174.714 174.714 174.600 0.114 18840 5573 1 16 . 1 1 546 546 SER CA C 546 59.042 59.042 59.059 -0.017 18840 5574 1 16 . 1 1 546 546 SER CB C 546 63.464 63.464 63.046 0.418 18840 5575 1 16 . 1 1 546 546 SER H H 546 6.948 6.948 7.053 -0.105 18840 5576 1 16 . 1 1 547 547 MET N N 547 121.366 121.366 121.388 -0.022 18840 5577 1 16 . 1 1 547 547 MET HA H 547 4.188 4.188 4.243 -0.055 18840 5578 1 16 . 1 1 547 547 MET C C 547 175.421 175.421 176.198 -0.777 18840 5579 1 16 . 1 1 547 547 MET CA C 547 55.504 55.504 54.364 1.141 18840 5580 1 16 . 1 1 547 547 MET CB C 547 33.318 33.318 32.350 0.968 18840 5581 1 16 . 1 1 547 547 MET H H 547 6.821 6.821 7.343 -0.522 18840 5582 1 16 . 1 1 548 548 GLU N N 548 122.898 122.898 123.862 -0.964 18840 5583 1 16 . 1 1 548 548 GLU HA H 548 3.807 3.807 4.082 -0.275 18840 5584 1 16 . 1 1 548 548 GLU C C 548 176.918 176.918 177.251 -0.333 18840 5585 1 16 . 1 1 548 548 GLU CA C 548 58.746 58.746 58.092 0.654 18840 5586 1 16 . 1 1 548 548 GLU CB C 548 29.505 29.505 29.835 -0.330 18840 5587 1 16 . 1 1 548 548 GLU H H 548 8.515 8.515 8.525 -0.010 18840 5588 1 16 . 1 1 549 549 GLY N N 549 112.898 112.898 109.835 3.063 18840 5589 1 16 . 1 1 549 549 GLY C C 549 174.645 174.645 174.848 -0.203 18840 5590 1 16 . 1 1 549 549 GLY CA C 549 45.411 45.411 45.109 0.302 18840 5591 1 16 . 1 1 549 549 GLY H H 549 8.950 8.950 8.794 0.156 18840 5592 1 16 . 1 1 550 550 LEU N N 550 118.164 118.164 119.649 -1.485 18840 5593 1 16 . 1 1 550 550 LEU HA H 550 3.928 3.928 4.423 -0.495 18840 5594 1 16 . 1 1 550 550 LEU C C 550 177.030 177.030 177.337 -0.307 18840 5595 1 16 . 1 1 550 550 LEU CA C 550 54.291 54.291 53.849 0.442 18840 5596 1 16 . 1 1 550 550 LEU CB C 550 42.968 42.968 41.604 1.364 18840 5597 1 16 . 1 1 550 550 LEU H H 550 7.702 7.702 7.323 0.379 18840 5598 1 16 . 1 1 551 551 ARG N N 551 115.914 115.914 118.870 -2.956 18840 5599 1 16 . 1 1 551 551 ARG HA H 551 4.405 4.405 4.065 0.340 18840 5600 1 16 . 1 1 551 551 ARG C C 551 177.206 177.206 176.476 0.730 18840 5601 1 16 . 1 1 551 551 ARG CA C 551 58.406 58.406 57.949 0.457 18840 5602 1 16 . 1 1 551 551 ARG CB C 551 30.360 30.360 29.506 0.854 18840 5603 1 16 . 1 1 551 551 ARG H H 551 7.299 7.299 8.280 -0.981 18840 5604 1 16 . 1 1 552 552 HIS N N 552 113.766 113.766 115.114 -1.348 18840 5605 1 16 . 1 1 552 552 HIS HA H 552 4.692 4.692 4.725 -0.033 18840 5606 1 16 . 1 1 552 552 HIS C C 552 175.959 175.959 174.527 1.432 18840 5607 1 16 . 1 1 552 552 HIS CA C 552 56.223 56.223 54.974 1.250 18840 5608 1 16 . 1 1 552 552 HIS CB C 552 30.228 30.228 29.191 1.037 18840 5609 1 16 . 1 1 552 552 HIS H H 552 8.480 8.480 8.199 0.281 18840 5610 1 16 . 1 1 553 553 HIS N N 553 122.502 122.502 120.596 1.906 18840 5611 1 16 . 1 1 553 553 HIS HA H 553 4.459 4.459 4.408 0.051 18840 5612 1 16 . 1 1 553 553 HIS C C 553 174.820 174.820 174.402 0.418 18840 5613 1 16 . 1 1 553 553 HIS CA C 553 55.553 55.553 56.150 -0.597 18840 5614 1 16 . 1 1 553 553 HIS CB C 553 31.320 31.320 30.578 0.742 18840 5615 1 16 . 1 1 553 553 HIS H H 553 6.954 6.954 7.376 -0.422 18840 5616 1 16 . 1 1 554 554 SER N N 554 117.586 117.586 116.155 1.431 18840 5617 1 16 . 1 1 554 554 SER HA H 554 5.128 5.128 4.872 0.256 18840 5618 1 16 . 1 1 554 554 SER CA C 554 55.199 55.199 55.390 -0.191 18840 5619 1 16 . 1 1 554 554 SER CB C 554 64.833 64.833 65.330 -0.497 18840 5620 1 16 . 1 1 554 554 SER H H 554 8.668 8.668 8.197 0.471 18840 5621 1 16 . 1 1 555 555 PRO HA H 555 4.296 4.296 4.884 -0.588 18840 5622 1 16 . 1 1 555 555 PRO C C 555 176.447 176.447 177.293 -0.846 18840 5623 1 16 . 1 1 555 555 PRO CA C 555 63.029 63.029 62.354 0.675 18840 5624 1 16 . 1 1 555 555 PRO CB C 555 31.779 31.779 32.222 -0.443 18840 5625 1 16 . 1 1 556 556 LEU N N 556 123.469 123.469 116.877 6.592 18840 5626 1 16 . 1 1 556 556 LEU HA H 556 4.788 4.788 4.679 0.109 18840 5627 1 16 . 1 1 556 556 LEU C C 556 176.176 176.176 177.008 -0.832 18840 5628 1 16 . 1 1 556 556 LEU CA C 556 54.247 54.247 53.753 0.494 18840 5629 1 16 . 1 1 556 556 LEU CB C 556 44.237 44.237 40.580 3.657 18840 5630 1 16 . 1 1 556 556 LEU H H 556 8.802 8.802 8.070 0.732 18840 5631 1 16 . 1 1 557 557 MET N N 557 122.362 122.362 120.453 1.909 18840 5632 1 16 . 1 1 557 557 MET HA H 557 4.983 4.983 4.381 0.602 18840 5633 1 16 . 1 1 557 557 MET C C 557 175.983 175.983 176.308 -0.325 18840 5634 1 16 . 1 1 557 557 MET CA C 557 54.641 54.641 55.296 -0.655 18840 5635 1 16 . 1 1 557 557 MET CB C 557 34.181 34.181 32.568 1.613 18840 5636 1 16 . 1 1 557 557 MET H H 557 8.624 8.624 7.459 1.165 18840 5637 1 16 . 1 1 558 558 ARG N N 558 123.450 123.450 125.614 -2.164 18840 5638 1 16 . 1 1 558 558 ARG HA H 558 4.302 4.302 4.423 -0.121 18840 5639 1 16 . 1 1 558 558 ARG CA C 558 56.545 56.545 56.127 0.418 18840 5640 1 16 . 1 1 558 558 ARG CB C 558 31.139 31.139 30.911 0.228 18840 5641 1 16 . 1 1 558 558 ARG H H 558 8.901 8.901 8.461 0.440 18840 5642 1 16 . 1 1 559 559 ASN HA H 559 4.642 4.642 4.509 0.133 18840 5643 1 16 . 1 1 559 559 ASN CA C 559 53.286 53.286 54.438 -1.153 18840 5644 1 16 . 1 1 559 559 ASN CB C 559 38.877 38.877 38.950 -0.073 18840 5645 1 16 . 1 1 560 560 GLN N N 560 121.173 121.173 117.932 3.241 18840 5646 1 16 . 1 1 560 560 GLN HA H 560 4.308 4.308 4.109 0.199 18840 5647 1 16 . 1 1 560 560 GLN C C 560 175.883 175.883 174.508 1.375 18840 5648 1 16 . 1 1 560 560 GLN CA C 560 56.023 56.023 56.191 -0.168 18840 5649 1 16 . 1 1 560 560 GLN CB C 560 29.702 29.702 27.103 2.599 18840 5650 1 16 . 1 1 560 560 GLN H H 560 8.284 8.284 8.243 0.041 18840 5651 1 16 . 1 1 561 561 LYS N N 561 122.223 122.223 121.122 1.101 18840 5652 1 16 . 1 1 561 561 LYS HA H 561 4.267 4.267 4.239 0.028 18840 5653 1 16 . 1 1 561 561 LYS C C 561 176.349 176.349 176.846 -0.497 18840 5654 1 16 . 1 1 561 561 LYS CA C 561 56.659 56.659 56.261 0.398 18840 5655 1 16 . 1 1 561 561 LYS CB C 561 32.966 32.966 33.055 -0.089 18840 5656 1 16 . 1 1 561 561 LYS H H 561 8.350 8.350 7.943 0.407 18840 5657 1 16 . 1 1 562 562 ASN N N 562 119.683 119.683 121.443 -1.760 18840 5658 1 16 . 1 1 562 562 ASN HA H 562 4.681 4.681 4.673 0.008 18840 5659 1 16 . 1 1 562 562 ASN C C 562 175.298 175.298 175.269 0.029 18840 5660 1 16 . 1 1 562 562 ASN CA C 562 53.375 53.375 53.087 0.288 18840 5661 1 16 . 1 1 562 562 ASN CB C 562 38.920 38.920 39.187 -0.267 18840 5662 1 16 . 1 1 562 562 ASN H H 562 8.440 8.440 8.408 0.032 18840 5663 1 16 . 1 1 563 563 ARG N N 563 121.405 121.405 120.562 0.843 18840 5664 1 16 . 1 1 563 563 ARG HA H 563 4.315 4.315 4.265 0.050 18840 5665 1 16 . 1 1 563 563 ARG C C 563 176.088 176.088 176.160 -0.072 18840 5666 1 16 . 1 1 563 563 ARG CA C 563 56.489 56.489 56.577 -0.088 18840 5667 1 16 . 1 1 563 563 ARG CB C 563 30.775 30.775 30.775 -0.000 18840 5668 1 16 . 1 1 563 563 ARG H H 563 8.333 8.333 8.478 -0.145 18840 5669 1 16 . 1 1 564 564 ASP N N 564 121.203 121.203 123.377 -2.174 18840 5670 1 16 . 1 1 564 564 ASP HA H 564 4.667 4.667 4.640 0.027 18840 5671 1 16 . 1 1 564 564 ASP C C 564 176.148 176.148 175.721 0.427 18840 5672 1 16 . 1 1 564 564 ASP CA C 564 54.597 54.597 54.797 -0.200 18840 5673 1 16 . 1 1 564 564 ASP CB C 564 41.249 41.249 41.278 -0.029 18840 5674 1 16 . 1 1 564 564 ASP H H 564 8.387 8.387 8.802 -0.415 18840 5675 1 16 . 1 1 565 565 SER N N 565 116.058 116.058 113.027 3.031 18840 5676 1 16 . 1 1 565 565 SER HA H 565 4.528 4.528 4.573 -0.045 18840 5677 1 16 . 1 1 565 565 SER C C 565 173.755 173.755 173.511 0.244 18840 5678 1 16 . 1 1 565 565 SER CA C 565 58.266 58.266 57.471 0.795 18840 5679 1 16 . 1 1 565 565 SER CB C 565 64.077 64.077 64.757 -0.680 18840 5680 1 16 . 1 1 565 565 SER H H 565 8.186 8.186 7.723 0.463 18840 5681 1 17 . 1 1 503 503 PRO HA H 503 4.533 4.533 4.656 -0.123 18840 5682 1 17 . 1 1 503 503 PRO C C 503 176.777 176.777 176.080 0.697 18840 5683 1 17 . 1 1 503 503 PRO CA C 503 62.962 62.962 62.645 0.317 18840 5684 1 17 . 1 1 503 503 PRO CB C 503 32.403 32.403 32.814 -0.411 18840 5685 1 17 . 1 1 504 504 VAL N N 504 120.734 120.734 121.007 -0.273 18840 5686 1 17 . 1 1 504 504 VAL HA H 504 4.102 4.102 4.294 -0.192 18840 5687 1 17 . 1 1 504 504 VAL C C 504 175.887 175.887 176.021 -0.134 18840 5688 1 17 . 1 1 504 504 VAL CA C 504 62.483 62.483 62.245 0.238 18840 5689 1 17 . 1 1 504 504 VAL CB C 504 32.864 32.864 34.273 -1.409 18840 5690 1 17 . 1 1 504 504 VAL H H 504 8.290 8.290 8.212 0.078 18840 5691 1 17 . 1 1 505 505 GLN N N 505 125.069 125.069 127.362 -2.293 18840 5692 1 17 . 1 1 505 505 GLN HA H 505 4.430 4.430 4.405 0.025 18840 5693 1 17 . 1 1 505 505 GLN C C 505 175.207 175.207 175.723 -0.516 18840 5694 1 17 . 1 1 505 505 GLN CA C 505 55.476 55.476 57.309 -1.833 18840 5695 1 17 . 1 1 505 505 GLN CB C 505 29.918 29.918 29.343 0.575 18840 5696 1 17 . 1 1 505 505 GLN H H 505 8.450 8.450 8.624 -0.174 18840 5697 1 17 . 1 1 506 506 ILE N N 506 123.121 123.121 117.244 5.877 18840 5698 1 17 . 1 1 506 506 ILE HA H 506 4.303 4.303 4.201 0.102 18840 5699 1 17 . 1 1 506 506 ILE C C 506 175.607 175.607 173.663 1.944 18840 5700 1 17 . 1 1 506 506 ILE CA C 506 60.346 60.346 61.082 -0.736 18840 5701 1 17 . 1 1 506 506 ILE CB C 506 39.046 39.046 39.201 -0.155 18840 5702 1 17 . 1 1 506 506 ILE H H 506 8.259 8.259 7.413 0.846 18840 5703 1 17 . 1 1 507 507 ASP N N 507 126.258 126.258 127.227 -0.969 18840 5704 1 17 . 1 1 507 507 ASP HA H 507 4.909 4.909 4.846 0.063 18840 5705 1 17 . 1 1 507 507 ASP CA C 507 51.929 51.929 51.523 0.406 18840 5706 1 17 . 1 1 507 507 ASP CB C 507 41.712 41.712 41.875 -0.163 18840 5707 1 17 . 1 1 507 507 ASP H H 507 8.419 8.419 8.138 0.281 18840 5708 1 17 . 1 1 508 508 PRO HA H 508 4.304 4.304 4.178 0.126 18840 5709 1 17 . 1 1 508 508 PRO C C 508 176.539 176.539 176.288 0.251 18840 5710 1 17 . 1 1 508 508 PRO CA C 508 63.271 63.271 62.859 0.412 18840 5711 1 17 . 1 1 508 508 PRO CB C 508 32.117 32.117 31.986 0.131 18840 5712 1 17 . 1 1 509 509 TYR N N 509 119.278 119.278 113.315 5.963 18840 5713 1 17 . 1 1 509 509 TYR HA H 509 4.486 4.486 4.035 0.452 18840 5714 1 17 . 1 1 509 509 TYR C C 509 175.814 175.814 174.442 1.372 18840 5715 1 17 . 1 1 509 509 TYR CA C 509 57.945 57.945 59.453 -1.508 18840 5716 1 17 . 1 1 509 509 TYR CB C 509 37.723 37.723 35.803 1.920 18840 5717 1 17 . 1 1 509 509 TYR H H 509 8.218 8.218 8.223 -0.005 18840 5718 1 17 . 1 1 510 510 LEU N N 510 122.827 122.827 117.881 4.946 18840 5719 1 17 . 1 1 510 510 LEU HA H 510 4.254 4.254 4.568 -0.314 18840 5720 1 17 . 1 1 510 510 LEU C C 510 176.689 176.689 175.909 0.780 18840 5721 1 17 . 1 1 510 510 LEU CA C 510 54.934 54.934 54.472 0.462 18840 5722 1 17 . 1 1 510 510 LEU CB C 510 42.647 42.647 44.906 -2.259 18840 5723 1 17 . 1 1 510 510 LEU H H 510 7.655 7.655 7.509 0.146 18840 5724 1 17 . 1 1 511 511 GLU N N 511 120.110 120.110 122.117 -2.007 18840 5725 1 17 . 1 1 511 511 GLU HA H 511 4.234 4.234 4.406 -0.172 18840 5726 1 17 . 1 1 511 511 GLU CA C 511 55.912 55.912 57.327 -1.415 18840 5727 1 17 . 1 1 511 511 GLU CB C 511 31.398 31.398 30.879 0.519 18840 5728 1 17 . 1 1 511 511 GLU H H 511 8.223 8.223 9.019 -0.796 18840 5729 1 17 . 1 1 512 512 ASP N N 512 120.430 120.430 122.307 -1.877 18840 5730 1 17 . 1 1 512 512 ASP HA H 512 4.439 4.439 4.776 -0.337 18840 5731 1 17 . 1 1 512 512 ASP C C 512 175.742 175.742 175.054 0.688 18840 5732 1 17 . 1 1 512 512 ASP CA C 512 54.405 54.405 53.464 0.941 18840 5733 1 17 . 1 1 512 512 ASP CB C 512 40.977 40.977 39.744 1.233 18840 5734 1 17 . 1 1 512 512 ASP H H 512 8.258 8.258 8.520 -0.262 18840 5735 1 17 . 1 1 513 513 SER N N 513 116.712 116.712 117.108 -0.396 18840 5736 1 17 . 1 1 513 513 SER HA H 513 4.282 4.282 4.520 -0.238 18840 5737 1 17 . 1 1 513 513 SER C C 513 174.628 174.628 173.860 0.768 18840 5738 1 17 . 1 1 513 513 SER CA C 513 57.783 57.783 57.659 0.124 18840 5739 1 17 . 1 1 513 513 SER CB C 513 64.481 64.481 63.875 0.606 18840 5740 1 17 . 1 1 513 513 SER H H 513 8.004 8.004 7.822 0.182 18840 5741 1 17 . 1 1 514 514 LEU N N 514 124.291 124.291 125.382 -1.091 18840 5742 1 17 . 1 1 514 514 LEU HA H 514 4.360 4.360 4.287 0.073 18840 5743 1 17 . 1 1 514 514 LEU C C 514 176.422 176.422 176.651 -0.229 18840 5744 1 17 . 1 1 514 514 LEU CA C 514 54.896 54.896 54.708 0.188 18840 5745 1 17 . 1 1 514 514 LEU CB C 514 43.711 43.711 42.210 1.501 18840 5746 1 17 . 1 1 514 514 LEU H H 514 8.248 8.248 8.509 -0.261 18840 5747 1 17 . 1 1 515 515 CYS N N 515 121.802 121.802 124.609 -2.807 18840 5748 1 17 . 1 1 515 515 CYS HA H 515 3.818 3.818 4.472 -0.654 18840 5749 1 17 . 1 1 515 515 CYS C C 515 177.418 177.418 176.807 0.611 18840 5750 1 17 . 1 1 515 515 CYS CA C 515 60.542 60.542 58.848 1.694 18840 5751 1 17 . 1 1 515 515 CYS CB C 515 31.859 31.859 27.720 4.139 18840 5752 1 17 . 1 1 515 515 CYS H H 515 8.418 8.418 8.534 -0.116 18840 5753 1 17 . 1 1 516 516 HIS N N 516 129.671 129.671 127.838 1.833 18840 5754 1 17 . 1 1 516 516 HIS HA H 516 4.497 4.497 4.393 0.104 18840 5755 1 17 . 1 1 516 516 HIS C C 516 175.845 175.845 174.938 0.907 18840 5756 1 17 . 1 1 516 516 HIS CA C 516 58.672 58.672 57.266 1.406 18840 5757 1 17 . 1 1 516 516 HIS CB C 516 31.910 31.910 28.776 3.134 18840 5758 1 17 . 1 1 516 516 HIS H H 516 9.149 9.149 9.210 -0.061 18840 5759 1 17 . 1 1 517 517 ILE N N 517 121.766 121.766 118.257 3.509 18840 5760 1 17 . 1 1 517 517 ILE HA H 517 4.170 4.170 3.740 0.430 18840 5761 1 17 . 1 1 517 517 ILE C C 517 177.448 177.448 177.337 0.111 18840 5762 1 17 . 1 1 517 517 ILE CA C 517 61.900 61.900 61.937 -0.037 18840 5763 1 17 . 1 1 517 517 ILE CB C 517 35.256 35.256 37.107 -1.851 18840 5764 1 17 . 1 1 517 517 ILE H H 517 9.347 9.347 7.459 1.888 18840 5765 1 17 . 1 1 518 518 CYS N N 518 118.774 118.774 114.545 4.229 18840 5766 1 17 . 1 1 518 518 CYS HA H 518 4.772 4.772 4.535 0.237 18840 5767 1 17 . 1 1 518 518 CYS C C 518 176.883 176.883 175.707 1.176 18840 5768 1 17 . 1 1 518 518 CYS CA C 518 59.309 59.309 58.575 0.734 18840 5769 1 17 . 1 1 518 518 CYS CB C 518 31.994 31.994 29.623 2.371 18840 5770 1 17 . 1 1 518 518 CYS H H 518 8.564 8.564 8.135 0.429 18840 5771 1 17 . 1 1 519 519 SER N N 519 116.362 116.362 116.410 -0.048 18840 5772 1 17 . 1 1 519 519 SER HA H 519 4.403 4.403 4.155 0.248 18840 5773 1 17 . 1 1 519 519 SER C C 519 174.258 174.258 174.401 -0.143 18840 5774 1 17 . 1 1 519 519 SER CA C 519 60.236 60.236 59.337 0.899 18840 5775 1 17 . 1 1 519 519 SER CB C 519 62.727 62.727 61.470 1.257 18840 5776 1 17 . 1 1 519 519 SER H H 519 7.619 7.619 8.779 -1.160 18840 5777 1 17 . 1 1 520 520 SER N N 520 113.506 113.506 113.875 -0.369 18840 5778 1 17 . 1 1 520 520 SER HA H 520 4.832 4.832 4.433 0.399 18840 5779 1 17 . 1 1 520 520 SER C C 520 172.953 172.953 173.790 -0.837 18840 5780 1 17 . 1 1 520 520 SER CA C 520 58.849 58.849 58.667 0.182 18840 5781 1 17 . 1 1 520 520 SER CB C 520 65.701 65.701 64.293 1.408 18840 5782 1 17 . 1 1 520 520 SER H H 520 8.328 8.328 8.135 0.193 18840 5783 1 17 . 1 1 521 521 GLN N N 521 118.652 118.652 118.276 0.376 18840 5784 1 17 . 1 1 521 521 GLN HA H 521 4.932 4.932 4.791 0.141 18840 5785 1 17 . 1 1 521 521 GLN CA C 521 52.845 52.845 53.632 -0.787 18840 5786 1 17 . 1 1 521 521 GLN CB C 521 30.606 30.606 29.166 1.440 18840 5787 1 17 . 1 1 521 521 GLN H H 521 7.416 7.416 7.752 -0.336 18840 5788 1 17 . 1 1 522 522 PRO HA H 522 4.415 4.415 4.931 -0.516 18840 5789 1 17 . 1 1 522 522 PRO C C 522 175.086 175.086 177.031 -1.945 18840 5790 1 17 . 1 1 522 522 PRO CA C 522 63.782 63.782 62.567 1.215 18840 5791 1 17 . 1 1 522 522 PRO CB C 522 32.536 32.536 32.351 0.185 18840 5792 1 17 . 1 1 523 523 GLY N N 523 110.217 110.217 109.565 0.652 18840 5793 1 17 . 1 1 523 523 GLY CA C 523 46.095 46.095 42.881 3.214 18840 5794 1 17 . 1 1 523 523 GLY H H 523 8.909 8.909 8.051 0.858 18840 5795 1 17 . 1 1 524 524 PRO HA H 524 4.457 4.457 4.147 0.310 18840 5796 1 17 . 1 1 524 524 PRO C C 524 176.040 176.040 176.128 -0.088 18840 5797 1 17 . 1 1 524 524 PRO CA C 524 63.115 63.115 63.251 -0.136 18840 5798 1 17 . 1 1 524 524 PRO CB C 524 32.830 32.830 32.183 0.647 18840 5799 1 17 . 1 1 525 525 PHE N N 525 116.223 116.223 118.742 -2.519 18840 5800 1 17 . 1 1 525 525 PHE HA H 525 5.039 5.039 4.582 0.457 18840 5801 1 17 . 1 1 525 525 PHE C C 525 174.437 174.437 174.565 -0.128 18840 5802 1 17 . 1 1 525 525 PHE CA C 525 56.080 56.080 57.519 -1.439 18840 5803 1 17 . 1 1 525 525 PHE CB C 525 39.780 39.780 40.127 -0.347 18840 5804 1 17 . 1 1 525 525 PHE H H 525 8.148 8.148 7.541 0.607 18840 5805 1 17 . 1 1 526 526 PHE N N 526 125.861 125.861 123.803 2.058 18840 5806 1 17 . 1 1 526 526 PHE HA H 526 5.102 5.102 5.636 -0.534 18840 5807 1 17 . 1 1 526 526 PHE C C 526 175.221 175.221 174.290 0.931 18840 5808 1 17 . 1 1 526 526 PHE CA C 526 56.865 56.865 56.282 0.583 18840 5809 1 17 . 1 1 526 526 PHE CB C 526 41.661 41.661 42.166 -0.506 18840 5810 1 17 . 1 1 526 526 PHE H H 526 9.522 9.522 8.533 0.989 18840 5811 1 17 . 1 1 527 527 CYS N N 527 128.663 128.663 127.977 0.686 18840 5812 1 17 . 1 1 527 527 CYS HA H 527 4.931 4.931 5.123 -0.192 18840 5813 1 17 . 1 1 527 527 CYS C C 527 174.052 174.052 174.629 -0.577 18840 5814 1 17 . 1 1 527 527 CYS CA C 527 58.267 58.267 56.620 1.647 18840 5815 1 17 . 1 1 527 527 CYS CB C 527 31.075 31.075 29.740 1.335 18840 5816 1 17 . 1 1 527 527 CYS H H 527 7.723 7.723 8.465 -0.742 18840 5817 1 17 . 1 1 528 528 ARG N N 528 125.354 125.354 125.694 -0.340 18840 5818 1 17 . 1 1 528 528 ARG HA H 528 4.148 4.148 4.685 -0.537 18840 5819 1 17 . 1 1 528 528 ARG C C 528 175.406 175.406 176.284 -0.878 18840 5820 1 17 . 1 1 528 528 ARG CA C 528 55.971 55.971 55.092 0.879 18840 5821 1 17 . 1 1 528 528 ARG CB C 528 31.165 31.165 30.074 1.091 18840 5822 1 17 . 1 1 528 528 ARG H H 528 8.866 8.866 8.632 0.234 18840 5823 1 17 . 1 1 529 529 ASP N N 529 124.001 124.001 121.626 2.375 18840 5824 1 17 . 1 1 529 529 ASP HA H 529 4.203 4.203 4.507 -0.304 18840 5825 1 17 . 1 1 529 529 ASP C C 529 178.105 178.105 177.164 0.941 18840 5826 1 17 . 1 1 529 529 ASP CA C 529 56.288 56.288 53.934 2.354 18840 5827 1 17 . 1 1 529 529 ASP CB C 529 43.574 43.574 42.491 1.083 18840 5828 1 17 . 1 1 529 529 ASP H H 529 8.198 8.198 7.442 0.756 18840 5829 1 17 . 1 1 530 530 GLN N N 530 125.372 125.372 121.620 3.752 18840 5830 1 17 . 1 1 530 530 GLN HA H 530 3.894 3.894 3.996 -0.102 18840 5831 1 17 . 1 1 530 530 GLN C C 530 177.471 177.471 176.530 0.941 18840 5832 1 17 . 1 1 530 530 GLN CA C 530 59.159 59.159 57.806 1.353 18840 5833 1 17 . 1 1 530 530 GLN CB C 530 28.731 28.731 28.322 0.409 18840 5834 1 17 . 1 1 530 530 GLN H H 530 8.746 8.746 8.587 0.159 18840 5835 1 17 . 1 1 531 531 VAL N N 531 113.137 113.137 118.332 -5.195 18840 5836 1 17 . 1 1 531 531 VAL HA H 531 4.282 4.282 3.957 0.325 18840 5837 1 17 . 1 1 531 531 VAL C C 531 176.295 176.295 177.227 -0.932 18840 5838 1 17 . 1 1 531 531 VAL CA C 531 63.324 63.324 65.529 -2.205 18840 5839 1 17 . 1 1 531 531 VAL CB C 531 31.457 31.457 32.115 -0.658 18840 5840 1 17 . 1 1 531 531 VAL H H 531 8.659 8.659 8.755 -0.096 18840 5841 1 17 . 1 1 532 532 CYS N N 532 121.034 121.034 116.938 4.096 18840 5842 1 17 . 1 1 532 532 CYS HA H 532 4.568 4.568 4.714 -0.146 18840 5843 1 17 . 1 1 532 532 CYS C C 532 172.994 172.994 174.552 -1.558 18840 5844 1 17 . 1 1 532 532 CYS CA C 532 60.437 60.437 60.517 -0.080 18840 5845 1 17 . 1 1 532 532 CYS CB C 532 31.856 31.856 28.715 3.141 18840 5846 1 17 . 1 1 532 532 CYS H H 532 8.023 8.023 7.525 0.498 18840 5847 1 17 . 1 1 533 533 PHE N N 533 129.389 129.389 119.913 9.476 18840 5848 1 17 . 1 1 533 533 PHE HA H 533 4.197 4.197 4.097 0.100 18840 5849 1 17 . 1 1 533 533 PHE C C 533 174.830 174.830 174.192 0.638 18840 5850 1 17 . 1 1 533 533 PHE CA C 533 59.754 59.754 58.843 0.911 18840 5851 1 17 . 1 1 533 533 PHE CB C 533 38.260 38.260 37.544 0.716 18840 5852 1 17 . 1 1 533 533 PHE H H 533 7.928 7.928 8.200 -0.272 18840 5853 1 17 . 1 1 534 534 LYS N N 534 113.676 113.676 117.792 -4.116 18840 5854 1 17 . 1 1 534 534 LYS HA H 534 4.466 4.466 4.632 -0.166 18840 5855 1 17 . 1 1 534 534 LYS C C 534 173.055 173.055 174.550 -1.495 18840 5856 1 17 . 1 1 534 534 LYS CA C 534 54.068 54.068 54.418 -0.350 18840 5857 1 17 . 1 1 534 534 LYS CB C 534 37.800 37.800 35.878 1.922 18840 5858 1 17 . 1 1 534 534 LYS H H 534 6.430 6.430 7.596 -1.165 18840 5859 1 17 . 1 1 535 535 TYR N N 535 117.686 117.686 118.007 -0.321 18840 5860 1 17 . 1 1 535 535 TYR HA H 535 5.165 5.165 5.626 -0.461 18840 5861 1 17 . 1 1 535 535 TYR C C 535 175.888 175.888 176.001 -0.113 18840 5862 1 17 . 1 1 535 535 TYR CA C 535 58.593 58.593 56.217 2.376 18840 5863 1 17 . 1 1 535 535 TYR CB C 535 40.020 40.020 39.612 0.408 18840 5864 1 17 . 1 1 535 535 TYR H H 535 7.145 7.145 8.556 -1.411 18840 5865 1 17 . 1 1 536 536 PHE N N 536 117.497 117.497 117.169 0.328 18840 5866 1 17 . 1 1 536 536 PHE HA H 536 6.399 6.399 5.089 1.310 18840 5867 1 17 . 1 1 536 536 PHE C C 536 177.127 177.127 175.201 1.926 18840 5868 1 17 . 1 1 536 536 PHE CA C 536 57.056 57.056 56.898 0.158 18840 5869 1 17 . 1 1 536 536 PHE CB C 536 45.217 45.217 44.126 1.091 18840 5870 1 17 . 1 1 536 536 PHE H H 536 9.608 9.608 9.149 0.459 18840 5871 1 17 . 1 1 537 537 CYS N N 537 119.624 119.624 120.517 -0.893 18840 5872 1 17 . 1 1 537 537 CYS HA H 537 5.499 5.499 4.960 0.539 18840 5873 1 17 . 1 1 537 537 CYS C C 537 176.128 176.128 176.172 -0.044 18840 5874 1 17 . 1 1 537 537 CYS CA C 537 58.097 58.097 58.429 -0.332 18840 5875 1 17 . 1 1 537 537 CYS CB C 537 32.306 32.306 29.633 2.673 18840 5876 1 17 . 1 1 537 537 CYS H H 537 9.777 9.777 9.180 0.597 18840 5877 1 17 . 1 1 538 538 ARG N N 538 120.573 120.573 123.731 -3.158 18840 5878 1 17 . 1 1 538 538 ARG HA H 538 3.791 3.791 3.818 -0.027 18840 5879 1 17 . 1 1 538 538 ARG C C 538 178.403 178.403 177.683 0.720 18840 5880 1 17 . 1 1 538 538 ARG CA C 538 60.937 60.937 60.806 0.131 18840 5881 1 17 . 1 1 538 538 ARG CB C 538 30.392 30.392 30.392 -0.000 18840 5882 1 17 . 1 1 538 538 ARG H H 538 9.375 9.375 9.172 0.203 18840 5883 1 17 . 1 1 539 539 SER N N 539 114.562 114.562 113.112 1.450 18840 5884 1 17 . 1 1 539 539 SER HA H 539 4.491 4.491 4.340 0.151 18840 5885 1 17 . 1 1 539 539 SER C C 539 178.610 178.610 175.880 2.730 18840 5886 1 17 . 1 1 539 539 SER CA C 539 62.159 62.159 60.991 1.168 18840 5887 1 17 . 1 1 539 539 SER CB C 539 62.934 62.934 62.612 0.321 18840 5888 1 17 . 1 1 539 539 SER H H 539 8.549 8.549 8.794 -0.245 18840 5889 1 17 . 1 1 540 540 CYS N N 540 126.990 126.990 121.799 5.191 18840 5890 1 17 . 1 1 540 540 CYS HA H 540 4.454 4.454 4.537 -0.083 18840 5891 1 17 . 1 1 540 540 CYS C C 540 178.546 178.546 177.171 1.375 18840 5892 1 17 . 1 1 540 540 CYS CA C 540 65.024 65.024 61.980 3.045 18840 5893 1 17 . 1 1 540 540 CYS CB C 540 30.747 30.747 26.284 4.463 18840 5894 1 17 . 1 1 540 540 CYS H H 540 9.534 9.534 8.276 1.258 18840 5895 1 17 . 1 1 541 541 TRP N N 541 121.037 121.037 122.091 -1.054 18840 5896 1 17 . 1 1 541 541 TRP HA H 541 3.319 3.319 4.174 -0.855 18840 5897 1 17 . 1 1 541 541 TRP C C 541 179.671 179.671 177.968 1.703 18840 5898 1 17 . 1 1 541 541 TRP CA C 541 62.783 62.783 61.291 1.492 18840 5899 1 17 . 1 1 541 541 TRP CB C 541 27.747 27.747 28.975 -1.228 18840 5900 1 17 . 1 1 541 541 TRP H H 541 9.632 9.632 8.948 0.684 18840 5901 1 17 . 1 1 542 542 HIS N N 542 119.251 119.251 117.585 1.666 18840 5902 1 17 . 1 1 542 542 HIS HA H 542 4.330 4.330 4.397 -0.067 18840 5903 1 17 . 1 1 542 542 HIS C C 542 177.291 177.291 177.989 -0.698 18840 5904 1 17 . 1 1 542 542 HIS CA C 542 59.909 59.909 59.815 0.094 18840 5905 1 17 . 1 1 542 542 HIS CB C 542 30.594 30.594 29.441 1.153 18840 5906 1 17 . 1 1 542 542 HIS H H 542 8.073 8.073 7.907 0.166 18840 5907 1 17 . 1 1 543 543 TRP N N 543 121.212 121.212 121.499 -0.287 18840 5908 1 17 . 1 1 543 543 TRP HA H 543 4.231 4.231 4.283 -0.052 18840 5909 1 17 . 1 1 543 543 TRP C C 543 178.256 178.256 178.017 0.239 18840 5910 1 17 . 1 1 543 543 TRP CA C 543 60.959 60.959 61.033 -0.074 18840 5911 1 17 . 1 1 543 543 TRP CB C 543 28.593 28.593 29.649 -1.056 18840 5912 1 17 . 1 1 543 543 TRP H H 543 8.200 8.200 8.562 -0.362 18840 5913 1 17 . 1 1 544 544 ARG N N 544 118.044 118.044 119.135 -1.091 18840 5914 1 17 . 1 1 544 544 ARG HA H 544 3.199 3.199 3.441 -0.242 18840 5915 1 17 . 1 1 544 544 ARG C C 544 176.093 176.093 178.233 -2.140 18840 5916 1 17 . 1 1 544 544 ARG CA C 544 57.149 57.149 57.419 -0.270 18840 5917 1 17 . 1 1 544 544 ARG CB C 544 29.942 29.942 29.297 0.645 18840 5918 1 17 . 1 1 544 544 ARG H H 544 8.194 8.194 8.044 0.150 18840 5919 1 17 . 1 1 545 545 HIS N N 545 109.049 109.049 116.502 -7.453 18840 5920 1 17 . 1 1 545 545 HIS HA H 545 3.781 3.781 4.165 -0.384 18840 5921 1 17 . 1 1 545 545 HIS C C 545 173.247 173.247 176.468 -3.221 18840 5922 1 17 . 1 1 545 545 HIS CA C 545 58.848 58.848 57.739 1.109 18840 5923 1 17 . 1 1 545 545 HIS CB C 545 25.314 25.314 29.346 -4.032 18840 5924 1 17 . 1 1 545 545 HIS H H 545 7.410 7.410 7.963 -0.553 18840 5925 1 17 . 1 1 546 546 SER N N 546 112.353 112.353 115.456 -3.103 18840 5926 1 17 . 1 1 546 546 SER HA H 546 4.336 4.336 4.143 0.193 18840 5927 1 17 . 1 1 546 546 SER C C 546 174.714 174.714 174.521 0.193 18840 5928 1 17 . 1 1 546 546 SER CA C 546 59.042 59.042 59.567 -0.525 18840 5929 1 17 . 1 1 546 546 SER CB C 546 63.464 63.464 63.090 0.374 18840 5930 1 17 . 1 1 546 546 SER H H 546 6.948 6.948 7.574 -0.626 18840 5931 1 17 . 1 1 547 547 MET N N 547 121.366 121.366 121.362 0.004 18840 5932 1 17 . 1 1 547 547 MET HA H 547 4.188 4.188 4.075 0.113 18840 5933 1 17 . 1 1 547 547 MET C C 547 175.421 175.421 175.693 -0.272 18840 5934 1 17 . 1 1 547 547 MET CA C 547 55.504 55.504 56.105 -0.601 18840 5935 1 17 . 1 1 547 547 MET CB C 547 33.318 33.318 32.674 0.644 18840 5936 1 17 . 1 1 547 547 MET H H 547 6.821 6.821 7.155 -0.334 18840 5937 1 17 . 1 1 548 548 GLU N N 548 122.898 122.898 123.727 -0.829 18840 5938 1 17 . 1 1 548 548 GLU HA H 548 3.807 3.807 4.009 -0.202 18840 5939 1 17 . 1 1 548 548 GLU C C 548 176.918 176.918 177.400 -0.482 18840 5940 1 17 . 1 1 548 548 GLU CA C 548 58.746 58.746 58.343 0.403 18840 5941 1 17 . 1 1 548 548 GLU CB C 548 29.505 29.505 29.636 -0.131 18840 5942 1 17 . 1 1 548 548 GLU H H 548 8.515 8.515 8.603 -0.088 18840 5943 1 17 . 1 1 549 549 GLY N N 549 112.898 112.898 110.913 1.985 18840 5944 1 17 . 1 1 549 549 GLY C C 549 174.645 174.645 174.826 -0.181 18840 5945 1 17 . 1 1 549 549 GLY CA C 549 45.411 45.411 45.062 0.348 18840 5946 1 17 . 1 1 549 549 GLY H H 549 8.950 8.950 8.833 0.117 18840 5947 1 17 . 1 1 550 550 LEU N N 550 118.164 118.164 119.667 -1.503 18840 5948 1 17 . 1 1 550 550 LEU HA H 550 3.928 3.928 4.300 -0.372 18840 5949 1 17 . 1 1 550 550 LEU C C 550 177.030 177.030 177.479 -0.449 18840 5950 1 17 . 1 1 550 550 LEU CA C 550 54.291 54.291 53.859 0.432 18840 5951 1 17 . 1 1 550 550 LEU CB C 550 42.968 42.968 41.609 1.359 18840 5952 1 17 . 1 1 550 550 LEU H H 550 7.702 7.702 7.613 0.089 18840 5953 1 17 . 1 1 551 551 ARG N N 551 115.914 115.914 118.515 -2.601 18840 5954 1 17 . 1 1 551 551 ARG HA H 551 4.405 4.405 4.260 0.145 18840 5955 1 17 . 1 1 551 551 ARG C C 551 177.206 177.206 176.528 0.678 18840 5956 1 17 . 1 1 551 551 ARG CA C 551 58.406 58.406 57.736 0.670 18840 5957 1 17 . 1 1 551 551 ARG CB C 551 30.360 30.360 29.633 0.727 18840 5958 1 17 . 1 1 551 551 ARG H H 551 7.299 7.299 8.266 -0.967 18840 5959 1 17 . 1 1 552 552 HIS N N 552 113.766 113.766 114.678 -0.912 18840 5960 1 17 . 1 1 552 552 HIS HA H 552 4.692 4.692 4.754 -0.062 18840 5961 1 17 . 1 1 552 552 HIS C C 552 175.959 175.959 174.905 1.054 18840 5962 1 17 . 1 1 552 552 HIS CA C 552 56.223 56.223 55.021 1.202 18840 5963 1 17 . 1 1 552 552 HIS CB C 552 30.228 30.228 29.371 0.857 18840 5964 1 17 . 1 1 552 552 HIS H H 552 8.480 8.480 7.977 0.503 18840 5965 1 17 . 1 1 553 553 HIS N N 553 122.502 122.502 120.402 2.100 18840 5966 1 17 . 1 1 553 553 HIS HA H 553 4.459 4.459 4.356 0.103 18840 5967 1 17 . 1 1 553 553 HIS C C 553 174.820 174.820 174.472 0.348 18840 5968 1 17 . 1 1 553 553 HIS CA C 553 55.553 55.553 56.229 -0.676 18840 5969 1 17 . 1 1 553 553 HIS CB C 553 31.320 31.320 30.549 0.770 18840 5970 1 17 . 1 1 553 553 HIS H H 553 6.954 6.954 7.400 -0.446 18840 5971 1 17 . 1 1 554 554 SER N N 554 117.586 117.586 116.340 1.246 18840 5972 1 17 . 1 1 554 554 SER HA H 554 5.128 5.128 4.959 0.169 18840 5973 1 17 . 1 1 554 554 SER CA C 554 55.199 55.199 55.691 -0.492 18840 5974 1 17 . 1 1 554 554 SER CB C 554 64.833 64.833 65.071 -0.238 18840 5975 1 17 . 1 1 554 554 SER H H 554 8.668 8.668 8.378 0.290 18840 5976 1 17 . 1 1 555 555 PRO HA H 555 4.296 4.296 5.022 -0.726 18840 5977 1 17 . 1 1 555 555 PRO C C 555 176.447 176.447 177.238 -0.791 18840 5978 1 17 . 1 1 555 555 PRO CA C 555 63.029 63.029 62.424 0.605 18840 5979 1 17 . 1 1 555 555 PRO CB C 555 31.779 31.779 32.115 -0.336 18840 5980 1 17 . 1 1 556 556 LEU N N 556 123.469 123.469 120.425 3.044 18840 5981 1 17 . 1 1 556 556 LEU HA H 556 4.788 4.788 4.662 0.126 18840 5982 1 17 . 1 1 556 556 LEU C C 556 176.176 176.176 176.853 -0.677 18840 5983 1 17 . 1 1 556 556 LEU CA C 556 54.247 54.247 55.130 -0.883 18840 5984 1 17 . 1 1 556 556 LEU CB C 556 44.237 44.237 42.328 1.909 18840 5985 1 17 . 1 1 556 556 LEU H H 556 8.802 8.802 7.893 0.909 18840 5986 1 17 . 1 1 557 557 MET N N 557 122.362 122.362 118.854 3.508 18840 5987 1 17 . 1 1 557 557 MET HA H 557 4.983 4.983 4.730 0.253 18840 5988 1 17 . 1 1 557 557 MET C C 557 175.983 175.983 175.699 0.284 18840 5989 1 17 . 1 1 557 557 MET CA C 557 54.641 54.641 54.459 0.182 18840 5990 1 17 . 1 1 557 557 MET CB C 557 34.181 34.181 35.544 -1.363 18840 5991 1 17 . 1 1 557 557 MET H H 557 8.624 8.624 8.138 0.486 18840 5992 1 17 . 1 1 558 558 ARG N N 558 123.450 123.450 123.466 -0.016 18840 5993 1 17 . 1 1 558 558 ARG HA H 558 4.302 4.302 4.360 -0.058 18840 5994 1 17 . 1 1 558 558 ARG CA C 558 56.545 56.545 56.708 -0.163 18840 5995 1 17 . 1 1 558 558 ARG CB C 558 31.139 31.139 30.910 0.230 18840 5996 1 17 . 1 1 558 558 ARG H H 558 8.901 8.901 8.419 0.482 18840 5997 1 17 . 1 1 559 559 ASN HA H 559 4.642 4.642 4.850 -0.208 18840 5998 1 17 . 1 1 559 559 ASN CA C 559 53.286 53.286 53.569 -0.283 18840 5999 1 17 . 1 1 559 559 ASN CB C 559 38.877 38.877 39.651 -0.774 18840 6000 1 17 . 1 1 560 560 GLN N N 560 121.173 121.173 122.821 -1.648 18840 6001 1 17 . 1 1 560 560 GLN HA H 560 4.308 4.308 4.529 -0.221 18840 6002 1 17 . 1 1 560 560 GLN C C 560 175.883 175.883 174.897 0.986 18840 6003 1 17 . 1 1 560 560 GLN CA C 560 56.023 56.023 55.164 0.859 18840 6004 1 17 . 1 1 560 560 GLN CB C 560 29.702 29.702 31.420 -1.718 18840 6005 1 17 . 1 1 560 560 GLN H H 560 8.284 8.284 8.246 0.038 18840 6006 1 17 . 1 1 561 561 LYS N N 561 122.223 122.223 120.333 1.890 18840 6007 1 17 . 1 1 561 561 LYS HA H 561 4.267 4.267 4.277 -0.010 18840 6008 1 17 . 1 1 561 561 LYS C C 561 176.349 176.349 176.515 -0.166 18840 6009 1 17 . 1 1 561 561 LYS CA C 561 56.659 56.659 56.254 0.405 18840 6010 1 17 . 1 1 561 561 LYS CB C 561 32.966 32.966 32.879 0.087 18840 6011 1 17 . 1 1 561 561 LYS H H 561 8.350 8.350 8.642 -0.292 18840 6012 1 17 . 1 1 562 562 ASN N N 562 119.683 119.683 119.180 0.503 18840 6013 1 17 . 1 1 562 562 ASN HA H 562 4.681 4.681 4.592 0.089 18840 6014 1 17 . 1 1 562 562 ASN C C 562 175.298 175.298 175.049 0.249 18840 6015 1 17 . 1 1 562 562 ASN CA C 562 53.375 53.375 53.585 -0.210 18840 6016 1 17 . 1 1 562 562 ASN CB C 562 38.920 38.920 38.625 0.295 18840 6017 1 17 . 1 1 562 562 ASN H H 562 8.440 8.440 7.875 0.565 18840 6018 1 17 . 1 1 563 563 ARG N N 563 121.405 121.405 122.318 -0.913 18840 6019 1 17 . 1 1 563 563 ARG HA H 563 4.315 4.315 4.461 -0.146 18840 6020 1 17 . 1 1 563 563 ARG C C 563 176.088 176.088 176.537 -0.449 18840 6021 1 17 . 1 1 563 563 ARG CA C 563 56.489 56.489 55.600 0.889 18840 6022 1 17 . 1 1 563 563 ARG CB C 563 30.775 30.775 30.609 0.166 18840 6023 1 17 . 1 1 563 563 ARG H H 563 8.333 8.333 8.361 -0.028 18840 6024 1 17 . 1 1 564 564 ASP N N 564 121.203 121.203 120.550 0.653 18840 6025 1 17 . 1 1 564 564 ASP HA H 564 4.667 4.667 4.554 0.113 18840 6026 1 17 . 1 1 564 564 ASP C C 564 176.148 176.148 176.413 -0.265 18840 6027 1 17 . 1 1 564 564 ASP CA C 564 54.597 54.597 55.098 -0.501 18840 6028 1 17 . 1 1 564 564 ASP CB C 564 41.249 41.249 41.584 -0.334 18840 6029 1 17 . 1 1 564 564 ASP H H 564 8.387 8.387 8.569 -0.182 18840 6030 1 17 . 1 1 565 565 SER N N 565 116.058 116.058 115.338 0.720 18840 6031 1 17 . 1 1 565 565 SER HA H 565 4.528 4.528 4.559 -0.031 18840 6032 1 17 . 1 1 565 565 SER C C 565 173.755 173.755 174.770 -1.015 18840 6033 1 17 . 1 1 565 565 SER CA C 565 58.266 58.266 57.537 0.729 18840 6034 1 17 . 1 1 565 565 SER CB C 565 64.077 64.077 64.449 -0.372 18840 6035 1 17 . 1 1 565 565 SER H H 565 8.186 8.186 7.721 0.465 18840 6036 1 18 . 1 1 503 503 PRO HA H 503 4.533 4.533 4.670 -0.137 18840 6037 1 18 . 1 1 503 503 PRO C C 503 176.777 176.777 176.789 -0.012 18840 6038 1 18 . 1 1 503 503 PRO CA C 503 62.962 62.962 62.331 0.631 18840 6039 1 18 . 1 1 503 503 PRO CB C 503 32.403 32.403 32.444 -0.041 18840 6040 1 18 . 1 1 504 504 VAL N N 504 120.734 120.734 117.883 2.851 18840 6041 1 18 . 1 1 504 504 VAL HA H 504 4.102 4.102 4.275 -0.173 18840 6042 1 18 . 1 1 504 504 VAL C C 504 175.887 175.887 175.805 0.082 18840 6043 1 18 . 1 1 504 504 VAL CA C 504 62.483 62.483 61.737 0.746 18840 6044 1 18 . 1 1 504 504 VAL CB C 504 32.864 32.864 32.766 0.098 18840 6045 1 18 . 1 1 504 504 VAL H H 504 8.290 8.290 8.056 0.234 18840 6046 1 18 . 1 1 505 505 GLN N N 505 125.069 125.069 122.968 2.101 18840 6047 1 18 . 1 1 505 505 GLN HA H 505 4.430 4.430 4.422 0.008 18840 6048 1 18 . 1 1 505 505 GLN C C 505 175.207 175.207 175.098 0.109 18840 6049 1 18 . 1 1 505 505 GLN CA C 505 55.476 55.476 55.907 -0.431 18840 6050 1 18 . 1 1 505 505 GLN CB C 505 29.918 29.918 29.141 0.777 18840 6051 1 18 . 1 1 505 505 GLN H H 505 8.450 8.450 8.394 0.056 18840 6052 1 18 . 1 1 506 506 ILE N N 506 123.121 123.121 125.650 -2.529 18840 6053 1 18 . 1 1 506 506 ILE HA H 506 4.303 4.303 4.230 0.073 18840 6054 1 18 . 1 1 506 506 ILE C C 506 175.607 175.607 174.126 1.481 18840 6055 1 18 . 1 1 506 506 ILE CA C 506 60.346 60.346 60.413 -0.068 18840 6056 1 18 . 1 1 506 506 ILE CB C 506 39.046 39.046 40.946 -1.900 18840 6057 1 18 . 1 1 506 506 ILE H H 506 8.259 8.259 8.329 -0.070 18840 6058 1 18 . 1 1 507 507 ASP N N 507 126.258 126.258 126.824 -0.566 18840 6059 1 18 . 1 1 507 507 ASP HA H 507 4.909 4.909 4.843 0.066 18840 6060 1 18 . 1 1 507 507 ASP CA C 507 51.929 51.929 53.062 -1.133 18840 6061 1 18 . 1 1 507 507 ASP CB C 507 41.712 41.712 41.304 0.408 18840 6062 1 18 . 1 1 507 507 ASP H H 507 8.419 8.419 8.363 0.056 18840 6063 1 18 . 1 1 508 508 PRO HA H 508 4.304 4.304 4.271 0.033 18840 6064 1 18 . 1 1 508 508 PRO C C 508 176.539 176.539 176.522 0.017 18840 6065 1 18 . 1 1 508 508 PRO CA C 508 63.271 63.271 64.151 -0.880 18840 6066 1 18 . 1 1 508 508 PRO CB C 508 32.117 32.117 31.629 0.488 18840 6067 1 18 . 1 1 509 509 TYR N N 509 119.278 119.278 115.739 3.539 18840 6068 1 18 . 1 1 509 509 TYR HA H 509 4.486 4.486 4.560 -0.074 18840 6069 1 18 . 1 1 509 509 TYR C C 509 175.814 175.814 175.047 0.767 18840 6070 1 18 . 1 1 509 509 TYR CA C 509 57.945 57.945 57.701 0.244 18840 6071 1 18 . 1 1 509 509 TYR CB C 509 37.723 37.723 38.174 -0.451 18840 6072 1 18 . 1 1 509 509 TYR H H 509 8.218 8.218 7.717 0.501 18840 6073 1 18 . 1 1 510 510 LEU N N 510 122.827 122.827 117.376 5.451 18840 6074 1 18 . 1 1 510 510 LEU HA H 510 4.254 4.254 5.011 -0.757 18840 6075 1 18 . 1 1 510 510 LEU C C 510 176.689 176.689 175.803 0.886 18840 6076 1 18 . 1 1 510 510 LEU CA C 510 54.934 54.934 53.141 1.793 18840 6077 1 18 . 1 1 510 510 LEU CB C 510 42.647 42.647 45.758 -3.111 18840 6078 1 18 . 1 1 510 510 LEU H H 510 7.655 7.655 7.285 0.370 18840 6079 1 18 . 1 1 511 511 GLU N N 511 120.110 120.110 118.506 1.604 18840 6080 1 18 . 1 1 511 511 GLU HA H 511 4.234 4.234 4.515 -0.281 18840 6081 1 18 . 1 1 511 511 GLU CA C 511 55.912 55.912 56.052 -0.140 18840 6082 1 18 . 1 1 511 511 GLU CB C 511 31.398 31.398 33.342 -1.944 18840 6083 1 18 . 1 1 511 511 GLU H H 511 8.223 8.223 8.484 -0.261 18840 6084 1 18 . 1 1 512 512 ASP N N 512 120.430 120.430 123.765 -3.335 18840 6085 1 18 . 1 1 512 512 ASP HA H 512 4.439 4.439 4.732 -0.293 18840 6086 1 18 . 1 1 512 512 ASP C C 512 175.742 175.742 175.193 0.549 18840 6087 1 18 . 1 1 512 512 ASP CA C 512 54.405 54.405 53.654 0.751 18840 6088 1 18 . 1 1 512 512 ASP CB C 512 40.977 40.977 39.567 1.410 18840 6089 1 18 . 1 1 512 512 ASP H H 512 8.258 8.258 8.621 -0.363 18840 6090 1 18 . 1 1 513 513 SER N N 513 116.712 116.712 117.257 -0.545 18840 6091 1 18 . 1 1 513 513 SER HA H 513 4.282 4.282 4.389 -0.107 18840 6092 1 18 . 1 1 513 513 SER C C 513 174.628 174.628 173.921 0.707 18840 6093 1 18 . 1 1 513 513 SER CA C 513 57.783 57.783 58.258 -0.475 18840 6094 1 18 . 1 1 513 513 SER CB C 513 64.481 64.481 63.625 0.856 18840 6095 1 18 . 1 1 513 513 SER H H 513 8.004 8.004 8.066 -0.062 18840 6096 1 18 . 1 1 514 514 LEU N N 514 124.291 124.291 126.430 -2.139 18840 6097 1 18 . 1 1 514 514 LEU HA H 514 4.360 4.360 4.306 0.054 18840 6098 1 18 . 1 1 514 514 LEU C C 514 176.422 176.422 175.474 0.948 18840 6099 1 18 . 1 1 514 514 LEU CA C 514 54.896 54.896 54.556 0.340 18840 6100 1 18 . 1 1 514 514 LEU CB C 514 43.711 43.711 43.402 0.309 18840 6101 1 18 . 1 1 514 514 LEU H H 514 8.248 8.248 8.261 -0.013 18840 6102 1 18 . 1 1 515 515 CYS N N 515 121.802 121.802 126.461 -4.659 18840 6103 1 18 . 1 1 515 515 CYS HA H 515 3.818 3.818 4.307 -0.489 18840 6104 1 18 . 1 1 515 515 CYS C C 515 177.418 177.418 175.726 1.692 18840 6105 1 18 . 1 1 515 515 CYS CA C 515 60.542 60.542 59.256 1.286 18840 6106 1 18 . 1 1 515 515 CYS CB C 515 31.859 31.859 26.679 5.180 18840 6107 1 18 . 1 1 515 515 CYS H H 515 8.418 8.418 8.211 0.207 18840 6108 1 18 . 1 1 516 516 HIS N N 516 129.671 129.671 127.115 2.556 18840 6109 1 18 . 1 1 516 516 HIS HA H 516 4.497 4.497 4.391 0.106 18840 6110 1 18 . 1 1 516 516 HIS C C 516 175.845 175.845 175.544 0.301 18840 6111 1 18 . 1 1 516 516 HIS CA C 516 58.672 58.672 58.474 0.198 18840 6112 1 18 . 1 1 516 516 HIS CB C 516 31.910 31.910 29.452 2.458 18840 6113 1 18 . 1 1 516 516 HIS H H 516 9.149 9.149 8.781 0.368 18840 6114 1 18 . 1 1 517 517 ILE N N 517 121.766 121.766 117.690 4.076 18840 6115 1 18 . 1 1 517 517 ILE HA H 517 4.170 4.170 3.899 0.271 18840 6116 1 18 . 1 1 517 517 ILE C C 517 177.448 177.448 177.347 0.101 18840 6117 1 18 . 1 1 517 517 ILE CA C 517 61.900 61.900 62.590 -0.690 18840 6118 1 18 . 1 1 517 517 ILE CB C 517 35.256 35.256 37.709 -2.453 18840 6119 1 18 . 1 1 517 517 ILE H H 517 9.347 9.347 7.866 1.481 18840 6120 1 18 . 1 1 518 518 CYS N N 518 118.774 118.774 114.782 3.992 18840 6121 1 18 . 1 1 518 518 CYS HA H 518 4.772 4.772 4.555 0.217 18840 6122 1 18 . 1 1 518 518 CYS C C 518 176.883 176.883 175.705 1.178 18840 6123 1 18 . 1 1 518 518 CYS CA C 518 59.309 59.309 58.548 0.760 18840 6124 1 18 . 1 1 518 518 CYS CB C 518 31.994 31.994 29.462 2.532 18840 6125 1 18 . 1 1 518 518 CYS H H 518 8.564 8.564 8.245 0.319 18840 6126 1 18 . 1 1 519 519 SER N N 519 116.362 116.362 116.729 -0.367 18840 6127 1 18 . 1 1 519 519 SER HA H 519 4.403 4.403 4.104 0.299 18840 6128 1 18 . 1 1 519 519 SER C C 519 174.258 174.258 174.112 0.146 18840 6129 1 18 . 1 1 519 519 SER CA C 519 60.236 60.236 59.256 0.980 18840 6130 1 18 . 1 1 519 519 SER CB C 519 62.727 62.727 61.365 1.362 18840 6131 1 18 . 1 1 519 519 SER H H 519 7.619 7.619 8.770 -1.151 18840 6132 1 18 . 1 1 520 520 SER N N 520 113.506 113.506 113.072 0.434 18840 6133 1 18 . 1 1 520 520 SER HA H 520 4.832 4.832 4.525 0.307 18840 6134 1 18 . 1 1 520 520 SER C C 520 172.953 172.953 174.216 -1.263 18840 6135 1 18 . 1 1 520 520 SER CA C 520 58.849 58.849 58.711 0.138 18840 6136 1 18 . 1 1 520 520 SER CB C 520 65.701 65.701 64.915 0.786 18840 6137 1 18 . 1 1 520 520 SER H H 520 8.328 8.328 7.998 0.330 18840 6138 1 18 . 1 1 521 521 GLN N N 521 118.652 118.652 120.021 -1.369 18840 6139 1 18 . 1 1 521 521 GLN HA H 521 4.932 4.932 4.847 0.085 18840 6140 1 18 . 1 1 521 521 GLN CA C 521 52.845 52.845 53.184 -0.339 18840 6141 1 18 . 1 1 521 521 GLN CB C 521 30.606 30.606 30.885 -0.279 18840 6142 1 18 . 1 1 521 521 GLN H H 521 7.416 7.416 7.706 -0.290 18840 6143 1 18 . 1 1 522 522 PRO HA H 522 4.415 4.415 4.729 -0.314 18840 6144 1 18 . 1 1 522 522 PRO C C 522 175.086 175.086 176.851 -1.765 18840 6145 1 18 . 1 1 522 522 PRO CA C 522 63.782 63.782 62.347 1.435 18840 6146 1 18 . 1 1 522 522 PRO CB C 522 32.536 32.536 32.492 0.044 18840 6147 1 18 . 1 1 523 523 GLY N N 523 110.217 110.217 109.834 0.383 18840 6148 1 18 . 1 1 523 523 GLY CA C 523 46.095 46.095 42.910 3.185 18840 6149 1 18 . 1 1 523 523 GLY H H 523 8.909 8.909 8.267 0.642 18840 6150 1 18 . 1 1 524 524 PRO HA H 524 4.457 4.457 4.197 0.260 18840 6151 1 18 . 1 1 524 524 PRO C C 524 176.040 176.040 176.255 -0.215 18840 6152 1 18 . 1 1 524 524 PRO CA C 524 63.115 63.115 63.831 -0.716 18840 6153 1 18 . 1 1 524 524 PRO CB C 524 32.830 32.830 31.965 0.865 18840 6154 1 18 . 1 1 525 525 PHE N N 525 116.223 116.223 118.961 -2.738 18840 6155 1 18 . 1 1 525 525 PHE HA H 525 5.039 5.039 5.042 -0.003 18840 6156 1 18 . 1 1 525 525 PHE C C 525 174.437 174.437 174.811 -0.374 18840 6157 1 18 . 1 1 525 525 PHE CA C 525 56.080 56.080 55.864 0.216 18840 6158 1 18 . 1 1 525 525 PHE CB C 525 39.780 39.780 40.428 -0.648 18840 6159 1 18 . 1 1 525 525 PHE H H 525 8.148 8.148 7.371 0.777 18840 6160 1 18 . 1 1 526 526 PHE N N 526 125.861 125.861 124.520 1.341 18840 6161 1 18 . 1 1 526 526 PHE HA H 526 5.102 5.102 5.646 -0.544 18840 6162 1 18 . 1 1 526 526 PHE C C 526 175.221 175.221 174.116 1.105 18840 6163 1 18 . 1 1 526 526 PHE CA C 526 56.865 56.865 56.062 0.803 18840 6164 1 18 . 1 1 526 526 PHE CB C 526 41.661 41.661 42.595 -0.934 18840 6165 1 18 . 1 1 526 526 PHE H H 526 9.522 9.522 8.435 1.087 18840 6166 1 18 . 1 1 527 527 CYS N N 527 128.663 128.663 128.238 0.425 18840 6167 1 18 . 1 1 527 527 CYS HA H 527 4.931 4.931 5.124 -0.193 18840 6168 1 18 . 1 1 527 527 CYS C C 527 174.052 174.052 174.343 -0.291 18840 6169 1 18 . 1 1 527 527 CYS CA C 527 58.267 58.267 56.523 1.744 18840 6170 1 18 . 1 1 527 527 CYS CB C 527 31.075 31.075 29.613 1.462 18840 6171 1 18 . 1 1 527 527 CYS H H 527 7.723 7.723 8.652 -0.929 18840 6172 1 18 . 1 1 528 528 ARG N N 528 125.354 125.354 125.768 -0.414 18840 6173 1 18 . 1 1 528 528 ARG HA H 528 4.148 4.148 4.424 -0.276 18840 6174 1 18 . 1 1 528 528 ARG C C 528 175.406 175.406 176.243 -0.837 18840 6175 1 18 . 1 1 528 528 ARG CA C 528 55.971 55.971 54.721 1.250 18840 6176 1 18 . 1 1 528 528 ARG CB C 528 31.165 31.165 29.827 1.338 18840 6177 1 18 . 1 1 528 528 ARG H H 528 8.866 8.866 8.768 0.098 18840 6178 1 18 . 1 1 529 529 ASP N N 529 124.001 124.001 121.413 2.588 18840 6179 1 18 . 1 1 529 529 ASP HA H 529 4.203 4.203 4.455 -0.252 18840 6180 1 18 . 1 1 529 529 ASP C C 529 178.105 178.105 177.509 0.596 18840 6181 1 18 . 1 1 529 529 ASP CA C 529 56.288 56.288 54.061 2.227 18840 6182 1 18 . 1 1 529 529 ASP CB C 529 43.574 43.574 42.450 1.124 18840 6183 1 18 . 1 1 529 529 ASP H H 529 8.198 8.198 7.372 0.826 18840 6184 1 18 . 1 1 530 530 GLN N N 530 125.372 125.372 122.085 3.287 18840 6185 1 18 . 1 1 530 530 GLN HA H 530 3.894 3.894 4.001 -0.107 18840 6186 1 18 . 1 1 530 530 GLN C C 530 177.471 177.471 176.339 1.132 18840 6187 1 18 . 1 1 530 530 GLN CA C 530 59.159 59.159 57.820 1.339 18840 6188 1 18 . 1 1 530 530 GLN CB C 530 28.731 28.731 28.269 0.462 18840 6189 1 18 . 1 1 530 530 GLN H H 530 8.746 8.746 8.526 0.220 18840 6190 1 18 . 1 1 531 531 VAL N N 531 113.137 113.137 118.674 -5.537 18840 6191 1 18 . 1 1 531 531 VAL HA H 531 4.282 4.282 3.899 0.383 18840 6192 1 18 . 1 1 531 531 VAL C C 531 176.295 176.295 177.101 -0.806 18840 6193 1 18 . 1 1 531 531 VAL CA C 531 63.324 63.324 64.813 -1.489 18840 6194 1 18 . 1 1 531 531 VAL CB C 531 31.457 31.457 32.086 -0.628 18840 6195 1 18 . 1 1 531 531 VAL H H 531 8.659 8.659 8.834 -0.175 18840 6196 1 18 . 1 1 532 532 CYS N N 532 121.034 121.034 116.741 4.293 18840 6197 1 18 . 1 1 532 532 CYS HA H 532 4.568 4.568 4.781 -0.213 18840 6198 1 18 . 1 1 532 532 CYS C C 532 172.994 172.994 174.875 -1.881 18840 6199 1 18 . 1 1 532 532 CYS CA C 532 60.437 60.437 59.696 0.741 18840 6200 1 18 . 1 1 532 532 CYS CB C 532 31.856 31.856 29.078 2.778 18840 6201 1 18 . 1 1 532 532 CYS H H 532 8.023 8.023 7.517 0.506 18840 6202 1 18 . 1 1 533 533 PHE N N 533 129.389 129.389 119.921 9.468 18840 6203 1 18 . 1 1 533 533 PHE HA H 533 4.197 4.197 4.279 -0.082 18840 6204 1 18 . 1 1 533 533 PHE C C 533 174.830 174.830 174.401 0.429 18840 6205 1 18 . 1 1 533 533 PHE CA C 533 59.754 59.754 58.886 0.868 18840 6206 1 18 . 1 1 533 533 PHE CB C 533 38.260 38.260 37.490 0.770 18840 6207 1 18 . 1 1 533 533 PHE H H 533 7.928 7.928 8.176 -0.248 18840 6208 1 18 . 1 1 534 534 LYS N N 534 113.676 113.676 117.693 -4.017 18840 6209 1 18 . 1 1 534 534 LYS HA H 534 4.466 4.466 4.599 -0.133 18840 6210 1 18 . 1 1 534 534 LYS C C 534 173.055 173.055 174.425 -1.370 18840 6211 1 18 . 1 1 534 534 LYS CA C 534 54.068 54.068 54.374 -0.306 18840 6212 1 18 . 1 1 534 534 LYS CB C 534 37.800 37.800 36.138 1.662 18840 6213 1 18 . 1 1 534 534 LYS H H 534 6.430 6.430 7.661 -1.231 18840 6214 1 18 . 1 1 535 535 TYR N N 535 117.686 117.686 118.076 -0.390 18840 6215 1 18 . 1 1 535 535 TYR HA H 535 5.165 5.165 5.727 -0.562 18840 6216 1 18 . 1 1 535 535 TYR C C 535 175.888 175.888 175.931 -0.043 18840 6217 1 18 . 1 1 535 535 TYR CA C 535 58.593 58.593 55.338 3.255 18840 6218 1 18 . 1 1 535 535 TYR CB C 535 40.020 40.020 39.655 0.365 18840 6219 1 18 . 1 1 535 535 TYR H H 535 7.145 7.145 8.470 -1.325 18840 6220 1 18 . 1 1 536 536 PHE N N 536 117.497 117.497 117.642 -0.145 18840 6221 1 18 . 1 1 536 536 PHE HA H 536 6.399 6.399 5.088 1.311 18840 6222 1 18 . 1 1 536 536 PHE C C 536 177.127 177.127 175.493 1.634 18840 6223 1 18 . 1 1 536 536 PHE CA C 536 57.056 57.056 56.945 0.111 18840 6224 1 18 . 1 1 536 536 PHE CB C 536 45.217 45.217 43.852 1.365 18840 6225 1 18 . 1 1 536 536 PHE H H 536 9.608 9.608 9.047 0.561 18840 6226 1 18 . 1 1 537 537 CYS N N 537 119.624 119.624 120.984 -1.360 18840 6227 1 18 . 1 1 537 537 CYS HA H 537 5.499 5.499 4.809 0.690 18840 6228 1 18 . 1 1 537 537 CYS C C 537 176.128 176.128 176.791 -0.663 18840 6229 1 18 . 1 1 537 537 CYS CA C 537 58.097 58.097 59.515 -1.418 18840 6230 1 18 . 1 1 537 537 CYS CB C 537 32.306 32.306 29.436 2.870 18840 6231 1 18 . 1 1 537 537 CYS H H 537 9.777 9.777 9.207 0.570 18840 6232 1 18 . 1 1 538 538 ARG N N 538 120.573 120.573 121.737 -1.164 18840 6233 1 18 . 1 1 538 538 ARG HA H 538 3.791 3.791 4.289 -0.498 18840 6234 1 18 . 1 1 538 538 ARG C C 538 178.403 178.403 178.406 -0.003 18840 6235 1 18 . 1 1 538 538 ARG CA C 538 60.937 60.937 60.672 0.265 18840 6236 1 18 . 1 1 538 538 ARG CB C 538 30.392 30.392 30.247 0.145 18840 6237 1 18 . 1 1 538 538 ARG H H 538 9.375 9.375 9.021 0.354 18840 6238 1 18 . 1 1 539 539 SER N N 539 114.562 114.562 113.520 1.042 18840 6239 1 18 . 1 1 539 539 SER HA H 539 4.491 4.491 4.375 0.116 18840 6240 1 18 . 1 1 539 539 SER C C 539 178.610 178.610 176.448 2.162 18840 6241 1 18 . 1 1 539 539 SER CA C 539 62.159 62.159 61.627 0.532 18840 6242 1 18 . 1 1 539 539 SER CB C 539 62.934 62.934 63.108 -0.174 18840 6243 1 18 . 1 1 539 539 SER H H 539 8.549 8.549 8.891 -0.342 18840 6244 1 18 . 1 1 540 540 CYS N N 540 126.990 126.990 121.265 5.725 18840 6245 1 18 . 1 1 540 540 CYS HA H 540 4.454 4.454 4.625 -0.171 18840 6246 1 18 . 1 1 540 540 CYS C C 540 178.546 178.546 176.976 1.570 18840 6247 1 18 . 1 1 540 540 CYS CA C 540 65.024 65.024 61.598 3.426 18840 6248 1 18 . 1 1 540 540 CYS CB C 540 30.747 30.747 26.539 4.208 18840 6249 1 18 . 1 1 540 540 CYS H H 540 9.534 9.534 8.418 1.116 18840 6250 1 18 . 1 1 541 541 TRP N N 541 121.037 121.037 122.194 -1.157 18840 6251 1 18 . 1 1 541 541 TRP HA H 541 3.319 3.319 4.286 -0.967 18840 6252 1 18 . 1 1 541 541 TRP C C 541 179.671 179.671 178.607 1.064 18840 6253 1 18 . 1 1 541 541 TRP CA C 541 62.783 62.783 61.042 1.741 18840 6254 1 18 . 1 1 541 541 TRP CB C 541 27.747 27.747 29.163 -1.415 18840 6255 1 18 . 1 1 541 541 TRP H H 541 9.632 9.632 9.117 0.515 18840 6256 1 18 . 1 1 542 542 HIS N N 542 119.251 119.251 121.103 -1.852 18840 6257 1 18 . 1 1 542 542 HIS HA H 542 4.330 4.330 4.327 0.003 18840 6258 1 18 . 1 1 542 542 HIS C C 542 177.291 177.291 177.051 0.240 18840 6259 1 18 . 1 1 542 542 HIS CA C 542 59.909 59.909 61.102 -1.194 18840 6260 1 18 . 1 1 542 542 HIS CB C 542 30.594 30.594 29.934 0.660 18840 6261 1 18 . 1 1 542 542 HIS H H 542 8.073 8.073 8.344 -0.271 18840 6262 1 18 . 1 1 543 543 TRP N N 543 121.212 121.212 121.232 -0.020 18840 6263 1 18 . 1 1 543 543 TRP HA H 543 4.231 4.231 4.239 -0.008 18840 6264 1 18 . 1 1 543 543 TRP C C 543 178.256 178.256 177.754 0.502 18840 6265 1 18 . 1 1 543 543 TRP CA C 543 60.959 60.959 61.462 -0.503 18840 6266 1 18 . 1 1 543 543 TRP CB C 543 28.593 28.593 29.560 -0.967 18840 6267 1 18 . 1 1 543 543 TRP H H 543 8.200 8.200 8.298 -0.098 18840 6268 1 18 . 1 1 544 544 ARG N N 544 118.044 118.044 118.348 -0.304 18840 6269 1 18 . 1 1 544 544 ARG HA H 544 3.199 3.199 3.612 -0.413 18840 6270 1 18 . 1 1 544 544 ARG C C 544 176.093 176.093 178.058 -1.965 18840 6271 1 18 . 1 1 544 544 ARG CA C 544 57.149 57.149 57.930 -0.781 18840 6272 1 18 . 1 1 544 544 ARG CB C 544 29.942 29.942 29.307 0.635 18840 6273 1 18 . 1 1 544 544 ARG H H 544 8.194 8.194 8.109 0.085 18840 6274 1 18 . 1 1 545 545 HIS N N 545 109.049 109.049 114.426 -5.377 18840 6275 1 18 . 1 1 545 545 HIS HA H 545 3.781 3.781 4.274 -0.493 18840 6276 1 18 . 1 1 545 545 HIS C C 545 173.247 173.247 175.087 -1.840 18840 6277 1 18 . 1 1 545 545 HIS CA C 545 58.848 58.848 56.318 2.530 18840 6278 1 18 . 1 1 545 545 HIS CB C 545 25.314 25.314 29.037 -3.723 18840 6279 1 18 . 1 1 545 545 HIS H H 545 7.410 7.410 7.707 -0.297 18840 6280 1 18 . 1 1 546 546 SER N N 546 112.353 112.353 115.049 -2.696 18840 6281 1 18 . 1 1 546 546 SER HA H 546 4.336 4.336 3.991 0.345 18840 6282 1 18 . 1 1 546 546 SER C C 546 174.714 174.714 174.365 0.349 18840 6283 1 18 . 1 1 546 546 SER CA C 546 59.042 59.042 59.967 -0.925 18840 6284 1 18 . 1 1 546 546 SER CB C 546 63.464 63.464 63.106 0.358 18840 6285 1 18 . 1 1 546 546 SER H H 546 6.948 6.948 7.172 -0.224 18840 6286 1 18 . 1 1 547 547 MET N N 547 121.366 121.366 122.794 -1.428 18840 6287 1 18 . 1 1 547 547 MET HA H 547 4.188 4.188 4.147 0.041 18840 6288 1 18 . 1 1 547 547 MET C C 547 175.421 175.421 175.477 -0.056 18840 6289 1 18 . 1 1 547 547 MET CA C 547 55.504 55.504 55.304 0.200 18840 6290 1 18 . 1 1 547 547 MET CB C 547 33.318 33.318 33.694 -0.376 18840 6291 1 18 . 1 1 547 547 MET H H 547 6.821 6.821 7.185 -0.364 18840 6292 1 18 . 1 1 548 548 GLU N N 548 122.898 122.898 125.438 -2.540 18840 6293 1 18 . 1 1 548 548 GLU HA H 548 3.807 3.807 4.080 -0.273 18840 6294 1 18 . 1 1 548 548 GLU C C 548 176.918 176.918 177.110 -0.192 18840 6295 1 18 . 1 1 548 548 GLU CA C 548 58.746 58.746 58.179 0.567 18840 6296 1 18 . 1 1 548 548 GLU CB C 548 29.505 29.505 29.976 -0.471 18840 6297 1 18 . 1 1 548 548 GLU H H 548 8.515 8.515 8.590 -0.075 18840 6298 1 18 . 1 1 549 549 GLY N N 549 112.898 112.898 112.330 0.568 18840 6299 1 18 . 1 1 549 549 GLY C C 549 174.645 174.645 174.675 -0.030 18840 6300 1 18 . 1 1 549 549 GLY CA C 549 45.411 45.411 45.115 0.296 18840 6301 1 18 . 1 1 549 549 GLY H H 549 8.950 8.950 8.754 0.196 18840 6302 1 18 . 1 1 550 550 LEU N N 550 118.164 118.164 119.567 -1.403 18840 6303 1 18 . 1 1 550 550 LEU HA H 550 3.928 3.928 4.286 -0.358 18840 6304 1 18 . 1 1 550 550 LEU C C 550 177.030 177.030 177.518 -0.488 18840 6305 1 18 . 1 1 550 550 LEU CA C 550 54.291 54.291 53.920 0.371 18840 6306 1 18 . 1 1 550 550 LEU CB C 550 42.968 42.968 41.426 1.542 18840 6307 1 18 . 1 1 550 550 LEU H H 550 7.702 7.702 7.344 0.358 18840 6308 1 18 . 1 1 551 551 ARG N N 551 115.914 115.914 117.613 -1.699 18840 6309 1 18 . 1 1 551 551 ARG HA H 551 4.405 4.405 4.042 0.363 18840 6310 1 18 . 1 1 551 551 ARG C C 551 177.206 177.206 175.795 1.411 18840 6311 1 18 . 1 1 551 551 ARG CA C 551 58.406 58.406 57.554 0.851 18840 6312 1 18 . 1 1 551 551 ARG CB C 551 30.360 30.360 29.233 1.127 18840 6313 1 18 . 1 1 551 551 ARG H H 551 7.299 7.299 8.156 -0.857 18840 6314 1 18 . 1 1 552 552 HIS N N 552 113.766 113.766 114.643 -0.877 18840 6315 1 18 . 1 1 552 552 HIS HA H 552 4.692 4.692 4.631 0.061 18840 6316 1 18 . 1 1 552 552 HIS C C 552 175.959 175.959 175.156 0.803 18840 6317 1 18 . 1 1 552 552 HIS CA C 552 56.223 56.223 55.803 0.420 18840 6318 1 18 . 1 1 552 552 HIS CB C 552 30.228 30.228 29.610 0.618 18840 6319 1 18 . 1 1 552 552 HIS H H 552 8.480 8.480 8.244 0.236 18840 6320 1 18 . 1 1 553 553 HIS N N 553 122.502 122.502 120.883 1.619 18840 6321 1 18 . 1 1 553 553 HIS HA H 553 4.459 4.459 4.365 0.094 18840 6322 1 18 . 1 1 553 553 HIS C C 553 174.820 174.820 174.563 0.257 18840 6323 1 18 . 1 1 553 553 HIS CA C 553 55.553 55.553 56.172 -0.619 18840 6324 1 18 . 1 1 553 553 HIS CB C 553 31.320 31.320 30.535 0.785 18840 6325 1 18 . 1 1 553 553 HIS H H 553 6.954 6.954 7.380 -0.426 18840 6326 1 18 . 1 1 554 554 SER N N 554 117.586 117.586 116.440 1.146 18840 6327 1 18 . 1 1 554 554 SER HA H 554 5.128 5.128 4.861 0.267 18840 6328 1 18 . 1 1 554 554 SER CA C 554 55.199 55.199 56.536 -1.337 18840 6329 1 18 . 1 1 554 554 SER CB C 554 64.833 64.833 66.015 -1.182 18840 6330 1 18 . 1 1 554 554 SER H H 554 8.668 8.668 8.407 0.261 18840 6331 1 18 . 1 1 555 555 PRO HA H 555 4.296 4.296 4.202 0.094 18840 6332 1 18 . 1 1 555 555 PRO C C 555 176.447 176.447 175.896 0.551 18840 6333 1 18 . 1 1 555 555 PRO CA C 555 63.029 63.029 61.988 1.041 18840 6334 1 18 . 1 1 555 555 PRO CB C 555 31.779 31.779 31.118 0.661 18840 6335 1 18 . 1 1 556 556 LEU N N 556 123.469 123.469 126.666 -3.197 18840 6336 1 18 . 1 1 556 556 LEU HA H 556 4.788 4.788 4.475 0.313 18840 6337 1 18 . 1 1 556 556 LEU C C 556 176.176 176.176 176.846 -0.670 18840 6338 1 18 . 1 1 556 556 LEU CA C 556 54.247 54.247 55.129 -0.882 18840 6339 1 18 . 1 1 556 556 LEU CB C 556 44.237 44.237 43.196 1.041 18840 6340 1 18 . 1 1 556 556 LEU H H 556 8.802 8.802 8.686 0.116 18840 6341 1 18 . 1 1 557 557 MET N N 557 122.362 122.362 119.061 3.301 18840 6342 1 18 . 1 1 557 557 MET HA H 557 4.983 4.983 4.871 0.112 18840 6343 1 18 . 1 1 557 557 MET C C 557 175.983 175.983 176.137 -0.154 18840 6344 1 18 . 1 1 557 557 MET CA C 557 54.641 54.641 53.990 0.651 18840 6345 1 18 . 1 1 557 557 MET CB C 557 34.181 34.181 35.714 -1.533 18840 6346 1 18 . 1 1 557 557 MET H H 557 8.624 8.624 8.249 0.375 18840 6347 1 18 . 1 1 558 558 ARG N N 558 123.450 123.450 122.614 0.836 18840 6348 1 18 . 1 1 558 558 ARG HA H 558 4.302 4.302 4.404 -0.102 18840 6349 1 18 . 1 1 558 558 ARG CA C 558 56.545 56.545 56.201 0.344 18840 6350 1 18 . 1 1 558 558 ARG CB C 558 31.139 31.139 30.683 0.456 18840 6351 1 18 . 1 1 558 558 ARG H H 558 8.901 8.901 8.546 0.355 18840 6352 1 18 . 1 1 559 559 ASN HA H 559 4.642 4.642 4.607 0.035 18840 6353 1 18 . 1 1 559 559 ASN CA C 559 53.286 53.286 54.010 -0.723 18840 6354 1 18 . 1 1 559 559 ASN CB C 559 38.877 38.877 38.630 0.247 18840 6355 1 18 . 1 1 560 560 GLN N N 560 121.173 121.173 119.748 1.425 18840 6356 1 18 . 1 1 560 560 GLN HA H 560 4.308 4.308 4.327 -0.019 18840 6357 1 18 . 1 1 560 560 GLN C C 560 175.883 175.883 176.219 -0.336 18840 6358 1 18 . 1 1 560 560 GLN CA C 560 56.023 56.023 55.536 0.487 18840 6359 1 18 . 1 1 560 560 GLN CB C 560 29.702 29.702 28.171 1.531 18840 6360 1 18 . 1 1 560 560 GLN H H 560 8.284 8.284 8.176 0.108 18840 6361 1 18 . 1 1 561 561 LYS N N 561 122.223 122.223 124.512 -2.289 18840 6362 1 18 . 1 1 561 561 LYS HA H 561 4.267 4.267 4.210 0.057 18840 6363 1 18 . 1 1 561 561 LYS C C 561 176.349 176.349 176.977 -0.628 18840 6364 1 18 . 1 1 561 561 LYS CA C 561 56.659 56.659 57.294 -0.635 18840 6365 1 18 . 1 1 561 561 LYS CB C 561 32.966 32.966 33.121 -0.155 18840 6366 1 18 . 1 1 561 561 LYS H H 561 8.350 8.350 8.665 -0.315 18840 6367 1 18 . 1 1 562 562 ASN N N 562 119.683 119.683 115.018 4.665 18840 6368 1 18 . 1 1 562 562 ASN HA H 562 4.681 4.681 4.824 -0.143 18840 6369 1 18 . 1 1 562 562 ASN C C 562 175.298 175.298 174.770 0.528 18840 6370 1 18 . 1 1 562 562 ASN CA C 562 53.375 53.375 53.023 0.352 18840 6371 1 18 . 1 1 562 562 ASN CB C 562 38.920 38.920 40.156 -1.236 18840 6372 1 18 . 1 1 562 562 ASN H H 562 8.440 8.440 7.654 0.786 18840 6373 1 18 . 1 1 563 563 ARG N N 563 121.405 121.405 121.322 0.083 18840 6374 1 18 . 1 1 563 563 ARG HA H 563 4.315 4.315 4.104 0.211 18840 6375 1 18 . 1 1 563 563 ARG C C 563 176.088 176.088 177.810 -1.722 18840 6376 1 18 . 1 1 563 563 ARG CA C 563 56.489 56.489 58.202 -1.713 18840 6377 1 18 . 1 1 563 563 ARG CB C 563 30.775 30.775 30.006 0.769 18840 6378 1 18 . 1 1 563 563 ARG H H 563 8.333 8.333 8.822 -0.489 18840 6379 1 18 . 1 1 564 564 ASP N N 564 121.203 121.203 121.323 -0.120 18840 6380 1 18 . 1 1 564 564 ASP HA H 564 4.667 4.667 4.473 0.194 18840 6381 1 18 . 1 1 564 564 ASP C C 564 176.148 176.148 177.347 -1.199 18840 6382 1 18 . 1 1 564 564 ASP CA C 564 54.597 54.597 56.551 -1.954 18840 6383 1 18 . 1 1 564 564 ASP CB C 564 41.249 41.249 41.022 0.227 18840 6384 1 18 . 1 1 564 564 ASP H H 564 8.387 8.387 8.616 -0.229 18840 6385 1 18 . 1 1 565 565 SER N N 565 116.058 116.058 112.734 3.324 18840 6386 1 18 . 1 1 565 565 SER HA H 565 4.528 4.528 4.534 -0.006 18840 6387 1 18 . 1 1 565 565 SER C C 565 173.755 173.755 175.203 -1.448 18840 6388 1 18 . 1 1 565 565 SER CA C 565 58.266 58.266 58.100 0.166 18840 6389 1 18 . 1 1 565 565 SER CB C 565 64.077 64.077 63.730 0.348 18840 6390 1 18 . 1 1 565 565 SER H H 565 8.186 8.186 7.779 0.407 18840 6391 1 19 . 1 1 503 503 PRO HA H 503 4.533 4.533 4.582 -0.049 18840 6392 1 19 . 1 1 503 503 PRO C C 503 176.777 176.777 176.642 0.135 18840 6393 1 19 . 1 1 503 503 PRO CA C 503 62.962 62.962 62.210 0.752 18840 6394 1 19 . 1 1 503 503 PRO CB C 503 32.403 32.403 32.749 -0.346 18840 6395 1 19 . 1 1 504 504 VAL N N 504 120.734 120.734 120.988 -0.254 18840 6396 1 19 . 1 1 504 504 VAL HA H 504 4.102 4.102 4.129 -0.027 18840 6397 1 19 . 1 1 504 504 VAL C C 504 175.887 175.887 175.493 0.394 18840 6398 1 19 . 1 1 504 504 VAL CA C 504 62.483 62.483 63.009 -0.526 18840 6399 1 19 . 1 1 504 504 VAL CB C 504 32.864 32.864 31.564 1.300 18840 6400 1 19 . 1 1 504 504 VAL H H 504 8.290 8.290 8.206 0.084 18840 6401 1 19 . 1 1 505 505 GLN N N 505 125.069 125.069 125.572 -0.503 18840 6402 1 19 . 1 1 505 505 GLN HA H 505 4.430 4.430 4.873 -0.443 18840 6403 1 19 . 1 1 505 505 GLN C C 505 175.207 175.207 174.461 0.746 18840 6404 1 19 . 1 1 505 505 GLN CA C 505 55.476 55.476 54.896 0.580 18840 6405 1 19 . 1 1 505 505 GLN CB C 505 29.918 29.918 31.701 -1.783 18840 6406 1 19 . 1 1 505 505 GLN H H 505 8.450 8.450 8.511 -0.061 18840 6407 1 19 . 1 1 506 506 ILE N N 506 123.121 123.121 121.483 1.638 18840 6408 1 19 . 1 1 506 506 ILE HA H 506 4.303 4.303 4.415 -0.112 18840 6409 1 19 . 1 1 506 506 ILE C C 506 175.607 175.607 173.845 1.762 18840 6410 1 19 . 1 1 506 506 ILE CA C 506 60.346 60.346 61.396 -1.050 18840 6411 1 19 . 1 1 506 506 ILE CB C 506 39.046 39.046 40.225 -1.179 18840 6412 1 19 . 1 1 506 506 ILE H H 506 8.259 8.259 8.337 -0.078 18840 6413 1 19 . 1 1 507 507 ASP N N 507 126.258 126.258 126.321 -0.063 18840 6414 1 19 . 1 1 507 507 ASP HA H 507 4.909 4.909 4.774 0.135 18840 6415 1 19 . 1 1 507 507 ASP CA C 507 51.929 51.929 52.410 -0.481 18840 6416 1 19 . 1 1 507 507 ASP CB C 507 41.712 41.712 43.151 -1.439 18840 6417 1 19 . 1 1 507 507 ASP H H 507 8.419 8.419 8.161 0.258 18840 6418 1 19 . 1 1 508 508 PRO HA H 508 4.304 4.304 4.411 -0.107 18840 6419 1 19 . 1 1 508 508 PRO C C 508 176.539 176.539 175.875 0.664 18840 6420 1 19 . 1 1 508 508 PRO CA C 508 63.271 63.271 62.801 0.470 18840 6421 1 19 . 1 1 508 508 PRO CB C 508 32.117 32.117 32.389 -0.272 18840 6422 1 19 . 1 1 509 509 TYR N N 509 119.278 119.278 121.788 -2.510 18840 6423 1 19 . 1 1 509 509 TYR HA H 509 4.486 4.486 4.596 -0.110 18840 6424 1 19 . 1 1 509 509 TYR C C 509 175.814 175.814 176.298 -0.484 18840 6425 1 19 . 1 1 509 509 TYR CA C 509 57.945 57.945 57.359 0.586 18840 6426 1 19 . 1 1 509 509 TYR CB C 509 37.723 37.723 38.665 -0.942 18840 6427 1 19 . 1 1 509 509 TYR H H 509 8.218 8.218 8.366 -0.148 18840 6428 1 19 . 1 1 510 510 LEU N N 510 122.827 122.827 120.884 1.943 18840 6429 1 19 . 1 1 510 510 LEU HA H 510 4.254 4.254 4.311 -0.057 18840 6430 1 19 . 1 1 510 510 LEU C C 510 176.689 176.689 177.133 -0.444 18840 6431 1 19 . 1 1 510 510 LEU CA C 510 54.934 54.934 54.782 0.152 18840 6432 1 19 . 1 1 510 510 LEU CB C 510 42.647 42.647 41.925 0.722 18840 6433 1 19 . 1 1 510 510 LEU H H 510 7.655 7.655 7.688 -0.033 18840 6434 1 19 . 1 1 511 511 GLU N N 511 120.110 120.110 122.274 -2.164 18840 6435 1 19 . 1 1 511 511 GLU HA H 511 4.234 4.234 4.344 -0.110 18840 6436 1 19 . 1 1 511 511 GLU CA C 511 55.912 55.912 55.966 -0.054 18840 6437 1 19 . 1 1 511 511 GLU CB C 511 31.398 31.398 30.058 1.340 18840 6438 1 19 . 1 1 511 511 GLU H H 511 8.223 8.223 8.537 -0.314 18840 6439 1 19 . 1 1 512 512 ASP N N 512 120.430 120.430 120.652 -0.222 18840 6440 1 19 . 1 1 512 512 ASP HA H 512 4.439 4.439 4.688 -0.249 18840 6441 1 19 . 1 1 512 512 ASP C C 512 175.742 175.742 175.953 -0.211 18840 6442 1 19 . 1 1 512 512 ASP CA C 512 54.405 54.405 53.682 0.723 18840 6443 1 19 . 1 1 512 512 ASP CB C 512 40.977 40.977 42.136 -1.159 18840 6444 1 19 . 1 1 512 512 ASP H H 512 8.258 8.258 7.906 0.352 18840 6445 1 19 . 1 1 513 513 SER N N 513 116.712 116.712 115.612 1.100 18840 6446 1 19 . 1 1 513 513 SER HA H 513 4.282 4.282 4.161 0.121 18840 6447 1 19 . 1 1 513 513 SER C C 513 174.628 174.628 173.684 0.944 18840 6448 1 19 . 1 1 513 513 SER CA C 513 57.783 57.783 58.477 -0.694 18840 6449 1 19 . 1 1 513 513 SER CB C 513 64.481 64.481 63.317 1.164 18840 6450 1 19 . 1 1 513 513 SER H H 513 8.004 8.004 8.166 -0.162 18840 6451 1 19 . 1 1 514 514 LEU N N 514 124.291 124.291 123.401 0.890 18840 6452 1 19 . 1 1 514 514 LEU HA H 514 4.360 4.360 4.306 0.054 18840 6453 1 19 . 1 1 514 514 LEU C C 514 176.422 176.422 175.634 0.788 18840 6454 1 19 . 1 1 514 514 LEU CA C 514 54.896 54.896 54.891 0.005 18840 6455 1 19 . 1 1 514 514 LEU CB C 514 43.711 43.711 43.462 0.249 18840 6456 1 19 . 1 1 514 514 LEU H H 514 8.248 8.248 8.040 0.208 18840 6457 1 19 . 1 1 515 515 CYS N N 515 121.802 121.802 126.430 -4.628 18840 6458 1 19 . 1 1 515 515 CYS HA H 515 3.818 3.818 4.564 -0.746 18840 6459 1 19 . 1 1 515 515 CYS C C 515 177.418 177.418 176.324 1.094 18840 6460 1 19 . 1 1 515 515 CYS CA C 515 60.542 60.542 58.959 1.583 18840 6461 1 19 . 1 1 515 515 CYS CB C 515 31.859 31.859 26.611 5.248 18840 6462 1 19 . 1 1 515 515 CYS H H 515 8.418 8.418 8.444 -0.026 18840 6463 1 19 . 1 1 516 516 HIS N N 516 129.671 129.671 127.906 1.765 18840 6464 1 19 . 1 1 516 516 HIS HA H 516 4.497 4.497 4.418 0.079 18840 6465 1 19 . 1 1 516 516 HIS C C 516 175.845 175.845 176.066 -0.221 18840 6466 1 19 . 1 1 516 516 HIS CA C 516 58.672 58.672 57.366 1.306 18840 6467 1 19 . 1 1 516 516 HIS CB C 516 31.910 31.910 28.875 3.035 18840 6468 1 19 . 1 1 516 516 HIS H H 516 9.149 9.149 9.182 -0.033 18840 6469 1 19 . 1 1 517 517 ILE N N 517 121.766 121.766 119.404 2.362 18840 6470 1 19 . 1 1 517 517 ILE HA H 517 4.170 4.170 3.635 0.535 18840 6471 1 19 . 1 1 517 517 ILE C C 517 177.448 177.448 177.535 -0.087 18840 6472 1 19 . 1 1 517 517 ILE CA C 517 61.900 61.900 62.788 -0.888 18840 6473 1 19 . 1 1 517 517 ILE CB C 517 35.256 35.256 36.567 -1.311 18840 6474 1 19 . 1 1 517 517 ILE H H 517 9.347 9.347 7.470 1.877 18840 6475 1 19 . 1 1 518 518 CYS N N 518 118.774 118.774 115.494 3.280 18840 6476 1 19 . 1 1 518 518 CYS HA H 518 4.772 4.772 4.438 0.334 18840 6477 1 19 . 1 1 518 518 CYS C C 518 176.883 176.883 175.682 1.201 18840 6478 1 19 . 1 1 518 518 CYS CA C 518 59.309 59.309 58.361 0.948 18840 6479 1 19 . 1 1 518 518 CYS CB C 518 31.994 31.994 28.198 3.796 18840 6480 1 19 . 1 1 518 518 CYS H H 518 8.564 8.564 7.933 0.631 18840 6481 1 19 . 1 1 519 519 SER N N 519 116.362 116.362 115.551 0.811 18840 6482 1 19 . 1 1 519 519 SER HA H 519 4.403 4.403 4.225 0.178 18840 6483 1 19 . 1 1 519 519 SER C C 519 174.258 174.258 173.981 0.277 18840 6484 1 19 . 1 1 519 519 SER CA C 519 60.236 60.236 60.040 0.196 18840 6485 1 19 . 1 1 519 519 SER CB C 519 62.727 62.727 61.389 1.338 18840 6486 1 19 . 1 1 519 519 SER H H 519 7.619 7.619 8.680 -1.061 18840 6487 1 19 . 1 1 520 520 SER N N 520 113.506 113.506 114.358 -0.852 18840 6488 1 19 . 1 1 520 520 SER HA H 520 4.832 4.832 4.569 0.263 18840 6489 1 19 . 1 1 520 520 SER C C 520 172.953 172.953 173.060 -0.107 18840 6490 1 19 . 1 1 520 520 SER CA C 520 58.849 58.849 59.052 -0.203 18840 6491 1 19 . 1 1 520 520 SER CB C 520 65.701 65.701 64.336 1.365 18840 6492 1 19 . 1 1 520 520 SER H H 520 8.328 8.328 7.969 0.359 18840 6493 1 19 . 1 1 521 521 GLN N N 521 118.652 118.652 116.756 1.896 18840 6494 1 19 . 1 1 521 521 GLN HA H 521 4.932 4.932 4.712 0.220 18840 6495 1 19 . 1 1 521 521 GLN CA C 521 52.845 52.845 53.516 -0.670 18840 6496 1 19 . 1 1 521 521 GLN CB C 521 30.606 30.606 28.657 1.948 18840 6497 1 19 . 1 1 521 521 GLN H H 521 7.416 7.416 7.713 -0.297 18840 6498 1 19 . 1 1 522 522 PRO HA H 522 4.415 4.415 4.719 -0.304 18840 6499 1 19 . 1 1 522 522 PRO C C 522 175.086 175.086 177.059 -1.973 18840 6500 1 19 . 1 1 522 522 PRO CA C 522 63.782 63.782 62.735 1.047 18840 6501 1 19 . 1 1 522 522 PRO CB C 522 32.536 32.536 32.245 0.291 18840 6502 1 19 . 1 1 523 523 GLY N N 523 110.217 110.217 110.586 -0.369 18840 6503 1 19 . 1 1 523 523 GLY CA C 523 46.095 46.095 43.159 2.936 18840 6504 1 19 . 1 1 523 523 GLY H H 523 8.909 8.909 8.227 0.682 18840 6505 1 19 . 1 1 524 524 PRO HA H 524 4.457 4.457 4.175 0.282 18840 6506 1 19 . 1 1 524 524 PRO C C 524 176.040 176.040 175.954 0.086 18840 6507 1 19 . 1 1 524 524 PRO CA C 524 63.115 63.115 63.758 -0.643 18840 6508 1 19 . 1 1 524 524 PRO CB C 524 32.830 32.830 31.951 0.879 18840 6509 1 19 . 1 1 525 525 PHE N N 525 116.223 116.223 117.262 -1.039 18840 6510 1 19 . 1 1 525 525 PHE HA H 525 5.039 5.039 4.622 0.417 18840 6511 1 19 . 1 1 525 525 PHE C C 525 174.437 174.437 174.277 0.160 18840 6512 1 19 . 1 1 525 525 PHE CA C 525 56.080 56.080 57.352 -1.272 18840 6513 1 19 . 1 1 525 525 PHE CB C 525 39.780 39.780 41.123 -1.343 18840 6514 1 19 . 1 1 525 525 PHE H H 525 8.148 8.148 7.845 0.303 18840 6515 1 19 . 1 1 526 526 PHE N N 526 125.861 125.861 123.354 2.507 18840 6516 1 19 . 1 1 526 526 PHE HA H 526 5.102 5.102 5.494 -0.392 18840 6517 1 19 . 1 1 526 526 PHE C C 526 175.221 175.221 173.966 1.255 18840 6518 1 19 . 1 1 526 526 PHE CA C 526 56.865 56.865 56.307 0.558 18840 6519 1 19 . 1 1 526 526 PHE CB C 526 41.661 41.661 42.020 -0.359 18840 6520 1 19 . 1 1 526 526 PHE H H 526 9.522 9.522 8.591 0.931 18840 6521 1 19 . 1 1 527 527 CYS N N 527 128.663 128.663 128.479 0.184 18840 6522 1 19 . 1 1 527 527 CYS HA H 527 4.931 4.931 5.034 -0.103 18840 6523 1 19 . 1 1 527 527 CYS C C 527 174.052 174.052 174.352 -0.300 18840 6524 1 19 . 1 1 527 527 CYS CA C 527 58.267 58.267 56.748 1.519 18840 6525 1 19 . 1 1 527 527 CYS CB C 527 31.075 31.075 28.401 2.674 18840 6526 1 19 . 1 1 527 527 CYS H H 527 7.723 7.723 8.330 -0.607 18840 6527 1 19 . 1 1 528 528 ARG N N 528 125.354 125.354 126.795 -1.441 18840 6528 1 19 . 1 1 528 528 ARG HA H 528 4.148 4.148 4.574 -0.426 18840 6529 1 19 . 1 1 528 528 ARG C C 528 175.406 175.406 175.943 -0.537 18840 6530 1 19 . 1 1 528 528 ARG CA C 528 55.971 55.971 54.618 1.353 18840 6531 1 19 . 1 1 528 528 ARG CB C 528 31.165 31.165 29.520 1.645 18840 6532 1 19 . 1 1 528 528 ARG H H 528 8.866 8.866 8.751 0.115 18840 6533 1 19 . 1 1 529 529 ASP N N 529 124.001 124.001 121.399 2.602 18840 6534 1 19 . 1 1 529 529 ASP HA H 529 4.203 4.203 4.529 -0.326 18840 6535 1 19 . 1 1 529 529 ASP C C 529 178.105 178.105 177.641 0.464 18840 6536 1 19 . 1 1 529 529 ASP CA C 529 56.288 56.288 54.217 2.071 18840 6537 1 19 . 1 1 529 529 ASP CB C 529 43.574 43.574 42.227 1.347 18840 6538 1 19 . 1 1 529 529 ASP H H 529 8.198 8.198 7.430 0.768 18840 6539 1 19 . 1 1 530 530 GLN N N 530 125.372 125.372 123.346 2.026 18840 6540 1 19 . 1 1 530 530 GLN HA H 530 3.894 3.894 4.128 -0.234 18840 6541 1 19 . 1 1 530 530 GLN C C 530 177.471 177.471 176.024 1.447 18840 6542 1 19 . 1 1 530 530 GLN CA C 530 59.159 59.159 57.944 1.216 18840 6543 1 19 . 1 1 530 530 GLN CB C 530 28.731 28.731 27.746 0.985 18840 6544 1 19 . 1 1 530 530 GLN H H 530 8.746 8.746 8.624 0.122 18840 6545 1 19 . 1 1 531 531 VAL N N 531 113.137 113.137 118.363 -5.226 18840 6546 1 19 . 1 1 531 531 VAL HA H 531 4.282 4.282 3.961 0.321 18840 6547 1 19 . 1 1 531 531 VAL C C 531 176.295 176.295 177.609 -1.314 18840 6548 1 19 . 1 1 531 531 VAL CA C 531 63.324 63.324 64.811 -1.487 18840 6549 1 19 . 1 1 531 531 VAL CB C 531 31.457 31.457 32.463 -1.006 18840 6550 1 19 . 1 1 531 531 VAL H H 531 8.659 8.659 8.792 -0.133 18840 6551 1 19 . 1 1 532 532 CYS N N 532 121.034 121.034 116.944 4.090 18840 6552 1 19 . 1 1 532 532 CYS HA H 532 4.568 4.568 4.594 -0.026 18840 6553 1 19 . 1 1 532 532 CYS C C 532 172.994 172.994 174.329 -1.335 18840 6554 1 19 . 1 1 532 532 CYS CA C 532 60.437 60.437 60.470 -0.033 18840 6555 1 19 . 1 1 532 532 CYS CB C 532 31.856 31.856 28.354 3.502 18840 6556 1 19 . 1 1 532 532 CYS H H 532 8.023 8.023 7.507 0.516 18840 6557 1 19 . 1 1 533 533 PHE N N 533 129.389 129.389 119.675 9.714 18840 6558 1 19 . 1 1 533 533 PHE HA H 533 4.197 4.197 4.007 0.190 18840 6559 1 19 . 1 1 533 533 PHE C C 533 174.830 174.830 174.306 0.524 18840 6560 1 19 . 1 1 533 533 PHE CA C 533 59.754 59.754 58.941 0.812 18840 6561 1 19 . 1 1 533 533 PHE CB C 533 38.260 38.260 37.512 0.748 18840 6562 1 19 . 1 1 533 533 PHE H H 533 7.928 7.928 8.050 -0.122 18840 6563 1 19 . 1 1 534 534 LYS N N 534 113.676 113.676 117.513 -3.837 18840 6564 1 19 . 1 1 534 534 LYS HA H 534 4.466 4.466 4.767 -0.301 18840 6565 1 19 . 1 1 534 534 LYS C C 534 173.055 173.055 174.359 -1.304 18840 6566 1 19 . 1 1 534 534 LYS CA C 534 54.068 54.068 53.942 0.126 18840 6567 1 19 . 1 1 534 534 LYS CB C 534 37.800 37.800 36.255 1.545 18840 6568 1 19 . 1 1 534 534 LYS H H 534 6.430 6.430 7.440 -1.010 18840 6569 1 19 . 1 1 535 535 TYR N N 535 117.686 117.686 118.126 -0.440 18840 6570 1 19 . 1 1 535 535 TYR HA H 535 5.165 5.165 5.401 -0.236 18840 6571 1 19 . 1 1 535 535 TYR C C 535 175.888 175.888 175.751 0.137 18840 6572 1 19 . 1 1 535 535 TYR CA C 535 58.593 58.593 57.572 1.021 18840 6573 1 19 . 1 1 535 535 TYR CB C 535 40.020 40.020 39.796 0.224 18840 6574 1 19 . 1 1 535 535 TYR H H 535 7.145 7.145 8.654 -1.509 18840 6575 1 19 . 1 1 536 536 PHE N N 536 117.497 117.497 118.183 -0.686 18840 6576 1 19 . 1 1 536 536 PHE HA H 536 6.399 6.399 5.124 1.275 18840 6577 1 19 . 1 1 536 536 PHE C C 536 177.127 177.127 175.256 1.871 18840 6578 1 19 . 1 1 536 536 PHE CA C 536 57.056 57.056 56.866 0.190 18840 6579 1 19 . 1 1 536 536 PHE CB C 536 45.217 45.217 43.915 1.302 18840 6580 1 19 . 1 1 536 536 PHE H H 536 9.608 9.608 9.198 0.410 18840 6581 1 19 . 1 1 537 537 CYS N N 537 119.624 119.624 120.552 -0.928 18840 6582 1 19 . 1 1 537 537 CYS HA H 537 5.499 5.499 4.989 0.510 18840 6583 1 19 . 1 1 537 537 CYS C C 537 176.128 176.128 176.111 0.017 18840 6584 1 19 . 1 1 537 537 CYS CA C 537 58.097 58.097 58.616 -0.519 18840 6585 1 19 . 1 1 537 537 CYS CB C 537 32.306 32.306 29.773 2.533 18840 6586 1 19 . 1 1 537 537 CYS H H 537 9.777 9.777 9.161 0.616 18840 6587 1 19 . 1 1 538 538 ARG N N 538 120.573 120.573 122.803 -2.230 18840 6588 1 19 . 1 1 538 538 ARG HA H 538 3.791 3.791 3.980 -0.189 18840 6589 1 19 . 1 1 538 538 ARG C C 538 178.403 178.403 178.355 0.048 18840 6590 1 19 . 1 1 538 538 ARG CA C 538 60.937 60.937 59.764 1.173 18840 6591 1 19 . 1 1 538 538 ARG CB C 538 30.392 30.392 30.159 0.233 18840 6592 1 19 . 1 1 538 538 ARG H H 538 9.375 9.375 9.261 0.114 18840 6593 1 19 . 1 1 539 539 SER N N 539 114.562 114.562 113.028 1.534 18840 6594 1 19 . 1 1 539 539 SER HA H 539 4.491 4.491 4.386 0.105 18840 6595 1 19 . 1 1 539 539 SER C C 539 178.610 178.610 175.889 2.721 18840 6596 1 19 . 1 1 539 539 SER CA C 539 62.159 62.159 61.015 1.144 18840 6597 1 19 . 1 1 539 539 SER CB C 539 62.934 62.934 62.861 0.073 18840 6598 1 19 . 1 1 539 539 SER H H 539 8.549 8.549 8.970 -0.421 18840 6599 1 19 . 1 1 540 540 CYS N N 540 126.990 126.990 122.068 4.922 18840 6600 1 19 . 1 1 540 540 CYS HA H 540 4.454 4.454 4.542 -0.088 18840 6601 1 19 . 1 1 540 540 CYS C C 540 178.546 178.546 177.178 1.368 18840 6602 1 19 . 1 1 540 540 CYS CA C 540 65.024 65.024 61.974 3.050 18840 6603 1 19 . 1 1 540 540 CYS CB C 540 30.747 30.747 26.326 4.421 18840 6604 1 19 . 1 1 540 540 CYS H H 540 9.534 9.534 8.358 1.176 18840 6605 1 19 . 1 1 541 541 TRP N N 541 121.037 121.037 122.202 -1.165 18840 6606 1 19 . 1 1 541 541 TRP HA H 541 3.319 3.319 4.168 -0.849 18840 6607 1 19 . 1 1 541 541 TRP C C 541 179.671 179.671 177.696 1.975 18840 6608 1 19 . 1 1 541 541 TRP CA C 541 62.783 62.783 61.059 1.724 18840 6609 1 19 . 1 1 541 541 TRP CB C 541 27.747 27.747 28.897 -1.150 18840 6610 1 19 . 1 1 541 541 TRP H H 541 9.632 9.632 9.016 0.616 18840 6611 1 19 . 1 1 542 542 HIS N N 542 119.251 119.251 120.785 -1.534 18840 6612 1 19 . 1 1 542 542 HIS HA H 542 4.330 4.330 4.289 0.041 18840 6613 1 19 . 1 1 542 542 HIS C C 542 177.291 177.291 177.349 -0.058 18840 6614 1 19 . 1 1 542 542 HIS CA C 542 59.909 59.909 60.880 -0.971 18840 6615 1 19 . 1 1 542 542 HIS CB C 542 30.594 30.594 30.006 0.588 18840 6616 1 19 . 1 1 542 542 HIS H H 542 8.073 8.073 8.040 0.033 18840 6617 1 19 . 1 1 543 543 TRP N N 543 121.212 121.212 120.321 0.891 18840 6618 1 19 . 1 1 543 543 TRP HA H 543 4.231 4.231 4.150 0.081 18840 6619 1 19 . 1 1 543 543 TRP C C 543 178.256 178.256 178.000 0.256 18840 6620 1 19 . 1 1 543 543 TRP CA C 543 60.959 60.959 60.910 0.049 18840 6621 1 19 . 1 1 543 543 TRP CB C 543 28.593 28.593 29.632 -1.039 18840 6622 1 19 . 1 1 543 543 TRP H H 543 8.200 8.200 8.443 -0.243 18840 6623 1 19 . 1 1 544 544 ARG N N 544 118.044 118.044 119.045 -1.001 18840 6624 1 19 . 1 1 544 544 ARG HA H 544 3.199 3.199 3.408 -0.209 18840 6625 1 19 . 1 1 544 544 ARG C C 544 176.093 176.093 178.296 -2.203 18840 6626 1 19 . 1 1 544 544 ARG CA C 544 57.149 57.149 57.596 -0.447 18840 6627 1 19 . 1 1 544 544 ARG CB C 544 29.942 29.942 29.186 0.756 18840 6628 1 19 . 1 1 544 544 ARG H H 544 8.194 8.194 7.996 0.198 18840 6629 1 19 . 1 1 545 545 HIS N N 545 109.049 109.049 115.876 -6.827 18840 6630 1 19 . 1 1 545 545 HIS HA H 545 3.781 3.781 4.135 -0.354 18840 6631 1 19 . 1 1 545 545 HIS C C 545 173.247 173.247 176.248 -3.001 18840 6632 1 19 . 1 1 545 545 HIS CA C 545 58.848 58.848 57.251 1.597 18840 6633 1 19 . 1 1 545 545 HIS CB C 545 25.314 25.314 28.945 -3.631 18840 6634 1 19 . 1 1 545 545 HIS H H 545 7.410 7.410 7.785 -0.375 18840 6635 1 19 . 1 1 546 546 SER N N 546 112.353 112.353 114.637 -2.284 18840 6636 1 19 . 1 1 546 546 SER HA H 546 4.336 4.336 4.017 0.319 18840 6637 1 19 . 1 1 546 546 SER C C 546 174.714 174.714 174.714 0.000 18840 6638 1 19 . 1 1 546 546 SER CA C 546 59.042 59.042 58.847 0.195 18840 6639 1 19 . 1 1 546 546 SER CB C 546 63.464 63.464 62.972 0.492 18840 6640 1 19 . 1 1 546 546 SER H H 546 6.948 6.948 7.266 -0.318 18840 6641 1 19 . 1 1 547 547 MET N N 547 121.366 121.366 121.093 0.273 18840 6642 1 19 . 1 1 547 547 MET HA H 547 4.188 4.188 4.070 0.118 18840 6643 1 19 . 1 1 547 547 MET C C 547 175.421 175.421 175.824 -0.403 18840 6644 1 19 . 1 1 547 547 MET CA C 547 55.504 55.504 55.693 -0.189 18840 6645 1 19 . 1 1 547 547 MET CB C 547 33.318 33.318 32.779 0.539 18840 6646 1 19 . 1 1 547 547 MET H H 547 6.821 6.821 6.896 -0.075 18840 6647 1 19 . 1 1 548 548 GLU N N 548 122.898 122.898 122.619 0.279 18840 6648 1 19 . 1 1 548 548 GLU HA H 548 3.807 3.807 4.035 -0.228 18840 6649 1 19 . 1 1 548 548 GLU C C 548 176.918 176.918 177.357 -0.439 18840 6650 1 19 . 1 1 548 548 GLU CA C 548 58.746 58.746 57.957 0.789 18840 6651 1 19 . 1 1 548 548 GLU CB C 548 29.505 29.505 29.677 -0.173 18840 6652 1 19 . 1 1 548 548 GLU H H 548 8.515 8.515 8.442 0.073 18840 6653 1 19 . 1 1 549 549 GLY N N 549 112.898 112.898 112.809 0.089 18840 6654 1 19 . 1 1 549 549 GLY C C 549 174.645 174.645 174.626 0.019 18840 6655 1 19 . 1 1 549 549 GLY CA C 549 45.411 45.411 45.214 0.197 18840 6656 1 19 . 1 1 549 549 GLY H H 549 8.950 8.950 8.739 0.211 18840 6657 1 19 . 1 1 550 550 LEU N N 550 118.164 118.164 119.439 -1.275 18840 6658 1 19 . 1 1 550 550 LEU HA H 550 3.928 3.928 4.284 -0.356 18840 6659 1 19 . 1 1 550 550 LEU C C 550 177.030 177.030 177.573 -0.543 18840 6660 1 19 . 1 1 550 550 LEU CA C 550 54.291 54.291 53.801 0.490 18840 6661 1 19 . 1 1 550 550 LEU CB C 550 42.968 42.968 41.320 1.648 18840 6662 1 19 . 1 1 550 550 LEU H H 550 7.702 7.702 7.371 0.331 18840 6663 1 19 . 1 1 551 551 ARG N N 551 115.914 115.914 118.313 -2.399 18840 6664 1 19 . 1 1 551 551 ARG HA H 551 4.405 4.405 4.050 0.355 18840 6665 1 19 . 1 1 551 551 ARG C C 551 177.206 177.206 176.249 0.957 18840 6666 1 19 . 1 1 551 551 ARG CA C 551 58.406 58.406 57.893 0.513 18840 6667 1 19 . 1 1 551 551 ARG CB C 551 30.360 30.360 29.279 1.081 18840 6668 1 19 . 1 1 551 551 ARG H H 551 7.299 7.299 8.245 -0.946 18840 6669 1 19 . 1 1 552 552 HIS N N 552 113.766 113.766 115.436 -1.670 18840 6670 1 19 . 1 1 552 552 HIS HA H 552 4.692 4.692 4.684 0.008 18840 6671 1 19 . 1 1 552 552 HIS C C 552 175.959 175.959 174.835 1.124 18840 6672 1 19 . 1 1 552 552 HIS CA C 552 56.223 56.223 55.297 0.926 18840 6673 1 19 . 1 1 552 552 HIS CB C 552 30.228 30.228 29.395 0.834 18840 6674 1 19 . 1 1 552 552 HIS H H 552 8.480 8.480 8.094 0.386 18840 6675 1 19 . 1 1 553 553 HIS N N 553 122.502 122.502 120.551 1.951 18840 6676 1 19 . 1 1 553 553 HIS HA H 553 4.459 4.459 4.249 0.210 18840 6677 1 19 . 1 1 553 553 HIS C C 553 174.820 174.820 174.763 0.057 18840 6678 1 19 . 1 1 553 553 HIS CA C 553 55.553 55.553 56.653 -1.100 18840 6679 1 19 . 1 1 553 553 HIS CB C 553 31.320 31.320 30.182 1.138 18840 6680 1 19 . 1 1 553 553 HIS H H 553 6.954 6.954 7.264 -0.310 18840 6681 1 19 . 1 1 554 554 SER N N 554 117.586 117.586 117.251 0.335 18840 6682 1 19 . 1 1 554 554 SER HA H 554 5.128 5.128 4.959 0.169 18840 6683 1 19 . 1 1 554 554 SER CA C 554 55.199 55.199 55.955 -0.756 18840 6684 1 19 . 1 1 554 554 SER CB C 554 64.833 64.833 65.020 -0.187 18840 6685 1 19 . 1 1 554 554 SER H H 554 8.668 8.668 8.443 0.225 18840 6686 1 19 . 1 1 555 555 PRO HA H 555 4.296 4.296 5.022 -0.726 18840 6687 1 19 . 1 1 555 555 PRO C C 555 176.447 176.447 177.431 -0.984 18840 6688 1 19 . 1 1 555 555 PRO CA C 555 63.029 63.029 62.447 0.582 18840 6689 1 19 . 1 1 555 555 PRO CB C 555 31.779 31.779 32.270 -0.491 18840 6690 1 19 . 1 1 556 556 LEU N N 556 123.469 123.469 119.788 3.681 18840 6691 1 19 . 1 1 556 556 LEU HA H 556 4.788 4.788 4.474 0.314 18840 6692 1 19 . 1 1 556 556 LEU C C 556 176.176 176.176 176.548 -0.372 18840 6693 1 19 . 1 1 556 556 LEU CA C 556 54.247 54.247 55.983 -1.736 18840 6694 1 19 . 1 1 556 556 LEU CB C 556 44.237 44.237 42.334 1.903 18840 6695 1 19 . 1 1 556 556 LEU H H 556 8.802 8.802 7.947 0.856 18840 6696 1 19 . 1 1 557 557 MET N N 557 122.362 122.362 121.222 1.140 18840 6697 1 19 . 1 1 557 557 MET HA H 557 4.983 4.983 4.728 0.255 18840 6698 1 19 . 1 1 557 557 MET C C 557 175.983 175.983 175.436 0.547 18840 6699 1 19 . 1 1 557 557 MET CA C 557 54.641 54.641 54.327 0.314 18840 6700 1 19 . 1 1 557 557 MET CB C 557 34.181 34.181 35.050 -0.869 18840 6701 1 19 . 1 1 557 557 MET H H 557 8.624 8.624 8.162 0.462 18840 6702 1 19 . 1 1 558 558 ARG N N 558 123.450 123.450 122.752 0.698 18840 6703 1 19 . 1 1 558 558 ARG HA H 558 4.302 4.302 4.512 -0.210 18840 6704 1 19 . 1 1 558 558 ARG CA C 558 56.545 56.545 56.096 0.449 18840 6705 1 19 . 1 1 558 558 ARG CB C 558 31.139 31.139 30.947 0.192 18840 6706 1 19 . 1 1 558 558 ARG H H 558 8.901 8.901 8.444 0.457 18840 6707 1 19 . 1 1 559 559 ASN HA H 559 4.642 4.642 4.596 0.046 18840 6708 1 19 . 1 1 559 559 ASN CA C 559 53.286 53.286 53.825 -0.539 18840 6709 1 19 . 1 1 559 559 ASN CB C 559 38.877 38.877 38.784 0.093 18840 6710 1 19 . 1 1 560 560 GLN N N 560 121.173 121.173 118.125 3.048 18840 6711 1 19 . 1 1 560 560 GLN HA H 560 4.308 4.308 4.049 0.259 18840 6712 1 19 . 1 1 560 560 GLN C C 560 175.883 175.883 173.969 1.914 18840 6713 1 19 . 1 1 560 560 GLN CA C 560 56.023 56.023 56.742 -0.720 18840 6714 1 19 . 1 1 560 560 GLN CB C 560 29.702 29.702 28.141 1.561 18840 6715 1 19 . 1 1 560 560 GLN H H 560 8.284 8.284 8.562 -0.278 18840 6716 1 19 . 1 1 561 561 LYS N N 561 122.223 122.223 114.645 7.578 18840 6717 1 19 . 1 1 561 561 LYS HA H 561 4.267 4.267 4.570 -0.303 18840 6718 1 19 . 1 1 561 561 LYS C C 561 176.349 176.349 174.170 2.179 18840 6719 1 19 . 1 1 561 561 LYS CA C 561 56.659 56.659 55.474 1.185 18840 6720 1 19 . 1 1 561 561 LYS CB C 561 32.966 32.966 34.106 -1.140 18840 6721 1 19 . 1 1 561 561 LYS H H 561 8.350 8.350 7.559 0.791 18840 6722 1 19 . 1 1 562 562 ASN N N 562 119.683 119.683 118.105 1.578 18840 6723 1 19 . 1 1 562 562 ASN HA H 562 4.681 4.681 5.152 -0.471 18840 6724 1 19 . 1 1 562 562 ASN C C 562 175.298 175.298 173.501 1.797 18840 6725 1 19 . 1 1 562 562 ASN CA C 562 53.375 53.375 52.651 0.724 18840 6726 1 19 . 1 1 562 562 ASN CB C 562 38.920 38.920 40.419 -1.500 18840 6727 1 19 . 1 1 562 562 ASN H H 562 8.440 8.440 8.770 -0.330 18840 6728 1 19 . 1 1 563 563 ARG N N 563 121.405 121.405 122.958 -1.553 18840 6729 1 19 . 1 1 563 563 ARG HA H 563 4.315 4.315 4.640 -0.325 18840 6730 1 19 . 1 1 563 563 ARG C C 563 176.088 176.088 174.818 1.270 18840 6731 1 19 . 1 1 563 563 ARG CA C 563 56.489 56.489 55.108 1.381 18840 6732 1 19 . 1 1 563 563 ARG CB C 563 30.775 30.775 32.241 -1.466 18840 6733 1 19 . 1 1 563 563 ARG H H 563 8.333 8.333 8.448 -0.115 18840 6734 1 19 . 1 1 564 564 ASP N N 564 121.203 121.203 120.755 0.448 18840 6735 1 19 . 1 1 564 564 ASP HA H 564 4.667 4.667 4.679 -0.012 18840 6736 1 19 . 1 1 564 564 ASP C C 564 176.148 176.148 177.199 -1.051 18840 6737 1 19 . 1 1 564 564 ASP CA C 564 54.597 54.597 54.034 0.563 18840 6738 1 19 . 1 1 564 564 ASP CB C 564 41.249 41.249 41.816 -0.567 18840 6739 1 19 . 1 1 564 564 ASP H H 564 8.387 8.387 8.411 -0.024 18840 6740 1 19 . 1 1 565 565 SER N N 565 116.058 116.058 117.345 -1.287 18840 6741 1 19 . 1 1 565 565 SER HA H 565 4.528 4.528 4.383 0.145 18840 6742 1 19 . 1 1 565 565 SER C C 565 173.755 173.755 175.189 -1.434 18840 6743 1 19 . 1 1 565 565 SER CA C 565 58.266 58.266 59.435 -1.169 18840 6744 1 19 . 1 1 565 565 SER CB C 565 64.077 64.077 63.509 0.568 18840 6745 1 19 . 1 1 565 565 SER H H 565 8.186 8.186 8.481 -0.295 18840 6746 1 20 . 1 1 503 503 PRO HA H 503 4.533 4.533 4.539 -0.006 18840 6747 1 20 . 1 1 503 503 PRO C C 503 176.777 176.777 177.034 -0.257 18840 6748 1 20 . 1 1 503 503 PRO CA C 503 62.962 62.962 62.197 0.765 18840 6749 1 20 . 1 1 503 503 PRO CB C 503 32.403 32.403 33.189 -0.786 18840 6750 1 20 . 1 1 504 504 VAL N N 504 120.734 120.734 117.630 3.104 18840 6751 1 20 . 1 1 504 504 VAL HA H 504 4.102 4.102 4.221 -0.119 18840 6752 1 20 . 1 1 504 504 VAL C C 504 175.887 175.887 174.699 1.188 18840 6753 1 20 . 1 1 504 504 VAL CA C 504 62.483 62.483 61.922 0.561 18840 6754 1 20 . 1 1 504 504 VAL CB C 504 32.864 32.864 30.360 2.504 18840 6755 1 20 . 1 1 504 504 VAL H H 504 8.290 8.290 8.464 -0.174 18840 6756 1 20 . 1 1 505 505 GLN N N 505 125.069 125.069 119.216 5.853 18840 6757 1 20 . 1 1 505 505 GLN HA H 505 4.430 4.430 4.472 -0.042 18840 6758 1 20 . 1 1 505 505 GLN C C 505 175.207 175.207 174.626 0.581 18840 6759 1 20 . 1 1 505 505 GLN CA C 505 55.476 55.476 55.574 -0.098 18840 6760 1 20 . 1 1 505 505 GLN CB C 505 29.918 29.918 32.054 -2.136 18840 6761 1 20 . 1 1 505 505 GLN H H 505 8.450 8.450 7.451 0.999 18840 6762 1 20 . 1 1 506 506 ILE N N 506 123.121 123.121 125.231 -2.110 18840 6763 1 20 . 1 1 506 506 ILE HA H 506 4.303 4.303 4.306 -0.003 18840 6764 1 20 . 1 1 506 506 ILE C C 506 175.607 175.607 174.357 1.250 18840 6765 1 20 . 1 1 506 506 ILE CA C 506 60.346 60.346 60.651 -0.305 18840 6766 1 20 . 1 1 506 506 ILE CB C 506 39.046 39.046 38.889 0.157 18840 6767 1 20 . 1 1 506 506 ILE H H 506 8.259 8.259 8.436 -0.177 18840 6768 1 20 . 1 1 507 507 ASP N N 507 126.258 126.258 128.185 -1.927 18840 6769 1 20 . 1 1 507 507 ASP HA H 507 4.909 4.909 4.707 0.202 18840 6770 1 20 . 1 1 507 507 ASP CA C 507 51.929 51.929 50.469 1.460 18840 6771 1 20 . 1 1 507 507 ASP CB C 507 41.712 41.712 41.216 0.496 18840 6772 1 20 . 1 1 507 507 ASP H H 507 8.419 8.419 8.237 0.182 18840 6773 1 20 . 1 1 508 508 PRO HA H 508 4.304 4.304 3.737 0.567 18840 6774 1 20 . 1 1 508 508 PRO C C 508 176.539 176.539 176.294 0.245 18840 6775 1 20 . 1 1 508 508 PRO CA C 508 63.271 63.271 62.432 0.839 18840 6776 1 20 . 1 1 508 508 PRO CB C 508 32.117 32.117 31.520 0.597 18840 6777 1 20 . 1 1 509 509 TYR N N 509 119.278 119.278 113.871 5.407 18840 6778 1 20 . 1 1 509 509 TYR HA H 509 4.486 4.486 4.158 0.328 18840 6779 1 20 . 1 1 509 509 TYR C C 509 175.814 175.814 174.953 0.861 18840 6780 1 20 . 1 1 509 509 TYR CA C 509 57.945 57.945 58.440 -0.495 18840 6781 1 20 . 1 1 509 509 TYR CB C 509 37.723 37.723 35.395 2.329 18840 6782 1 20 . 1 1 509 509 TYR H H 509 8.218 8.218 8.005 0.213 18840 6783 1 20 . 1 1 510 510 LEU N N 510 122.827 122.827 117.832 4.995 18840 6784 1 20 . 1 1 510 510 LEU HA H 510 4.254 4.254 4.556 -0.302 18840 6785 1 20 . 1 1 510 510 LEU C C 510 176.689 176.689 175.877 0.812 18840 6786 1 20 . 1 1 510 510 LEU CA C 510 54.934 54.934 53.520 1.414 18840 6787 1 20 . 1 1 510 510 LEU CB C 510 42.647 42.647 45.733 -3.086 18840 6788 1 20 . 1 1 510 510 LEU H H 510 7.655 7.655 7.558 0.097 18840 6789 1 20 . 1 1 511 511 GLU N N 511 120.110 120.110 121.370 -1.260 18840 6790 1 20 . 1 1 511 511 GLU HA H 511 4.234 4.234 4.622 -0.388 18840 6791 1 20 . 1 1 511 511 GLU CA C 511 55.912 55.912 55.961 -0.049 18840 6792 1 20 . 1 1 511 511 GLU CB C 511 31.398 31.398 31.944 -0.546 18840 6793 1 20 . 1 1 511 511 GLU H H 511 8.223 8.223 8.342 -0.119 18840 6794 1 20 . 1 1 512 512 ASP N N 512 120.430 120.430 122.658 -2.228 18840 6795 1 20 . 1 1 512 512 ASP HA H 512 4.439 4.439 4.416 0.023 18840 6796 1 20 . 1 1 512 512 ASP C C 512 175.742 175.742 175.115 0.627 18840 6797 1 20 . 1 1 512 512 ASP CA C 512 54.405 54.405 55.362 -0.957 18840 6798 1 20 . 1 1 512 512 ASP CB C 512 40.977 40.977 40.238 0.739 18840 6799 1 20 . 1 1 512 512 ASP H H 512 8.258 8.258 8.901 -0.643 18840 6800 1 20 . 1 1 513 513 SER N N 513 116.712 116.712 114.223 2.489 18840 6801 1 20 . 1 1 513 513 SER HA H 513 4.282 4.282 4.454 -0.172 18840 6802 1 20 . 1 1 513 513 SER C C 513 174.628 174.628 174.310 0.318 18840 6803 1 20 . 1 1 513 513 SER CA C 513 57.783 57.783 58.244 -0.461 18840 6804 1 20 . 1 1 513 513 SER CB C 513 64.481 64.481 64.118 0.364 18840 6805 1 20 . 1 1 513 513 SER H H 513 8.004 8.004 8.211 -0.207 18840 6806 1 20 . 1 1 514 514 LEU N N 514 124.291 124.291 122.519 1.772 18840 6807 1 20 . 1 1 514 514 LEU HA H 514 4.360 4.360 4.226 0.134 18840 6808 1 20 . 1 1 514 514 LEU C C 514 176.422 176.422 176.730 -0.308 18840 6809 1 20 . 1 1 514 514 LEU CA C 514 54.896 54.896 54.869 0.027 18840 6810 1 20 . 1 1 514 514 LEU CB C 514 43.711 43.711 41.893 1.818 18840 6811 1 20 . 1 1 514 514 LEU H H 514 8.248 8.248 8.244 0.004 18840 6812 1 20 . 1 1 515 515 CYS N N 515 121.802 121.802 124.587 -2.785 18840 6813 1 20 . 1 1 515 515 CYS HA H 515 3.818 3.818 4.382 -0.564 18840 6814 1 20 . 1 1 515 515 CYS C C 515 177.418 177.418 176.243 1.175 18840 6815 1 20 . 1 1 515 515 CYS CA C 515 60.542 60.542 59.471 1.071 18840 6816 1 20 . 1 1 515 515 CYS CB C 515 31.859 31.859 28.071 3.788 18840 6817 1 20 . 1 1 515 515 CYS H H 515 8.418 8.418 8.523 -0.105 18840 6818 1 20 . 1 1 516 516 HIS N N 516 129.671 129.671 127.238 2.433 18840 6819 1 20 . 1 1 516 516 HIS HA H 516 4.497 4.497 4.409 0.088 18840 6820 1 20 . 1 1 516 516 HIS C C 516 175.845 175.845 176.073 -0.228 18840 6821 1 20 . 1 1 516 516 HIS CA C 516 58.672 58.672 58.911 -0.239 18840 6822 1 20 . 1 1 516 516 HIS CB C 516 31.910 31.910 29.477 2.433 18840 6823 1 20 . 1 1 516 516 HIS H H 516 9.149 9.149 8.703 0.446 18840 6824 1 20 . 1 1 517 517 ILE N N 517 121.766 121.766 118.204 3.562 18840 6825 1 20 . 1 1 517 517 ILE HA H 517 4.170 4.170 4.036 0.134 18840 6826 1 20 . 1 1 517 517 ILE C C 517 177.448 177.448 177.100 0.348 18840 6827 1 20 . 1 1 517 517 ILE CA C 517 61.900 61.900 62.482 -0.582 18840 6828 1 20 . 1 1 517 517 ILE CB C 517 35.256 35.256 37.745 -2.489 18840 6829 1 20 . 1 1 517 517 ILE H H 517 9.347 9.347 7.760 1.587 18840 6830 1 20 . 1 1 518 518 CYS N N 518 118.774 118.774 117.049 1.725 18840 6831 1 20 . 1 1 518 518 CYS HA H 518 4.772 4.772 4.622 0.150 18840 6832 1 20 . 1 1 518 518 CYS C C 518 176.883 176.883 176.091 0.792 18840 6833 1 20 . 1 1 518 518 CYS CA C 518 59.309 59.309 58.956 0.353 18840 6834 1 20 . 1 1 518 518 CYS CB C 518 31.994 31.994 29.102 2.892 18840 6835 1 20 . 1 1 518 518 CYS H H 518 8.564 8.564 8.373 0.191 18840 6836 1 20 . 1 1 519 519 SER N N 519 116.362 116.362 116.022 0.340 18840 6837 1 20 . 1 1 519 519 SER HA H 519 4.403 4.403 4.093 0.310 18840 6838 1 20 . 1 1 519 519 SER C C 519 174.258 174.258 174.575 -0.317 18840 6839 1 20 . 1 1 519 519 SER CA C 519 60.236 60.236 60.543 -0.307 18840 6840 1 20 . 1 1 519 519 SER CB C 519 62.727 62.727 60.629 2.098 18840 6841 1 20 . 1 1 519 519 SER H H 519 7.619 7.619 8.544 -0.925 18840 6842 1 20 . 1 1 520 520 SER N N 520 113.506 113.506 113.102 0.404 18840 6843 1 20 . 1 1 520 520 SER HA H 520 4.832 4.832 4.564 0.268 18840 6844 1 20 . 1 1 520 520 SER C C 520 172.953 172.953 174.328 -1.375 18840 6845 1 20 . 1 1 520 520 SER CA C 520 58.849 58.849 58.441 0.407 18840 6846 1 20 . 1 1 520 520 SER CB C 520 65.701 65.701 64.218 1.483 18840 6847 1 20 . 1 1 520 520 SER H H 520 8.328 8.328 8.053 0.275 18840 6848 1 20 . 1 1 521 521 GLN N N 521 118.652 118.652 119.778 -1.126 18840 6849 1 20 . 1 1 521 521 GLN HA H 521 4.932 4.932 4.879 0.053 18840 6850 1 20 . 1 1 521 521 GLN CA C 521 52.845 52.845 52.817 0.028 18840 6851 1 20 . 1 1 521 521 GLN CB C 521 30.606 30.606 31.455 -0.849 18840 6852 1 20 . 1 1 521 521 GLN H H 521 7.416 7.416 7.795 -0.379 18840 6853 1 20 . 1 1 522 522 PRO HA H 522 4.415 4.415 4.780 -0.365 18840 6854 1 20 . 1 1 522 522 PRO C C 522 175.086 175.086 176.841 -1.755 18840 6855 1 20 . 1 1 522 522 PRO CA C 522 63.782 63.782 62.447 1.335 18840 6856 1 20 . 1 1 522 522 PRO CB C 522 32.536 32.536 32.366 0.170 18840 6857 1 20 . 1 1 523 523 GLY N N 523 110.217 110.217 109.984 0.233 18840 6858 1 20 . 1 1 523 523 GLY CA C 523 46.095 46.095 42.987 3.108 18840 6859 1 20 . 1 1 523 523 GLY H H 523 8.909 8.909 8.076 0.833 18840 6860 1 20 . 1 1 524 524 PRO HA H 524 4.457 4.457 4.189 0.268 18840 6861 1 20 . 1 1 524 524 PRO C C 524 176.040 176.040 176.066 -0.026 18840 6862 1 20 . 1 1 524 524 PRO CA C 524 63.115 63.115 63.573 -0.458 18840 6863 1 20 . 1 1 524 524 PRO CB C 524 32.830 32.830 32.079 0.751 18840 6864 1 20 . 1 1 525 525 PHE N N 525 116.223 116.223 118.939 -2.716 18840 6865 1 20 . 1 1 525 525 PHE HA H 525 5.039 5.039 4.568 0.471 18840 6866 1 20 . 1 1 525 525 PHE C C 525 174.437 174.437 174.109 0.328 18840 6867 1 20 . 1 1 525 525 PHE CA C 525 56.080 56.080 57.569 -1.489 18840 6868 1 20 . 1 1 525 525 PHE CB C 525 39.780 39.780 40.767 -0.988 18840 6869 1 20 . 1 1 525 525 PHE H H 525 8.148 8.148 7.714 0.434 18840 6870 1 20 . 1 1 526 526 PHE N N 526 125.861 125.861 123.773 2.088 18840 6871 1 20 . 1 1 526 526 PHE HA H 526 5.102 5.102 5.517 -0.415 18840 6872 1 20 . 1 1 526 526 PHE C C 526 175.221 175.221 174.134 1.087 18840 6873 1 20 . 1 1 526 526 PHE CA C 526 56.865 56.865 56.554 0.311 18840 6874 1 20 . 1 1 526 526 PHE CB C 526 41.661 41.661 41.954 -0.293 18840 6875 1 20 . 1 1 526 526 PHE H H 526 9.522 9.522 8.560 0.962 18840 6876 1 20 . 1 1 527 527 CYS N N 527 128.663 128.663 128.237 0.426 18840 6877 1 20 . 1 1 527 527 CYS HA H 527 4.931 4.931 4.966 -0.035 18840 6878 1 20 . 1 1 527 527 CYS C C 527 174.052 174.052 174.339 -0.287 18840 6879 1 20 . 1 1 527 527 CYS CA C 527 58.267 58.267 57.142 1.125 18840 6880 1 20 . 1 1 527 527 CYS CB C 527 31.075 31.075 29.401 1.675 18840 6881 1 20 . 1 1 527 527 CYS H H 527 7.723 7.723 8.414 -0.691 18840 6882 1 20 . 1 1 528 528 ARG N N 528 125.354 125.354 125.595 -0.241 18840 6883 1 20 . 1 1 528 528 ARG HA H 528 4.148 4.148 4.507 -0.359 18840 6884 1 20 . 1 1 528 528 ARG C C 528 175.406 175.406 176.239 -0.833 18840 6885 1 20 . 1 1 528 528 ARG CA C 528 55.971 55.971 56.143 -0.172 18840 6886 1 20 . 1 1 528 528 ARG CB C 528 31.165 31.165 30.653 0.512 18840 6887 1 20 . 1 1 528 528 ARG H H 528 8.866 8.866 8.864 0.002 18840 6888 1 20 . 1 1 529 529 ASP N N 529 124.001 124.001 120.510 3.491 18840 6889 1 20 . 1 1 529 529 ASP HA H 529 4.203 4.203 4.443 -0.240 18840 6890 1 20 . 1 1 529 529 ASP C C 529 178.105 178.105 177.443 0.662 18840 6891 1 20 . 1 1 529 529 ASP CA C 529 56.288 56.288 54.458 1.830 18840 6892 1 20 . 1 1 529 529 ASP CB C 529 43.574 43.574 41.868 1.706 18840 6893 1 20 . 1 1 529 529 ASP H H 529 8.198 8.198 7.385 0.813 18840 6894 1 20 . 1 1 530 530 GLN N N 530 125.372 125.372 124.613 0.759 18840 6895 1 20 . 1 1 530 530 GLN HA H 530 3.894 3.894 4.058 -0.164 18840 6896 1 20 . 1 1 530 530 GLN C C 530 177.471 177.471 176.853 0.618 18840 6897 1 20 . 1 1 530 530 GLN CA C 530 59.159 59.159 58.251 0.909 18840 6898 1 20 . 1 1 530 530 GLN CB C 530 28.731 28.731 28.946 -0.215 18840 6899 1 20 . 1 1 530 530 GLN H H 530 8.746 8.746 8.709 0.037 18840 6900 1 20 . 1 1 531 531 VAL N N 531 113.137 113.137 117.653 -4.516 18840 6901 1 20 . 1 1 531 531 VAL HA H 531 4.282 4.282 3.852 0.430 18840 6902 1 20 . 1 1 531 531 VAL C C 531 176.295 176.295 176.560 -0.265 18840 6903 1 20 . 1 1 531 531 VAL CA C 531 63.324 63.324 64.951 -1.627 18840 6904 1 20 . 1 1 531 531 VAL CB C 531 31.457 31.457 31.992 -0.535 18840 6905 1 20 . 1 1 531 531 VAL H H 531 8.659 8.659 9.010 -0.351 18840 6906 1 20 . 1 1 532 532 CYS N N 532 121.034 121.034 116.661 4.373 18840 6907 1 20 . 1 1 532 532 CYS HA H 532 4.568 4.568 4.731 -0.163 18840 6908 1 20 . 1 1 532 532 CYS C C 532 172.994 172.994 174.499 -1.505 18840 6909 1 20 . 1 1 532 532 CYS CA C 532 60.437 60.437 59.467 0.970 18840 6910 1 20 . 1 1 532 532 CYS CB C 532 31.856 31.856 29.113 2.743 18840 6911 1 20 . 1 1 532 532 CYS H H 532 8.023 8.023 7.511 0.512 18840 6912 1 20 . 1 1 533 533 PHE N N 533 129.389 129.389 120.246 9.143 18840 6913 1 20 . 1 1 533 533 PHE HA H 533 4.197 4.197 4.105 0.092 18840 6914 1 20 . 1 1 533 533 PHE C C 533 174.830 174.830 173.995 0.835 18840 6915 1 20 . 1 1 533 533 PHE CA C 533 59.754 59.754 58.855 0.899 18840 6916 1 20 . 1 1 533 533 PHE CB C 533 38.260 38.260 37.392 0.868 18840 6917 1 20 . 1 1 533 533 PHE H H 533 7.928 7.928 8.152 -0.224 18840 6918 1 20 . 1 1 534 534 LYS N N 534 113.676 113.676 115.200 -1.524 18840 6919 1 20 . 1 1 534 534 LYS HA H 534 4.466 4.466 4.538 -0.072 18840 6920 1 20 . 1 1 534 534 LYS C C 534 173.055 173.055 173.828 -0.773 18840 6921 1 20 . 1 1 534 534 LYS CA C 534 54.068 54.068 54.099 -0.031 18840 6922 1 20 . 1 1 534 534 LYS CB C 534 37.800 37.800 34.550 3.250 18840 6923 1 20 . 1 1 534 534 LYS H H 534 6.430 6.430 7.195 -0.765 18840 6924 1 20 . 1 1 535 535 TYR N N 535 117.686 117.686 118.025 -0.339 18840 6925 1 20 . 1 1 535 535 TYR HA H 535 5.165 5.165 5.541 -0.376 18840 6926 1 20 . 1 1 535 535 TYR C C 535 175.888 175.888 175.776 0.112 18840 6927 1 20 . 1 1 535 535 TYR CA C 535 58.593 58.593 57.227 1.366 18840 6928 1 20 . 1 1 535 535 TYR CB C 535 40.020 40.020 39.958 0.062 18840 6929 1 20 . 1 1 535 535 TYR H H 535 7.145 7.145 8.077 -0.932 18840 6930 1 20 . 1 1 536 536 PHE N N 536 117.497 117.497 118.358 -0.861 18840 6931 1 20 . 1 1 536 536 PHE HA H 536 6.399 6.399 5.150 1.249 18840 6932 1 20 . 1 1 536 536 PHE C C 536 177.127 177.127 175.282 1.845 18840 6933 1 20 . 1 1 536 536 PHE CA C 536 57.056 57.056 56.969 0.087 18840 6934 1 20 . 1 1 536 536 PHE CB C 536 45.217 45.217 44.080 1.137 18840 6935 1 20 . 1 1 536 536 PHE H H 536 9.608 9.608 9.132 0.476 18840 6936 1 20 . 1 1 537 537 CYS N N 537 119.624 119.624 120.198 -0.574 18840 6937 1 20 . 1 1 537 537 CYS HA H 537 5.499 5.499 5.125 0.374 18840 6938 1 20 . 1 1 537 537 CYS C C 537 176.128 176.128 176.398 -0.270 18840 6939 1 20 . 1 1 537 537 CYS CA C 537 58.097 58.097 58.080 0.017 18840 6940 1 20 . 1 1 537 537 CYS CB C 537 32.306 32.306 29.929 2.377 18840 6941 1 20 . 1 1 537 537 CYS H H 537 9.777 9.777 9.271 0.506 18840 6942 1 20 . 1 1 538 538 ARG N N 538 120.573 120.573 121.900 -1.327 18840 6943 1 20 . 1 1 538 538 ARG HA H 538 3.791 3.791 3.940 -0.149 18840 6944 1 20 . 1 1 538 538 ARG C C 538 178.403 178.403 177.856 0.547 18840 6945 1 20 . 1 1 538 538 ARG CA C 538 60.937 60.937 59.952 0.985 18840 6946 1 20 . 1 1 538 538 ARG CB C 538 30.392 30.392 29.643 0.749 18840 6947 1 20 . 1 1 538 538 ARG H H 538 9.375 9.375 9.144 0.231 18840 6948 1 20 . 1 1 539 539 SER N N 539 114.562 114.562 115.075 -0.513 18840 6949 1 20 . 1 1 539 539 SER HA H 539 4.491 4.491 4.509 -0.018 18840 6950 1 20 . 1 1 539 539 SER C C 539 178.610 178.610 176.534 2.076 18840 6951 1 20 . 1 1 539 539 SER CA C 539 62.159 62.159 60.555 1.604 18840 6952 1 20 . 1 1 539 539 SER CB C 539 62.934 62.934 63.000 -0.066 18840 6953 1 20 . 1 1 539 539 SER H H 539 8.549 8.549 8.502 0.047 18840 6954 1 20 . 1 1 540 540 CYS N N 540 126.990 126.990 122.057 4.933 18840 6955 1 20 . 1 1 540 540 CYS HA H 540 4.454 4.454 4.640 -0.186 18840 6956 1 20 . 1 1 540 540 CYS C C 540 178.546 178.546 177.188 1.358 18840 6957 1 20 . 1 1 540 540 CYS CA C 540 65.024 65.024 61.962 3.062 18840 6958 1 20 . 1 1 540 540 CYS CB C 540 30.747 30.747 26.366 4.381 18840 6959 1 20 . 1 1 540 540 CYS H H 540 9.534 9.534 8.369 1.165 18840 6960 1 20 . 1 1 541 541 TRP N N 541 121.037 121.037 122.092 -1.055 18840 6961 1 20 . 1 1 541 541 TRP HA H 541 3.319 3.319 4.064 -0.745 18840 6962 1 20 . 1 1 541 541 TRP C C 541 179.671 179.671 177.550 2.121 18840 6963 1 20 . 1 1 541 541 TRP CA C 541 62.783 62.783 61.120 1.663 18840 6964 1 20 . 1 1 541 541 TRP CB C 541 27.747 27.747 28.912 -1.165 18840 6965 1 20 . 1 1 541 541 TRP H H 541 9.632 9.632 9.095 0.537 18840 6966 1 20 . 1 1 542 542 HIS N N 542 119.251 119.251 120.801 -1.550 18840 6967 1 20 . 1 1 542 542 HIS HA H 542 4.330 4.330 4.246 0.084 18840 6968 1 20 . 1 1 542 542 HIS C C 542 177.291 177.291 177.137 0.154 18840 6969 1 20 . 1 1 542 542 HIS CA C 542 59.909 59.909 60.935 -1.026 18840 6970 1 20 . 1 1 542 542 HIS CB C 542 30.594 30.594 29.920 0.674 18840 6971 1 20 . 1 1 542 542 HIS H H 542 8.073 8.073 7.857 0.216 18840 6972 1 20 . 1 1 543 543 TRP N N 543 121.212 121.212 120.670 0.542 18840 6973 1 20 . 1 1 543 543 TRP HA H 543 4.231 4.231 4.150 0.081 18840 6974 1 20 . 1 1 543 543 TRP C C 543 178.256 178.256 177.575 0.681 18840 6975 1 20 . 1 1 543 543 TRP CA C 543 60.959 60.959 61.667 -0.708 18840 6976 1 20 . 1 1 543 543 TRP CB C 543 28.593 28.593 29.526 -0.933 18840 6977 1 20 . 1 1 543 543 TRP H H 543 8.200 8.200 8.390 -0.190 18840 6978 1 20 . 1 1 544 544 ARG N N 544 118.044 118.044 118.076 -0.032 18840 6979 1 20 . 1 1 544 544 ARG HA H 544 3.199 3.199 3.144 0.055 18840 6980 1 20 . 1 1 544 544 ARG C C 544 176.093 176.093 178.153 -2.060 18840 6981 1 20 . 1 1 544 544 ARG CA C 544 57.149 57.149 57.864 -0.715 18840 6982 1 20 . 1 1 544 544 ARG CB C 544 29.942 29.942 29.230 0.712 18840 6983 1 20 . 1 1 544 544 ARG H H 544 8.194 8.194 8.099 0.095 18840 6984 1 20 . 1 1 545 545 HIS N N 545 109.049 109.049 115.490 -6.441 18840 6985 1 20 . 1 1 545 545 HIS HA H 545 3.781 3.781 4.165 -0.384 18840 6986 1 20 . 1 1 545 545 HIS C C 545 173.247 173.247 175.856 -2.609 18840 6987 1 20 . 1 1 545 545 HIS CA C 545 58.848 58.848 57.134 1.714 18840 6988 1 20 . 1 1 545 545 HIS CB C 545 25.314 25.314 29.443 -4.129 18840 6989 1 20 . 1 1 545 545 HIS H H 545 7.410 7.410 7.662 -0.252 18840 6990 1 20 . 1 1 546 546 SER N N 546 112.353 112.353 115.153 -2.800 18840 6991 1 20 . 1 1 546 546 SER HA H 546 4.336 4.336 4.016 0.320 18840 6992 1 20 . 1 1 546 546 SER C C 546 174.714 174.714 174.121 0.593 18840 6993 1 20 . 1 1 546 546 SER CA C 546 59.042 59.042 59.479 -0.437 18840 6994 1 20 . 1 1 546 546 SER CB C 546 63.464 63.464 63.008 0.456 18840 6995 1 20 . 1 1 546 546 SER H H 546 6.948 6.948 7.468 -0.520 18840 6996 1 20 . 1 1 547 547 MET N N 547 121.366 121.366 119.437 1.929 18840 6997 1 20 . 1 1 547 547 MET HA H 547 4.188 4.188 4.114 0.074 18840 6998 1 20 . 1 1 547 547 MET C C 547 175.421 175.421 175.922 -0.501 18840 6999 1 20 . 1 1 547 547 MET CA C 547 55.504 55.504 55.321 0.183 18840 7000 1 20 . 1 1 547 547 MET CB C 547 33.318 33.318 32.074 1.244 18840 7001 1 20 . 1 1 547 547 MET H H 547 6.821 6.821 6.901 -0.080 18840 7002 1 20 . 1 1 548 548 GLU N N 548 122.898 122.898 124.991 -2.093 18840 7003 1 20 . 1 1 548 548 GLU HA H 548 3.807 3.807 4.057 -0.250 18840 7004 1 20 . 1 1 548 548 GLU C C 548 176.918 176.918 177.202 -0.284 18840 7005 1 20 . 1 1 548 548 GLU CA C 548 58.746 58.746 57.779 0.967 18840 7006 1 20 . 1 1 548 548 GLU CB C 548 29.505 29.505 29.763 -0.258 18840 7007 1 20 . 1 1 548 548 GLU H H 548 8.515 8.515 8.419 0.096 18840 7008 1 20 . 1 1 549 549 GLY N N 549 112.898 112.898 109.920 2.978 18840 7009 1 20 . 1 1 549 549 GLY C C 549 174.645 174.645 174.865 -0.220 18840 7010 1 20 . 1 1 549 549 GLY CA C 549 45.411 45.411 45.130 0.281 18840 7011 1 20 . 1 1 549 549 GLY H H 549 8.950 8.950 8.793 0.157 18840 7012 1 20 . 1 1 550 550 LEU N N 550 118.164 118.164 119.190 -1.026 18840 7013 1 20 . 1 1 550 550 LEU HA H 550 3.928 3.928 4.431 -0.503 18840 7014 1 20 . 1 1 550 550 LEU C C 550 177.030 177.030 177.315 -0.285 18840 7015 1 20 . 1 1 550 550 LEU CA C 550 54.291 54.291 53.759 0.532 18840 7016 1 20 . 1 1 550 550 LEU CB C 550 42.968 42.968 41.438 1.530 18840 7017 1 20 . 1 1 550 550 LEU H H 550 7.702 7.702 7.302 0.400 18840 7018 1 20 . 1 1 551 551 ARG N N 551 115.914 115.914 119.625 -3.711 18840 7019 1 20 . 1 1 551 551 ARG HA H 551 4.405 4.405 4.093 0.312 18840 7020 1 20 . 1 1 551 551 ARG C C 551 177.206 177.206 177.161 0.045 18840 7021 1 20 . 1 1 551 551 ARG CA C 551 58.406 58.406 57.684 0.722 18840 7022 1 20 . 1 1 551 551 ARG CB C 551 30.360 30.360 29.070 1.290 18840 7023 1 20 . 1 1 551 551 ARG H H 551 7.299 7.299 8.312 -1.013 18840 7024 1 20 . 1 1 552 552 HIS N N 552 113.766 113.766 113.714 0.052 18840 7025 1 20 . 1 1 552 552 HIS HA H 552 4.692 4.692 4.708 -0.016 18840 7026 1 20 . 1 1 552 552 HIS C C 552 175.959 175.959 175.141 0.818 18840 7027 1 20 . 1 1 552 552 HIS CA C 552 56.223 56.223 55.693 0.530 18840 7028 1 20 . 1 1 552 552 HIS CB C 552 30.228 30.228 29.394 0.834 18840 7029 1 20 . 1 1 552 552 HIS H H 552 8.480 8.480 8.091 0.389 18840 7030 1 20 . 1 1 553 553 HIS N N 553 122.502 122.502 121.068 1.434 18840 7031 1 20 . 1 1 553 553 HIS HA H 553 4.459 4.459 4.403 0.056 18840 7032 1 20 . 1 1 553 553 HIS C C 553 174.820 174.820 174.410 0.410 18840 7033 1 20 . 1 1 553 553 HIS CA C 553 55.553 55.553 56.229 -0.676 18840 7034 1 20 . 1 1 553 553 HIS CB C 553 31.320 31.320 30.243 1.077 18840 7035 1 20 . 1 1 553 553 HIS H H 553 6.954 6.954 7.318 -0.364 18840 7036 1 20 . 1 1 554 554 SER N N 554 117.586 117.586 117.255 0.331 18840 7037 1 20 . 1 1 554 554 SER HA H 554 5.128 5.128 4.919 0.209 18840 7038 1 20 . 1 1 554 554 SER CA C 554 55.199 55.199 55.248 -0.049 18840 7039 1 20 . 1 1 554 554 SER CB C 554 64.833 64.833 64.949 -0.116 18840 7040 1 20 . 1 1 554 554 SER H H 554 8.668 8.668 8.270 0.398 18840 7041 1 20 . 1 1 555 555 PRO HA H 555 4.296 4.296 4.752 -0.456 18840 7042 1 20 . 1 1 555 555 PRO C C 555 176.447 176.447 176.569 -0.122 18840 7043 1 20 . 1 1 555 555 PRO CA C 555 63.029 63.029 62.703 0.326 18840 7044 1 20 . 1 1 555 555 PRO CB C 555 31.779 31.779 32.232 -0.453 18840 7045 1 20 . 1 1 556 556 LEU N N 556 123.469 123.469 119.196 4.273 18840 7046 1 20 . 1 1 556 556 LEU HA H 556 4.788 4.788 4.365 0.423 18840 7047 1 20 . 1 1 556 556 LEU C C 556 176.176 176.176 176.376 -0.200 18840 7048 1 20 . 1 1 556 556 LEU CA C 556 54.247 54.247 56.059 -1.812 18840 7049 1 20 . 1 1 556 556 LEU CB C 556 44.237 44.237 42.699 1.538 18840 7050 1 20 . 1 1 556 556 LEU H H 556 8.802 8.802 7.937 0.865 18840 7051 1 20 . 1 1 557 557 MET N N 557 122.362 122.362 119.746 2.616 18840 7052 1 20 . 1 1 557 557 MET HA H 557 4.983 4.983 4.680 0.303 18840 7053 1 20 . 1 1 557 557 MET C C 557 175.983 175.983 175.320 0.663 18840 7054 1 20 . 1 1 557 557 MET CA C 557 54.641 54.641 54.171 0.470 18840 7055 1 20 . 1 1 557 557 MET CB C 557 34.181 34.181 35.478 -1.297 18840 7056 1 20 . 1 1 557 557 MET H H 557 8.624 8.624 8.173 0.451 18840 7057 1 20 . 1 1 558 558 ARG N N 558 123.450 123.450 121.371 2.079 18840 7058 1 20 . 1 1 558 558 ARG HA H 558 4.302 4.302 4.531 -0.229 18840 7059 1 20 . 1 1 558 558 ARG CA C 558 56.545 56.545 54.782 1.763 18840 7060 1 20 . 1 1 558 558 ARG CB C 558 31.139 31.139 30.138 1.001 18840 7061 1 20 . 1 1 558 558 ARG H H 558 8.901 8.901 8.274 0.627 18840 7062 1 20 . 1 1 559 559 ASN HA H 559 4.642 4.642 4.640 0.002 18840 7063 1 20 . 1 1 559 559 ASN CA C 559 53.286 53.286 53.546 -0.260 18840 7064 1 20 . 1 1 559 559 ASN CB C 559 38.877 38.877 39.347 -0.470 18840 7065 1 20 . 1 1 560 560 GLN N N 560 121.173 121.173 120.932 0.241 18840 7066 1 20 . 1 1 560 560 GLN HA H 560 4.308 4.308 3.951 0.357 18840 7067 1 20 . 1 1 560 560 GLN C C 560 175.883 175.883 174.592 1.291 18840 7068 1 20 . 1 1 560 560 GLN CA C 560 56.023 56.023 56.805 -0.782 18840 7069 1 20 . 1 1 560 560 GLN CB C 560 29.702 29.702 28.172 1.530 18840 7070 1 20 . 1 1 560 560 GLN H H 560 8.284 8.284 8.654 -0.370 18840 7071 1 20 . 1 1 561 561 LYS N N 561 122.223 122.223 120.564 1.659 18840 7072 1 20 . 1 1 561 561 LYS HA H 561 4.267 4.267 4.514 -0.247 18840 7073 1 20 . 1 1 561 561 LYS C C 561 176.349 176.349 175.652 0.697 18840 7074 1 20 . 1 1 561 561 LYS CA C 561 56.659 56.659 55.295 1.364 18840 7075 1 20 . 1 1 561 561 LYS CB C 561 32.966 32.966 33.607 -0.641 18840 7076 1 20 . 1 1 561 561 LYS H H 561 8.350 8.350 8.416 -0.066 18840 7077 1 20 . 1 1 562 562 ASN N N 562 119.683 119.683 120.002 -0.319 18840 7078 1 20 . 1 1 562 562 ASN HA H 562 4.681 4.681 4.685 -0.004 18840 7079 1 20 . 1 1 562 562 ASN C C 562 175.298 175.298 174.913 0.385 18840 7080 1 20 . 1 1 562 562 ASN CA C 562 53.375 53.375 53.420 -0.046 18840 7081 1 20 . 1 1 562 562 ASN CB C 562 38.920 38.920 38.822 0.098 18840 7082 1 20 . 1 1 562 562 ASN H H 562 8.440 8.440 8.447 -0.007 18840 7083 1 20 . 1 1 563 563 ARG N N 563 121.405 121.405 122.726 -1.321 18840 7084 1 20 . 1 1 563 563 ARG HA H 563 4.315 4.315 4.358 -0.043 18840 7085 1 20 . 1 1 563 563 ARG C C 563 176.088 176.088 175.834 0.254 18840 7086 1 20 . 1 1 563 563 ARG CA C 563 56.489 56.489 56.257 0.232 18840 7087 1 20 . 1 1 563 563 ARG CB C 563 30.775 30.775 30.970 -0.195 18840 7088 1 20 . 1 1 563 563 ARG H H 563 8.333 8.333 8.479 -0.146 18840 7089 1 20 . 1 1 564 564 ASP N N 564 121.203 121.203 122.466 -1.263 18840 7090 1 20 . 1 1 564 564 ASP HA H 564 4.667 4.667 4.557 0.110 18840 7091 1 20 . 1 1 564 564 ASP C C 564 176.148 176.148 176.312 -0.164 18840 7092 1 20 . 1 1 564 564 ASP CA C 564 54.597 54.597 55.658 -1.061 18840 7093 1 20 . 1 1 564 564 ASP CB C 564 41.249 41.249 41.248 0.000 18840 7094 1 20 . 1 1 564 564 ASP H H 564 8.387 8.387 8.796 -0.409 18840 7095 1 20 . 1 1 565 565 SER N N 565 116.058 116.058 114.344 1.714 18840 7096 1 20 . 1 1 565 565 SER HA H 565 4.528 4.528 4.749 -0.221 18840 7097 1 20 . 1 1 565 565 SER C C 565 173.755 173.755 173.938 -0.183 18840 7098 1 20 . 1 1 565 565 SER CA C 565 58.266 58.266 57.594 0.672 18840 7099 1 20 . 1 1 565 565 SER CB C 565 64.077 64.077 64.524 -0.447 18840 7100 1 20 . 1 1 565 565 SER H H 565 8.186 8.186 7.922 0.264 18840 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 57 3.002 -0.549 2.978 18840 2 1 1 "Average Difference" HA 65 0.398 0.002 0.401 18840 3 1 1 "Average Difference" C 56 0.985 -0.151 0.982 18840 4 1 1 "Average Difference" CA 63 1.150 -0.211 1.139 18840 5 1 1 "Average Difference" CB 61 1.615 -0.587 1.517 18840 6 1 1 "Average Difference" HN 57 0.502 -0.083 0.499 18840 7 1 2 "Average Difference" N 57 2.948 -0.471 2.936 18840 8 1 2 "Average Difference" HA 65 0.427 0.053 0.427 18840 9 1 2 "Average Difference" C 56 1.007 -0.165 1.002 18840 10 1 2 "Average Difference" CA 63 1.185 -0.341 1.144 18840 11 1 2 "Average Difference" CB 61 1.595 -0.446 1.544 18840 12 1 2 "Average Difference" HN 57 0.566 -0.051 0.569 18840 13 1 3 "Average Difference" N 57 2.880 -0.396 2.878 18840 14 1 3 "Average Difference" HA 65 0.418 0.034 0.420 18840 15 1 3 "Average Difference" C 56 1.112 -0.007 1.122 18840 16 1 3 "Average Difference" CA 63 1.085 -0.422 1.008 18840 17 1 3 "Average Difference" CB 61 1.687 -0.551 1.608 18840 18 1 3 "Average Difference" HN 57 0.575 -0.075 0.575 18840 19 1 4 "Average Difference" N 57 3.423 -1.094 3.273 18840 20 1 4 "Average Difference" HA 65 0.402 0.054 0.402 18840 21 1 4 "Average Difference" C 56 1.076 -0.171 1.072 18840 22 1 4 "Average Difference" CA 63 1.120 -0.333 1.078 18840 23 1 4 "Average Difference" CB 61 1.555 -0.365 1.524 18840 24 1 4 "Average Difference" HN 57 0.615 -0.124 0.607 18840 25 1 5 "Average Difference" N 57 2.687 -0.214 2.702 18840 26 1 5 "Average Difference" HA 65 0.387 0.033 0.388 18840 27 1 5 "Average Difference" C 56 0.998 -0.130 0.999 18840 28 1 5 "Average Difference" CA 63 1.122 -0.265 1.099 18840 29 1 5 "Average Difference" CB 61 1.601 -0.489 1.538 18840 30 1 5 "Average Difference" HN 57 0.546 -0.067 0.547 18840 31 1 6 "Average Difference" N 57 2.664 0.080 2.686 18840 32 1 6 "Average Difference" HA 65 0.378 0.031 0.380 18840 33 1 6 "Average Difference" C 56 1.032 -0.127 1.034 18840 34 1 6 "Average Difference" CA 63 1.001 -0.329 0.953 18840 35 1 6 "Average Difference" CB 61 1.455 -0.426 1.403 18840 36 1 6 "Average Difference" HN 57 0.537 -0.082 0.536 18840 37 1 7 "Average Difference" N 57 2.706 -0.384 2.702 18840 38 1 7 "Average Difference" HA 65 0.401 0.025 0.403 18840 39 1 7 "Average Difference" C 56 1.002 -0.161 0.998 18840 40 1 7 "Average Difference" CA 63 1.154 -0.329 1.115 18840 41 1 7 "Average Difference" CB 61 1.566 -0.380 1.531 18840 42 1 7 "Average Difference" HN 57 0.587 -0.089 0.586 18840 43 1 8 "Average Difference" N 57 2.988 -0.647 2.944 18840 44 1 8 "Average Difference" HA 65 0.406 0.049 0.406 18840 45 1 8 "Average Difference" C 56 1.099 -0.159 1.098 18840 46 1 8 "Average Difference" CA 63 1.109 -0.327 1.068 18840 47 1 8 "Average Difference" CB 61 1.716 -0.418 1.678 18840 48 1 8 "Average Difference" HN 57 0.596 -0.101 0.593 18840 49 1 9 "Average Difference" N 57 2.822 -0.399 2.818 18840 50 1 9 "Average Difference" HA 65 0.412 0.048 0.412 18840 51 1 9 "Average Difference" C 56 1.099 -0.250 1.080 18840 52 1 9 "Average Difference" CA 63 1.126 -0.407 1.059 18840 53 1 9 "Average Difference" CB 61 1.505 -0.474 1.441 18840 54 1 9 "Average Difference" HN 57 0.539 -0.029 0.543 18840 55 1 10 "Average Difference" N 57 2.911 -0.397 2.909 18840 56 1 10 "Average Difference" HA 65 0.427 0.032 0.429 18840 57 1 10 "Average Difference" C 56 1.038 -0.132 1.039 18840 58 1 10 "Average Difference" CA 63 1.181 -0.273 1.158 18840 59 1 10 "Average Difference" CB 61 1.592 -0.420 1.548 18840 60 1 10 "Average Difference" HN 57 0.523 -0.130 0.511 18840 61 1 11 "Average Difference" N 57 2.773 -0.386 2.771 18840 62 1 11 "Average Difference" HA 65 0.405 0.016 0.408 18840 63 1 11 "Average Difference" C 56 0.930 -0.043 0.938 18840 64 1 11 "Average Difference" CA 63 1.093 -0.289 1.063 18840 65 1 11 "Average Difference" CB 61 1.553 -0.494 1.484 18840 66 1 11 "Average Difference" HN 57 0.468 -0.092 0.462 18840 67 1 12 "Average Difference" N 57 2.912 -0.303 2.922 18840 68 1 12 "Average Difference" HA 65 0.420 0.027 0.422 18840 69 1 12 "Average Difference" C 56 1.053 -0.118 1.056 18840 70 1 12 "Average Difference" CA 63 1.214 -0.290 1.188 18840 71 1 12 "Average Difference" CB 61 1.591 -0.561 1.501 18840 72 1 12 "Average Difference" HN 57 0.566 -0.131 0.555 18840 73 1 13 "Average Difference" N 57 2.960 -0.600 2.924 18840 74 1 13 "Average Difference" HA 65 0.409 0.036 0.411 18840 75 1 13 "Average Difference" C 56 1.020 -0.088 1.025 18840 76 1 13 "Average Difference" CA 63 1.087 -0.277 1.060 18840 77 1 13 "Average Difference" CB 61 1.533 -0.457 1.476 18840 78 1 13 "Average Difference" HN 57 0.576 -0.110 0.571 18840 79 1 14 "Average Difference" N 57 2.975 -0.295 2.987 18840 80 1 14 "Average Difference" HA 65 0.401 0.019 0.404 18840 81 1 14 "Average Difference" C 56 1.053 -0.073 1.060 18840 82 1 14 "Average Difference" CA 63 1.116 -0.295 1.085 18840 83 1 14 "Average Difference" CB 61 1.579 -0.634 1.459 18840 84 1 14 "Average Difference" HN 57 0.597 -0.120 0.590 18840 85 1 15 "Average Difference" N 57 2.669 -0.155 2.688 18840 86 1 15 "Average Difference" HA 65 0.409 0.020 0.412 18840 87 1 15 "Average Difference" C 56 0.939 -0.203 0.925 18840 88 1 15 "Average Difference" CA 63 1.122 -0.234 1.106 18840 89 1 15 "Average Difference" CB 61 1.438 -0.440 1.381 18840 90 1 15 "Average Difference" HN 57 0.568 -0.123 0.559 18840 91 1 16 "Average Difference" N 57 3.028 -0.750 2.960 18840 92 1 16 "Average Difference" HA 65 0.398 0.028 0.401 18840 93 1 16 "Average Difference" C 56 0.958 -0.169 0.951 18840 94 1 16 "Average Difference" CA 63 1.046 -0.324 1.003 18840 95 1 16 "Average Difference" CB 61 1.711 -0.559 1.631 18840 96 1 16 "Average Difference" HN 57 0.582 -0.141 0.570 18840 97 1 17 "Average Difference" N 57 2.944 -0.422 2.939 18840 98 1 17 "Average Difference" HA 65 0.401 0.035 0.402 18840 99 1 17 "Average Difference" C 56 1.059 -0.086 1.065 18840 100 1 17 "Average Difference" CA 63 1.092 -0.332 1.048 18840 101 1 17 "Average Difference" CB 61 1.516 -0.485 1.448 18840 102 1 17 "Average Difference" HN 57 0.608 -0.081 0.608 18840 103 1 18 "Average Difference" N 57 2.913 -0.279 2.926 18840 104 1 18 "Average Difference" HA 65 0.394 0.033 0.395 18840 105 1 18 "Average Difference" C 56 0.987 -0.054 0.994 18840 106 1 18 "Average Difference" CA 63 1.202 -0.316 1.169 18840 107 1 18 "Average Difference" CB 61 1.562 -0.385 1.526 18840 108 1 18 "Average Difference" HN 57 0.554 -0.077 0.554 18840 109 1 19 "Average Difference" N 57 2.755 -0.296 2.764 18840 110 1 19 "Average Difference" HA 65 0.403 0.028 0.405 18840 111 1 19 "Average Difference" C 56 1.150 -0.203 1.142 18840 112 1 19 "Average Difference" CA 63 1.048 -0.334 1.002 18840 113 1 19 "Average Difference" CB 61 1.673 -0.524 1.602 18840 114 1 19 "Average Difference" HN 57 0.561 -0.085 0.559 18840 115 1 20 "Average Difference" N 57 2.830 -0.556 2.799 18840 116 1 20 "Average Difference" HA 65 0.389 0.005 0.392 18840 117 1 20 "Average Difference" C 56 0.943 -0.196 0.930 18840 118 1 20 "Average Difference" CA 63 1.048 -0.335 1.001 18840 119 1 20 "Average Difference" CB 61 1.637 -0.524 1.563 18840 120 1 20 "Average Difference" HN 57 0.535 -0.095 0.531 18840 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 18840 _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 1 503 503 PRO HA H 503 4.533 4.533 4.769 -0.236 18840 2 1 . 1 1 503 503 PRO C C 503 176.777 176.777 176.254 0.523 18840 3 1 . 1 1 503 503 PRO CA C 503 62.962 62.962 62.462 0.501 18840 4 1 . 1 1 503 503 PRO CB C 503 32.403 32.403 32.992 -0.589 18840 5 1 . 1 1 504 504 VAL N N 504 120.734 120.734 119.205 1.529 18840 6 1 . 1 1 504 504 VAL HA H 504 4.102 4.102 4.211 -0.108 18840 7 1 . 1 1 504 504 VAL C C 504 175.887 175.887 175.317 0.570 18840 8 1 . 1 1 504 504 VAL CA C 504 62.483 62.483 62.320 0.163 18840 9 1 . 1 1 504 504 VAL CB C 504 32.864 32.864 32.983 -0.119 18840 10 1 . 1 1 504 504 VAL H H 504 8.290 8.290 8.224 0.066 18840 11 1 . 1 1 505 505 GLN N N 505 125.069 125.069 124.550 0.519 18840 12 1 . 1 1 505 505 GLN HA H 505 4.430 4.430 4.593 -0.163 18840 13 1 . 1 1 505 505 GLN C C 505 175.207 175.207 175.019 0.188 18840 14 1 . 1 1 505 505 GLN CA C 505 55.476 55.476 55.524 -0.048 18840 15 1 . 1 1 505 505 GLN CB C 505 29.918 29.918 30.424 -0.506 18840 16 1 . 1 1 505 505 GLN H H 505 8.450 8.450 8.395 0.055 18840 17 1 . 1 1 506 506 ILE N N 506 123.121 123.121 119.634 3.487 18840 18 1 . 1 1 506 506 ILE HA H 506 4.303 4.303 4.349 -0.046 18840 19 1 . 1 1 506 506 ILE C C 506 175.607 175.607 174.767 0.840 18840 20 1 . 1 1 506 506 ILE CA C 506 60.346 60.346 60.963 -0.617 18840 21 1 . 1 1 506 506 ILE CB C 506 39.046 39.046 39.244 -0.198 18840 22 1 . 1 1 506 506 ILE H H 506 8.259 8.259 8.246 0.013 18840 23 1 . 1 1 507 507 ASP N N 507 126.258 126.258 124.216 2.042 18840 24 1 . 1 1 507 507 ASP HA H 507 4.909 4.909 4.840 0.069 18840 25 1 . 1 1 507 507 ASP CA C 507 51.929 51.929 52.232 -0.303 18840 26 1 . 1 1 507 507 ASP CB C 507 41.712 41.712 41.941 -0.229 18840 27 1 . 1 1 507 507 ASP H H 507 8.419 8.419 8.183 0.237 18840 28 1 . 1 1 508 508 PRO HA H 508 4.304 4.304 4.338 -0.034 18840 29 1 . 1 1 508 508 PRO C C 508 176.539 176.539 176.360 0.179 18840 30 1 . 1 1 508 508 PRO CA C 508 63.271 63.271 62.923 0.348 18840 31 1 . 1 1 508 508 PRO CB C 508 32.117 32.117 32.190 -0.073 18840 32 1 . 1 1 509 509 TYR N N 509 119.278 119.278 117.344 1.934 18840 33 1 . 1 1 509 509 TYR HA H 509 4.486 4.486 4.428 0.058 18840 34 1 . 1 1 509 509 TYR C C 509 175.814 175.814 175.467 0.347 18840 35 1 . 1 1 509 509 TYR CA C 509 57.945 57.945 58.295 -0.350 18840 36 1 . 1 1 509 509 TYR CB C 509 37.723 37.723 37.856 -0.133 18840 37 1 . 1 1 509 509 TYR H H 509 8.218 8.218 8.143 0.075 18840 38 1 . 1 1 510 510 LEU N N 510 122.827 122.827 118.521 4.306 18840 39 1 . 1 1 510 510 LEU HA H 510 4.254 4.254 4.339 -0.085 18840 40 1 . 1 1 510 510 LEU C C 510 176.689 176.689 176.762 -0.073 18840 41 1 . 1 1 510 510 LEU CA C 510 54.934 54.934 54.594 0.340 18840 42 1 . 1 1 510 510 LEU CB C 510 42.647 42.647 42.953 -0.306 18840 43 1 . 1 1 510 510 LEU H H 510 7.655 7.655 7.392 0.263 18840 44 1 . 1 1 511 511 GLU N N 511 120.110 120.110 120.738 -0.628 18840 45 1 . 1 1 511 511 GLU HA H 511 4.234 4.234 4.357 -0.123 18840 46 1 . 1 1 511 511 GLU CA C 511 55.912 55.912 56.728 -0.816 18840 47 1 . 1 1 511 511 GLU CB C 511 31.398 31.398 30.992 0.406 18840 48 1 . 1 1 511 511 GLU H H 511 8.223 8.223 8.514 -0.291 18840 49 1 . 1 1 512 512 ASP N N 512 120.430 120.430 120.608 -0.178 18840 50 1 . 1 1 512 512 ASP HA H 512 4.439 4.439 4.718 -0.279 18840 51 1 . 1 1 512 512 ASP C C 512 175.742 175.742 175.069 0.673 18840 52 1 . 1 1 512 512 ASP CA C 512 54.405 54.405 54.088 0.317 18840 53 1 . 1 1 512 512 ASP CB C 512 40.977 40.977 40.649 0.328 18840 54 1 . 1 1 512 512 ASP H H 512 8.258 8.258 8.325 -0.067 18840 55 1 . 1 1 513 513 SER N N 513 116.712 116.712 116.871 -0.159 18840 56 1 . 1 1 513 513 SER HA H 513 4.282 4.282 4.360 -0.078 18840 57 1 . 1 1 513 513 SER C C 513 174.628 174.628 173.860 0.768 18840 58 1 . 1 1 513 513 SER CA C 513 57.783 57.783 57.898 -0.115 18840 59 1 . 1 1 513 513 SER CB C 513 64.481 64.481 63.746 0.735 18840 60 1 . 1 1 513 513 SER H H 513 8.004 8.004 7.795 0.209 18840 61 1 . 1 1 514 514 LEU N N 514 124.291 124.291 124.996 -0.705 18840 62 1 . 1 1 514 514 LEU HA H 514 4.360 4.360 4.280 0.080 18840 63 1 . 1 1 514 514 LEU C C 514 176.422 176.422 176.117 0.305 18840 64 1 . 1 1 514 514 LEU CA C 514 54.896 54.896 54.838 0.058 18840 65 1 . 1 1 514 514 LEU CB C 514 43.711 43.711 42.992 0.719 18840 66 1 . 1 1 514 514 LEU H H 514 8.248 8.248 8.212 0.036 18840 67 1 . 1 1 515 515 CYS N N 515 121.802 121.802 125.559 -3.757 18840 68 1 . 1 1 515 515 CYS HA H 515 3.818 3.818 4.496 -0.678 18840 69 1 . 1 1 515 515 CYS C C 515 177.418 177.418 176.185 1.233 18840 70 1 . 1 1 515 515 CYS CA C 515 60.542 60.542 59.139 1.403 18840 71 1 . 1 1 515 515 CYS CB C 515 31.859 31.859 27.294 4.565 18840 72 1 . 1 1 515 515 CYS H H 515 8.418 8.418 8.382 0.036 18840 73 1 . 1 1 516 516 HIS N N 516 129.671 129.671 127.447 2.224 18840 74 1 . 1 1 516 516 HIS HA H 516 4.497 4.497 4.353 0.144 18840 75 1 . 1 1 516 516 HIS C C 516 175.845 175.845 175.721 0.124 18840 76 1 . 1 1 516 516 HIS CA C 516 58.672 58.672 58.598 0.074 18840 77 1 . 1 1 516 516 HIS CB C 516 31.910 31.910 29.707 2.203 18840 78 1 . 1 1 516 516 HIS H H 516 9.149 9.149 8.678 0.471 18840 79 1 . 1 1 517 517 ILE N N 517 121.766 121.766 118.309 3.457 18840 80 1 . 1 1 517 517 ILE HA H 517 4.170 4.170 3.838 0.332 18840 81 1 . 1 1 517 517 ILE C C 517 177.448 177.448 177.531 -0.083 18840 82 1 . 1 1 517 517 ILE CA C 517 61.900 61.900 62.636 -0.736 18840 83 1 . 1 1 517 517 ILE CB C 517 35.256 35.256 37.439 -2.183 18840 84 1 . 1 1 517 517 ILE H H 517 9.347 9.347 7.791 1.556 18840 85 1 . 1 1 518 518 CYS N N 518 118.774 118.774 115.680 3.094 18840 86 1 . 1 1 518 518 CYS HA H 518 4.772 4.772 4.452 0.320 18840 87 1 . 1 1 518 518 CYS C C 518 176.883 176.883 175.715 1.168 18840 88 1 . 1 1 518 518 CYS CA C 518 59.309 59.309 58.763 0.546 18840 89 1 . 1 1 518 518 CYS CB C 518 31.994 31.994 28.459 3.535 18840 90 1 . 1 1 518 518 CYS H H 518 8.564 8.564 8.206 0.358 18840 91 1 . 1 1 519 519 SER N N 519 116.362 116.362 115.551 0.811 18840 92 1 . 1 1 519 519 SER HA H 519 4.403 4.403 4.183 0.220 18840 93 1 . 1 1 519 519 SER C C 519 174.258 174.258 174.178 0.080 18840 94 1 . 1 1 519 519 SER CA C 519 60.236 60.236 59.680 0.556 18840 95 1 . 1 1 519 519 SER CB C 519 62.727 62.727 61.446 1.281 18840 96 1 . 1 1 519 519 SER H H 519 7.619 7.619 8.545 -0.926 18840 97 1 . 1 1 520 520 SER N N 520 113.506 113.506 113.957 -0.451 18840 98 1 . 1 1 520 520 SER HA H 520 4.832 4.832 4.486 0.346 18840 99 1 . 1 1 520 520 SER C C 520 172.953 172.953 173.667 -0.714 18840 100 1 . 1 1 520 520 SER CA C 520 58.849 58.849 58.991 -0.142 18840 101 1 . 1 1 520 520 SER CB C 520 65.701 65.701 64.348 1.353 18840 102 1 . 1 1 520 520 SER H H 520 8.328 8.328 8.029 0.299 18840 103 1 . 1 1 521 521 GLN N N 521 118.652 118.652 118.461 0.191 18840 104 1 . 1 1 521 521 GLN HA H 521 4.932 4.932 4.786 0.146 18840 105 1 . 1 1 521 521 GLN CA C 521 52.845 52.845 53.427 -0.582 18840 106 1 . 1 1 521 521 GLN CB C 521 30.606 30.606 29.759 0.847 18840 107 1 . 1 1 521 521 GLN H H 521 7.416 7.416 7.746 -0.330 18840 108 1 . 1 1 522 522 PRO HA H 522 4.415 4.415 4.771 -0.356 18840 109 1 . 1 1 522 522 PRO C C 522 175.086 175.086 176.940 -1.853 18840 110 1 . 1 1 522 522 PRO CA C 522 63.782 63.782 62.580 1.202 18840 111 1 . 1 1 522 522 PRO CB C 522 32.536 32.536 32.323 0.213 18840 112 1 . 1 1 523 523 GLY N N 523 110.217 110.217 109.705 0.512 18840 113 1 . 1 1 523 523 GLY CA C 523 46.095 46.095 42.884 3.211 18840 114 1 . 1 1 523 523 GLY H H 523 8.909 8.909 8.139 0.770 18840 115 1 . 1 1 524 524 PRO HA H 524 4.457 4.457 4.218 0.239 18840 116 1 . 1 1 524 524 PRO C C 524 176.040 176.040 176.066 -0.026 18840 117 1 . 1 1 524 524 PRO CA C 524 63.115 63.115 63.562 -0.447 18840 118 1 . 1 1 524 524 PRO CB C 524 32.830 32.830 32.069 0.761 18840 119 1 . 1 1 525 525 PHE N N 525 116.223 116.223 118.452 -2.229 18840 120 1 . 1 1 525 525 PHE HA H 525 5.039 5.039 4.768 0.271 18840 121 1 . 1 1 525 525 PHE C C 525 174.437 174.437 174.492 -0.055 18840 122 1 . 1 1 525 525 PHE CA C 525 56.080 56.080 56.789 -0.709 18840 123 1 . 1 1 525 525 PHE CB C 525 39.780 39.780 40.688 -0.908 18840 124 1 . 1 1 525 525 PHE H H 525 8.148 8.148 7.533 0.615 18840 125 1 . 1 1 526 526 PHE N N 526 125.861 125.861 124.013 1.848 18840 126 1 . 1 1 526 526 PHE HA H 526 5.102 5.102 5.474 -0.372 18840 127 1 . 1 1 526 526 PHE C C 526 175.221 175.221 174.056 1.165 18840 128 1 . 1 1 526 526 PHE CA C 526 56.865 56.865 56.260 0.605 18840 129 1 . 1 1 526 526 PHE CB C 526 41.661 41.661 42.243 -0.582 18840 130 1 . 1 1 526 526 PHE H H 526 9.522 9.522 8.680 0.842 18840 131 1 . 1 1 527 527 CYS N N 527 128.663 128.663 128.203 0.460 18840 132 1 . 1 1 527 527 CYS HA H 527 4.931 4.931 5.087 -0.156 18840 133 1 . 1 1 527 527 CYS C C 527 174.052 174.052 174.432 -0.380 18840 134 1 . 1 1 527 527 CYS CA C 527 58.267 58.267 56.581 1.686 18840 135 1 . 1 1 527 527 CYS CB C 527 31.075 31.075 29.450 1.625 18840 136 1 . 1 1 527 527 CYS H H 527 7.723 7.723 8.414 -0.691 18840 137 1 . 1 1 528 528 ARG N N 528 125.354 125.354 125.852 -0.498 18840 138 1 . 1 1 528 528 ARG HA H 528 4.148 4.148 4.528 -0.380 18840 139 1 . 1 1 528 528 ARG C C 528 175.406 175.406 176.153 -0.747 18840 140 1 . 1 1 528 528 ARG CA C 528 55.971 55.971 55.399 0.573 18840 141 1 . 1 1 528 528 ARG CB C 528 31.165 31.165 30.033 1.132 18840 142 1 . 1 1 528 528 ARG H H 528 8.866 8.866 8.683 0.183 18840 143 1 . 1 1 529 529 ASP N N 529 124.001 124.001 121.317 2.684 18840 144 1 . 1 1 529 529 ASP HA H 529 4.203 4.203 4.464 -0.261 18840 145 1 . 1 1 529 529 ASP C C 529 178.105 178.105 177.297 0.808 18840 146 1 . 1 1 529 529 ASP CA C 529 56.288 56.288 54.267 2.021 18840 147 1 . 1 1 529 529 ASP CB C 529 43.574 43.574 42.141 1.433 18840 148 1 . 1 1 529 529 ASP H H 529 8.198 8.198 7.416 0.782 18840 149 1 . 1 1 530 530 GLN N N 530 125.372 125.372 123.065 2.307 18840 150 1 . 1 1 530 530 GLN HA H 530 3.894 3.894 3.997 -0.103 18840 151 1 . 1 1 530 530 GLN C C 530 177.471 177.471 176.652 0.819 18840 152 1 . 1 1 530 530 GLN CA C 530 59.159 59.159 58.047 1.112 18840 153 1 . 1 1 530 530 GLN CB C 530 28.731 28.731 28.533 0.198 18840 154 1 . 1 1 530 530 GLN H H 530 8.746 8.746 8.611 0.135 18840 155 1 . 1 1 531 531 VAL N N 531 113.137 113.137 118.329 -5.192 18840 156 1 . 1 1 531 531 VAL HA H 531 4.282 4.282 3.837 0.445 18840 157 1 . 1 1 531 531 VAL C C 531 176.295 176.295 176.895 -0.600 18840 158 1 . 1 1 531 531 VAL CA C 531 63.324 63.324 65.294 -1.970 18840 159 1 . 1 1 531 531 VAL CB C 531 31.457 31.457 32.213 -0.756 18840 160 1 . 1 1 531 531 VAL H H 531 8.659 8.659 8.861 -0.202 18840 161 1 . 1 1 532 532 CYS N N 532 121.034 121.034 116.779 4.255 18840 162 1 . 1 1 532 532 CYS HA H 532 4.568 4.568 4.698 -0.130 18840 163 1 . 1 1 532 532 CYS C C 532 172.994 172.994 174.964 -1.970 18840 164 1 . 1 1 532 532 CYS CA C 532 60.437 60.437 60.111 0.326 18840 165 1 . 1 1 532 532 CYS CB C 532 31.856 31.856 28.754 3.102 18840 166 1 . 1 1 532 532 CYS H H 532 8.023 8.023 7.473 0.550 18840 167 1 . 1 1 533 533 PHE N N 533 129.389 129.389 119.993 9.396 18840 168 1 . 1 1 533 533 PHE HA H 533 4.197 4.197 4.165 0.032 18840 169 1 . 1 1 533 533 PHE C C 533 174.830 174.830 174.060 0.770 18840 170 1 . 1 1 533 533 PHE CA C 533 59.754 59.754 58.918 0.836 18840 171 1 . 1 1 533 533 PHE CB C 533 38.260 38.260 37.257 1.003 18840 172 1 . 1 1 533 533 PHE H H 533 7.928 7.928 8.227 -0.299 18840 173 1 . 1 1 534 534 LYS N N 534 113.676 113.676 116.733 -3.057 18840 174 1 . 1 1 534 534 LYS HA H 534 4.466 4.466 4.617 -0.151 18840 175 1 . 1 1 534 534 LYS C C 534 173.055 173.055 174.298 -1.243 18840 176 1 . 1 1 534 534 LYS CA C 534 54.068 54.068 54.241 -0.173 18840 177 1 . 1 1 534 534 LYS CB C 534 37.800 37.800 36.168 1.632 18840 178 1 . 1 1 534 534 LYS H H 534 6.430 6.430 7.464 -1.034 18840 179 1 . 1 1 535 535 TYR N N 535 117.686 117.686 117.953 -0.267 18840 180 1 . 1 1 535 535 TYR HA H 535 5.165 5.165 5.576 -0.411 18840 181 1 . 1 1 535 535 TYR C C 535 175.888 175.888 175.700 0.188 18840 182 1 . 1 1 535 535 TYR CA C 535 58.593 58.593 56.654 1.939 18840 183 1 . 1 1 535 535 TYR CB C 535 40.020 40.020 39.824 0.196 18840 184 1 . 1 1 535 535 TYR H H 535 7.145 7.145 8.544 -1.399 18840 185 1 . 1 1 536 536 PHE N N 536 117.497 117.497 117.427 0.070 18840 186 1 . 1 1 536 536 PHE HA H 536 6.399 6.399 5.138 1.261 18840 187 1 . 1 1 536 536 PHE C C 536 177.127 177.127 175.404 1.723 18840 188 1 . 1 1 536 536 PHE CA C 536 57.056 57.056 56.933 0.123 18840 189 1 . 1 1 536 536 PHE CB C 536 45.217 45.217 43.943 1.274 18840 190 1 . 1 1 536 536 PHE H H 536 9.608 9.608 9.095 0.513 18840 191 1 . 1 1 537 537 CYS N N 537 119.624 119.624 120.920 -1.296 18840 192 1 . 1 1 537 537 CYS HA H 537 5.499 5.499 4.911 0.588 18840 193 1 . 1 1 537 537 CYS C C 537 176.128 176.128 176.439 -0.311 18840 194 1 . 1 1 537 537 CYS CA C 537 58.097 58.097 58.837 -0.740 18840 195 1 . 1 1 537 537 CYS CB C 537 32.306 32.306 29.447 2.859 18840 196 1 . 1 1 537 537 CYS H H 537 9.777 9.777 9.071 0.706 18840 197 1 . 1 1 538 538 ARG N N 538 120.573 120.573 122.364 -1.791 18840 198 1 . 1 1 538 538 ARG HA H 538 3.791 3.791 4.094 -0.303 18840 199 1 . 1 1 538 538 ARG C C 538 178.403 178.403 178.172 0.231 18840 200 1 . 1 1 538 538 ARG CA C 538 60.937 60.937 60.693 0.244 18840 201 1 . 1 1 538 538 ARG CB C 538 30.392 30.392 30.066 0.326 18840 202 1 . 1 1 538 538 ARG H H 538 9.375 9.375 9.083 0.292 18840 203 1 . 1 1 539 539 SER N N 539 114.562 114.562 113.687 0.875 18840 204 1 . 1 1 539 539 SER HA H 539 4.491 4.491 4.395 0.096 18840 205 1 . 1 1 539 539 SER C C 539 178.610 178.610 176.348 2.262 18840 206 1 . 1 1 539 539 SER CA C 539 62.159 62.159 61.399 0.761 18840 207 1 . 1 1 539 539 SER CB C 539 62.934 62.934 62.991 -0.057 18840 208 1 . 1 1 539 539 SER H H 539 8.549 8.549 8.751 -0.202 18840 209 1 . 1 1 540 540 CYS N N 540 126.990 126.990 121.589 5.401 18840 210 1 . 1 1 540 540 CYS HA H 540 4.454 4.454 4.588 -0.134 18840 211 1 . 1 1 540 540 CYS C C 540 178.546 178.546 177.063 1.483 18840 212 1 . 1 1 540 540 CYS CA C 540 65.024 65.024 61.862 3.162 18840 213 1 . 1 1 540 540 CYS CB C 540 30.747 30.747 26.430 4.317 18840 214 1 . 1 1 540 540 CYS H H 540 9.534 9.534 8.360 1.174 18840 215 1 . 1 1 541 541 TRP N N 541 121.037 121.037 122.158 -1.121 18840 216 1 . 1 1 541 541 TRP HA H 541 3.319 3.319 4.196 -0.877 18840 217 1 . 1 1 541 541 TRP C C 541 179.671 179.671 177.986 1.685 18840 218 1 . 1 1 541 541 TRP CA C 541 62.783 62.783 61.052 1.731 18840 219 1 . 1 1 541 541 TRP CB C 541 27.747 27.747 29.005 -1.258 18840 220 1 . 1 1 541 541 TRP H H 541 9.632 9.632 9.041 0.591 18840 221 1 . 1 1 542 542 HIS N N 542 119.251 119.251 119.879 -0.628 18840 222 1 . 1 1 542 542 HIS HA H 542 4.330 4.330 4.317 0.013 18840 223 1 . 1 1 542 542 HIS C C 542 177.291 177.291 177.107 0.184 18840 224 1 . 1 1 542 542 HIS CA C 542 59.909 59.909 60.634 -0.725 18840 225 1 . 1 1 542 542 HIS CB C 542 30.594 30.594 29.946 0.648 18840 226 1 . 1 1 542 542 HIS H H 542 8.073 8.073 8.088 -0.015 18840 227 1 . 1 1 543 543 TRP N N 543 121.212 121.212 120.612 0.600 18840 228 1 . 1 1 543 543 TRP HA H 543 4.231 4.231 4.249 -0.018 18840 229 1 . 1 1 543 543 TRP C C 543 178.256 178.256 178.039 0.217 18840 230 1 . 1 1 543 543 TRP CA C 543 60.959 60.959 60.978 -0.019 18840 231 1 . 1 1 543 543 TRP CB C 543 28.593 28.593 29.665 -1.072 18840 232 1 . 1 1 543 543 TRP H H 543 8.200 8.200 8.307 -0.107 18840 233 1 . 1 1 544 544 ARG N N 544 118.044 118.044 118.919 -0.875 18840 234 1 . 1 1 544 544 ARG HA H 544 3.199 3.199 3.611 -0.412 18840 235 1 . 1 1 544 544 ARG C C 544 176.093 176.093 178.185 -2.092 18840 236 1 . 1 1 544 544 ARG CA C 544 57.149 57.149 58.002 -0.853 18840 237 1 . 1 1 544 544 ARG CB C 544 29.942 29.942 29.329 0.613 18840 238 1 . 1 1 544 544 ARG H H 544 8.194 8.194 8.115 0.079 18840 239 1 . 1 1 545 545 HIS N N 545 109.049 109.049 115.424 -6.375 18840 240 1 . 1 1 545 545 HIS HA H 545 3.781 3.781 4.237 -0.456 18840 241 1 . 1 1 545 545 HIS C C 545 173.247 173.247 175.695 -2.448 18840 242 1 . 1 1 545 545 HIS CA C 545 58.848 58.848 56.752 2.096 18840 243 1 . 1 1 545 545 HIS CB C 545 25.314 25.314 29.022 -3.708 18840 244 1 . 1 1 545 545 HIS H H 545 7.410 7.410 7.769 -0.359 18840 245 1 . 1 1 546 546 SER N N 546 112.353 112.353 115.005 -2.652 18840 246 1 . 1 1 546 546 SER HA H 546 4.336 4.336 4.043 0.293 18840 247 1 . 1 1 546 546 SER C C 546 174.714 174.714 174.367 0.347 18840 248 1 . 1 1 546 546 SER CA C 546 59.042 59.042 59.543 -0.501 18840 249 1 . 1 1 546 546 SER CB C 546 63.464 63.464 63.015 0.449 18840 250 1 . 1 1 546 546 SER H H 546 6.948 6.948 7.295 -0.348 18840 251 1 . 1 1 547 547 MET N N 547 121.366 121.366 121.089 0.277 18840 252 1 . 1 1 547 547 MET HA H 547 4.188 4.188 4.145 0.043 18840 253 1 . 1 1 547 547 MET C C 547 175.421 175.421 175.797 -0.376 18840 254 1 . 1 1 547 547 MET CA C 547 55.504 55.504 55.121 0.383 18840 255 1 . 1 1 547 547 MET CB C 547 33.318 33.318 32.612 0.706 18840 256 1 . 1 1 547 547 MET H H 547 6.821 6.821 7.098 -0.277 18840 257 1 . 1 1 548 548 GLU N N 548 122.898 122.898 124.195 -1.297 18840 258 1 . 1 1 548 548 GLU HA H 548 3.807 3.807 4.071 -0.264 18840 259 1 . 1 1 548 548 GLU C C 548 176.918 176.918 177.298 -0.380 18840 260 1 . 1 1 548 548 GLU CA C 548 58.746 58.746 58.076 0.670 18840 261 1 . 1 1 548 548 GLU CB C 548 29.505 29.505 29.770 -0.265 18840 262 1 . 1 1 548 548 GLU H H 548 8.515 8.515 8.497 0.018 18840 263 1 . 1 1 549 549 GLY N N 549 112.898 112.898 110.573 2.325 18840 264 1 . 1 1 549 549 GLY C C 549 174.645 174.645 174.768 -0.123 18840 265 1 . 1 1 549 549 GLY CA C 549 45.411 45.411 45.155 0.256 18840 266 1 . 1 1 549 549 GLY H H 549 8.950 8.950 8.764 0.186 18840 267 1 . 1 1 550 550 LEU N N 550 118.164 118.164 119.369 -1.205 18840 268 1 . 1 1 550 550 LEU HA H 550 3.928 3.928 4.347 -0.419 18840 269 1 . 1 1 550 550 LEU C C 550 177.030 177.030 177.425 -0.395 18840 270 1 . 1 1 550 550 LEU CA C 550 54.291 54.291 53.833 0.458 18840 271 1 . 1 1 550 550 LEU CB C 550 42.968 42.968 41.483 1.485 18840 272 1 . 1 1 550 550 LEU H H 550 7.702 7.702 7.355 0.347 18840 273 1 . 1 1 551 551 ARG N N 551 115.914 115.914 118.832 -2.918 18840 274 1 . 1 1 551 551 ARG HA H 551 4.405 4.405 4.090 0.315 18840 275 1 . 1 1 551 551 ARG C C 551 177.206 177.206 176.683 0.523 18840 276 1 . 1 1 551 551 ARG CA C 551 58.406 58.406 57.774 0.632 18840 277 1 . 1 1 551 551 ARG CB C 551 30.360 30.360 29.382 0.978 18840 278 1 . 1 1 551 551 ARG H H 551 7.299 7.299 8.287 -0.988 18840 279 1 . 1 1 552 552 HIS N N 552 113.766 113.766 114.419 -0.653 18840 280 1 . 1 1 552 552 HIS HA H 552 4.692 4.692 4.692 -0.000 18840 281 1 . 1 1 552 552 HIS C C 552 175.959 175.959 174.883 1.076 18840 282 1 . 1 1 552 552 HIS CA C 552 56.223 56.223 55.423 0.800 18840 283 1 . 1 1 552 552 HIS CB C 552 30.228 30.228 29.350 0.878 18840 284 1 . 1 1 552 552 HIS H H 552 8.480 8.480 8.129 0.351 18840 285 1 . 1 1 553 553 HIS N N 553 122.502 122.502 120.683 1.819 18840 286 1 . 1 1 553 553 HIS HA H 553 4.459 4.459 4.388 0.071 18840 287 1 . 1 1 553 553 HIS C C 553 174.820 174.820 174.518 0.302 18840 288 1 . 1 1 553 553 HIS CA C 553 55.553 55.553 56.261 -0.708 18840 289 1 . 1 1 553 553 HIS CB C 553 31.320 31.320 30.462 0.858 18840 290 1 . 1 1 553 553 HIS H H 553 6.954 6.954 7.333 -0.379 18840 291 1 . 1 1 554 554 SER N N 554 117.586 117.586 116.470 1.116 18840 292 1 . 1 1 554 554 SER HA H 554 5.128 5.128 4.890 0.238 18840 293 1 . 1 1 554 554 SER CA C 554 55.199 55.199 55.588 -0.389 18840 294 1 . 1 1 554 554 SER CB C 554 64.833 64.833 65.375 -0.542 18840 295 1 . 1 1 554 554 SER H H 554 8.668 8.668 8.385 0.283 18840 296 1 . 1 1 555 555 PRO HA H 555 4.296 4.296 4.635 -0.339 18840 297 1 . 1 1 555 555 PRO C C 555 176.447 176.447 176.579 -0.132 18840 298 1 . 1 1 555 555 PRO CA C 555 63.029 63.029 62.208 0.821 18840 299 1 . 1 1 555 555 PRO CB C 555 31.779 31.779 31.764 0.015 18840 300 1 . 1 1 556 556 LEU N N 556 123.469 123.469 123.248 0.221 18840 301 1 . 1 1 556 556 LEU HA H 556 4.788 4.788 4.533 0.255 18840 302 1 . 1 1 556 556 LEU C C 556 176.176 176.176 177.051 -0.875 18840 303 1 . 1 1 556 556 LEU CA C 556 54.247 54.247 54.758 -0.511 18840 304 1 . 1 1 556 556 LEU CB C 556 44.237 44.237 42.803 1.434 18840 305 1 . 1 1 556 556 LEU H H 556 8.802 8.802 8.341 0.461 18840 306 1 . 1 1 557 557 MET N N 557 122.362 122.362 120.074 2.288 18840 307 1 . 1 1 557 557 MET HA H 557 4.983 4.983 4.691 0.292 18840 308 1 . 1 1 557 557 MET C C 557 175.983 175.983 175.942 0.041 18840 309 1 . 1 1 557 557 MET CA C 557 54.641 54.641 54.551 0.090 18840 310 1 . 1 1 557 557 MET CB C 557 34.181 34.181 34.090 0.091 18840 311 1 . 1 1 557 557 MET H H 557 8.624 8.624 8.189 0.435 18840 312 1 . 1 1 558 558 ARG N N 558 123.450 123.450 123.724 -0.274 18840 313 1 . 1 1 558 558 ARG HA H 558 4.302 4.302 4.378 -0.076 18840 314 1 . 1 1 558 558 ARG CA C 558 56.545 56.545 56.055 0.490 18840 315 1 . 1 1 558 558 ARG CB C 558 31.139 31.139 30.790 0.349 18840 316 1 . 1 1 558 558 ARG H H 558 8.901 8.901 8.477 0.424 18840 317 1 . 1 1 559 559 ASN HA H 559 4.642 4.642 4.607 0.035 18840 318 1 . 1 1 559 559 ASN CA C 559 53.286 53.286 53.673 -0.387 18840 319 1 . 1 1 559 559 ASN CB C 559 38.877 38.877 39.301 -0.424 18840 320 1 . 1 1 560 560 GLN N N 560 121.173 121.173 120.658 0.515 18840 321 1 . 1 1 560 560 GLN HA H 560 4.308 4.308 4.361 -0.053 18840 322 1 . 1 1 560 560 GLN C C 560 175.883 175.883 175.137 0.746 18840 323 1 . 1 1 560 560 GLN CA C 560 56.023 56.023 55.748 0.275 18840 324 1 . 1 1 560 560 GLN CB C 560 29.702 29.702 29.691 0.011 18840 325 1 . 1 1 560 560 GLN H H 560 8.284 8.284 8.398 -0.114 18840 326 1 . 1 1 561 561 LYS N N 561 122.223 122.223 121.650 0.573 18840 327 1 . 1 1 561 561 LYS HA H 561 4.267 4.267 4.309 -0.042 18840 328 1 . 1 1 561 561 LYS C C 561 176.349 176.349 176.086 0.263 18840 329 1 . 1 1 561 561 LYS CA C 561 56.659 56.659 56.237 0.422 18840 330 1 . 1 1 561 561 LYS CB C 561 32.966 32.966 33.022 -0.056 18840 331 1 . 1 1 561 561 LYS H H 561 8.350 8.350 8.350 0.000 18840 332 1 . 1 1 562 562 ASN N N 562 119.683 119.683 119.376 0.307 18840 333 1 . 1 1 562 562 ASN HA H 562 4.681 4.681 4.722 -0.041 18840 334 1 . 1 1 562 562 ASN C C 562 175.298 175.298 175.045 0.253 18840 335 1 . 1 1 562 562 ASN CA C 562 53.375 53.375 53.298 0.077 18840 336 1 . 1 1 562 562 ASN CB C 562 38.920 38.920 39.372 -0.452 18840 337 1 . 1 1 562 562 ASN H H 562 8.440 8.440 8.309 0.131 18840 338 1 . 1 1 563 563 ARG N N 563 121.405 121.405 121.566 -0.161 18840 339 1 . 1 1 563 563 ARG HA H 563 4.315 4.315 4.389 -0.074 18840 340 1 . 1 1 563 563 ARG C C 563 176.088 176.088 175.590 0.498 18840 341 1 . 1 1 563 563 ARG CA C 563 56.489 56.489 56.356 0.133 18840 342 1 . 1 1 563 563 ARG CB C 563 30.775 30.775 31.059 -0.284 18840 343 1 . 1 1 563 563 ARG H H 563 8.333 8.333 8.449 -0.116 18840 344 1 . 1 1 564 564 ASP N N 564 121.203 121.203 120.709 0.494 18840 345 1 . 1 1 564 564 ASP HA H 564 4.667 4.667 4.653 0.014 18840 346 1 . 1 1 564 564 ASP C C 564 176.148 176.148 175.923 0.225 18840 347 1 . 1 1 564 564 ASP CA C 564 54.597 54.597 54.644 -0.047 18840 348 1 . 1 1 564 564 ASP CB C 564 41.249 41.249 41.781 -0.532 18840 349 1 . 1 1 564 564 ASP H H 564 8.387 8.387 8.394 -0.007 18840 350 1 . 1 1 565 565 SER N N 565 116.058 116.058 115.364 0.694 18840 351 1 . 1 1 565 565 SER HA H 565 4.528 4.528 4.592 -0.064 18840 352 1 . 1 1 565 565 SER C C 565 173.755 173.755 174.162 -0.407 18840 353 1 . 1 1 565 565 SER CA C 565 58.266 58.266 58.091 0.175 18840 354 1 . 1 1 565 565 SER CB C 565 64.077 64.077 64.070 0.007 18840 355 1 . 1 1 565 565 SER H H 565 8.186 8.186 8.207 -0.020 18840 stop_ save_