data_19383 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19383 _Entry.PDB_ID 2MB1 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 19383 _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 1 508 508 GLN N N 508 120.721 120.721 120.786 -0.065 19383 2 1 1 . 1 1 508 508 GLN HA H 508 4.607 4.607 4.679 -0.072 19383 3 1 1 . 1 1 508 508 GLN CA C 508 53.627 53.627 54.340 -0.714 19383 4 1 1 . 1 1 508 508 GLN CB C 508 28.849 28.849 29.315 -0.466 19383 5 1 1 . 1 1 508 508 GLN H H 508 8.575 8.575 8.537 0.038 19383 6 1 1 . 1 1 509 509 PRO HA H 509 4.329 4.329 4.375 -0.046 19383 7 1 1 . 1 1 509 509 PRO C C 509 177.740 177.740 177.253 0.487 19383 8 1 1 . 1 1 509 509 PRO CA C 509 63.094 63.094 64.140 -1.046 19383 9 1 1 . 1 1 509 509 PRO CB C 509 32.083 32.083 32.521 -0.438 19383 10 1 1 . 1 1 510 510 LYS N N 510 121.228 121.228 113.633 7.595 19383 11 1 1 . 1 1 510 510 LYS HA H 510 4.233 4.233 4.295 -0.062 19383 12 1 1 . 1 1 510 510 LYS C C 510 177.951 177.951 175.593 2.358 19383 13 1 1 . 1 1 510 510 LYS CA C 510 55.910 55.910 56.489 -0.579 19383 14 1 1 . 1 1 510 510 LYS CB C 510 32.985 32.985 32.676 0.309 19383 15 1 1 . 1 1 510 510 LYS H H 510 8.330 8.330 8.407 -0.077 19383 16 1 1 . 1 1 511 511 CYS N N 511 119.374 119.374 119.875 -0.501 19383 17 1 1 . 1 1 511 511 CYS HA H 511 4.562 4.562 4.217 0.345 19383 18 1 1 . 1 1 511 511 CYS C C 511 180.885 180.885 174.057 6.828 19383 19 1 1 . 1 1 511 511 CYS CA C 511 55.085 55.085 59.837 -4.752 19383 20 1 1 . 1 1 511 511 CYS CB C 511 41.809 41.809 25.325 16.484 19383 21 1 1 . 1 1 511 511 CYS H H 511 8.284 8.284 8.400 -0.116 19383 22 1 1 . 1 1 512 512 ASN N N 512 122.292 122.292 119.561 2.731 19383 23 1 1 . 1 1 512 512 ASN HA H 512 4.898 4.898 5.006 -0.108 19383 24 1 1 . 1 1 512 512 ASN CA C 512 50.921 50.921 51.277 -0.356 19383 25 1 1 . 1 1 512 512 ASN CB C 512 39.105 39.105 40.111 -1.006 19383 26 1 1 . 1 1 512 512 ASN H H 512 8.614 8.614 8.348 0.266 19383 27 1 1 . 1 1 513 513 PRO HA H 513 4.294 4.294 4.780 -0.486 19383 28 1 1 . 1 1 513 513 PRO C C 513 177.920 177.920 176.041 1.879 19383 29 1 1 . 1 1 513 513 PRO CA C 513 63.373 63.373 62.744 0.629 19383 30 1 1 . 1 1 513 513 PRO CB C 513 31.880 31.880 31.735 0.144 19383 31 1 1 . 1 1 514 514 ASN N N 514 117.476 117.476 116.790 0.686 19383 32 1 1 . 1 1 514 514 ASN HA H 514 4.557 4.557 4.717 -0.160 19383 33 1 1 . 1 1 514 514 ASN C C 514 179.369 179.369 175.769 3.600 19383 34 1 1 . 1 1 514 514 ASN CA C 514 53.454 53.454 53.664 -0.210 19383 35 1 1 . 1 1 514 514 ASN CB C 514 38.954 38.954 39.294 -0.340 19383 36 1 1 . 1 1 514 514 ASN H H 514 8.285 8.285 8.042 0.243 19383 37 1 1 . 1 1 515 515 LEU N N 515 121.054 121.054 123.183 -2.129 19383 38 1 1 . 1 1 515 515 LEU HA H 515 4.154 4.154 4.631 -0.477 19383 39 1 1 . 1 1 515 515 LEU C C 515 177.719 177.719 176.577 1.142 19383 40 1 1 . 1 1 515 515 LEU CA C 515 55.268 55.268 54.392 0.876 19383 41 1 1 . 1 1 515 515 LEU CB C 515 42.079 42.079 40.443 1.636 19383 42 1 1 . 1 1 515 515 LEU H H 515 7.770 7.770 7.578 0.192 19383 43 1 1 . 1 1 516 516 HIS N N 516 117.461 117.461 121.854 -4.393 19383 44 1 1 . 1 1 516 516 HIS HA H 516 4.451 4.451 4.316 0.135 19383 45 1 1 . 1 1 516 516 HIS C C 516 179.871 179.871 175.547 4.324 19383 46 1 1 . 1 1 516 516 HIS CA C 516 55.414 55.414 58.352 -2.938 19383 47 1 1 . 1 1 516 516 HIS CB C 516 28.867 28.867 30.351 -1.484 19383 48 1 1 . 1 1 516 516 HIS H H 516 8.126 8.126 7.825 0.301 19383 49 1 1 . 1 1 517 517 TYR N N 517 120.302 120.302 118.721 1.581 19383 50 1 1 . 1 1 517 517 TYR HA H 517 4.222 4.222 4.304 -0.082 19383 51 1 1 . 1 1 517 517 TYR C C 517 178.883 178.883 176.729 2.154 19383 52 1 1 . 1 1 517 517 TYR CA C 517 59.410 59.410 60.160 -0.750 19383 53 1 1 . 1 1 517 517 TYR CB C 517 38.843 38.843 37.300 1.543 19383 54 1 1 . 1 1 517 517 TYR H H 517 8.101 8.101 7.908 0.193 19383 55 1 1 . 1 1 518 518 TRP N N 518 118.660 118.660 117.642 1.018 19383 56 1 1 . 1 1 518 518 TRP HA H 518 4.569 4.569 4.706 -0.137 19383 57 1 1 . 1 1 518 518 TRP C C 518 178.468 178.468 177.786 0.682 19383 58 1 1 . 1 1 518 518 TRP CA C 518 57.501 57.501 58.479 -0.978 19383 59 1 1 . 1 1 518 518 TRP CB C 518 29.619 29.619 29.872 -0.253 19383 60 1 1 . 1 1 518 518 TRP H H 518 7.665 7.665 8.191 -0.526 19383 61 1 1 . 1 1 519 519 THR N N 519 112.373 112.373 109.572 2.801 19383 62 1 1 . 1 1 519 519 THR HA H 519 4.351 4.351 3.830 0.521 19383 63 1 1 . 1 1 519 519 THR C C 519 179.594 179.594 175.490 4.104 19383 64 1 1 . 1 1 519 519 THR CA C 519 61.654 61.654 64.602 -2.948 19383 65 1 1 . 1 1 519 519 THR CB C 519 69.859 69.859 67.565 2.294 19383 66 1 1 . 1 1 519 519 THR H H 519 7.894 7.894 8.222 -0.328 19383 67 1 1 . 1 1 520 520 THR N N 520 114.438 114.438 116.362 -1.924 19383 68 1 1 . 1 1 520 520 THR HA H 520 4.256 4.256 4.405 -0.149 19383 69 1 1 . 1 1 520 520 THR C C 520 179.419 179.419 175.857 3.562 19383 70 1 1 . 1 1 520 520 THR CA C 520 62.019 62.019 64.473 -2.454 19383 71 1 1 . 1 1 520 520 THR CB C 520 69.709 69.709 69.025 0.684 19383 72 1 1 . 1 1 520 520 THR H H 520 7.957 7.957 8.634 -0.677 19383 73 1 1 . 1 1 521 521 GLN N N 521 121.453 121.453 122.059 -0.606 19383 74 1 1 . 1 1 521 521 GLN HA H 521 4.175 4.175 4.247 -0.072 19383 75 1 1 . 1 1 521 521 GLN C C 521 178.345 178.345 176.790 1.555 19383 76 1 1 . 1 1 521 521 GLN CA C 521 56.302 56.302 58.223 -1.921 19383 77 1 1 . 1 1 521 521 GLN CB C 521 29.118 29.118 28.747 0.371 19383 78 1 1 . 1 1 521 521 GLN H H 521 8.224 8.224 8.352 -0.128 19383 79 1 1 . 1 1 522 522 ASP N N 522 120.227 120.227 117.295 2.932 19383 80 1 1 . 1 1 522 522 ASP HA H 522 4.461 4.461 4.721 -0.260 19383 81 1 1 . 1 1 522 522 ASP C C 522 177.838 177.838 177.236 0.602 19383 82 1 1 . 1 1 522 522 ASP CA C 522 54.741 54.741 54.603 0.138 19383 83 1 1 . 1 1 522 522 ASP CB C 522 40.847 40.847 40.828 0.019 19383 84 1 1 . 1 1 522 522 ASP H H 522 8.155 8.155 7.837 0.318 19383 85 1 1 . 1 1 523 523 GLU N N 523 120.511 120.511 119.975 0.536 19383 86 1 1 . 1 1 523 523 GLU HA H 523 4.102 4.102 4.268 -0.166 19383 87 1 1 . 1 1 523 523 GLU C C 523 177.165 177.165 177.131 0.034 19383 88 1 1 . 1 1 523 523 GLU CA C 523 57.161 57.161 58.377 -1.216 19383 89 1 1 . 1 1 523 523 GLU CB C 523 29.153 29.153 29.395 -0.242 19383 90 1 1 . 1 1 523 523 GLU H H 523 8.250 8.250 7.933 0.317 19383 91 1 1 . 1 1 524 524 GLY N N 524 108.395 108.395 105.730 2.665 19383 92 1 1 . 1 1 524 524 GLY C C 524 179.999 179.999 173.588 6.411 19383 93 1 1 . 1 1 524 524 GLY CA C 524 45.791 45.791 44.752 1.038 19383 94 1 1 . 1 1 524 524 GLY H H 524 8.308 8.308 7.768 0.540 19383 95 1 1 . 1 1 525 525 ALA N N 525 123.026 123.026 123.440 -0.414 19383 96 1 1 . 1 1 525 525 ALA HA H 525 4.139 4.139 4.659 -0.520 19383 97 1 1 . 1 1 525 525 ALA C C 525 176.642 176.642 177.448 -0.806 19383 98 1 1 . 1 1 525 525 ALA CA C 525 52.706 52.706 52.667 0.039 19383 99 1 1 . 1 1 525 525 ALA CB C 525 19.148 19.148 19.955 -0.807 19383 100 1 1 . 1 1 525 525 ALA H H 525 7.884 7.884 7.843 0.041 19383 101 1 1 . 1 1 526 526 ALA N N 526 121.593 121.593 121.113 0.480 19383 102 1 1 . 1 1 526 526 ALA HA H 526 4.164 4.164 4.807 -0.643 19383 103 1 1 . 1 1 526 526 ALA C C 526 176.320 176.320 177.362 -1.042 19383 104 1 1 . 1 1 526 526 ALA CA C 526 52.788 52.788 51.905 0.883 19383 105 1 1 . 1 1 526 526 ALA CB C 526 19.055 19.055 19.942 -0.887 19383 106 1 1 . 1 1 526 526 ALA H H 526 8.027 8.027 8.041 -0.014 19383 107 1 1 . 1 1 527 527 ILE N N 527 117.907 117.907 115.322 2.585 19383 108 1 1 . 1 1 527 527 ILE HA H 527 3.874 3.874 4.325 -0.451 19383 109 1 1 . 1 1 527 527 ILE C C 527 177.983 177.983 177.184 0.799 19383 110 1 1 . 1 1 527 527 ILE CA C 527 61.894 61.894 61.010 0.884 19383 111 1 1 . 1 1 527 527 ILE CB C 527 38.485 38.485 37.913 0.571 19383 112 1 1 . 1 1 527 527 ILE H H 527 7.913 7.913 7.822 0.091 19383 113 1 1 . 1 1 528 528 GLY N N 528 109.328 109.328 109.174 0.154 19383 114 1 1 . 1 1 528 528 GLY C C 528 180.040 180.040 175.345 4.695 19383 115 1 1 . 1 1 528 528 GLY CA C 528 45.877 45.877 47.090 -1.213 19383 116 1 1 . 1 1 528 528 GLY H H 528 8.045 8.045 8.640 -0.595 19383 117 1 1 . 1 1 529 529 LEU N N 529 119.297 119.297 116.665 2.632 19383 118 1 1 . 1 1 529 529 LEU HA H 529 4.076 4.076 4.533 -0.457 19383 119 1 1 . 1 1 529 529 LEU C C 529 177.413 177.413 177.408 0.005 19383 120 1 1 . 1 1 529 529 LEU CA C 529 55.759 55.759 56.631 -0.872 19383 121 1 1 . 1 1 529 529 LEU CB C 529 42.321 42.321 41.897 0.424 19383 122 1 1 . 1 1 529 529 LEU H H 529 8.083 8.083 7.751 0.332 19383 123 1 1 . 1 1 530 530 ALA N N 530 120.355 120.355 119.946 0.409 19383 124 1 1 . 1 1 530 530 ALA HA H 530 4.035 4.035 4.487 -0.452 19383 125 1 1 . 1 1 530 530 ALA C C 530 177.142 177.142 178.383 -1.241 19383 126 1 1 . 1 1 530 530 ALA CA C 530 53.814 53.814 51.592 2.222 19383 127 1 1 . 1 1 530 530 ALA CB C 530 18.780 18.780 18.761 0.019 19383 128 1 1 . 1 1 530 530 ALA H H 530 8.015 8.015 7.698 0.317 19383 129 1 1 . 1 1 531 531 TRP N N 531 114.575 114.575 123.680 -9.105 19383 130 1 1 . 1 1 531 531 TRP HA H 531 4.589 4.589 4.606 -0.017 19383 131 1 1 . 1 1 531 531 TRP C C 531 177.968 177.968 174.867 3.101 19383 132 1 1 . 1 1 531 531 TRP CA C 531 56.378 56.378 58.232 -1.854 19383 133 1 1 . 1 1 531 531 TRP CB C 531 29.409 29.409 28.912 0.497 19383 134 1 1 . 1 1 531 531 TRP H H 531 7.398 7.398 8.500 -1.102 19383 135 1 1 . 1 1 532 532 ILE N N 532 121.501 121.501 113.157 8.344 19383 136 1 1 . 1 1 532 532 ILE HA H 532 3.768 3.768 4.414 -0.646 19383 137 1 1 . 1 1 532 532 ILE CA C 532 63.813 63.813 57.597 6.216 19383 138 1 1 . 1 1 532 532 ILE H H 532 7.197 7.197 7.541 -0.344 19383 139 1 1 . 1 1 533 533 PRO HA H 533 4.169 4.169 4.399 -0.230 19383 140 1 1 . 1 1 533 533 PRO CA C 533 64.431 64.431 63.785 0.646 19383 141 1 1 . 1 1 533 533 PRO CB C 533 32.238 32.238 31.500 0.738 19383 142 1 1 . 1 1 534 534 TYR HA H 534 4.086 4.086 4.309 -0.223 19383 143 1 1 . 1 1 534 534 TYR CA C 534 60.819 60.819 60.050 0.769 19383 144 1 1 . 1 1 534 534 TYR CB C 534 38.437 38.437 39.227 -0.790 19383 145 1 1 . 1 1 534 534 TYR H H 534 8.066 8.066 8.764 -0.698 19383 146 1 1 . 1 1 535 535 PHE HA H 535 4.316 4.316 4.573 -0.257 19383 147 1 1 . 1 1 535 535 PHE C C 535 175.669 175.669 176.591 -0.922 19383 148 1 1 . 1 1 535 535 PHE CA C 535 58.885 58.885 58.318 0.567 19383 149 1 1 . 1 1 535 535 PHE CB C 535 40.304 40.304 39.725 0.579 19383 150 1 1 . 1 1 535 535 PHE H H 535 8.123 8.123 8.357 -0.234 19383 151 1 1 . 1 1 536 536 GLY N N 536 107.103 107.103 109.278 -2.175 19383 152 1 1 . 1 1 536 536 GLY CA C 536 46.510 46.510 43.703 2.807 19383 153 1 1 . 1 1 536 536 GLY H H 536 8.031 8.031 7.985 0.046 19383 154 1 1 . 1 1 537 537 PRO HA H 537 4.210 4.210 4.282 -0.072 19383 155 1 1 . 1 1 537 537 PRO C C 537 175.183 175.183 176.841 -1.658 19383 156 1 1 . 1 1 537 537 PRO CA C 537 64.563 64.563 62.507 2.057 19383 157 1 1 . 1 1 537 537 PRO CB C 537 31.618 31.618 32.414 -0.796 19383 158 1 1 . 1 1 538 538 ALA N N 538 120.228 120.228 121.677 -1.449 19383 159 1 1 . 1 1 538 538 ALA HA H 538 4.095 4.095 3.931 0.164 19383 160 1 1 . 1 1 538 538 ALA C C 538 175.268 175.268 179.503 -4.235 19383 161 1 1 . 1 1 538 538 ALA CA C 538 54.373 54.373 54.838 -0.465 19383 162 1 1 . 1 1 538 538 ALA CB C 538 18.694 18.694 18.265 0.429 19383 163 1 1 . 1 1 538 538 ALA H H 538 7.799 7.799 8.172 -0.373 19383 164 1 1 . 1 1 539 539 ALA N N 539 120.412 120.412 118.222 2.190 19383 165 1 1 . 1 1 539 539 ALA HA H 539 3.883 3.883 4.109 -0.226 19383 166 1 1 . 1 1 539 539 ALA C C 539 175.516 175.516 179.607 -4.091 19383 167 1 1 . 1 1 539 539 ALA CA C 539 54.526 54.526 54.504 0.022 19383 168 1 1 . 1 1 539 539 ALA CB C 539 18.780 18.780 16.973 1.808 19383 169 1 1 . 1 1 539 539 ALA H H 539 8.208 8.208 8.369 -0.161 19383 170 1 1 . 1 1 540 540 GLU N N 540 116.209 116.209 120.082 -3.873 19383 171 1 1 . 1 1 540 540 GLU HA H 540 3.933 3.933 4.105 -0.172 19383 172 1 1 . 1 1 540 540 GLU C C 540 176.525 176.525 176.994 -0.469 19383 173 1 1 . 1 1 540 540 GLU CA C 540 58.522 58.522 58.990 -0.468 19383 174 1 1 . 1 1 540 540 GLU CB C 540 28.907 28.907 29.503 -0.596 19383 175 1 1 . 1 1 540 540 GLU H H 540 8.162 8.162 8.683 -0.521 19383 176 1 1 . 1 1 541 541 GLY N N 541 107.297 107.297 104.791 2.506 19383 177 1 1 . 1 1 541 541 GLY C C 541 178.784 178.784 175.198 3.586 19383 178 1 1 . 1 1 541 541 GLY CA C 541 45.692 45.692 45.212 0.480 19383 179 1 1 . 1 1 541 541 GLY H H 541 8.033 8.033 8.117 -0.084 19383 180 1 1 . 1 1 542 542 ILE N N 542 121.066 121.066 118.281 2.785 19383 181 1 1 . 1 1 542 542 ILE HA H 542 3.765 3.765 3.622 0.143 19383 182 1 1 . 1 1 542 542 ILE C C 542 176.804 176.804 176.013 0.791 19383 183 1 1 . 1 1 542 542 ILE CA C 542 63.871 63.871 62.318 1.553 19383 184 1 1 . 1 1 542 542 ILE CB C 542 38.075 38.075 37.384 0.691 19383 185 1 1 . 1 1 542 542 ILE H H 542 7.870 7.870 7.982 -0.112 19383 186 1 1 . 1 1 543 543 TYR N N 543 120.347 120.347 119.415 0.932 19383 187 1 1 . 1 1 543 543 TYR HA H 543 4.144 4.144 4.603 -0.459 19383 188 1 1 . 1 1 543 543 TYR C C 543 179.780 179.780 175.889 3.891 19383 189 1 1 . 1 1 543 543 TYR CA C 543 60.629 60.629 58.883 1.746 19383 190 1 1 . 1 1 543 543 TYR CB C 543 38.425 38.425 40.089 -1.664 19383 191 1 1 . 1 1 543 543 TYR H H 543 8.066 8.066 8.088 -0.022 19383 192 1 1 . 1 1 544 544 ALA N N 544 119.787 119.787 122.337 -2.550 19383 193 1 1 . 1 1 544 544 ALA HA H 544 3.926 3.926 4.393 -0.467 19383 194 1 1 . 1 1 544 544 ALA C C 544 175.014 175.014 177.524 -2.510 19383 195 1 1 . 1 1 544 544 ALA CA C 544 54.262 54.262 53.402 0.860 19383 196 1 1 . 1 1 544 544 ALA CB C 544 18.991 18.991 19.843 -0.852 19383 197 1 1 . 1 1 544 544 ALA H H 544 7.910 7.910 8.002 -0.092 19383 198 1 1 . 1 1 545 545 GLU N N 545 115.906 115.906 118.437 -2.531 19383 199 1 1 . 1 1 545 545 GLU HA H 545 4.056 4.056 4.467 -0.411 19383 200 1 1 . 1 1 545 545 GLU C C 545 176.541 176.541 178.130 -1.589 19383 201 1 1 . 1 1 545 545 GLU CA C 545 56.978 56.978 56.077 0.901 19383 202 1 1 . 1 1 545 545 GLU CB C 545 29.625 29.625 32.299 -2.674 19383 203 1 1 . 1 1 545 545 GLU H H 545 7.866 7.866 8.156 -0.290 19383 204 1 1 . 1 1 546 546 GLY N N 546 107.293 107.293 109.171 -1.878 19383 205 1 1 . 1 1 546 546 GLY C C 546 180.358 180.358 174.307 6.051 19383 206 1 1 . 1 1 546 546 GLY CA C 546 45.645 45.645 46.910 -1.265 19383 207 1 1 . 1 1 546 546 GLY H H 546 8.019 8.019 8.430 -0.411 19383 208 1 1 . 1 1 547 547 LEU N N 547 121.469 121.469 114.242 7.227 19383 209 1 1 . 1 1 547 547 LEU HA H 547 4.147 4.147 4.480 -0.333 19383 210 1 1 . 1 1 547 547 LEU C C 547 176.730 176.730 176.374 0.356 19383 211 1 1 . 1 1 547 547 LEU CA C 547 55.851 55.851 56.195 -0.344 19383 212 1 1 . 1 1 547 547 LEU CB C 547 42.514 42.514 41.891 0.623 19383 213 1 1 . 1 1 547 547 LEU H H 547 7.892 7.892 7.708 0.184 19383 214 1 1 . 1 1 548 548 MET N N 548 116.092 116.092 119.558 -3.466 19383 215 1 1 . 1 1 548 548 MET HA H 548 4.218 4.218 4.477 -0.259 19383 216 1 1 . 1 1 548 548 MET C C 548 177.832 177.832 177.109 0.723 19383 217 1 1 . 1 1 548 548 MET CA C 548 55.861 55.861 55.963 -0.102 19383 218 1 1 . 1 1 548 548 MET CB C 548 32.338 32.338 32.684 -0.345 19383 219 1 1 . 1 1 548 548 MET H H 548 7.995 7.995 8.226 -0.231 19383 220 1 1 . 1 1 549 549 HIS N N 549 116.959 116.959 116.525 0.434 19383 221 1 1 . 1 1 549 549 HIS HA H 549 4.577 4.577 4.810 -0.233 19383 222 1 1 . 1 1 549 549 HIS C C 549 179.852 179.852 175.273 4.579 19383 223 1 1 . 1 1 549 549 HIS CA C 549 55.656 55.656 57.937 -2.281 19383 224 1 1 . 1 1 549 549 HIS CB C 549 28.847 28.847 28.916 -0.070 19383 225 1 1 . 1 1 549 549 HIS H H 549 8.074 8.074 8.437 -0.363 19383 226 1 1 . 1 1 550 550 ASN N N 550 118.599 118.599 117.012 1.587 19383 227 1 1 . 1 1 550 550 ASN HA H 550 4.611 4.611 4.832 -0.221 19383 228 1 1 . 1 1 550 550 ASN C C 550 178.753 178.753 174.828 3.925 19383 229 1 1 . 1 1 550 550 ASN CA C 550 53.651 53.651 54.422 -0.770 19383 230 1 1 . 1 1 550 550 ASN CB C 550 38.884 38.884 39.723 -0.839 19383 231 1 1 . 1 1 550 550 ASN H H 550 8.235 8.235 7.625 0.610 19383 232 1 1 . 1 1 551 551 GLN N N 551 119.902 119.902 119.341 0.561 19383 233 1 1 . 1 1 551 551 GLN HA H 551 4.203 4.203 4.127 0.076 19383 234 1 1 . 1 1 551 551 GLN C C 551 178.390 178.390 175.706 2.684 19383 235 1 1 . 1 1 551 551 GLN CA C 551 56.276 56.276 56.259 0.017 19383 236 1 1 . 1 1 551 551 GLN CB C 551 28.931 28.931 26.713 2.218 19383 237 1 1 . 1 1 551 551 GLN H H 551 8.359 8.359 8.212 0.147 19383 238 1 1 . 1 1 552 552 ASP N N 552 119.524 119.524 118.059 1.465 19383 239 1 1 . 1 1 552 552 ASP HA H 552 4.448 4.448 4.759 -0.311 19383 240 1 1 . 1 1 552 552 ASP C C 552 177.522 177.522 177.209 0.313 19383 241 1 1 . 1 1 552 552 ASP CA C 552 54.856 54.856 52.654 2.202 19383 242 1 1 . 1 1 552 552 ASP CB C 552 40.814 40.814 40.552 0.262 19383 243 1 1 . 1 1 552 552 ASP H H 552 8.190 8.190 8.643 -0.453 19383 244 1 1 . 1 1 553 553 GLY N N 553 108.043 108.043 107.014 1.029 19383 245 1 1 . 1 1 553 553 GLY C C 553 179.757 179.757 175.245 4.512 19383 246 1 1 . 1 1 553 553 GLY CA C 553 45.626 45.626 45.389 0.236 19383 247 1 1 . 1 1 553 553 GLY H H 553 8.130 8.130 8.076 0.054 19383 248 1 1 . 1 1 554 554 LEU N N 554 121.485 121.485 121.438 0.047 19383 249 1 1 . 1 1 554 554 LEU HA H 554 4.168 4.168 4.056 0.112 19383 250 1 1 . 1 1 554 554 LEU C C 554 176.732 176.732 178.312 -1.580 19383 251 1 1 . 1 1 554 554 LEU CA C 554 56.145 56.145 57.739 -1.594 19383 252 1 1 . 1 1 554 554 LEU CB C 554 42.513 42.513 41.825 0.688 19383 253 1 1 . 1 1 554 554 LEU H H 554 8.081 8.081 7.484 0.597 19383 254 1 1 . 1 1 555 555 ILE N N 555 117.390 117.390 118.183 -0.793 19383 255 1 1 . 1 1 555 555 ILE HA H 555 3.954 3.954 4.085 -0.131 19383 256 1 1 . 1 1 555 555 ILE C C 555 178.242 178.242 176.045 2.197 19383 257 1 1 . 1 1 555 555 ILE CA C 555 61.929 61.929 58.665 3.264 19383 258 1 1 . 1 1 555 555 ILE CB C 555 38.317 38.317 34.627 3.691 19383 259 1 1 . 1 1 555 555 ILE H H 555 7.976 7.976 7.706 0.270 19383 260 1 1 . 1 1 556 556 CYS N N 556 119.495 119.495 122.383 -2.888 19383 261 1 1 . 1 1 556 556 CYS HA H 556 4.411 4.411 4.381 0.030 19383 262 1 1 . 1 1 556 556 CYS C C 556 178.872 178.872 176.700 2.172 19383 263 1 1 . 1 1 556 556 CYS CA C 556 56.233 56.233 60.809 -4.576 19383 264 1 1 . 1 1 556 556 CYS CB C 556 41.438 41.438 26.449 14.989 19383 265 1 1 . 1 1 556 556 CYS H H 556 8.214 8.214 8.226 -0.012 19383 266 1 1 . 1 1 557 557 GLY N N 557 108.419 108.419 108.098 0.321 19383 267 1 1 . 1 1 557 557 GLY C C 557 180.393 180.393 175.622 4.771 19383 268 1 1 . 1 1 557 557 GLY CA C 557 45.701 45.701 46.397 -0.695 19383 269 1 1 . 1 1 557 557 GLY H H 557 8.141 8.141 8.530 -0.389 19383 270 1 1 . 1 1 558 558 LEU N N 558 120.318 120.318 118.571 1.747 19383 271 1 1 . 1 1 558 558 LEU HA H 558 4.237 4.237 4.148 0.089 19383 272 1 1 . 1 1 558 558 LEU C C 558 177.398 177.398 177.434 -0.036 19383 273 1 1 . 1 1 558 558 LEU CA C 558 55.730 55.730 56.788 -1.058 19383 274 1 1 . 1 1 558 558 LEU CB C 558 42.585 42.585 41.545 1.040 19383 275 1 1 . 1 1 558 558 LEU H H 558 7.837 7.837 7.235 0.602 19383 276 1 1 . 1 1 559 559 ARG N N 559 119.828 119.828 116.852 2.976 19383 277 1 1 . 1 1 559 559 ARG HA H 559 4.245 4.245 3.931 0.314 19383 278 1 1 . 1 1 559 559 ARG C C 559 179.052 179.052 175.820 3.232 19383 279 1 1 . 1 1 559 559 ARG CA C 559 55.773 55.773 57.104 -1.331 19383 280 1 1 . 1 1 559 559 ARG CB C 559 31.191 31.191 29.567 1.624 19383 281 1 1 . 1 1 559 559 ARG H H 559 8.007 8.007 8.007 -0.000 19383 282 1 2 . 1 1 508 508 GLN N N 508 120.721 120.721 120.532 0.189 19383 283 1 2 . 1 1 508 508 GLN HA H 508 4.607 4.607 4.599 0.008 19383 284 1 2 . 1 1 508 508 GLN CA C 508 53.627 53.627 54.302 -0.675 19383 285 1 2 . 1 1 508 508 GLN CB C 508 28.849 28.849 29.592 -0.743 19383 286 1 2 . 1 1 508 508 GLN H H 508 8.575 8.575 8.364 0.210 19383 287 1 2 . 1 1 509 509 PRO HA H 509 4.329 4.329 4.467 -0.138 19383 288 1 2 . 1 1 509 509 PRO C C 509 177.740 177.740 176.832 0.908 19383 289 1 2 . 1 1 509 509 PRO CA C 509 63.094 63.094 63.464 -0.369 19383 290 1 2 . 1 1 509 509 PRO CB C 509 32.083 32.083 32.592 -0.509 19383 291 1 2 . 1 1 510 510 LYS N N 510 121.228 121.228 114.505 6.723 19383 292 1 2 . 1 1 510 510 LYS HA H 510 4.233 4.233 4.058 0.175 19383 293 1 2 . 1 1 510 510 LYS C C 510 177.951 177.951 175.633 2.318 19383 294 1 2 . 1 1 510 510 LYS CA C 510 55.910 55.910 57.392 -1.482 19383 295 1 2 . 1 1 510 510 LYS CB C 510 32.985 32.985 30.481 2.504 19383 296 1 2 . 1 1 510 510 LYS H H 510 8.330 8.330 7.706 0.624 19383 297 1 2 . 1 1 511 511 CYS N N 511 119.374 119.374 119.411 -0.037 19383 298 1 2 . 1 1 511 511 CYS HA H 511 4.562 4.562 4.261 0.301 19383 299 1 2 . 1 1 511 511 CYS C C 511 180.885 180.885 174.465 6.420 19383 300 1 2 . 1 1 511 511 CYS CA C 511 55.085 55.085 59.964 -4.879 19383 301 1 2 . 1 1 511 511 CYS CB C 511 41.809 41.809 25.678 16.131 19383 302 1 2 . 1 1 511 511 CYS H H 511 8.284 8.284 8.344 -0.060 19383 303 1 2 . 1 1 512 512 ASN N N 512 122.292 122.292 122.441 -0.149 19383 304 1 2 . 1 1 512 512 ASN HA H 512 4.898 4.898 4.962 -0.064 19383 305 1 2 . 1 1 512 512 ASN CA C 512 50.921 50.921 51.484 -0.563 19383 306 1 2 . 1 1 512 512 ASN CB C 512 39.105 39.105 40.868 -1.763 19383 307 1 2 . 1 1 512 512 ASN H H 512 8.614 8.614 8.447 0.167 19383 308 1 2 . 1 1 513 513 PRO HA H 513 4.294 4.294 4.821 -0.527 19383 309 1 2 . 1 1 513 513 PRO C C 513 177.920 177.920 176.416 1.504 19383 310 1 2 . 1 1 513 513 PRO CA C 513 63.373 63.373 63.349 0.024 19383 311 1 2 . 1 1 513 513 PRO CB C 513 31.880 31.880 31.311 0.569 19383 312 1 2 . 1 1 514 514 ASN N N 514 117.476 117.476 117.719 -0.243 19383 313 1 2 . 1 1 514 514 ASN HA H 514 4.557 4.557 4.724 -0.167 19383 314 1 2 . 1 1 514 514 ASN C C 514 179.369 179.369 175.740 3.629 19383 315 1 2 . 1 1 514 514 ASN CA C 514 53.454 53.454 53.798 -0.344 19383 316 1 2 . 1 1 514 514 ASN CB C 514 38.954 38.954 39.021 -0.067 19383 317 1 2 . 1 1 514 514 ASN H H 514 8.285 8.285 8.486 -0.201 19383 318 1 2 . 1 1 515 515 LEU N N 515 121.054 121.054 122.773 -1.719 19383 319 1 2 . 1 1 515 515 LEU HA H 515 4.154 4.154 4.598 -0.444 19383 320 1 2 . 1 1 515 515 LEU C C 515 177.719 177.719 176.037 1.682 19383 321 1 2 . 1 1 515 515 LEU CA C 515 55.268 55.268 54.035 1.233 19383 322 1 2 . 1 1 515 515 LEU CB C 515 42.079 42.079 40.214 1.865 19383 323 1 2 . 1 1 515 515 LEU H H 515 7.770 7.770 7.509 0.261 19383 324 1 2 . 1 1 516 516 HIS N N 516 117.461 117.461 121.143 -3.682 19383 325 1 2 . 1 1 516 516 HIS HA H 516 4.451 4.451 4.296 0.155 19383 326 1 2 . 1 1 516 516 HIS C C 516 179.871 179.871 175.440 4.431 19383 327 1 2 . 1 1 516 516 HIS CA C 516 55.414 55.414 57.914 -2.500 19383 328 1 2 . 1 1 516 516 HIS CB C 516 28.867 28.867 30.217 -1.350 19383 329 1 2 . 1 1 516 516 HIS H H 516 8.126 8.126 7.756 0.370 19383 330 1 2 . 1 1 517 517 TYR N N 517 120.302 120.302 118.194 2.108 19383 331 1 2 . 1 1 517 517 TYR HA H 517 4.222 4.222 4.346 -0.124 19383 332 1 2 . 1 1 517 517 TYR C C 517 178.883 178.883 176.291 2.592 19383 333 1 2 . 1 1 517 517 TYR CA C 517 59.410 59.410 59.837 -0.426 19383 334 1 2 . 1 1 517 517 TYR CB C 517 38.843 38.843 38.076 0.767 19383 335 1 2 . 1 1 517 517 TYR H H 517 8.101 8.101 8.031 0.070 19383 336 1 2 . 1 1 518 518 TRP N N 518 118.660 118.660 118.028 0.632 19383 337 1 2 . 1 1 518 518 TRP HA H 518 4.569 4.569 4.852 -0.283 19383 338 1 2 . 1 1 518 518 TRP C C 518 178.468 178.468 177.549 0.919 19383 339 1 2 . 1 1 518 518 TRP CA C 518 57.501 57.501 58.152 -0.651 19383 340 1 2 . 1 1 518 518 TRP CB C 518 29.619 29.619 30.721 -1.102 19383 341 1 2 . 1 1 518 518 TRP H H 518 7.665 7.665 8.116 -0.451 19383 342 1 2 . 1 1 519 519 THR N N 519 112.373 112.373 110.702 1.671 19383 343 1 2 . 1 1 519 519 THR HA H 519 4.351 4.351 3.708 0.643 19383 344 1 2 . 1 1 519 519 THR C C 519 179.594 179.594 175.389 4.205 19383 345 1 2 . 1 1 519 519 THR CA C 519 61.654 61.654 64.745 -3.091 19383 346 1 2 . 1 1 519 519 THR CB C 519 69.859 69.859 67.566 2.293 19383 347 1 2 . 1 1 519 519 THR H H 519 7.894 7.894 8.167 -0.273 19383 348 1 2 . 1 1 520 520 THR N N 520 114.438 114.438 116.028 -1.590 19383 349 1 2 . 1 1 520 520 THR HA H 520 4.256 4.256 4.332 -0.076 19383 350 1 2 . 1 1 520 520 THR C C 520 179.419 179.419 176.233 3.186 19383 351 1 2 . 1 1 520 520 THR CA C 520 62.019 62.019 63.956 -1.937 19383 352 1 2 . 1 1 520 520 THR CB C 520 69.709 69.709 69.000 0.709 19383 353 1 2 . 1 1 520 520 THR H H 520 7.957 7.957 8.667 -0.710 19383 354 1 2 . 1 1 521 521 GLN N N 521 121.453 121.453 120.944 0.509 19383 355 1 2 . 1 1 521 521 GLN HA H 521 4.175 4.175 4.164 0.011 19383 356 1 2 . 1 1 521 521 GLN C C 521 178.345 178.345 176.254 2.091 19383 357 1 2 . 1 1 521 521 GLN CA C 521 56.302 56.302 59.185 -2.883 19383 358 1 2 . 1 1 521 521 GLN CB C 521 29.118 29.118 28.822 0.296 19383 359 1 2 . 1 1 521 521 GLN H H 521 8.224 8.224 8.450 -0.226 19383 360 1 2 . 1 1 522 522 ASP N N 522 120.227 120.227 117.691 2.536 19383 361 1 2 . 1 1 522 522 ASP HA H 522 4.461 4.461 4.742 -0.281 19383 362 1 2 . 1 1 522 522 ASP C C 522 177.838 177.838 177.344 0.494 19383 363 1 2 . 1 1 522 522 ASP CA C 522 54.741 54.741 55.348 -0.607 19383 364 1 2 . 1 1 522 522 ASP CB C 522 40.847 40.847 41.538 -0.691 19383 365 1 2 . 1 1 522 522 ASP H H 522 8.155 8.155 7.702 0.453 19383 366 1 2 . 1 1 523 523 GLU N N 523 120.511 120.511 118.649 1.862 19383 367 1 2 . 1 1 523 523 GLU HA H 523 4.102 4.102 4.262 -0.160 19383 368 1 2 . 1 1 523 523 GLU C C 523 177.165 177.165 177.218 -0.053 19383 369 1 2 . 1 1 523 523 GLU CA C 523 57.161 57.161 58.245 -1.084 19383 370 1 2 . 1 1 523 523 GLU CB C 523 29.153 29.153 29.564 -0.411 19383 371 1 2 . 1 1 523 523 GLU H H 523 8.250 8.250 7.822 0.427 19383 372 1 2 . 1 1 524 524 GLY N N 524 108.395 108.395 105.390 3.005 19383 373 1 2 . 1 1 524 524 GLY C C 524 179.999 179.999 173.572 6.427 19383 374 1 2 . 1 1 524 524 GLY CA C 524 45.791 45.791 44.727 1.064 19383 375 1 2 . 1 1 524 524 GLY H H 524 8.308 8.308 7.764 0.544 19383 376 1 2 . 1 1 525 525 ALA N N 525 123.026 123.026 123.429 -0.403 19383 377 1 2 . 1 1 525 525 ALA HA H 525 4.139 4.139 4.654 -0.515 19383 378 1 2 . 1 1 525 525 ALA C C 525 176.642 176.642 177.411 -0.769 19383 379 1 2 . 1 1 525 525 ALA CA C 525 52.706 52.706 52.612 0.094 19383 380 1 2 . 1 1 525 525 ALA CB C 525 19.148 19.148 19.942 -0.794 19383 381 1 2 . 1 1 525 525 ALA H H 525 7.884 7.884 7.850 0.034 19383 382 1 2 . 1 1 526 526 ALA N N 526 121.593 121.593 121.896 -0.303 19383 383 1 2 . 1 1 526 526 ALA HA H 526 4.164 4.164 4.645 -0.481 19383 384 1 2 . 1 1 526 526 ALA C C 526 176.320 176.320 176.614 -0.294 19383 385 1 2 . 1 1 526 526 ALA CA C 526 52.788 52.788 52.137 0.651 19383 386 1 2 . 1 1 526 526 ALA CB C 526 19.055 19.055 19.867 -0.812 19383 387 1 2 . 1 1 526 526 ALA H H 526 8.027 8.027 7.857 0.170 19383 388 1 2 . 1 1 527 527 ILE N N 527 117.907 117.907 113.793 4.114 19383 389 1 2 . 1 1 527 527 ILE HA H 527 3.874 3.874 4.089 -0.215 19383 390 1 2 . 1 1 527 527 ILE C C 527 177.983 177.983 176.965 1.018 19383 391 1 2 . 1 1 527 527 ILE CA C 527 61.894 61.894 60.335 1.559 19383 392 1 2 . 1 1 527 527 ILE CB C 527 38.485 38.485 37.510 0.976 19383 393 1 2 . 1 1 527 527 ILE H H 527 7.913 7.913 7.640 0.273 19383 394 1 2 . 1 1 528 528 GLY N N 528 109.328 109.328 108.332 0.996 19383 395 1 2 . 1 1 528 528 GLY C C 528 180.040 180.040 174.720 5.320 19383 396 1 2 . 1 1 528 528 GLY CA C 528 45.877 45.877 46.039 -0.162 19383 397 1 2 . 1 1 528 528 GLY H H 528 8.045 8.045 8.271 -0.226 19383 398 1 2 . 1 1 529 529 LEU N N 529 119.297 119.297 114.072 5.225 19383 399 1 2 . 1 1 529 529 LEU HA H 529 4.076 4.076 4.613 -0.537 19383 400 1 2 . 1 1 529 529 LEU C C 529 177.413 177.413 177.217 0.196 19383 401 1 2 . 1 1 529 529 LEU CA C 529 55.759 55.759 56.046 -0.287 19383 402 1 2 . 1 1 529 529 LEU CB C 529 42.321 42.321 42.208 0.113 19383 403 1 2 . 1 1 529 529 LEU H H 529 8.083 8.083 7.170 0.913 19383 404 1 2 . 1 1 530 530 ALA N N 530 120.355 120.355 119.874 0.481 19383 405 1 2 . 1 1 530 530 ALA HA H 530 4.035 4.035 4.849 -0.814 19383 406 1 2 . 1 1 530 530 ALA C C 530 177.142 177.142 178.990 -1.848 19383 407 1 2 . 1 1 530 530 ALA CA C 530 53.814 53.814 52.202 1.612 19383 408 1 2 . 1 1 530 530 ALA CB C 530 18.780 18.780 19.761 -0.980 19383 409 1 2 . 1 1 530 530 ALA H H 530 8.015 8.015 7.468 0.547 19383 410 1 2 . 1 1 531 531 TRP N N 531 114.575 114.575 121.163 -6.588 19383 411 1 2 . 1 1 531 531 TRP HA H 531 4.589 4.589 4.893 -0.304 19383 412 1 2 . 1 1 531 531 TRP C C 531 177.968 177.968 174.721 3.247 19383 413 1 2 . 1 1 531 531 TRP CA C 531 56.378 56.378 55.219 1.159 19383 414 1 2 . 1 1 531 531 TRP CB C 531 29.409 29.409 27.206 2.203 19383 415 1 2 . 1 1 531 531 TRP H H 531 7.398 7.398 8.505 -1.107 19383 416 1 2 . 1 1 532 532 ILE N N 532 121.501 121.501 114.198 7.303 19383 417 1 2 . 1 1 532 532 ILE HA H 532 3.768 3.768 4.516 -0.748 19383 418 1 2 . 1 1 532 532 ILE CA C 532 63.813 63.813 57.941 5.872 19383 419 1 2 . 1 1 532 532 ILE H H 532 7.197 7.197 7.756 -0.559 19383 420 1 2 . 1 1 533 533 PRO HA H 533 4.169 4.169 4.347 -0.178 19383 421 1 2 . 1 1 533 533 PRO CA C 533 64.431 64.431 63.913 0.517 19383 422 1 2 . 1 1 533 533 PRO CB C 533 32.238 32.238 30.903 1.335 19383 423 1 2 . 1 1 534 534 TYR HA H 534 4.086 4.086 4.348 -0.262 19383 424 1 2 . 1 1 534 534 TYR CA C 534 60.819 60.819 60.144 0.675 19383 425 1 2 . 1 1 534 534 TYR CB C 534 38.437 38.437 39.040 -0.603 19383 426 1 2 . 1 1 534 534 TYR H H 534 8.066 8.066 7.841 0.225 19383 427 1 2 . 1 1 535 535 PHE HA H 535 4.316 4.316 4.249 0.067 19383 428 1 2 . 1 1 535 535 PHE C C 535 175.669 175.669 176.510 -0.841 19383 429 1 2 . 1 1 535 535 PHE CA C 535 58.885 58.885 59.949 -1.064 19383 430 1 2 . 1 1 535 535 PHE CB C 535 40.304 40.304 39.238 1.066 19383 431 1 2 . 1 1 535 535 PHE H H 535 8.123 8.123 8.348 -0.225 19383 432 1 2 . 1 1 536 536 GLY N N 536 107.103 107.103 105.721 1.382 19383 433 1 2 . 1 1 536 536 GLY CA C 536 46.510 46.510 44.780 1.730 19383 434 1 2 . 1 1 536 536 GLY H H 536 8.031 8.031 7.930 0.101 19383 435 1 2 . 1 1 537 537 PRO HA H 537 4.210 4.210 4.518 -0.308 19383 436 1 2 . 1 1 537 537 PRO C C 537 175.183 175.183 176.704 -1.521 19383 437 1 2 . 1 1 537 537 PRO CA C 537 64.563 64.563 62.508 2.055 19383 438 1 2 . 1 1 537 537 PRO CB C 537 31.618 31.618 31.993 -0.375 19383 439 1 2 . 1 1 538 538 ALA N N 538 120.228 120.228 121.599 -1.371 19383 440 1 2 . 1 1 538 538 ALA HA H 538 4.095 4.095 4.040 0.055 19383 441 1 2 . 1 1 538 538 ALA C C 538 175.268 175.268 179.264 -3.996 19383 442 1 2 . 1 1 538 538 ALA CA C 538 54.373 54.373 54.578 -0.205 19383 443 1 2 . 1 1 538 538 ALA CB C 538 18.694 18.694 18.445 0.249 19383 444 1 2 . 1 1 538 538 ALA H H 538 7.799 7.799 8.196 -0.397 19383 445 1 2 . 1 1 539 539 ALA N N 539 120.412 120.412 119.138 1.274 19383 446 1 2 . 1 1 539 539 ALA HA H 539 3.883 3.883 4.117 -0.234 19383 447 1 2 . 1 1 539 539 ALA C C 539 175.516 175.516 179.825 -4.309 19383 448 1 2 . 1 1 539 539 ALA CA C 539 54.526 54.526 54.610 -0.084 19383 449 1 2 . 1 1 539 539 ALA CB C 539 18.780 18.780 16.989 1.791 19383 450 1 2 . 1 1 539 539 ALA H H 539 8.208 8.208 8.366 -0.158 19383 451 1 2 . 1 1 540 540 GLU N N 540 116.209 116.209 119.658 -3.449 19383 452 1 2 . 1 1 540 540 GLU HA H 540 3.933 3.933 4.158 -0.225 19383 453 1 2 . 1 1 540 540 GLU C C 540 176.525 176.525 177.336 -0.811 19383 454 1 2 . 1 1 540 540 GLU CA C 540 58.522 58.522 59.208 -0.686 19383 455 1 2 . 1 1 540 540 GLU CB C 540 28.907 28.907 29.541 -0.634 19383 456 1 2 . 1 1 540 540 GLU H H 540 8.162 8.162 8.832 -0.670 19383 457 1 2 . 1 1 541 541 GLY N N 541 107.297 107.297 104.977 2.320 19383 458 1 2 . 1 1 541 541 GLY C C 541 178.784 178.784 175.543 3.241 19383 459 1 2 . 1 1 541 541 GLY CA C 541 45.692 45.692 45.195 0.497 19383 460 1 2 . 1 1 541 541 GLY H H 541 8.033 8.033 8.187 -0.154 19383 461 1 2 . 1 1 542 542 ILE N N 542 121.066 121.066 118.600 2.466 19383 462 1 2 . 1 1 542 542 ILE HA H 542 3.765 3.765 3.822 -0.057 19383 463 1 2 . 1 1 542 542 ILE C C 542 176.804 176.804 176.000 0.804 19383 464 1 2 . 1 1 542 542 ILE CA C 542 63.871 63.871 62.050 1.821 19383 465 1 2 . 1 1 542 542 ILE CB C 542 38.075 38.075 37.357 0.718 19383 466 1 2 . 1 1 542 542 ILE H H 542 7.870 7.870 7.926 -0.056 19383 467 1 2 . 1 1 543 543 TYR N N 543 120.347 120.347 119.962 0.385 19383 468 1 2 . 1 1 543 543 TYR HA H 543 4.144 4.144 4.604 -0.460 19383 469 1 2 . 1 1 543 543 TYR C C 543 179.780 179.780 175.636 4.144 19383 470 1 2 . 1 1 543 543 TYR CA C 543 60.629 60.629 58.773 1.856 19383 471 1 2 . 1 1 543 543 TYR CB C 543 38.425 38.425 39.826 -1.401 19383 472 1 2 . 1 1 543 543 TYR H H 543 8.066 8.066 8.259 -0.193 19383 473 1 2 . 1 1 544 544 ALA N N 544 119.787 119.787 121.790 -2.003 19383 474 1 2 . 1 1 544 544 ALA HA H 544 3.926 3.926 4.303 -0.377 19383 475 1 2 . 1 1 544 544 ALA C C 544 175.014 175.014 177.181 -2.167 19383 476 1 2 . 1 1 544 544 ALA CA C 544 54.262 54.262 52.999 1.263 19383 477 1 2 . 1 1 544 544 ALA CB C 544 18.991 18.991 20.266 -1.275 19383 478 1 2 . 1 1 544 544 ALA H H 544 7.910 7.910 7.777 0.133 19383 479 1 2 . 1 1 545 545 GLU N N 545 115.906 115.906 118.080 -2.174 19383 480 1 2 . 1 1 545 545 GLU HA H 545 4.056 4.056 4.394 -0.338 19383 481 1 2 . 1 1 545 545 GLU C C 545 176.541 176.541 178.067 -1.526 19383 482 1 2 . 1 1 545 545 GLU CA C 545 56.978 56.978 56.297 0.681 19383 483 1 2 . 1 1 545 545 GLU CB C 545 29.625 29.625 32.196 -2.571 19383 484 1 2 . 1 1 545 545 GLU H H 545 7.866 7.866 8.179 -0.313 19383 485 1 2 . 1 1 546 546 GLY N N 546 107.293 107.293 109.166 -1.873 19383 486 1 2 . 1 1 546 546 GLY C C 546 180.358 180.358 174.289 6.069 19383 487 1 2 . 1 1 546 546 GLY CA C 546 45.645 45.645 47.035 -1.390 19383 488 1 2 . 1 1 546 546 GLY H H 546 8.019 8.019 8.331 -0.312 19383 489 1 2 . 1 1 547 547 LEU N N 547 121.469 121.469 113.788 7.681 19383 490 1 2 . 1 1 547 547 LEU HA H 547 4.147 4.147 4.417 -0.270 19383 491 1 2 . 1 1 547 547 LEU C C 547 176.730 176.730 176.190 0.540 19383 492 1 2 . 1 1 547 547 LEU CA C 547 55.851 55.851 56.090 -0.239 19383 493 1 2 . 1 1 547 547 LEU CB C 547 42.514 42.514 42.033 0.481 19383 494 1 2 . 1 1 547 547 LEU H H 547 7.892 7.892 7.557 0.335 19383 495 1 2 . 1 1 548 548 MET N N 548 116.092 116.092 119.170 -3.078 19383 496 1 2 . 1 1 548 548 MET HA H 548 4.218 4.218 4.462 -0.244 19383 497 1 2 . 1 1 548 548 MET C C 548 177.832 177.832 177.115 0.717 19383 498 1 2 . 1 1 548 548 MET CA C 548 55.861 55.861 54.951 0.910 19383 499 1 2 . 1 1 548 548 MET CB C 548 32.338 32.338 32.604 -0.266 19383 500 1 2 . 1 1 548 548 MET H H 548 7.995 7.995 8.344 -0.349 19383 501 1 2 . 1 1 549 549 HIS N N 549 116.959 116.959 116.935 0.024 19383 502 1 2 . 1 1 549 549 HIS HA H 549 4.577 4.577 4.665 -0.088 19383 503 1 2 . 1 1 549 549 HIS C C 549 179.852 179.852 175.285 4.567 19383 504 1 2 . 1 1 549 549 HIS CA C 549 55.656 55.656 57.689 -2.033 19383 505 1 2 . 1 1 549 549 HIS CB C 549 28.847 28.847 28.841 0.006 19383 506 1 2 . 1 1 549 549 HIS H H 549 8.074 8.074 8.293 -0.219 19383 507 1 2 . 1 1 550 550 ASN N N 550 118.599 118.599 117.081 1.518 19383 508 1 2 . 1 1 550 550 ASN HA H 550 4.611 4.611 4.841 -0.230 19383 509 1 2 . 1 1 550 550 ASN C C 550 178.753 178.753 175.170 3.583 19383 510 1 2 . 1 1 550 550 ASN CA C 550 53.651 53.651 54.391 -0.740 19383 511 1 2 . 1 1 550 550 ASN CB C 550 38.884 38.884 39.846 -0.962 19383 512 1 2 . 1 1 550 550 ASN H H 550 8.235 8.235 7.824 0.411 19383 513 1 2 . 1 1 551 551 GLN N N 551 119.902 119.902 119.521 0.381 19383 514 1 2 . 1 1 551 551 GLN HA H 551 4.203 4.203 4.132 0.071 19383 515 1 2 . 1 1 551 551 GLN C C 551 178.390 178.390 175.594 2.796 19383 516 1 2 . 1 1 551 551 GLN CA C 551 56.276 56.276 56.195 0.081 19383 517 1 2 . 1 1 551 551 GLN CB C 551 28.931 28.931 26.802 2.128 19383 518 1 2 . 1 1 551 551 GLN H H 551 8.359 8.359 7.379 0.980 19383 519 1 2 . 1 1 552 552 ASP N N 552 119.524 119.524 117.981 1.543 19383 520 1 2 . 1 1 552 552 ASP HA H 552 4.448 4.448 4.814 -0.366 19383 521 1 2 . 1 1 552 552 ASP C C 552 177.522 177.522 177.053 0.469 19383 522 1 2 . 1 1 552 552 ASP CA C 552 54.856 54.856 52.322 2.534 19383 523 1 2 . 1 1 552 552 ASP CB C 552 40.814 40.814 40.798 0.016 19383 524 1 2 . 1 1 552 552 ASP H H 552 8.190 8.190 8.460 -0.270 19383 525 1 2 . 1 1 553 553 GLY N N 553 108.043 108.043 107.155 0.888 19383 526 1 2 . 1 1 553 553 GLY C C 553 179.757 179.757 175.511 4.246 19383 527 1 2 . 1 1 553 553 GLY CA C 553 45.626 45.626 45.376 0.250 19383 528 1 2 . 1 1 553 553 GLY H H 553 8.130 8.130 7.998 0.132 19383 529 1 2 . 1 1 554 554 LEU N N 554 121.485 121.485 122.680 -1.195 19383 530 1 2 . 1 1 554 554 LEU HA H 554 4.168 4.168 4.086 0.082 19383 531 1 2 . 1 1 554 554 LEU C C 554 176.732 176.732 178.005 -1.273 19383 532 1 2 . 1 1 554 554 LEU CA C 554 56.145 56.145 57.914 -1.769 19383 533 1 2 . 1 1 554 554 LEU CB C 554 42.513 42.513 41.934 0.579 19383 534 1 2 . 1 1 554 554 LEU H H 554 8.081 8.081 7.386 0.695 19383 535 1 2 . 1 1 555 555 ILE N N 555 117.390 117.390 118.532 -1.142 19383 536 1 2 . 1 1 555 555 ILE HA H 555 3.954 3.954 4.044 -0.090 19383 537 1 2 . 1 1 555 555 ILE C C 555 178.242 178.242 176.459 1.783 19383 538 1 2 . 1 1 555 555 ILE CA C 555 61.929 61.929 59.006 2.923 19383 539 1 2 . 1 1 555 555 ILE CB C 555 38.317 38.317 34.510 3.807 19383 540 1 2 . 1 1 555 555 ILE H H 555 7.976 7.976 7.769 0.207 19383 541 1 2 . 1 1 556 556 CYS N N 556 119.495 119.495 123.077 -3.582 19383 542 1 2 . 1 1 556 556 CYS HA H 556 4.411 4.411 4.212 0.199 19383 543 1 2 . 1 1 556 556 CYS C C 556 178.872 178.872 176.645 2.227 19383 544 1 2 . 1 1 556 556 CYS CA C 556 56.233 56.233 61.327 -5.094 19383 545 1 2 . 1 1 556 556 CYS CB C 556 41.438 41.438 26.297 15.141 19383 546 1 2 . 1 1 556 556 CYS H H 556 8.214 8.214 8.706 -0.492 19383 547 1 2 . 1 1 557 557 GLY N N 557 108.419 108.419 108.267 0.152 19383 548 1 2 . 1 1 557 557 GLY C C 557 180.393 180.393 176.168 4.225 19383 549 1 2 . 1 1 557 557 GLY CA C 557 45.701 45.701 47.183 -1.482 19383 550 1 2 . 1 1 557 557 GLY H H 557 8.141 8.141 8.634 -0.493 19383 551 1 2 . 1 1 558 558 LEU N N 558 120.318 120.318 119.736 0.582 19383 552 1 2 . 1 1 558 558 LEU HA H 558 4.237 4.237 4.078 0.159 19383 553 1 2 . 1 1 558 558 LEU C C 558 177.398 177.398 177.468 -0.070 19383 554 1 2 . 1 1 558 558 LEU CA C 558 55.730 55.730 56.615 -0.885 19383 555 1 2 . 1 1 558 558 LEU CB C 558 42.585 42.585 41.389 1.196 19383 556 1 2 . 1 1 558 558 LEU H H 558 7.837 7.837 7.353 0.484 19383 557 1 2 . 1 1 559 559 ARG N N 559 119.828 119.828 117.075 2.753 19383 558 1 2 . 1 1 559 559 ARG HA H 559 4.245 4.245 3.918 0.327 19383 559 1 2 . 1 1 559 559 ARG C C 559 179.052 179.052 176.163 2.889 19383 560 1 2 . 1 1 559 559 ARG CA C 559 55.773 55.773 57.258 -1.485 19383 561 1 2 . 1 1 559 559 ARG CB C 559 31.191 31.191 29.370 1.821 19383 562 1 2 . 1 1 559 559 ARG H H 559 8.007 8.007 7.608 0.399 19383 563 1 3 . 1 1 508 508 GLN N N 508 120.721 120.721 119.914 0.807 19383 564 1 3 . 1 1 508 508 GLN HA H 508 4.607 4.607 4.665 -0.058 19383 565 1 3 . 1 1 508 508 GLN CA C 508 53.627 53.627 53.654 -0.027 19383 566 1 3 . 1 1 508 508 GLN CB C 508 28.849 28.849 29.973 -1.124 19383 567 1 3 . 1 1 508 508 GLN H H 508 8.575 8.575 8.314 0.261 19383 568 1 3 . 1 1 509 509 PRO HA H 509 4.329 4.329 4.374 -0.045 19383 569 1 3 . 1 1 509 509 PRO C C 509 177.740 177.740 176.623 1.117 19383 570 1 3 . 1 1 509 509 PRO CA C 509 63.094 63.094 63.516 -0.422 19383 571 1 3 . 1 1 509 509 PRO CB C 509 32.083 32.083 32.038 0.045 19383 572 1 3 . 1 1 510 510 LYS N N 510 121.228 121.228 115.423 5.805 19383 573 1 3 . 1 1 510 510 LYS HA H 510 4.233 4.233 4.093 0.141 19383 574 1 3 . 1 1 510 510 LYS C C 510 177.951 177.951 175.372 2.579 19383 575 1 3 . 1 1 510 510 LYS CA C 510 55.910 55.910 56.623 -0.713 19383 576 1 3 . 1 1 510 510 LYS CB C 510 32.985 32.985 30.497 2.488 19383 577 1 3 . 1 1 510 510 LYS H H 510 8.330 8.330 8.254 0.076 19383 578 1 3 . 1 1 511 511 CYS N N 511 119.374 119.374 118.392 0.982 19383 579 1 3 . 1 1 511 511 CYS HA H 511 4.562 4.562 4.281 0.281 19383 580 1 3 . 1 1 511 511 CYS C C 511 180.885 180.885 174.913 5.972 19383 581 1 3 . 1 1 511 511 CYS CA C 511 55.085 55.085 60.051 -4.966 19383 582 1 3 . 1 1 511 511 CYS CB C 511 41.809 41.809 25.932 15.877 19383 583 1 3 . 1 1 511 511 CYS H H 511 8.284 8.284 8.306 -0.022 19383 584 1 3 . 1 1 512 512 ASN N N 512 122.292 122.292 123.488 -1.196 19383 585 1 3 . 1 1 512 512 ASN HA H 512 4.898 4.898 5.005 -0.107 19383 586 1 3 . 1 1 512 512 ASN CA C 512 50.921 50.921 51.223 -0.302 19383 587 1 3 . 1 1 512 512 ASN CB C 512 39.105 39.105 40.087 -0.982 19383 588 1 3 . 1 1 512 512 ASN H H 512 8.614 8.614 8.513 0.101 19383 589 1 3 . 1 1 513 513 PRO HA H 513 4.294 4.294 4.794 -0.500 19383 590 1 3 . 1 1 513 513 PRO C C 513 177.920 177.920 175.924 1.996 19383 591 1 3 . 1 1 513 513 PRO CA C 513 63.373 63.373 63.158 0.215 19383 592 1 3 . 1 1 513 513 PRO CB C 513 31.880 31.880 31.456 0.424 19383 593 1 3 . 1 1 514 514 ASN N N 514 117.476 117.476 116.120 1.356 19383 594 1 3 . 1 1 514 514 ASN HA H 514 4.557 4.557 4.612 -0.055 19383 595 1 3 . 1 1 514 514 ASN C C 514 179.369 179.369 175.883 3.486 19383 596 1 3 . 1 1 514 514 ASN CA C 514 53.454 53.454 53.646 -0.192 19383 597 1 3 . 1 1 514 514 ASN CB C 514 38.954 38.954 39.408 -0.454 19383 598 1 3 . 1 1 514 514 ASN H H 514 8.285 8.285 7.955 0.330 19383 599 1 3 . 1 1 515 515 LEU N N 515 121.054 121.054 123.115 -2.061 19383 600 1 3 . 1 1 515 515 LEU HA H 515 4.154 4.154 4.373 -0.219 19383 601 1 3 . 1 1 515 515 LEU C C 515 177.719 177.719 176.173 1.546 19383 602 1 3 . 1 1 515 515 LEU CA C 515 55.268 55.268 54.338 0.930 19383 603 1 3 . 1 1 515 515 LEU CB C 515 42.079 42.079 40.115 1.964 19383 604 1 3 . 1 1 515 515 LEU H H 515 7.770 7.770 7.514 0.256 19383 605 1 3 . 1 1 516 516 HIS N N 516 117.461 117.461 118.267 -0.806 19383 606 1 3 . 1 1 516 516 HIS HA H 516 4.451 4.451 4.296 0.155 19383 607 1 3 . 1 1 516 516 HIS C C 516 179.871 179.871 175.218 4.653 19383 608 1 3 . 1 1 516 516 HIS CA C 516 55.414 55.414 56.857 -1.443 19383 609 1 3 . 1 1 516 516 HIS CB C 516 28.867 28.867 29.968 -1.101 19383 610 1 3 . 1 1 516 516 HIS H H 516 8.126 8.126 7.353 0.773 19383 611 1 3 . 1 1 517 517 TYR N N 517 120.302 120.302 120.635 -0.333 19383 612 1 3 . 1 1 517 517 TYR HA H 517 4.222 4.222 4.241 -0.019 19383 613 1 3 . 1 1 517 517 TYR C C 517 178.883 178.883 176.300 2.583 19383 614 1 3 . 1 1 517 517 TYR CA C 517 59.410 59.410 59.745 -0.335 19383 615 1 3 . 1 1 517 517 TYR CB C 517 38.843 38.843 37.809 1.034 19383 616 1 3 . 1 1 517 517 TYR H H 517 8.101 8.101 7.919 0.182 19383 617 1 3 . 1 1 518 518 TRP N N 518 118.660 118.660 117.261 1.399 19383 618 1 3 . 1 1 518 518 TRP HA H 518 4.569 4.569 5.015 -0.446 19383 619 1 3 . 1 1 518 518 TRP C C 518 178.468 178.468 177.423 1.045 19383 620 1 3 . 1 1 518 518 TRP CA C 518 57.501 57.501 57.394 0.107 19383 621 1 3 . 1 1 518 518 TRP CB C 518 29.619 29.619 29.634 -0.015 19383 622 1 3 . 1 1 518 518 TRP H H 518 7.665 7.665 8.248 -0.583 19383 623 1 3 . 1 1 519 519 THR N N 519 112.373 112.373 111.239 1.134 19383 624 1 3 . 1 1 519 519 THR HA H 519 4.351 4.351 3.819 0.532 19383 625 1 3 . 1 1 519 519 THR C C 519 179.594 179.594 175.211 4.383 19383 626 1 3 . 1 1 519 519 THR CA C 519 61.654 61.654 64.738 -3.084 19383 627 1 3 . 1 1 519 519 THR CB C 519 69.859 69.859 67.646 2.213 19383 628 1 3 . 1 1 519 519 THR H H 519 7.894 7.894 7.886 0.008 19383 629 1 3 . 1 1 520 520 THR N N 520 114.438 114.438 115.485 -1.047 19383 630 1 3 . 1 1 520 520 THR HA H 520 4.256 4.256 4.362 -0.106 19383 631 1 3 . 1 1 520 520 THR C C 520 179.419 179.419 175.415 4.004 19383 632 1 3 . 1 1 520 520 THR CA C 520 62.019 62.019 63.652 -1.633 19383 633 1 3 . 1 1 520 520 THR CB C 520 69.709 69.709 68.697 1.012 19383 634 1 3 . 1 1 520 520 THR H H 520 7.957 7.957 8.538 -0.581 19383 635 1 3 . 1 1 521 521 GLN N N 521 121.453 121.453 121.975 -0.522 19383 636 1 3 . 1 1 521 521 GLN HA H 521 4.175 4.175 4.166 0.009 19383 637 1 3 . 1 1 521 521 GLN C C 521 178.345 178.345 176.370 1.975 19383 638 1 3 . 1 1 521 521 GLN CA C 521 56.302 56.302 58.469 -2.167 19383 639 1 3 . 1 1 521 521 GLN CB C 521 29.118 29.118 28.782 0.336 19383 640 1 3 . 1 1 521 521 GLN H H 521 8.224 8.224 8.594 -0.370 19383 641 1 3 . 1 1 522 522 ASP N N 522 120.227 120.227 117.472 2.755 19383 642 1 3 . 1 1 522 522 ASP HA H 522 4.461 4.461 4.761 -0.300 19383 643 1 3 . 1 1 522 522 ASP C C 522 177.838 177.838 177.301 0.537 19383 644 1 3 . 1 1 522 522 ASP CA C 522 54.741 54.741 54.905 -0.164 19383 645 1 3 . 1 1 522 522 ASP CB C 522 40.847 40.847 40.936 -0.089 19383 646 1 3 . 1 1 522 522 ASP H H 522 8.155 8.155 7.826 0.329 19383 647 1 3 . 1 1 523 523 GLU N N 523 120.511 120.511 119.527 0.984 19383 648 1 3 . 1 1 523 523 GLU HA H 523 4.102 4.102 4.228 -0.126 19383 649 1 3 . 1 1 523 523 GLU C C 523 177.165 177.165 177.540 -0.375 19383 650 1 3 . 1 1 523 523 GLU CA C 523 57.161 57.161 58.315 -1.154 19383 651 1 3 . 1 1 523 523 GLU CB C 523 29.153 29.153 29.589 -0.436 19383 652 1 3 . 1 1 523 523 GLU H H 523 8.250 8.250 8.014 0.236 19383 653 1 3 . 1 1 524 524 GLY N N 524 108.395 108.395 105.677 2.718 19383 654 1 3 . 1 1 524 524 GLY C C 524 179.999 179.999 173.521 6.478 19383 655 1 3 . 1 1 524 524 GLY CA C 524 45.791 45.791 44.588 1.203 19383 656 1 3 . 1 1 524 524 GLY H H 524 8.308 8.308 7.863 0.445 19383 657 1 3 . 1 1 525 525 ALA N N 525 123.026 123.026 123.425 -0.399 19383 658 1 3 . 1 1 525 525 ALA HA H 525 4.139 4.139 4.650 -0.511 19383 659 1 3 . 1 1 525 525 ALA C C 525 176.642 176.642 177.426 -0.784 19383 660 1 3 . 1 1 525 525 ALA CA C 525 52.706 52.706 52.622 0.084 19383 661 1 3 . 1 1 525 525 ALA CB C 525 19.148 19.148 19.970 -0.822 19383 662 1 3 . 1 1 525 525 ALA H H 525 7.884 7.884 7.836 0.048 19383 663 1 3 . 1 1 526 526 ALA N N 526 121.593 121.593 121.193 0.400 19383 664 1 3 . 1 1 526 526 ALA HA H 526 4.164 4.164 4.797 -0.633 19383 665 1 3 . 1 1 526 526 ALA C C 526 176.320 176.320 177.338 -1.018 19383 666 1 3 . 1 1 526 526 ALA CA C 526 52.788 52.788 51.864 0.924 19383 667 1 3 . 1 1 526 526 ALA CB C 526 19.055 19.055 19.924 -0.869 19383 668 1 3 . 1 1 526 526 ALA H H 526 8.027 8.027 8.009 0.018 19383 669 1 3 . 1 1 527 527 ILE N N 527 117.907 117.907 115.134 2.773 19383 670 1 3 . 1 1 527 527 ILE HA H 527 3.874 3.874 4.349 -0.475 19383 671 1 3 . 1 1 527 527 ILE C C 527 177.983 177.983 177.185 0.798 19383 672 1 3 . 1 1 527 527 ILE CA C 527 61.894 61.894 61.041 0.854 19383 673 1 3 . 1 1 527 527 ILE CB C 527 38.485 38.485 38.086 0.399 19383 674 1 3 . 1 1 527 527 ILE H H 527 7.913 7.913 7.809 0.104 19383 675 1 3 . 1 1 528 528 GLY N N 528 109.328 109.328 108.951 0.377 19383 676 1 3 . 1 1 528 528 GLY C C 528 180.040 180.040 175.400 4.640 19383 677 1 3 . 1 1 528 528 GLY CA C 528 45.877 45.877 47.027 -1.150 19383 678 1 3 . 1 1 528 528 GLY H H 528 8.045 8.045 8.562 -0.517 19383 679 1 3 . 1 1 529 529 LEU N N 529 119.297 119.297 115.483 3.814 19383 680 1 3 . 1 1 529 529 LEU HA H 529 4.076 4.076 4.731 -0.655 19383 681 1 3 . 1 1 529 529 LEU C C 529 177.413 177.413 177.264 0.149 19383 682 1 3 . 1 1 529 529 LEU CA C 529 55.759 55.759 55.545 0.214 19383 683 1 3 . 1 1 529 529 LEU CB C 529 42.321 42.321 42.319 0.002 19383 684 1 3 . 1 1 529 529 LEU H H 529 8.083 8.083 7.440 0.643 19383 685 1 3 . 1 1 530 530 ALA N N 530 120.355 120.355 118.991 1.364 19383 686 1 3 . 1 1 530 530 ALA HA H 530 4.035 4.035 4.745 -0.710 19383 687 1 3 . 1 1 530 530 ALA C C 530 177.142 177.142 178.805 -1.663 19383 688 1 3 . 1 1 530 530 ALA CA C 530 53.814 53.814 51.857 1.957 19383 689 1 3 . 1 1 530 530 ALA CB C 530 18.780 18.780 19.928 -1.148 19383 690 1 3 . 1 1 530 530 ALA H H 530 8.015 8.015 7.423 0.592 19383 691 1 3 . 1 1 531 531 TRP N N 531 114.575 114.575 123.184 -8.609 19383 692 1 3 . 1 1 531 531 TRP HA H 531 4.589 4.589 4.659 -0.070 19383 693 1 3 . 1 1 531 531 TRP C C 531 177.968 177.968 174.861 3.107 19383 694 1 3 . 1 1 531 531 TRP CA C 531 56.378 56.378 58.099 -1.721 19383 695 1 3 . 1 1 531 531 TRP CB C 531 29.409 29.409 28.793 0.616 19383 696 1 3 . 1 1 531 531 TRP H H 531 7.398 7.398 8.391 -0.993 19383 697 1 3 . 1 1 532 532 ILE N N 532 121.501 121.501 113.266 8.235 19383 698 1 3 . 1 1 532 532 ILE HA H 532 3.768 3.768 4.586 -0.818 19383 699 1 3 . 1 1 532 532 ILE CA C 532 63.813 63.813 58.100 5.713 19383 700 1 3 . 1 1 532 532 ILE H H 532 7.197 7.197 7.773 -0.576 19383 701 1 3 . 1 1 533 533 PRO HA H 533 4.169 4.169 4.381 -0.212 19383 702 1 3 . 1 1 533 533 PRO CA C 533 64.431 64.431 63.628 0.803 19383 703 1 3 . 1 1 533 533 PRO CB C 533 32.238 32.238 30.831 1.407 19383 704 1 3 . 1 1 534 534 TYR HA H 534 4.086 4.086 4.376 -0.290 19383 705 1 3 . 1 1 534 534 TYR CA C 534 60.819 60.819 59.800 1.018 19383 706 1 3 . 1 1 534 534 TYR CB C 534 38.437 38.437 38.855 -0.418 19383 707 1 3 . 1 1 534 534 TYR H H 534 8.066 8.066 8.022 0.044 19383 708 1 3 . 1 1 535 535 PHE HA H 535 4.316 4.316 4.227 0.089 19383 709 1 3 . 1 1 535 535 PHE C C 535 175.669 175.669 176.627 -0.958 19383 710 1 3 . 1 1 535 535 PHE CA C 535 58.885 58.885 60.017 -1.132 19383 711 1 3 . 1 1 535 535 PHE CB C 535 40.304 40.304 39.356 0.948 19383 712 1 3 . 1 1 535 535 PHE H H 535 8.123 8.123 8.345 -0.222 19383 713 1 3 . 1 1 536 536 GLY N N 536 107.103 107.103 105.617 1.486 19383 714 1 3 . 1 1 536 536 GLY CA C 536 46.510 46.510 44.803 1.707 19383 715 1 3 . 1 1 536 536 GLY H H 536 8.031 8.031 7.912 0.119 19383 716 1 3 . 1 1 537 537 PRO HA H 537 4.210 4.210 4.506 -0.296 19383 717 1 3 . 1 1 537 537 PRO C C 537 175.183 175.183 176.443 -1.260 19383 718 1 3 . 1 1 537 537 PRO CA C 537 64.563 64.563 62.610 1.953 19383 719 1 3 . 1 1 537 537 PRO CB C 537 31.618 31.618 31.775 -0.157 19383 720 1 3 . 1 1 538 538 ALA N N 538 120.228 120.228 121.361 -1.133 19383 721 1 3 . 1 1 538 538 ALA HA H 538 4.095 4.095 4.032 0.063 19383 722 1 3 . 1 1 538 538 ALA C C 538 175.268 175.268 178.718 -3.450 19383 723 1 3 . 1 1 538 538 ALA CA C 538 54.373 54.373 54.209 0.164 19383 724 1 3 . 1 1 538 538 ALA CB C 538 18.694 18.694 18.583 0.111 19383 725 1 3 . 1 1 538 538 ALA H H 538 7.799 7.799 8.231 -0.432 19383 726 1 3 . 1 1 539 539 ALA N N 539 120.412 120.412 119.347 1.065 19383 727 1 3 . 1 1 539 539 ALA HA H 539 3.883 3.883 4.043 -0.160 19383 728 1 3 . 1 1 539 539 ALA C C 539 175.516 175.516 179.641 -4.125 19383 729 1 3 . 1 1 539 539 ALA CA C 539 54.526 54.526 54.600 -0.074 19383 730 1 3 . 1 1 539 539 ALA CB C 539 18.780 18.780 17.012 1.768 19383 731 1 3 . 1 1 539 539 ALA H H 539 8.208 8.208 8.306 -0.098 19383 732 1 3 . 1 1 540 540 GLU N N 540 116.209 116.209 119.863 -3.654 19383 733 1 3 . 1 1 540 540 GLU HA H 540 3.933 3.933 4.059 -0.126 19383 734 1 3 . 1 1 540 540 GLU C C 540 176.525 176.525 177.220 -0.695 19383 735 1 3 . 1 1 540 540 GLU CA C 540 58.522 58.522 59.213 -0.691 19383 736 1 3 . 1 1 540 540 GLU CB C 540 28.907 28.907 29.519 -0.612 19383 737 1 3 . 1 1 540 540 GLU H H 540 8.162 8.162 8.639 -0.477 19383 738 1 3 . 1 1 541 541 GLY N N 541 107.297 107.297 103.031 4.266 19383 739 1 3 . 1 1 541 541 GLY C C 541 178.784 178.784 174.980 3.804 19383 740 1 3 . 1 1 541 541 GLY CA C 541 45.692 45.692 45.009 0.683 19383 741 1 3 . 1 1 541 541 GLY H H 541 8.033 8.033 8.270 -0.237 19383 742 1 3 . 1 1 542 542 ILE N N 542 121.066 121.066 117.056 4.010 19383 743 1 3 . 1 1 542 542 ILE HA H 542 3.765 3.765 3.909 -0.144 19383 744 1 3 . 1 1 542 542 ILE C C 542 176.804 176.804 175.716 1.088 19383 745 1 3 . 1 1 542 542 ILE CA C 542 63.871 63.871 62.112 1.759 19383 746 1 3 . 1 1 542 542 ILE CB C 542 38.075 38.075 37.453 0.622 19383 747 1 3 . 1 1 542 542 ILE H H 542 7.870 7.870 7.273 0.597 19383 748 1 3 . 1 1 543 543 TYR N N 543 120.347 120.347 119.248 1.099 19383 749 1 3 . 1 1 543 543 TYR HA H 543 4.144 4.144 4.544 -0.400 19383 750 1 3 . 1 1 543 543 TYR C C 543 179.780 179.780 175.544 4.236 19383 751 1 3 . 1 1 543 543 TYR CA C 543 60.629 60.629 58.433 2.196 19383 752 1 3 . 1 1 543 543 TYR CB C 543 38.425 38.425 39.840 -1.415 19383 753 1 3 . 1 1 543 543 TYR H H 543 8.066 8.066 8.072 -0.006 19383 754 1 3 . 1 1 544 544 ALA N N 544 119.787 119.787 121.901 -2.114 19383 755 1 3 . 1 1 544 544 ALA HA H 544 3.926 3.926 4.299 -0.373 19383 756 1 3 . 1 1 544 544 ALA C C 544 175.014 175.014 177.226 -2.212 19383 757 1 3 . 1 1 544 544 ALA CA C 544 54.262 54.262 53.031 1.231 19383 758 1 3 . 1 1 544 544 ALA CB C 544 18.991 18.991 20.156 -1.165 19383 759 1 3 . 1 1 544 544 ALA H H 544 7.910 7.910 7.778 0.132 19383 760 1 3 . 1 1 545 545 GLU N N 545 115.906 115.906 118.430 -2.524 19383 761 1 3 . 1 1 545 545 GLU HA H 545 4.056 4.056 4.379 -0.323 19383 762 1 3 . 1 1 545 545 GLU C C 545 176.541 176.541 178.025 -1.484 19383 763 1 3 . 1 1 545 545 GLU CA C 545 56.978 56.978 56.211 0.767 19383 764 1 3 . 1 1 545 545 GLU CB C 545 29.625 29.625 32.176 -2.551 19383 765 1 3 . 1 1 545 545 GLU H H 545 7.866 7.866 7.882 -0.016 19383 766 1 3 . 1 1 546 546 GLY N N 546 107.293 107.293 109.329 -2.036 19383 767 1 3 . 1 1 546 546 GLY C C 546 180.358 180.358 174.359 5.999 19383 768 1 3 . 1 1 546 546 GLY CA C 546 45.645 45.645 46.798 -1.153 19383 769 1 3 . 1 1 546 546 GLY H H 546 8.019 8.019 8.340 -0.321 19383 770 1 3 . 1 1 547 547 LEU N N 547 121.469 121.469 114.945 6.524 19383 771 1 3 . 1 1 547 547 LEU HA H 547 4.147 4.147 4.520 -0.373 19383 772 1 3 . 1 1 547 547 LEU C C 547 176.730 176.730 176.548 0.182 19383 773 1 3 . 1 1 547 547 LEU CA C 547 55.851 55.851 56.530 -0.679 19383 774 1 3 . 1 1 547 547 LEU CB C 547 42.514 42.514 42.042 0.472 19383 775 1 3 . 1 1 547 547 LEU H H 547 7.892 7.892 7.778 0.114 19383 776 1 3 . 1 1 548 548 MET N N 548 116.092 116.092 119.146 -3.054 19383 777 1 3 . 1 1 548 548 MET HA H 548 4.218 4.218 4.553 -0.335 19383 778 1 3 . 1 1 548 548 MET C C 548 177.832 177.832 177.312 0.520 19383 779 1 3 . 1 1 548 548 MET CA C 548 55.861 55.861 55.604 0.257 19383 780 1 3 . 1 1 548 548 MET CB C 548 32.338 32.338 32.648 -0.310 19383 781 1 3 . 1 1 548 548 MET H H 548 7.995 7.995 8.041 -0.046 19383 782 1 3 . 1 1 549 549 HIS N N 549 116.959 116.959 118.948 -1.989 19383 783 1 3 . 1 1 549 549 HIS HA H 549 4.577 4.577 4.595 -0.018 19383 784 1 3 . 1 1 549 549 HIS C C 549 179.852 179.852 175.240 4.612 19383 785 1 3 . 1 1 549 549 HIS CA C 549 55.656 55.656 58.379 -2.723 19383 786 1 3 . 1 1 549 549 HIS CB C 549 28.847 28.847 29.578 -0.731 19383 787 1 3 . 1 1 549 549 HIS H H 549 8.074 8.074 8.625 -0.551 19383 788 1 3 . 1 1 550 550 ASN N N 550 118.599 118.599 116.264 2.335 19383 789 1 3 . 1 1 550 550 ASN HA H 550 4.611 4.611 4.572 0.039 19383 790 1 3 . 1 1 550 550 ASN C C 550 178.753 178.753 174.772 3.981 19383 791 1 3 . 1 1 550 550 ASN CA C 550 53.651 53.651 54.636 -0.985 19383 792 1 3 . 1 1 550 550 ASN CB C 550 38.884 38.884 40.070 -1.186 19383 793 1 3 . 1 1 550 550 ASN H H 550 8.235 8.235 7.954 0.281 19383 794 1 3 . 1 1 551 551 GLN N N 551 119.902 119.902 119.819 0.083 19383 795 1 3 . 1 1 551 551 GLN HA H 551 4.203 4.203 4.194 0.009 19383 796 1 3 . 1 1 551 551 GLN C C 551 178.390 178.390 175.575 2.815 19383 797 1 3 . 1 1 551 551 GLN CA C 551 56.276 56.276 56.224 0.052 19383 798 1 3 . 1 1 551 551 GLN CB C 551 28.931 28.931 26.901 2.030 19383 799 1 3 . 1 1 551 551 GLN H H 551 8.359 8.359 8.208 0.151 19383 800 1 3 . 1 1 552 552 ASP N N 552 119.524 119.524 118.435 1.089 19383 801 1 3 . 1 1 552 552 ASP HA H 552 4.448 4.448 4.807 -0.359 19383 802 1 3 . 1 1 552 552 ASP C C 552 177.522 177.522 176.749 0.773 19383 803 1 3 . 1 1 552 552 ASP CA C 552 54.856 54.856 53.838 1.018 19383 804 1 3 . 1 1 552 552 ASP CB C 552 40.814 40.814 40.602 0.212 19383 805 1 3 . 1 1 552 552 ASP H H 552 8.190 8.190 8.570 -0.380 19383 806 1 3 . 1 1 553 553 GLY N N 553 108.043 108.043 107.189 0.854 19383 807 1 3 . 1 1 553 553 GLY C C 553 179.757 179.757 175.054 4.703 19383 808 1 3 . 1 1 553 553 GLY CA C 553 45.626 45.626 45.045 0.581 19383 809 1 3 . 1 1 553 553 GLY H H 553 8.130 8.130 8.082 0.048 19383 810 1 3 . 1 1 554 554 LEU N N 554 121.485 121.485 121.042 0.443 19383 811 1 3 . 1 1 554 554 LEU HA H 554 4.168 4.168 4.096 0.072 19383 812 1 3 . 1 1 554 554 LEU C C 554 176.732 176.732 178.350 -1.618 19383 813 1 3 . 1 1 554 554 LEU CA C 554 56.145 56.145 57.883 -1.738 19383 814 1 3 . 1 1 554 554 LEU CB C 554 42.513 42.513 42.010 0.503 19383 815 1 3 . 1 1 554 554 LEU H H 554 8.081 8.081 7.451 0.630 19383 816 1 3 . 1 1 555 555 ILE N N 555 117.390 117.390 118.849 -1.459 19383 817 1 3 . 1 1 555 555 ILE HA H 555 3.954 3.954 4.183 -0.229 19383 818 1 3 . 1 1 555 555 ILE C C 555 178.242 178.242 176.312 1.930 19383 819 1 3 . 1 1 555 555 ILE CA C 555 61.929 61.929 58.725 3.204 19383 820 1 3 . 1 1 555 555 ILE CB C 555 38.317 38.317 34.666 3.651 19383 821 1 3 . 1 1 555 555 ILE H H 555 7.976 7.976 7.888 0.088 19383 822 1 3 . 1 1 556 556 CYS N N 556 119.495 119.495 118.022 1.473 19383 823 1 3 . 1 1 556 556 CYS HA H 556 4.411 4.411 4.514 -0.103 19383 824 1 3 . 1 1 556 556 CYS C C 556 178.872 178.872 176.841 2.031 19383 825 1 3 . 1 1 556 556 CYS CA C 556 56.233 56.233 58.987 -2.754 19383 826 1 3 . 1 1 556 556 CYS CB C 556 41.438 41.438 26.876 14.562 19383 827 1 3 . 1 1 556 556 CYS H H 556 8.214 8.214 7.778 0.436 19383 828 1 3 . 1 1 557 557 GLY N N 557 108.419 108.419 109.558 -1.139 19383 829 1 3 . 1 1 557 557 GLY C C 557 180.393 180.393 175.463 4.930 19383 830 1 3 . 1 1 557 557 GLY CA C 557 45.701 45.701 46.978 -1.277 19383 831 1 3 . 1 1 557 557 GLY H H 557 8.141 8.141 8.511 -0.370 19383 832 1 3 . 1 1 558 558 LEU N N 558 120.318 120.318 118.273 2.045 19383 833 1 3 . 1 1 558 558 LEU HA H 558 4.237 4.237 4.040 0.197 19383 834 1 3 . 1 1 558 558 LEU C C 558 177.398 177.398 177.263 0.135 19383 835 1 3 . 1 1 558 558 LEU CA C 558 55.730 55.730 56.240 -0.510 19383 836 1 3 . 1 1 558 558 LEU CB C 558 42.585 42.585 41.942 0.643 19383 837 1 3 . 1 1 558 558 LEU H H 558 7.837 7.837 7.384 0.453 19383 838 1 3 . 1 1 559 559 ARG N N 559 119.828 119.828 117.242 2.586 19383 839 1 3 . 1 1 559 559 ARG HA H 559 4.245 4.245 3.896 0.349 19383 840 1 3 . 1 1 559 559 ARG C C 559 179.052 179.052 175.755 3.297 19383 841 1 3 . 1 1 559 559 ARG CA C 559 55.773 55.773 57.296 -1.523 19383 842 1 3 . 1 1 559 559 ARG CB C 559 31.191 31.191 29.518 1.673 19383 843 1 3 . 1 1 559 559 ARG H H 559 8.007 8.007 7.691 0.316 19383 844 1 4 . 1 1 508 508 GLN N N 508 120.721 120.721 120.014 0.707 19383 845 1 4 . 1 1 508 508 GLN HA H 508 4.607 4.607 4.628 -0.021 19383 846 1 4 . 1 1 508 508 GLN CA C 508 53.627 53.627 54.442 -0.815 19383 847 1 4 . 1 1 508 508 GLN CB C 508 28.849 28.849 29.963 -1.114 19383 848 1 4 . 1 1 508 508 GLN H H 508 8.575 8.575 8.361 0.214 19383 849 1 4 . 1 1 509 509 PRO HA H 509 4.329 4.329 4.756 -0.427 19383 850 1 4 . 1 1 509 509 PRO C C 509 177.740 177.740 176.975 0.765 19383 851 1 4 . 1 1 509 509 PRO CA C 509 63.094 63.094 63.090 0.004 19383 852 1 4 . 1 1 509 509 PRO CB C 509 32.083 32.083 32.908 -0.825 19383 853 1 4 . 1 1 510 510 LYS N N 510 121.228 121.228 115.607 5.621 19383 854 1 4 . 1 1 510 510 LYS HA H 510 4.233 4.233 4.002 0.231 19383 855 1 4 . 1 1 510 510 LYS C C 510 177.951 177.951 175.715 2.236 19383 856 1 4 . 1 1 510 510 LYS CA C 510 55.910 55.910 57.311 -1.401 19383 857 1 4 . 1 1 510 510 LYS CB C 510 32.985 32.985 30.652 2.333 19383 858 1 4 . 1 1 510 510 LYS H H 510 8.330 8.330 8.202 0.128 19383 859 1 4 . 1 1 511 511 CYS N N 511 119.374 119.374 118.104 1.270 19383 860 1 4 . 1 1 511 511 CYS HA H 511 4.562 4.562 4.315 0.247 19383 861 1 4 . 1 1 511 511 CYS C C 511 180.885 180.885 174.944 5.941 19383 862 1 4 . 1 1 511 511 CYS CA C 511 55.085 55.085 60.029 -4.944 19383 863 1 4 . 1 1 511 511 CYS CB C 511 41.809 41.809 25.000 16.809 19383 864 1 4 . 1 1 511 511 CYS H H 511 8.284 8.284 8.243 0.041 19383 865 1 4 . 1 1 512 512 ASN N N 512 122.292 122.292 120.188 2.104 19383 866 1 4 . 1 1 512 512 ASN HA H 512 4.898 4.898 5.040 -0.142 19383 867 1 4 . 1 1 512 512 ASN CA C 512 50.921 50.921 51.795 -0.875 19383 868 1 4 . 1 1 512 512 ASN CB C 512 39.105 39.105 40.672 -1.567 19383 869 1 4 . 1 1 512 512 ASN H H 512 8.614 8.614 8.516 0.098 19383 870 1 4 . 1 1 513 513 PRO HA H 513 4.294 4.294 4.968 -0.674 19383 871 1 4 . 1 1 513 513 PRO C C 513 177.920 177.920 176.064 1.856 19383 872 1 4 . 1 1 513 513 PRO CA C 513 63.373 63.373 63.450 -0.077 19383 873 1 4 . 1 1 513 513 PRO CB C 513 31.880 31.880 31.300 0.580 19383 874 1 4 . 1 1 514 514 ASN N N 514 117.476 117.476 116.803 0.673 19383 875 1 4 . 1 1 514 514 ASN HA H 514 4.557 4.557 4.771 -0.214 19383 876 1 4 . 1 1 514 514 ASN C C 514 179.369 179.369 175.717 3.652 19383 877 1 4 . 1 1 514 514 ASN CA C 514 53.454 53.454 53.684 -0.230 19383 878 1 4 . 1 1 514 514 ASN CB C 514 38.954 38.954 39.097 -0.143 19383 879 1 4 . 1 1 514 514 ASN H H 514 8.285 8.285 8.266 0.019 19383 880 1 4 . 1 1 515 515 LEU N N 515 121.054 121.054 122.907 -1.853 19383 881 1 4 . 1 1 515 515 LEU HA H 515 4.154 4.154 4.621 -0.467 19383 882 1 4 . 1 1 515 515 LEU C C 515 177.719 177.719 176.364 1.355 19383 883 1 4 . 1 1 515 515 LEU CA C 515 55.268 55.268 54.209 1.059 19383 884 1 4 . 1 1 515 515 LEU CB C 515 42.079 42.079 40.110 1.969 19383 885 1 4 . 1 1 515 515 LEU H H 515 7.770 7.770 7.532 0.238 19383 886 1 4 . 1 1 516 516 HIS N N 516 117.461 117.461 121.671 -4.210 19383 887 1 4 . 1 1 516 516 HIS HA H 516 4.451 4.451 4.523 -0.072 19383 888 1 4 . 1 1 516 516 HIS C C 516 179.871 179.871 175.326 4.545 19383 889 1 4 . 1 1 516 516 HIS CA C 516 55.414 55.414 58.618 -3.204 19383 890 1 4 . 1 1 516 516 HIS CB C 516 28.867 28.867 30.393 -1.526 19383 891 1 4 . 1 1 516 516 HIS H H 516 8.126 8.126 8.103 0.023 19383 892 1 4 . 1 1 517 517 TYR N N 517 120.302 120.302 118.455 1.847 19383 893 1 4 . 1 1 517 517 TYR HA H 517 4.222 4.222 4.379 -0.157 19383 894 1 4 . 1 1 517 517 TYR C C 517 178.883 178.883 177.259 1.624 19383 895 1 4 . 1 1 517 517 TYR CA C 517 59.410 59.410 60.516 -1.106 19383 896 1 4 . 1 1 517 517 TYR CB C 517 38.843 38.843 38.316 0.527 19383 897 1 4 . 1 1 517 517 TYR H H 517 8.101 8.101 8.441 -0.340 19383 898 1 4 . 1 1 518 518 TRP N N 518 118.660 118.660 118.290 0.370 19383 899 1 4 . 1 1 518 518 TRP HA H 518 4.569 4.569 4.615 -0.046 19383 900 1 4 . 1 1 518 518 TRP C C 518 178.468 178.468 177.351 1.117 19383 901 1 4 . 1 1 518 518 TRP CA C 518 57.501 57.501 59.521 -2.020 19383 902 1 4 . 1 1 518 518 TRP CB C 518 29.619 29.619 30.049 -0.430 19383 903 1 4 . 1 1 518 518 TRP H H 518 7.665 7.665 8.595 -0.930 19383 904 1 4 . 1 1 519 519 THR N N 519 112.373 112.373 110.200 2.173 19383 905 1 4 . 1 1 519 519 THR HA H 519 4.351 4.351 3.749 0.602 19383 906 1 4 . 1 1 519 519 THR C C 519 179.594 179.594 175.253 4.341 19383 907 1 4 . 1 1 519 519 THR CA C 519 61.654 61.654 65.293 -3.639 19383 908 1 4 . 1 1 519 519 THR CB C 519 69.859 69.859 67.317 2.542 19383 909 1 4 . 1 1 519 519 THR H H 519 7.894 7.894 8.140 -0.246 19383 910 1 4 . 1 1 520 520 THR N N 520 114.438 114.438 117.077 -2.639 19383 911 1 4 . 1 1 520 520 THR HA H 520 4.256 4.256 4.346 -0.090 19383 912 1 4 . 1 1 520 520 THR C C 520 179.419 179.419 175.642 3.777 19383 913 1 4 . 1 1 520 520 THR CA C 520 62.019 62.019 63.640 -1.621 19383 914 1 4 . 1 1 520 520 THR CB C 520 69.709 69.709 68.782 0.927 19383 915 1 4 . 1 1 520 520 THR H H 520 7.957 7.957 8.505 -0.548 19383 916 1 4 . 1 1 521 521 GLN N N 521 121.453 121.453 121.327 0.126 19383 917 1 4 . 1 1 521 521 GLN HA H 521 4.175 4.175 4.153 0.022 19383 918 1 4 . 1 1 521 521 GLN C C 521 178.345 178.345 176.978 1.367 19383 919 1 4 . 1 1 521 521 GLN CA C 521 56.302 56.302 59.033 -2.731 19383 920 1 4 . 1 1 521 521 GLN CB C 521 29.118 29.118 28.966 0.152 19383 921 1 4 . 1 1 521 521 GLN H H 521 8.224 8.224 8.222 0.002 19383 922 1 4 . 1 1 522 522 ASP N N 522 120.227 120.227 118.427 1.800 19383 923 1 4 . 1 1 522 522 ASP HA H 522 4.461 4.461 4.646 -0.185 19383 924 1 4 . 1 1 522 522 ASP C C 522 177.838 177.838 177.282 0.556 19383 925 1 4 . 1 1 522 522 ASP CA C 522 54.741 54.741 56.096 -1.355 19383 926 1 4 . 1 1 522 522 ASP CB C 522 40.847 40.847 41.403 -0.556 19383 927 1 4 . 1 1 522 522 ASP H H 522 8.155 8.155 7.682 0.473 19383 928 1 4 . 1 1 523 523 GLU N N 523 120.511 120.511 118.095 2.416 19383 929 1 4 . 1 1 523 523 GLU HA H 523 4.102 4.102 4.394 -0.292 19383 930 1 4 . 1 1 523 523 GLU C C 523 177.165 177.165 177.306 -0.141 19383 931 1 4 . 1 1 523 523 GLU CA C 523 57.161 57.161 58.200 -1.039 19383 932 1 4 . 1 1 523 523 GLU CB C 523 29.153 29.153 29.614 -0.461 19383 933 1 4 . 1 1 523 523 GLU H H 523 8.250 8.250 7.855 0.395 19383 934 1 4 . 1 1 524 524 GLY N N 524 108.395 108.395 105.762 2.633 19383 935 1 4 . 1 1 524 524 GLY C C 524 179.999 179.999 173.574 6.425 19383 936 1 4 . 1 1 524 524 GLY CA C 524 45.791 45.791 44.533 1.258 19383 937 1 4 . 1 1 524 524 GLY H H 524 8.308 8.308 7.498 0.810 19383 938 1 4 . 1 1 525 525 ALA N N 525 123.026 123.026 123.805 -0.779 19383 939 1 4 . 1 1 525 525 ALA HA H 525 4.139 4.139 4.298 -0.159 19383 940 1 4 . 1 1 525 525 ALA C C 525 176.642 176.642 177.189 -0.547 19383 941 1 4 . 1 1 525 525 ALA CA C 525 52.706 52.706 52.766 -0.060 19383 942 1 4 . 1 1 525 525 ALA CB C 525 19.148 19.148 20.120 -0.972 19383 943 1 4 . 1 1 525 525 ALA H H 525 7.884 7.884 7.638 0.246 19383 944 1 4 . 1 1 526 526 ALA N N 526 121.593 121.593 121.378 0.215 19383 945 1 4 . 1 1 526 526 ALA HA H 526 4.164 4.164 4.679 -0.515 19383 946 1 4 . 1 1 526 526 ALA C C 526 176.320 176.320 177.455 -1.135 19383 947 1 4 . 1 1 526 526 ALA CA C 526 52.788 52.788 52.227 0.561 19383 948 1 4 . 1 1 526 526 ALA CB C 526 19.055 19.055 19.772 -0.717 19383 949 1 4 . 1 1 526 526 ALA H H 526 8.027 8.027 7.923 0.104 19383 950 1 4 . 1 1 527 527 ILE N N 527 117.907 117.907 114.582 3.325 19383 951 1 4 . 1 1 527 527 ILE HA H 527 3.874 3.874 4.552 -0.678 19383 952 1 4 . 1 1 527 527 ILE C C 527 177.983 177.983 177.256 0.727 19383 953 1 4 . 1 1 527 527 ILE CA C 527 61.894 61.894 60.004 1.890 19383 954 1 4 . 1 1 527 527 ILE CB C 527 38.485 38.485 37.315 1.170 19383 955 1 4 . 1 1 527 527 ILE H H 527 7.913 7.913 7.588 0.325 19383 956 1 4 . 1 1 528 528 GLY N N 528 109.328 109.328 108.799 0.529 19383 957 1 4 . 1 1 528 528 GLY C C 528 180.040 180.040 175.262 4.778 19383 958 1 4 . 1 1 528 528 GLY CA C 528 45.877 45.877 46.927 -1.050 19383 959 1 4 . 1 1 528 528 GLY H H 528 8.045 8.045 8.648 -0.603 19383 960 1 4 . 1 1 529 529 LEU N N 529 119.297 119.297 116.953 2.344 19383 961 1 4 . 1 1 529 529 LEU HA H 529 4.076 4.076 4.724 -0.648 19383 962 1 4 . 1 1 529 529 LEU C C 529 177.413 177.413 177.504 -0.091 19383 963 1 4 . 1 1 529 529 LEU CA C 529 55.759 55.759 55.859 -0.100 19383 964 1 4 . 1 1 529 529 LEU CB C 529 42.321 42.321 42.288 0.033 19383 965 1 4 . 1 1 529 529 LEU H H 529 8.083 8.083 7.453 0.630 19383 966 1 4 . 1 1 530 530 ALA N N 530 120.355 120.355 119.015 1.340 19383 967 1 4 . 1 1 530 530 ALA HA H 530 4.035 4.035 4.526 -0.491 19383 968 1 4 . 1 1 530 530 ALA C C 530 177.142 177.142 178.046 -0.904 19383 969 1 4 . 1 1 530 530 ALA CA C 530 53.814 53.814 51.622 2.192 19383 970 1 4 . 1 1 530 530 ALA CB C 530 18.780 18.780 19.248 -0.468 19383 971 1 4 . 1 1 530 530 ALA H H 530 8.015 8.015 7.409 0.606 19383 972 1 4 . 1 1 531 531 TRP N N 531 114.575 114.575 120.014 -5.439 19383 973 1 4 . 1 1 531 531 TRP HA H 531 4.589 4.589 4.418 0.171 19383 974 1 4 . 1 1 531 531 TRP C C 531 177.968 177.968 175.401 2.567 19383 975 1 4 . 1 1 531 531 TRP CA C 531 56.378 56.378 58.581 -2.203 19383 976 1 4 . 1 1 531 531 TRP CB C 531 29.409 29.409 30.176 -0.767 19383 977 1 4 . 1 1 531 531 TRP H H 531 7.398 7.398 8.054 -0.656 19383 978 1 4 . 1 1 532 532 ILE N N 532 121.501 121.501 112.032 9.469 19383 979 1 4 . 1 1 532 532 ILE HA H 532 3.768 3.768 4.535 -0.767 19383 980 1 4 . 1 1 532 532 ILE CA C 532 63.813 63.813 57.562 6.252 19383 981 1 4 . 1 1 532 532 ILE H H 532 7.197 7.197 7.218 -0.021 19383 982 1 4 . 1 1 533 533 PRO HA H 533 4.169 4.169 4.404 -0.235 19383 983 1 4 . 1 1 533 533 PRO CA C 533 64.431 64.431 62.891 1.540 19383 984 1 4 . 1 1 533 533 PRO CB C 533 32.238 32.238 30.957 1.281 19383 985 1 4 . 1 1 534 534 TYR HA H 534 4.086 4.086 4.266 -0.180 19383 986 1 4 . 1 1 534 534 TYR CA C 534 60.819 60.819 60.776 0.043 19383 987 1 4 . 1 1 534 534 TYR CB C 534 38.437 38.437 38.964 -0.527 19383 988 1 4 . 1 1 534 534 TYR H H 534 8.066 8.066 8.163 -0.097 19383 989 1 4 . 1 1 535 535 PHE HA H 535 4.316 4.316 4.735 -0.419 19383 990 1 4 . 1 1 535 535 PHE C C 535 175.669 175.669 175.350 0.319 19383 991 1 4 . 1 1 535 535 PHE CA C 535 58.885 58.885 57.880 1.005 19383 992 1 4 . 1 1 535 535 PHE CB C 535 40.304 40.304 39.581 0.723 19383 993 1 4 . 1 1 535 535 PHE H H 535 8.123 8.123 8.120 0.003 19383 994 1 4 . 1 1 536 536 GLY N N 536 107.103 107.103 107.884 -0.781 19383 995 1 4 . 1 1 536 536 GLY CA C 536 46.510 46.510 42.765 3.745 19383 996 1 4 . 1 1 536 536 GLY H H 536 8.031 8.031 7.496 0.535 19383 997 1 4 . 1 1 537 537 PRO HA H 537 4.210 4.210 4.331 -0.121 19383 998 1 4 . 1 1 537 537 PRO C C 537 175.183 175.183 176.858 -1.675 19383 999 1 4 . 1 1 537 537 PRO CA C 537 64.563 64.563 63.758 0.805 19383 1000 1 4 . 1 1 537 537 PRO CB C 537 31.618 31.618 32.488 -0.870 19383 1001 1 4 . 1 1 538 538 ALA N N 538 120.228 120.228 119.324 0.904 19383 1002 1 4 . 1 1 538 538 ALA HA H 538 4.095 4.095 4.381 -0.286 19383 1003 1 4 . 1 1 538 538 ALA C C 538 175.268 175.268 178.957 -3.689 19383 1004 1 4 . 1 1 538 538 ALA CA C 538 54.373 54.373 51.939 2.434 19383 1005 1 4 . 1 1 538 538 ALA CB C 538 18.694 18.694 17.783 0.911 19383 1006 1 4 . 1 1 538 538 ALA H H 538 7.799 7.799 8.032 -0.233 19383 1007 1 4 . 1 1 539 539 ALA N N 539 120.412 120.412 123.057 -2.645 19383 1008 1 4 . 1 1 539 539 ALA HA H 539 3.883 3.883 4.145 -0.262 19383 1009 1 4 . 1 1 539 539 ALA C C 539 175.516 175.516 179.475 -3.959 19383 1010 1 4 . 1 1 539 539 ALA CA C 539 54.526 54.526 55.133 -0.607 19383 1011 1 4 . 1 1 539 539 ALA CB C 539 18.780 18.780 18.366 0.414 19383 1012 1 4 . 1 1 539 539 ALA H H 539 8.208 8.208 8.407 -0.199 19383 1013 1 4 . 1 1 540 540 GLU N N 540 116.209 116.209 117.356 -1.147 19383 1014 1 4 . 1 1 540 540 GLU HA H 540 3.933 3.933 4.280 -0.347 19383 1015 1 4 . 1 1 540 540 GLU C C 540 176.525 176.525 177.500 -0.975 19383 1016 1 4 . 1 1 540 540 GLU CA C 540 58.522 58.522 58.176 0.346 19383 1017 1 4 . 1 1 540 540 GLU CB C 540 28.907 28.907 28.958 -0.051 19383 1018 1 4 . 1 1 540 540 GLU H H 540 8.162 8.162 8.687 -0.525 19383 1019 1 4 . 1 1 541 541 GLY N N 541 107.297 107.297 105.900 1.397 19383 1020 1 4 . 1 1 541 541 GLY C C 541 178.784 178.784 174.457 4.327 19383 1021 1 4 . 1 1 541 541 GLY CA C 541 45.692 45.692 45.694 -0.002 19383 1022 1 4 . 1 1 541 541 GLY H H 541 8.033 8.033 8.423 -0.390 19383 1023 1 4 . 1 1 542 542 ILE N N 542 121.066 121.066 116.743 4.323 19383 1024 1 4 . 1 1 542 542 ILE HA H 542 3.765 3.765 4.768 -1.003 19383 1025 1 4 . 1 1 542 542 ILE C C 542 176.804 176.804 176.048 0.756 19383 1026 1 4 . 1 1 542 542 ILE CA C 542 63.871 63.871 61.623 2.248 19383 1027 1 4 . 1 1 542 542 ILE CB C 542 38.075 38.075 38.938 -0.863 19383 1028 1 4 . 1 1 542 542 ILE H H 542 7.870 7.870 7.919 -0.049 19383 1029 1 4 . 1 1 543 543 TYR N N 543 120.347 120.347 120.074 0.273 19383 1030 1 4 . 1 1 543 543 TYR HA H 543 4.144 4.144 4.670 -0.526 19383 1031 1 4 . 1 1 543 543 TYR C C 543 179.780 179.780 176.018 3.762 19383 1032 1 4 . 1 1 543 543 TYR CA C 543 60.629 60.629 59.395 1.234 19383 1033 1 4 . 1 1 543 543 TYR CB C 543 38.425 38.425 40.475 -2.050 19383 1034 1 4 . 1 1 543 543 TYR H H 543 8.066 8.066 8.225 -0.159 19383 1035 1 4 . 1 1 544 544 ALA N N 544 119.787 119.787 121.064 -1.277 19383 1036 1 4 . 1 1 544 544 ALA HA H 544 3.926 3.926 4.280 -0.354 19383 1037 1 4 . 1 1 544 544 ALA C C 544 175.014 175.014 177.450 -2.436 19383 1038 1 4 . 1 1 544 544 ALA CA C 544 54.262 54.262 53.797 0.466 19383 1039 1 4 . 1 1 544 544 ALA CB C 544 18.991 18.991 19.195 -0.204 19383 1040 1 4 . 1 1 544 544 ALA H H 544 7.910 7.910 8.222 -0.312 19383 1041 1 4 . 1 1 545 545 GLU N N 545 115.906 115.906 118.529 -2.623 19383 1042 1 4 . 1 1 545 545 GLU HA H 545 4.056 4.056 4.283 -0.227 19383 1043 1 4 . 1 1 545 545 GLU C C 545 176.541 176.541 177.122 -0.581 19383 1044 1 4 . 1 1 545 545 GLU CA C 545 56.978 56.978 56.184 0.794 19383 1045 1 4 . 1 1 545 545 GLU CB C 545 29.625 29.625 30.150 -0.525 19383 1046 1 4 . 1 1 545 545 GLU H H 545 7.866 7.866 8.355 -0.489 19383 1047 1 4 . 1 1 546 546 GLY N N 546 107.293 107.293 108.276 -0.983 19383 1048 1 4 . 1 1 546 546 GLY C C 546 180.358 180.358 174.059 6.299 19383 1049 1 4 . 1 1 546 546 GLY CA C 546 45.645 45.645 46.444 -0.799 19383 1050 1 4 . 1 1 546 546 GLY H H 546 8.019 8.019 8.547 -0.528 19383 1051 1 4 . 1 1 547 547 LEU N N 547 121.469 121.469 113.860 7.609 19383 1052 1 4 . 1 1 547 547 LEU HA H 547 4.147 4.147 4.326 -0.179 19383 1053 1 4 . 1 1 547 547 LEU C C 547 176.730 176.730 176.210 0.520 19383 1054 1 4 . 1 1 547 547 LEU CA C 547 55.851 55.851 55.986 -0.135 19383 1055 1 4 . 1 1 547 547 LEU CB C 547 42.514 42.514 41.613 0.901 19383 1056 1 4 . 1 1 547 547 LEU H H 547 7.892 7.892 7.192 0.700 19383 1057 1 4 . 1 1 548 548 MET N N 548 116.092 116.092 119.297 -3.205 19383 1058 1 4 . 1 1 548 548 MET HA H 548 4.218 4.218 4.635 -0.417 19383 1059 1 4 . 1 1 548 548 MET C C 548 177.832 177.832 177.169 0.663 19383 1060 1 4 . 1 1 548 548 MET CA C 548 55.861 55.861 55.149 0.712 19383 1061 1 4 . 1 1 548 548 MET CB C 548 32.338 32.338 32.530 -0.192 19383 1062 1 4 . 1 1 548 548 MET H H 548 7.995 7.995 8.086 -0.091 19383 1063 1 4 . 1 1 549 549 HIS N N 549 116.959 116.959 115.186 1.773 19383 1064 1 4 . 1 1 549 549 HIS HA H 549 4.577 4.577 4.561 0.016 19383 1065 1 4 . 1 1 549 549 HIS C C 549 179.852 179.852 175.076 4.776 19383 1066 1 4 . 1 1 549 549 HIS CA C 549 55.656 55.656 56.474 -0.818 19383 1067 1 4 . 1 1 549 549 HIS CB C 549 28.847 28.847 28.891 -0.044 19383 1068 1 4 . 1 1 549 549 HIS H H 549 8.074 8.074 8.288 -0.214 19383 1069 1 4 . 1 1 550 550 ASN N N 550 118.599 118.599 117.118 1.481 19383 1070 1 4 . 1 1 550 550 ASN HA H 550 4.611 4.611 4.482 0.129 19383 1071 1 4 . 1 1 550 550 ASN C C 550 178.753 178.753 175.593 3.160 19383 1072 1 4 . 1 1 550 550 ASN CA C 550 53.651 53.651 53.439 0.212 19383 1073 1 4 . 1 1 550 550 ASN CB C 550 38.884 38.884 39.884 -1.000 19383 1074 1 4 . 1 1 550 550 ASN H H 550 8.235 8.235 8.182 0.053 19383 1075 1 4 . 1 1 551 551 GLN N N 551 119.902 119.902 119.240 0.662 19383 1076 1 4 . 1 1 551 551 GLN HA H 551 4.203 4.203 4.180 0.023 19383 1077 1 4 . 1 1 551 551 GLN C C 551 178.390 178.390 175.742 2.648 19383 1078 1 4 . 1 1 551 551 GLN CA C 551 56.276 56.276 56.250 0.026 19383 1079 1 4 . 1 1 551 551 GLN CB C 551 28.931 28.931 26.841 2.090 19383 1080 1 4 . 1 1 551 551 GLN H H 551 8.359 8.359 7.608 0.751 19383 1081 1 4 . 1 1 552 552 ASP N N 552 119.524 119.524 117.648 1.876 19383 1082 1 4 . 1 1 552 552 ASP HA H 552 4.448 4.448 4.956 -0.508 19383 1083 1 4 . 1 1 552 552 ASP C C 552 177.522 177.522 177.090 0.432 19383 1084 1 4 . 1 1 552 552 ASP CA C 552 54.856 54.856 52.143 2.713 19383 1085 1 4 . 1 1 552 552 ASP CB C 552 40.814 40.814 41.103 -0.289 19383 1086 1 4 . 1 1 552 552 ASP H H 552 8.190 8.190 8.691 -0.501 19383 1087 1 4 . 1 1 553 553 GLY N N 553 108.043 108.043 107.211 0.832 19383 1088 1 4 . 1 1 553 553 GLY C C 553 179.757 179.757 175.365 4.392 19383 1089 1 4 . 1 1 553 553 GLY CA C 553 45.626 45.626 45.445 0.181 19383 1090 1 4 . 1 1 553 553 GLY H H 553 8.130 8.130 8.138 -0.008 19383 1091 1 4 . 1 1 554 554 LEU N N 554 121.485 121.485 121.960 -0.475 19383 1092 1 4 . 1 1 554 554 LEU HA H 554 4.168 4.168 4.135 0.033 19383 1093 1 4 . 1 1 554 554 LEU C C 554 176.732 176.732 177.981 -1.249 19383 1094 1 4 . 1 1 554 554 LEU CA C 554 56.145 56.145 57.958 -1.813 19383 1095 1 4 . 1 1 554 554 LEU CB C 554 42.513 42.513 42.082 0.431 19383 1096 1 4 . 1 1 554 554 LEU H H 554 8.081 8.081 7.482 0.599 19383 1097 1 4 . 1 1 555 555 ILE N N 555 117.390 117.390 118.679 -1.289 19383 1098 1 4 . 1 1 555 555 ILE HA H 555 3.954 3.954 4.203 -0.249 19383 1099 1 4 . 1 1 555 555 ILE C C 555 178.242 178.242 176.200 2.042 19383 1100 1 4 . 1 1 555 555 ILE CA C 555 61.929 61.929 58.480 3.449 19383 1101 1 4 . 1 1 555 555 ILE CB C 555 38.317 38.317 34.704 3.613 19383 1102 1 4 . 1 1 555 555 ILE H H 555 7.976 7.976 7.872 0.104 19383 1103 1 4 . 1 1 556 556 CYS N N 556 119.495 119.495 122.607 -3.112 19383 1104 1 4 . 1 1 556 556 CYS HA H 556 4.411 4.411 4.115 0.296 19383 1105 1 4 . 1 1 556 556 CYS C C 556 178.872 178.872 177.024 1.848 19383 1106 1 4 . 1 1 556 556 CYS CA C 556 56.233 56.233 62.738 -6.505 19383 1107 1 4 . 1 1 556 556 CYS CB C 556 41.438 41.438 26.686 14.752 19383 1108 1 4 . 1 1 556 556 CYS H H 556 8.214 8.214 7.986 0.228 19383 1109 1 4 . 1 1 557 557 GLY N N 557 108.419 108.419 108.508 -0.089 19383 1110 1 4 . 1 1 557 557 GLY C C 557 180.393 180.393 175.951 4.442 19383 1111 1 4 . 1 1 557 557 GLY CA C 557 45.701 45.701 47.183 -1.482 19383 1112 1 4 . 1 1 557 557 GLY H H 557 8.141 8.141 8.491 -0.350 19383 1113 1 4 . 1 1 558 558 LEU N N 558 120.318 120.318 118.747 1.571 19383 1114 1 4 . 1 1 558 558 LEU HA H 558 4.237 4.237 4.137 0.100 19383 1115 1 4 . 1 1 558 558 LEU C C 558 177.398 177.398 177.407 -0.009 19383 1116 1 4 . 1 1 558 558 LEU CA C 558 55.730 55.730 56.587 -0.857 19383 1117 1 4 . 1 1 558 558 LEU CB C 558 42.585 42.585 41.621 0.964 19383 1118 1 4 . 1 1 558 558 LEU H H 558 7.837 7.837 7.625 0.212 19383 1119 1 4 . 1 1 559 559 ARG N N 559 119.828 119.828 116.620 3.208 19383 1120 1 4 . 1 1 559 559 ARG HA H 559 4.245 4.245 3.957 0.288 19383 1121 1 4 . 1 1 559 559 ARG C C 559 179.052 179.052 175.768 3.284 19383 1122 1 4 . 1 1 559 559 ARG CA C 559 55.773 55.773 57.016 -1.243 19383 1123 1 4 . 1 1 559 559 ARG CB C 559 31.191 31.191 29.519 1.672 19383 1124 1 4 . 1 1 559 559 ARG H H 559 8.007 8.007 7.798 0.209 19383 1125 1 5 . 1 1 508 508 GLN N N 508 120.721 120.721 121.666 -0.945 19383 1126 1 5 . 1 1 508 508 GLN HA H 508 4.607 4.607 4.641 -0.034 19383 1127 1 5 . 1 1 508 508 GLN CA C 508 53.627 53.627 54.687 -1.060 19383 1128 1 5 . 1 1 508 508 GLN CB C 508 28.849 28.849 30.060 -1.211 19383 1129 1 5 . 1 1 508 508 GLN H H 508 8.575 8.575 8.494 0.081 19383 1130 1 5 . 1 1 509 509 PRO HA H 509 4.329 4.329 4.622 -0.293 19383 1131 1 5 . 1 1 509 509 PRO C C 509 177.740 177.740 176.420 1.320 19383 1132 1 5 . 1 1 509 509 PRO CA C 509 63.094 63.094 62.383 0.711 19383 1133 1 5 . 1 1 509 509 PRO CB C 509 32.083 32.083 30.848 1.235 19383 1134 1 5 . 1 1 510 510 LYS N N 510 121.228 121.228 120.707 0.521 19383 1135 1 5 . 1 1 510 510 LYS HA H 510 4.233 4.233 3.840 0.393 19383 1136 1 5 . 1 1 510 510 LYS C C 510 177.951 177.951 176.016 1.935 19383 1137 1 5 . 1 1 510 510 LYS CA C 510 55.910 55.910 57.677 -1.767 19383 1138 1 5 . 1 1 510 510 LYS CB C 510 32.985 32.985 30.951 2.034 19383 1139 1 5 . 1 1 510 510 LYS H H 510 8.330 8.330 7.873 0.457 19383 1140 1 5 . 1 1 511 511 CYS N N 511 119.374 119.374 119.531 -0.157 19383 1141 1 5 . 1 1 511 511 CYS HA H 511 4.562 4.562 4.602 -0.040 19383 1142 1 5 . 1 1 511 511 CYS C C 511 180.885 180.885 173.814 7.071 19383 1143 1 5 . 1 1 511 511 CYS CA C 511 55.085 55.085 59.757 -4.672 19383 1144 1 5 . 1 1 511 511 CYS CB C 511 41.809 41.809 25.569 16.241 19383 1145 1 5 . 1 1 511 511 CYS H H 511 8.284 8.284 8.538 -0.254 19383 1146 1 5 . 1 1 512 512 ASN N N 512 122.292 122.292 120.035 2.257 19383 1147 1 5 . 1 1 512 512 ASN HA H 512 4.898 4.898 4.978 -0.080 19383 1148 1 5 . 1 1 512 512 ASN CA C 512 50.921 50.921 52.000 -1.079 19383 1149 1 5 . 1 1 512 512 ASN CB C 512 39.105 39.105 40.054 -0.949 19383 1150 1 5 . 1 1 512 512 ASN H H 512 8.614 8.614 8.224 0.390 19383 1151 1 5 . 1 1 513 513 PRO HA H 513 4.294 4.294 4.745 -0.451 19383 1152 1 5 . 1 1 513 513 PRO C C 513 177.920 177.920 177.181 0.739 19383 1153 1 5 . 1 1 513 513 PRO CA C 513 63.373 63.373 63.958 -0.585 19383 1154 1 5 . 1 1 513 513 PRO CB C 513 31.880 31.880 32.183 -0.303 19383 1155 1 5 . 1 1 514 514 ASN N N 514 117.476 117.476 115.822 1.654 19383 1156 1 5 . 1 1 514 514 ASN HA H 514 4.557 4.557 4.612 -0.055 19383 1157 1 5 . 1 1 514 514 ASN C C 514 179.369 179.369 176.081 3.288 19383 1158 1 5 . 1 1 514 514 ASN CA C 514 53.454 53.454 54.956 -1.502 19383 1159 1 5 . 1 1 514 514 ASN CB C 514 38.954 38.954 38.638 0.316 19383 1160 1 5 . 1 1 514 514 ASN H H 514 8.285 8.285 8.494 -0.209 19383 1161 1 5 . 1 1 515 515 LEU N N 515 121.054 121.054 118.406 2.648 19383 1162 1 5 . 1 1 515 515 LEU HA H 515 4.154 4.154 4.578 -0.424 19383 1163 1 5 . 1 1 515 515 LEU C C 515 177.719 177.719 175.835 1.884 19383 1164 1 5 . 1 1 515 515 LEU CA C 515 55.268 55.268 54.343 0.926 19383 1165 1 5 . 1 1 515 515 LEU CB C 515 42.079 42.079 40.042 2.037 19383 1166 1 5 . 1 1 515 515 LEU H H 515 7.770 7.770 7.459 0.311 19383 1167 1 5 . 1 1 516 516 HIS N N 516 117.461 117.461 119.048 -1.587 19383 1168 1 5 . 1 1 516 516 HIS HA H 516 4.451 4.451 4.479 -0.028 19383 1169 1 5 . 1 1 516 516 HIS C C 516 179.871 179.871 175.514 4.357 19383 1170 1 5 . 1 1 516 516 HIS CA C 516 55.414 55.414 56.726 -1.312 19383 1171 1 5 . 1 1 516 516 HIS CB C 516 28.867 28.867 29.893 -1.026 19383 1172 1 5 . 1 1 516 516 HIS H H 516 8.126 8.126 7.445 0.681 19383 1173 1 5 . 1 1 517 517 TYR N N 517 120.302 120.302 118.292 2.010 19383 1174 1 5 . 1 1 517 517 TYR HA H 517 4.222 4.222 4.193 0.029 19383 1175 1 5 . 1 1 517 517 TYR C C 517 178.883 178.883 176.248 2.635 19383 1176 1 5 . 1 1 517 517 TYR CA C 517 59.410 59.410 59.394 0.016 19383 1177 1 5 . 1 1 517 517 TYR CB C 517 38.843 38.843 38.075 0.768 19383 1178 1 5 . 1 1 517 517 TYR H H 517 8.101 8.101 7.540 0.561 19383 1179 1 5 . 1 1 518 518 TRP N N 518 118.660 118.660 117.085 1.575 19383 1180 1 5 . 1 1 518 518 TRP HA H 518 4.569 4.569 5.099 -0.530 19383 1181 1 5 . 1 1 518 518 TRP C C 518 178.468 178.468 176.871 1.597 19383 1182 1 5 . 1 1 518 518 TRP CA C 518 57.501 57.501 57.255 0.246 19383 1183 1 5 . 1 1 518 518 TRP CB C 518 29.619 29.619 31.814 -2.195 19383 1184 1 5 . 1 1 518 518 TRP H H 518 7.665 7.665 7.986 -0.321 19383 1185 1 5 . 1 1 519 519 THR N N 519 112.373 112.373 111.438 0.935 19383 1186 1 5 . 1 1 519 519 THR HA H 519 4.351 4.351 3.778 0.573 19383 1187 1 5 . 1 1 519 519 THR C C 519 179.594 179.594 175.264 4.330 19383 1188 1 5 . 1 1 519 519 THR CA C 519 61.654 61.654 64.861 -3.207 19383 1189 1 5 . 1 1 519 519 THR CB C 519 69.859 69.859 67.660 2.199 19383 1190 1 5 . 1 1 519 519 THR H H 519 7.894 7.894 7.799 0.095 19383 1191 1 5 . 1 1 520 520 THR N N 520 114.438 114.438 116.658 -2.220 19383 1192 1 5 . 1 1 520 520 THR HA H 520 4.256 4.256 4.399 -0.143 19383 1193 1 5 . 1 1 520 520 THR C C 520 179.419 179.419 176.096 3.323 19383 1194 1 5 . 1 1 520 520 THR CA C 520 62.019 62.019 64.315 -2.296 19383 1195 1 5 . 1 1 520 520 THR CB C 520 69.709 69.709 69.181 0.528 19383 1196 1 5 . 1 1 520 520 THR H H 520 7.957 7.957 8.664 -0.707 19383 1197 1 5 . 1 1 521 521 GLN N N 521 121.453 121.453 121.249 0.204 19383 1198 1 5 . 1 1 521 521 GLN HA H 521 4.175 4.175 4.200 -0.025 19383 1199 1 5 . 1 1 521 521 GLN C C 521 178.345 178.345 176.637 1.708 19383 1200 1 5 . 1 1 521 521 GLN CA C 521 56.302 56.302 59.057 -2.755 19383 1201 1 5 . 1 1 521 521 GLN CB C 521 29.118 29.118 28.911 0.207 19383 1202 1 5 . 1 1 521 521 GLN H H 521 8.224 8.224 8.403 -0.179 19383 1203 1 5 . 1 1 522 522 ASP N N 522 120.227 120.227 117.601 2.626 19383 1204 1 5 . 1 1 522 522 ASP HA H 522 4.461 4.461 4.746 -0.285 19383 1205 1 5 . 1 1 522 522 ASP C C 522 177.838 177.838 177.423 0.415 19383 1206 1 5 . 1 1 522 522 ASP CA C 522 54.741 54.741 55.250 -0.509 19383 1207 1 5 . 1 1 522 522 ASP CB C 522 40.847 40.847 41.241 -0.394 19383 1208 1 5 . 1 1 522 522 ASP H H 522 8.155 8.155 7.759 0.396 19383 1209 1 5 . 1 1 523 523 GLU N N 523 120.511 120.511 119.119 1.392 19383 1210 1 5 . 1 1 523 523 GLU HA H 523 4.102 4.102 4.291 -0.189 19383 1211 1 5 . 1 1 523 523 GLU C C 523 177.165 177.165 177.355 -0.190 19383 1212 1 5 . 1 1 523 523 GLU CA C 523 57.161 57.161 58.143 -0.982 19383 1213 1 5 . 1 1 523 523 GLU CB C 523 29.153 29.153 29.403 -0.250 19383 1214 1 5 . 1 1 523 523 GLU H H 523 8.250 8.250 7.873 0.377 19383 1215 1 5 . 1 1 524 524 GLY N N 524 108.395 108.395 105.367 3.028 19383 1216 1 5 . 1 1 524 524 GLY C C 524 179.999 179.999 173.709 6.290 19383 1217 1 5 . 1 1 524 524 GLY CA C 524 45.791 45.791 44.774 1.017 19383 1218 1 5 . 1 1 524 524 GLY H H 524 8.308 8.308 7.729 0.579 19383 1219 1 5 . 1 1 525 525 ALA N N 525 123.026 123.026 123.674 -0.648 19383 1220 1 5 . 1 1 525 525 ALA HA H 525 4.139 4.139 4.385 -0.246 19383 1221 1 5 . 1 1 525 525 ALA C C 525 176.642 176.642 177.299 -0.657 19383 1222 1 5 . 1 1 525 525 ALA CA C 525 52.706 52.706 52.797 -0.091 19383 1223 1 5 . 1 1 525 525 ALA CB C 525 19.148 19.148 20.279 -1.131 19383 1224 1 5 . 1 1 525 525 ALA H H 525 7.884 7.884 7.751 0.133 19383 1225 1 5 . 1 1 526 526 ALA N N 526 121.593 121.593 121.978 -0.385 19383 1226 1 5 . 1 1 526 526 ALA HA H 526 4.164 4.164 4.741 -0.577 19383 1227 1 5 . 1 1 526 526 ALA C C 526 176.320 176.320 176.770 -0.450 19383 1228 1 5 . 1 1 526 526 ALA CA C 526 52.788 52.788 52.176 0.612 19383 1229 1 5 . 1 1 526 526 ALA CB C 526 19.055 19.055 19.934 -0.879 19383 1230 1 5 . 1 1 526 526 ALA H H 526 8.027 8.027 7.941 0.086 19383 1231 1 5 . 1 1 527 527 ILE N N 527 117.907 117.907 114.233 3.674 19383 1232 1 5 . 1 1 527 527 ILE HA H 527 3.874 3.874 4.177 -0.303 19383 1233 1 5 . 1 1 527 527 ILE C C 527 177.983 177.983 177.277 0.706 19383 1234 1 5 . 1 1 527 527 ILE CA C 527 61.894 61.894 60.554 1.340 19383 1235 1 5 . 1 1 527 527 ILE CB C 527 38.485 38.485 37.526 0.959 19383 1236 1 5 . 1 1 527 527 ILE H H 527 7.913 7.913 7.780 0.133 19383 1237 1 5 . 1 1 528 528 GLY N N 528 109.328 109.328 109.414 -0.086 19383 1238 1 5 . 1 1 528 528 GLY C C 528 180.040 180.040 175.371 4.669 19383 1239 1 5 . 1 1 528 528 GLY CA C 528 45.877 45.877 47.176 -1.299 19383 1240 1 5 . 1 1 528 528 GLY H H 528 8.045 8.045 8.686 -0.641 19383 1241 1 5 . 1 1 529 529 LEU N N 529 119.297 119.297 116.255 3.042 19383 1242 1 5 . 1 1 529 529 LEU HA H 529 4.076 4.076 4.646 -0.570 19383 1243 1 5 . 1 1 529 529 LEU C C 529 177.413 177.413 177.316 0.097 19383 1244 1 5 . 1 1 529 529 LEU CA C 529 55.759 55.759 55.386 0.373 19383 1245 1 5 . 1 1 529 529 LEU CB C 529 42.321 42.321 42.105 0.216 19383 1246 1 5 . 1 1 529 529 LEU H H 529 8.083 8.083 7.478 0.605 19383 1247 1 5 . 1 1 530 530 ALA N N 530 120.355 120.355 119.202 1.153 19383 1248 1 5 . 1 1 530 530 ALA HA H 530 4.035 4.035 4.438 -0.403 19383 1249 1 5 . 1 1 530 530 ALA C C 530 177.142 177.142 178.104 -0.962 19383 1250 1 5 . 1 1 530 530 ALA CA C 530 53.814 53.814 51.845 1.969 19383 1251 1 5 . 1 1 530 530 ALA CB C 530 18.780 18.780 19.543 -0.763 19383 1252 1 5 . 1 1 530 530 ALA H H 530 8.015 8.015 7.373 0.642 19383 1253 1 5 . 1 1 531 531 TRP N N 531 114.575 114.575 123.031 -8.456 19383 1254 1 5 . 1 1 531 531 TRP HA H 531 4.589 4.589 4.580 0.009 19383 1255 1 5 . 1 1 531 531 TRP C C 531 177.968 177.968 174.772 3.196 19383 1256 1 5 . 1 1 531 531 TRP CA C 531 56.378 56.378 58.167 -1.790 19383 1257 1 5 . 1 1 531 531 TRP CB C 531 29.409 29.409 28.829 0.580 19383 1258 1 5 . 1 1 531 531 TRP H H 531 7.398 7.398 8.346 -0.948 19383 1259 1 5 . 1 1 532 532 ILE N N 532 121.501 121.501 113.331 8.170 19383 1260 1 5 . 1 1 532 532 ILE HA H 532 3.768 3.768 4.384 -0.616 19383 1261 1 5 . 1 1 532 532 ILE CA C 532 63.813 63.813 57.707 6.106 19383 1262 1 5 . 1 1 532 532 ILE H H 532 7.197 7.197 7.541 -0.344 19383 1263 1 5 . 1 1 533 533 PRO HA H 533 4.169 4.169 4.353 -0.184 19383 1264 1 5 . 1 1 533 533 PRO CA C 533 64.431 64.431 63.749 0.682 19383 1265 1 5 . 1 1 533 533 PRO CB C 533 32.238 32.238 30.728 1.510 19383 1266 1 5 . 1 1 534 534 TYR HA H 534 4.086 4.086 4.371 -0.285 19383 1267 1 5 . 1 1 534 534 TYR CA C 534 60.819 60.819 60.003 0.816 19383 1268 1 5 . 1 1 534 534 TYR CB C 534 38.437 38.437 39.019 -0.582 19383 1269 1 5 . 1 1 534 534 TYR H H 534 8.066 8.066 8.018 0.048 19383 1270 1 5 . 1 1 535 535 PHE HA H 535 4.316 4.316 4.365 -0.049 19383 1271 1 5 . 1 1 535 535 PHE C C 535 175.669 175.669 176.447 -0.778 19383 1272 1 5 . 1 1 535 535 PHE CA C 535 58.885 58.885 59.972 -1.087 19383 1273 1 5 . 1 1 535 535 PHE CB C 535 40.304 40.304 39.450 0.854 19383 1274 1 5 . 1 1 535 535 PHE H H 535 8.123 8.123 8.531 -0.408 19383 1275 1 5 . 1 1 536 536 GLY N N 536 107.103 107.103 105.882 1.221 19383 1276 1 5 . 1 1 536 536 GLY CA C 536 46.510 46.510 44.834 1.676 19383 1277 1 5 . 1 1 536 536 GLY H H 536 8.031 8.031 8.013 0.018 19383 1278 1 5 . 1 1 537 537 PRO HA H 537 4.210 4.210 4.517 -0.307 19383 1279 1 5 . 1 1 537 537 PRO C C 537 175.183 175.183 176.672 -1.489 19383 1280 1 5 . 1 1 537 537 PRO CA C 537 64.563 64.563 62.630 1.933 19383 1281 1 5 . 1 1 537 537 PRO CB C 537 31.618 31.618 32.023 -0.405 19383 1282 1 5 . 1 1 538 538 ALA N N 538 120.228 120.228 121.729 -1.501 19383 1283 1 5 . 1 1 538 538 ALA HA H 538 4.095 4.095 4.049 0.046 19383 1284 1 5 . 1 1 538 538 ALA C C 538 175.268 175.268 179.291 -4.023 19383 1285 1 5 . 1 1 538 538 ALA CA C 538 54.373 54.373 54.558 -0.185 19383 1286 1 5 . 1 1 538 538 ALA CB C 538 18.694 18.694 18.524 0.170 19383 1287 1 5 . 1 1 538 538 ALA H H 538 7.799 7.799 8.224 -0.425 19383 1288 1 5 . 1 1 539 539 ALA N N 539 120.412 120.412 119.180 1.232 19383 1289 1 5 . 1 1 539 539 ALA HA H 539 3.883 3.883 4.125 -0.242 19383 1290 1 5 . 1 1 539 539 ALA C C 539 175.516 175.516 179.711 -4.195 19383 1291 1 5 . 1 1 539 539 ALA CA C 539 54.526 54.526 54.631 -0.105 19383 1292 1 5 . 1 1 539 539 ALA CB C 539 18.780 18.780 16.981 1.799 19383 1293 1 5 . 1 1 539 539 ALA H H 539 8.208 8.208 8.421 -0.213 19383 1294 1 5 . 1 1 540 540 GLU N N 540 116.209 116.209 119.444 -3.235 19383 1295 1 5 . 1 1 540 540 GLU HA H 540 3.933 3.933 4.115 -0.182 19383 1296 1 5 . 1 1 540 540 GLU C C 540 176.525 176.525 177.272 -0.747 19383 1297 1 5 . 1 1 540 540 GLU CA C 540 58.522 58.522 59.132 -0.610 19383 1298 1 5 . 1 1 540 540 GLU CB C 540 28.907 28.907 29.481 -0.574 19383 1299 1 5 . 1 1 540 540 GLU H H 540 8.162 8.162 8.769 -0.607 19383 1300 1 5 . 1 1 541 541 GLY N N 541 107.297 107.297 104.345 2.952 19383 1301 1 5 . 1 1 541 541 GLY C C 541 178.784 178.784 174.957 3.827 19383 1302 1 5 . 1 1 541 541 GLY CA C 541 45.692 45.692 45.100 0.592 19383 1303 1 5 . 1 1 541 541 GLY H H 541 8.033 8.033 8.443 -0.410 19383 1304 1 5 . 1 1 542 542 ILE N N 542 121.066 121.066 118.165 2.901 19383 1305 1 5 . 1 1 542 542 ILE HA H 542 3.765 3.765 3.275 0.490 19383 1306 1 5 . 1 1 542 542 ILE C C 542 176.804 176.804 176.162 0.642 19383 1307 1 5 . 1 1 542 542 ILE CA C 542 63.871 63.871 62.537 1.334 19383 1308 1 5 . 1 1 542 542 ILE CB C 542 38.075 38.075 37.395 0.680 19383 1309 1 5 . 1 1 542 542 ILE H H 542 7.870 7.870 7.563 0.307 19383 1310 1 5 . 1 1 543 543 TYR N N 543 120.347 120.347 119.110 1.237 19383 1311 1 5 . 1 1 543 543 TYR HA H 543 4.144 4.144 4.512 -0.368 19383 1312 1 5 . 1 1 543 543 TYR C C 543 179.780 179.780 176.166 3.614 19383 1313 1 5 . 1 1 543 543 TYR CA C 543 60.629 60.629 59.097 1.532 19383 1314 1 5 . 1 1 543 543 TYR CB C 543 38.425 38.425 39.612 -1.187 19383 1315 1 5 . 1 1 543 543 TYR H H 543 8.066 8.066 8.215 -0.149 19383 1316 1 5 . 1 1 544 544 ALA N N 544 119.787 119.787 121.615 -1.828 19383 1317 1 5 . 1 1 544 544 ALA HA H 544 3.926 3.926 4.474 -0.548 19383 1318 1 5 . 1 1 544 544 ALA C C 544 175.014 175.014 177.388 -2.374 19383 1319 1 5 . 1 1 544 544 ALA CA C 544 54.262 54.262 53.097 1.165 19383 1320 1 5 . 1 1 544 544 ALA CB C 544 18.991 18.991 20.237 -1.246 19383 1321 1 5 . 1 1 544 544 ALA H H 544 7.910 7.910 7.687 0.223 19383 1322 1 5 . 1 1 545 545 GLU N N 545 115.906 115.906 118.071 -2.165 19383 1323 1 5 . 1 1 545 545 GLU HA H 545 4.056 4.056 4.420 -0.364 19383 1324 1 5 . 1 1 545 545 GLU C C 545 176.541 176.541 178.049 -1.508 19383 1325 1 5 . 1 1 545 545 GLU CA C 545 56.978 56.978 56.310 0.668 19383 1326 1 5 . 1 1 545 545 GLU CB C 545 29.625 29.625 32.353 -2.728 19383 1327 1 5 . 1 1 545 545 GLU H H 545 7.866 7.866 8.163 -0.297 19383 1328 1 5 . 1 1 546 546 GLY N N 546 107.293 107.293 109.014 -1.721 19383 1329 1 5 . 1 1 546 546 GLY C C 546 180.358 180.358 174.208 6.150 19383 1330 1 5 . 1 1 546 546 GLY CA C 546 45.645 45.645 46.852 -1.207 19383 1331 1 5 . 1 1 546 546 GLY H H 546 8.019 8.019 8.368 -0.349 19383 1332 1 5 . 1 1 547 547 LEU N N 547 121.469 121.469 114.001 7.468 19383 1333 1 5 . 1 1 547 547 LEU HA H 547 4.147 4.147 4.581 -0.434 19383 1334 1 5 . 1 1 547 547 LEU C C 547 176.730 176.730 176.114 0.616 19383 1335 1 5 . 1 1 547 547 LEU CA C 547 55.851 55.851 56.395 -0.544 19383 1336 1 5 . 1 1 547 547 LEU CB C 547 42.514 42.514 41.873 0.640 19383 1337 1 5 . 1 1 547 547 LEU H H 547 7.892 7.892 7.840 0.052 19383 1338 1 5 . 1 1 548 548 MET N N 548 116.092 116.092 119.157 -3.065 19383 1339 1 5 . 1 1 548 548 MET HA H 548 4.218 4.218 4.583 -0.365 19383 1340 1 5 . 1 1 548 548 MET C C 548 177.832 177.832 177.368 0.464 19383 1341 1 5 . 1 1 548 548 MET CA C 548 55.861 55.861 55.043 0.818 19383 1342 1 5 . 1 1 548 548 MET CB C 548 32.338 32.338 32.732 -0.394 19383 1343 1 5 . 1 1 548 548 MET H H 548 7.995 7.995 8.476 -0.481 19383 1344 1 5 . 1 1 549 549 HIS N N 549 116.959 116.959 116.808 0.151 19383 1345 1 5 . 1 1 549 549 HIS HA H 549 4.577 4.577 4.690 -0.113 19383 1346 1 5 . 1 1 549 549 HIS C C 549 179.852 179.852 175.712 4.140 19383 1347 1 5 . 1 1 549 549 HIS CA C 549 55.656 55.656 57.386 -1.730 19383 1348 1 5 . 1 1 549 549 HIS CB C 549 28.847 28.847 28.841 0.006 19383 1349 1 5 . 1 1 549 549 HIS H H 549 8.074 8.074 8.663 -0.589 19383 1350 1 5 . 1 1 550 550 ASN N N 550 118.599 118.599 116.183 2.416 19383 1351 1 5 . 1 1 550 550 ASN HA H 550 4.611 4.611 4.579 0.032 19383 1352 1 5 . 1 1 550 550 ASN C C 550 178.753 178.753 175.259 3.494 19383 1353 1 5 . 1 1 550 550 ASN CA C 550 53.651 53.651 53.925 -0.274 19383 1354 1 5 . 1 1 550 550 ASN CB C 550 38.884 38.884 39.486 -0.602 19383 1355 1 5 . 1 1 550 550 ASN H H 550 8.235 8.235 7.893 0.342 19383 1356 1 5 . 1 1 551 551 GLN N N 551 119.902 119.902 120.119 -0.217 19383 1357 1 5 . 1 1 551 551 GLN HA H 551 4.203 4.203 4.220 -0.017 19383 1358 1 5 . 1 1 551 551 GLN C C 551 178.390 178.390 175.201 3.189 19383 1359 1 5 . 1 1 551 551 GLN CA C 551 56.276 56.276 55.985 0.291 19383 1360 1 5 . 1 1 551 551 GLN CB C 551 28.931 28.931 26.750 2.181 19383 1361 1 5 . 1 1 551 551 GLN H H 551 8.359 8.359 7.555 0.804 19383 1362 1 5 . 1 1 552 552 ASP N N 552 119.524 119.524 117.879 1.645 19383 1363 1 5 . 1 1 552 552 ASP HA H 552 4.448 4.448 4.901 -0.453 19383 1364 1 5 . 1 1 552 552 ASP C C 552 177.522 177.522 177.344 0.178 19383 1365 1 5 . 1 1 552 552 ASP CA C 552 54.856 54.856 52.466 2.390 19383 1366 1 5 . 1 1 552 552 ASP CB C 552 40.814 40.814 40.680 0.134 19383 1367 1 5 . 1 1 552 552 ASP H H 552 8.190 8.190 8.705 -0.515 19383 1368 1 5 . 1 1 553 553 GLY N N 553 108.043 108.043 107.300 0.743 19383 1369 1 5 . 1 1 553 553 GLY C C 553 179.757 179.757 175.531 4.226 19383 1370 1 5 . 1 1 553 553 GLY CA C 553 45.626 45.626 45.447 0.179 19383 1371 1 5 . 1 1 553 553 GLY H H 553 8.130 8.130 8.081 0.049 19383 1372 1 5 . 1 1 554 554 LEU N N 554 121.485 121.485 122.857 -1.372 19383 1373 1 5 . 1 1 554 554 LEU HA H 554 4.168 4.168 4.117 0.051 19383 1374 1 5 . 1 1 554 554 LEU C C 554 176.732 176.732 177.757 -1.025 19383 1375 1 5 . 1 1 554 554 LEU CA C 554 56.145 56.145 57.949 -1.804 19383 1376 1 5 . 1 1 554 554 LEU CB C 554 42.513 42.513 41.964 0.549 19383 1377 1 5 . 1 1 554 554 LEU H H 554 8.081 8.081 7.354 0.727 19383 1378 1 5 . 1 1 555 555 ILE N N 555 117.390 117.390 118.581 -1.191 19383 1379 1 5 . 1 1 555 555 ILE HA H 555 3.954 3.954 4.048 -0.094 19383 1380 1 5 . 1 1 555 555 ILE C C 555 178.242 178.242 176.478 1.764 19383 1381 1 5 . 1 1 555 555 ILE CA C 555 61.929 61.929 59.009 2.920 19383 1382 1 5 . 1 1 555 555 ILE CB C 555 38.317 38.317 34.549 3.768 19383 1383 1 5 . 1 1 555 555 ILE H H 555 7.976 7.976 7.756 0.220 19383 1384 1 5 . 1 1 556 556 CYS N N 556 119.495 119.495 123.264 -3.769 19383 1385 1 5 . 1 1 556 556 CYS HA H 556 4.411 4.411 4.370 0.041 19383 1386 1 5 . 1 1 556 556 CYS C C 556 178.872 178.872 176.786 2.086 19383 1387 1 5 . 1 1 556 556 CYS CA C 556 56.233 56.233 60.596 -4.363 19383 1388 1 5 . 1 1 556 556 CYS CB C 556 41.438 41.438 26.452 14.986 19383 1389 1 5 . 1 1 556 556 CYS H H 556 8.214 8.214 8.535 -0.321 19383 1390 1 5 . 1 1 557 557 GLY N N 557 108.419 108.419 108.484 -0.065 19383 1391 1 5 . 1 1 557 557 GLY C C 557 180.393 180.393 175.774 4.619 19383 1392 1 5 . 1 1 557 557 GLY CA C 557 45.701 45.701 46.840 -1.139 19383 1393 1 5 . 1 1 557 557 GLY H H 557 8.141 8.141 8.768 -0.627 19383 1394 1 5 . 1 1 558 558 LEU N N 558 120.318 120.318 118.711 1.607 19383 1395 1 5 . 1 1 558 558 LEU HA H 558 4.237 4.237 4.306 -0.069 19383 1396 1 5 . 1 1 558 558 LEU C C 558 177.398 177.398 177.236 0.162 19383 1397 1 5 . 1 1 558 558 LEU CA C 558 55.730 55.730 55.123 0.607 19383 1398 1 5 . 1 1 558 558 LEU CB C 558 42.585 42.585 41.413 1.172 19383 1399 1 5 . 1 1 558 558 LEU H H 558 7.837 7.837 7.391 0.446 19383 1400 1 5 . 1 1 559 559 ARG N N 559 119.828 119.828 120.374 -0.546 19383 1401 1 5 . 1 1 559 559 ARG HA H 559 4.245 4.245 4.068 0.177 19383 1402 1 5 . 1 1 559 559 ARG C C 559 179.052 179.052 175.938 3.114 19383 1403 1 5 . 1 1 559 559 ARG CA C 559 55.773 55.773 56.570 -0.797 19383 1404 1 5 . 1 1 559 559 ARG CB C 559 31.191 31.191 29.784 1.407 19383 1405 1 5 . 1 1 559 559 ARG H H 559 8.007 8.007 7.530 0.477 19383 1406 1 6 . 1 1 508 508 GLN N N 508 120.721 120.721 120.509 0.212 19383 1407 1 6 . 1 1 508 508 GLN HA H 508 4.607 4.607 4.760 -0.153 19383 1408 1 6 . 1 1 508 508 GLN CA C 508 53.627 53.627 54.516 -0.889 19383 1409 1 6 . 1 1 508 508 GLN CB C 508 28.849 28.849 28.926 -0.077 19383 1410 1 6 . 1 1 508 508 GLN H H 508 8.575 8.575 8.599 -0.024 19383 1411 1 6 . 1 1 509 509 PRO HA H 509 4.329 4.329 4.435 -0.106 19383 1412 1 6 . 1 1 509 509 PRO C C 509 177.740 177.740 177.333 0.407 19383 1413 1 6 . 1 1 509 509 PRO CA C 509 63.094 63.094 64.017 -0.923 19383 1414 1 6 . 1 1 509 509 PRO CB C 509 32.083 32.083 32.790 -0.707 19383 1415 1 6 . 1 1 510 510 LYS N N 510 121.228 121.228 113.714 7.514 19383 1416 1 6 . 1 1 510 510 LYS HA H 510 4.233 4.233 4.274 -0.041 19383 1417 1 6 . 1 1 510 510 LYS C C 510 177.951 177.951 175.548 2.403 19383 1418 1 6 . 1 1 510 510 LYS CA C 510 55.910 55.910 56.501 -0.591 19383 1419 1 6 . 1 1 510 510 LYS CB C 510 32.985 32.985 32.455 0.530 19383 1420 1 6 . 1 1 510 510 LYS H H 510 8.330 8.330 8.404 -0.074 19383 1421 1 6 . 1 1 511 511 CYS N N 511 119.374 119.374 119.737 -0.363 19383 1422 1 6 . 1 1 511 511 CYS HA H 511 4.562 4.562 4.406 0.156 19383 1423 1 6 . 1 1 511 511 CYS C C 511 180.885 180.885 174.127 6.758 19383 1424 1 6 . 1 1 511 511 CYS CA C 511 55.085 55.085 59.848 -4.763 19383 1425 1 6 . 1 1 511 511 CYS CB C 511 41.809 41.809 25.103 16.706 19383 1426 1 6 . 1 1 511 511 CYS H H 511 8.284 8.284 8.464 -0.180 19383 1427 1 6 . 1 1 512 512 ASN N N 512 122.292 122.292 120.896 1.396 19383 1428 1 6 . 1 1 512 512 ASN HA H 512 4.898 4.898 5.061 -0.163 19383 1429 1 6 . 1 1 512 512 ASN CA C 512 50.921 50.921 51.361 -0.440 19383 1430 1 6 . 1 1 512 512 ASN CB C 512 39.105 39.105 39.763 -0.658 19383 1431 1 6 . 1 1 512 512 ASN H H 512 8.614 8.614 8.410 0.204 19383 1432 1 6 . 1 1 513 513 PRO HA H 513 4.294 4.294 4.634 -0.340 19383 1433 1 6 . 1 1 513 513 PRO C C 513 177.920 177.920 176.876 1.044 19383 1434 1 6 . 1 1 513 513 PRO CA C 513 63.373 63.373 64.307 -0.934 19383 1435 1 6 . 1 1 513 513 PRO CB C 513 31.880 31.880 31.909 -0.029 19383 1436 1 6 . 1 1 514 514 ASN N N 514 117.476 117.476 115.875 1.601 19383 1437 1 6 . 1 1 514 514 ASN HA H 514 4.557 4.557 4.530 0.027 19383 1438 1 6 . 1 1 514 514 ASN C C 514 179.369 179.369 175.651 3.718 19383 1439 1 6 . 1 1 514 514 ASN CA C 514 53.454 53.454 54.244 -0.790 19383 1440 1 6 . 1 1 514 514 ASN CB C 514 38.954 38.954 38.652 0.302 19383 1441 1 6 . 1 1 514 514 ASN H H 514 8.285 8.285 8.510 -0.225 19383 1442 1 6 . 1 1 515 515 LEU N N 515 121.054 121.054 122.680 -1.626 19383 1443 1 6 . 1 1 515 515 LEU HA H 515 4.154 4.154 4.315 -0.161 19383 1444 1 6 . 1 1 515 515 LEU C C 515 177.719 177.719 175.847 1.872 19383 1445 1 6 . 1 1 515 515 LEU CA C 515 55.268 55.268 54.043 1.225 19383 1446 1 6 . 1 1 515 515 LEU CB C 515 42.079 42.079 40.062 2.017 19383 1447 1 6 . 1 1 515 515 LEU H H 515 7.770 7.770 7.476 0.294 19383 1448 1 6 . 1 1 516 516 HIS N N 516 117.461 117.461 117.157 0.304 19383 1449 1 6 . 1 1 516 516 HIS HA H 516 4.451 4.451 4.639 -0.188 19383 1450 1 6 . 1 1 516 516 HIS C C 516 179.871 179.871 175.041 4.830 19383 1451 1 6 . 1 1 516 516 HIS CA C 516 55.414 55.414 56.254 -0.840 19383 1452 1 6 . 1 1 516 516 HIS CB C 516 28.867 28.867 29.824 -0.957 19383 1453 1 6 . 1 1 516 516 HIS H H 516 8.126 8.126 7.137 0.989 19383 1454 1 6 . 1 1 517 517 TYR N N 517 120.302 120.302 120.519 -0.217 19383 1455 1 6 . 1 1 517 517 TYR HA H 517 4.222 4.222 4.232 -0.010 19383 1456 1 6 . 1 1 517 517 TYR C C 517 178.883 178.883 176.094 2.789 19383 1457 1 6 . 1 1 517 517 TYR CA C 517 59.410 59.410 59.941 -0.531 19383 1458 1 6 . 1 1 517 517 TYR CB C 517 38.843 38.843 37.986 0.857 19383 1459 1 6 . 1 1 517 517 TYR H H 517 8.101 8.101 7.845 0.256 19383 1460 1 6 . 1 1 518 518 TRP N N 518 118.660 118.660 117.002 1.658 19383 1461 1 6 . 1 1 518 518 TRP HA H 518 4.569 4.569 5.143 -0.574 19383 1462 1 6 . 1 1 518 518 TRP C C 518 178.468 178.468 176.904 1.564 19383 1463 1 6 . 1 1 518 518 TRP CA C 518 57.501 57.501 56.834 0.667 19383 1464 1 6 . 1 1 518 518 TRP CB C 518 29.619 29.619 30.328 -0.709 19383 1465 1 6 . 1 1 518 518 TRP H H 518 7.665 7.665 8.098 -0.433 19383 1466 1 6 . 1 1 519 519 THR N N 519 112.373 112.373 112.352 0.021 19383 1467 1 6 . 1 1 519 519 THR HA H 519 4.351 4.351 3.966 0.385 19383 1468 1 6 . 1 1 519 519 THR C C 519 179.594 179.594 175.249 4.345 19383 1469 1 6 . 1 1 519 519 THR CA C 519 61.654 61.654 64.818 -3.164 19383 1470 1 6 . 1 1 519 519 THR CB C 519 69.859 69.859 67.622 2.237 19383 1471 1 6 . 1 1 519 519 THR H H 519 7.894 7.894 8.233 -0.339 19383 1472 1 6 . 1 1 520 520 THR N N 520 114.438 114.438 116.215 -1.777 19383 1473 1 6 . 1 1 520 520 THR HA H 520 4.256 4.256 4.313 -0.057 19383 1474 1 6 . 1 1 520 520 THR C C 520 179.419 179.419 175.805 3.614 19383 1475 1 6 . 1 1 520 520 THR CA C 520 62.019 62.019 63.776 -1.757 19383 1476 1 6 . 1 1 520 520 THR CB C 520 69.709 69.709 68.945 0.764 19383 1477 1 6 . 1 1 520 520 THR H H 520 7.957 7.957 8.522 -0.565 19383 1478 1 6 . 1 1 521 521 GLN N N 521 121.453 121.453 121.822 -0.369 19383 1479 1 6 . 1 1 521 521 GLN HA H 521 4.175 4.175 4.225 -0.050 19383 1480 1 6 . 1 1 521 521 GLN C C 521 178.345 178.345 177.427 0.918 19383 1481 1 6 . 1 1 521 521 GLN CA C 521 56.302 56.302 58.428 -2.126 19383 1482 1 6 . 1 1 521 521 GLN CB C 521 29.118 29.118 28.911 0.207 19383 1483 1 6 . 1 1 521 521 GLN H H 521 8.224 8.224 8.229 -0.005 19383 1484 1 6 . 1 1 522 522 ASP N N 522 120.227 120.227 118.043 2.184 19383 1485 1 6 . 1 1 522 522 ASP HA H 522 4.461 4.461 4.698 -0.237 19383 1486 1 6 . 1 1 522 522 ASP C C 522 177.838 177.838 177.007 0.831 19383 1487 1 6 . 1 1 522 522 ASP CA C 522 54.741 54.741 54.766 -0.025 19383 1488 1 6 . 1 1 522 522 ASP CB C 522 40.847 40.847 41.309 -0.463 19383 1489 1 6 . 1 1 522 522 ASP H H 522 8.155 8.155 7.852 0.303 19383 1490 1 6 . 1 1 523 523 GLU N N 523 120.511 120.511 119.285 1.226 19383 1491 1 6 . 1 1 523 523 GLU HA H 523 4.102 4.102 3.993 0.109 19383 1492 1 6 . 1 1 523 523 GLU C C 523 177.165 177.165 177.340 -0.175 19383 1493 1 6 . 1 1 523 523 GLU CA C 523 57.161 57.161 57.831 -0.670 19383 1494 1 6 . 1 1 523 523 GLU CB C 523 29.153 29.153 29.448 -0.295 19383 1495 1 6 . 1 1 523 523 GLU H H 523 8.250 8.250 7.794 0.456 19383 1496 1 6 . 1 1 524 524 GLY N N 524 108.395 108.395 104.584 3.811 19383 1497 1 6 . 1 1 524 524 GLY C C 524 179.999 179.999 173.569 6.430 19383 1498 1 6 . 1 1 524 524 GLY CA C 524 45.791 45.791 44.684 1.107 19383 1499 1 6 . 1 1 524 524 GLY H H 524 8.308 8.308 7.721 0.587 19383 1500 1 6 . 1 1 525 525 ALA N N 525 123.026 123.026 122.065 0.961 19383 1501 1 6 . 1 1 525 525 ALA HA H 525 4.139 4.139 4.455 -0.316 19383 1502 1 6 . 1 1 525 525 ALA C C 525 176.642 176.642 176.714 -0.072 19383 1503 1 6 . 1 1 525 525 ALA CA C 525 52.706 52.706 52.206 0.500 19383 1504 1 6 . 1 1 525 525 ALA CB C 525 19.148 19.148 20.786 -1.638 19383 1505 1 6 . 1 1 525 525 ALA H H 525 7.884 7.884 7.659 0.225 19383 1506 1 6 . 1 1 526 526 ALA N N 526 121.593 121.593 121.881 -0.288 19383 1507 1 6 . 1 1 526 526 ALA HA H 526 4.164 4.164 4.732 -0.568 19383 1508 1 6 . 1 1 526 526 ALA C C 526 176.320 176.320 177.135 -0.815 19383 1509 1 6 . 1 1 526 526 ALA CA C 526 52.788 52.788 52.614 0.173 19383 1510 1 6 . 1 1 526 526 ALA CB C 526 19.055 19.055 19.855 -0.800 19383 1511 1 6 . 1 1 526 526 ALA H H 526 8.027 8.027 7.778 0.249 19383 1512 1 6 . 1 1 527 527 ILE N N 527 117.907 117.907 117.228 0.679 19383 1513 1 6 . 1 1 527 527 ILE HA H 527 3.874 3.874 4.552 -0.678 19383 1514 1 6 . 1 1 527 527 ILE C C 527 177.983 177.983 177.537 0.446 19383 1515 1 6 . 1 1 527 527 ILE CA C 527 61.894 61.894 60.859 1.035 19383 1516 1 6 . 1 1 527 527 ILE CB C 527 38.485 38.485 37.661 0.824 19383 1517 1 6 . 1 1 527 527 ILE H H 527 7.913 7.913 7.846 0.067 19383 1518 1 6 . 1 1 528 528 GLY N N 528 109.328 109.328 109.438 -0.110 19383 1519 1 6 . 1 1 528 528 GLY C C 528 180.040 180.040 175.336 4.704 19383 1520 1 6 . 1 1 528 528 GLY CA C 528 45.877 45.877 47.367 -1.490 19383 1521 1 6 . 1 1 528 528 GLY H H 528 8.045 8.045 8.656 -0.611 19383 1522 1 6 . 1 1 529 529 LEU N N 529 119.297 119.297 118.357 0.940 19383 1523 1 6 . 1 1 529 529 LEU HA H 529 4.076 4.076 4.392 -0.316 19383 1524 1 6 . 1 1 529 529 LEU C C 529 177.413 177.413 176.983 0.430 19383 1525 1 6 . 1 1 529 529 LEU CA C 529 55.759 55.759 56.474 -0.715 19383 1526 1 6 . 1 1 529 529 LEU CB C 529 42.321 42.321 42.515 -0.194 19383 1527 1 6 . 1 1 529 529 LEU H H 529 8.083 8.083 7.713 0.370 19383 1528 1 6 . 1 1 530 530 ALA N N 530 120.355 120.355 119.776 0.579 19383 1529 1 6 . 1 1 530 530 ALA HA H 530 4.035 4.035 4.368 -0.333 19383 1530 1 6 . 1 1 530 530 ALA C C 530 177.142 177.142 178.534 -1.392 19383 1531 1 6 . 1 1 530 530 ALA CA C 530 53.814 53.814 51.751 2.063 19383 1532 1 6 . 1 1 530 530 ALA CB C 530 18.780 18.780 18.696 0.084 19383 1533 1 6 . 1 1 530 530 ALA H H 530 8.015 8.015 7.824 0.191 19383 1534 1 6 . 1 1 531 531 TRP N N 531 114.575 114.575 123.856 -9.281 19383 1535 1 6 . 1 1 531 531 TRP HA H 531 4.589 4.589 4.615 -0.026 19383 1536 1 6 . 1 1 531 531 TRP C C 531 177.968 177.968 174.917 3.051 19383 1537 1 6 . 1 1 531 531 TRP CA C 531 56.378 56.378 58.456 -2.078 19383 1538 1 6 . 1 1 531 531 TRP CB C 531 29.409 29.409 28.951 0.458 19383 1539 1 6 . 1 1 531 531 TRP H H 531 7.398 7.398 8.786 -1.388 19383 1540 1 6 . 1 1 532 532 ILE N N 532 121.501 121.501 113.329 8.172 19383 1541 1 6 . 1 1 532 532 ILE HA H 532 3.768 3.768 4.393 -0.625 19383 1542 1 6 . 1 1 532 532 ILE CA C 532 63.813 63.813 57.541 6.272 19383 1543 1 6 . 1 1 532 532 ILE H H 532 7.197 7.197 7.617 -0.420 19383 1544 1 6 . 1 1 533 533 PRO HA H 533 4.169 4.169 4.413 -0.244 19383 1545 1 6 . 1 1 533 533 PRO CA C 533 64.431 64.431 63.658 0.773 19383 1546 1 6 . 1 1 533 533 PRO CB C 533 32.238 32.238 31.574 0.664 19383 1547 1 6 . 1 1 534 534 TYR HA H 534 4.086 4.086 4.346 -0.260 19383 1548 1 6 . 1 1 534 534 TYR CA C 534 60.819 60.819 60.076 0.743 19383 1549 1 6 . 1 1 534 534 TYR CB C 534 38.437 38.437 39.156 -0.719 19383 1550 1 6 . 1 1 534 534 TYR H H 534 8.066 8.066 8.742 -0.676 19383 1551 1 6 . 1 1 535 535 PHE HA H 535 4.316 4.316 4.658 -0.342 19383 1552 1 6 . 1 1 535 535 PHE C C 535 175.669 175.669 176.377 -0.708 19383 1553 1 6 . 1 1 535 535 PHE CA C 535 58.885 58.885 57.948 0.937 19383 1554 1 6 . 1 1 535 535 PHE CB C 535 40.304 40.304 39.727 0.577 19383 1555 1 6 . 1 1 535 535 PHE H H 535 8.123 8.123 8.348 -0.225 19383 1556 1 6 . 1 1 536 536 GLY N N 536 107.103 107.103 109.696 -2.593 19383 1557 1 6 . 1 1 536 536 GLY CA C 536 46.510 46.510 43.902 2.608 19383 1558 1 6 . 1 1 536 536 GLY H H 536 8.031 8.031 8.107 -0.076 19383 1559 1 6 . 1 1 537 537 PRO HA H 537 4.210 4.210 4.356 -0.146 19383 1560 1 6 . 1 1 537 537 PRO C C 537 175.183 175.183 176.803 -1.620 19383 1561 1 6 . 1 1 537 537 PRO CA C 537 64.563 64.563 62.610 1.953 19383 1562 1 6 . 1 1 537 537 PRO CB C 537 31.618 31.618 32.507 -0.888 19383 1563 1 6 . 1 1 538 538 ALA N N 538 120.228 120.228 121.680 -1.452 19383 1564 1 6 . 1 1 538 538 ALA HA H 538 4.095 4.095 3.977 0.118 19383 1565 1 6 . 1 1 538 538 ALA C C 538 175.268 175.268 179.488 -4.220 19383 1566 1 6 . 1 1 538 538 ALA CA C 538 54.373 54.373 54.861 -0.488 19383 1567 1 6 . 1 1 538 538 ALA CB C 538 18.694 18.694 18.316 0.378 19383 1568 1 6 . 1 1 538 538 ALA H H 538 7.799 7.799 8.234 -0.435 19383 1569 1 6 . 1 1 539 539 ALA N N 539 120.412 120.412 118.342 2.070 19383 1570 1 6 . 1 1 539 539 ALA HA H 539 3.883 3.883 4.194 -0.311 19383 1571 1 6 . 1 1 539 539 ALA C C 539 175.516 175.516 179.658 -4.142 19383 1572 1 6 . 1 1 539 539 ALA CA C 539 54.526 54.526 54.627 -0.101 19383 1573 1 6 . 1 1 539 539 ALA CB C 539 18.780 18.780 17.016 1.764 19383 1574 1 6 . 1 1 539 539 ALA H H 539 8.208 8.208 8.474 -0.266 19383 1575 1 6 . 1 1 540 540 GLU N N 540 116.209 116.209 119.976 -3.767 19383 1576 1 6 . 1 1 540 540 GLU HA H 540 3.933 3.933 4.069 -0.136 19383 1577 1 6 . 1 1 540 540 GLU C C 540 176.525 176.525 177.563 -1.038 19383 1578 1 6 . 1 1 540 540 GLU CA C 540 58.522 58.522 59.543 -1.021 19383 1579 1 6 . 1 1 540 540 GLU CB C 540 28.907 28.907 29.646 -0.739 19383 1580 1 6 . 1 1 540 540 GLU H H 540 8.162 8.162 8.593 -0.431 19383 1581 1 6 . 1 1 541 541 GLY N N 541 107.297 107.297 103.600 3.697 19383 1582 1 6 . 1 1 541 541 GLY C C 541 178.784 178.784 174.452 4.332 19383 1583 1 6 . 1 1 541 541 GLY CA C 541 45.692 45.692 45.256 0.436 19383 1584 1 6 . 1 1 541 541 GLY H H 541 8.033 8.033 8.624 -0.591 19383 1585 1 6 . 1 1 542 542 ILE N N 542 121.066 121.066 115.588 5.478 19383 1586 1 6 . 1 1 542 542 ILE HA H 542 3.765 3.765 4.317 -0.552 19383 1587 1 6 . 1 1 542 542 ILE C C 542 176.804 176.804 175.482 1.322 19383 1588 1 6 . 1 1 542 542 ILE CA C 542 63.871 63.871 60.581 3.290 19383 1589 1 6 . 1 1 542 542 ILE CB C 542 38.075 38.075 38.146 -0.071 19383 1590 1 6 . 1 1 542 542 ILE H H 542 7.870 7.870 7.456 0.414 19383 1591 1 6 . 1 1 543 543 TYR N N 543 120.347 120.347 119.463 0.884 19383 1592 1 6 . 1 1 543 543 TYR HA H 543 4.144 4.144 4.579 -0.435 19383 1593 1 6 . 1 1 543 543 TYR C C 543 179.780 179.780 176.141 3.639 19383 1594 1 6 . 1 1 543 543 TYR CA C 543 60.629 60.629 59.373 1.256 19383 1595 1 6 . 1 1 543 543 TYR CB C 543 38.425 38.425 40.351 -1.926 19383 1596 1 6 . 1 1 543 543 TYR H H 543 8.066 8.066 8.234 -0.168 19383 1597 1 6 . 1 1 544 544 ALA N N 544 119.787 119.787 121.753 -1.966 19383 1598 1 6 . 1 1 544 544 ALA HA H 544 3.926 3.926 4.429 -0.503 19383 1599 1 6 . 1 1 544 544 ALA C C 544 175.014 175.014 177.864 -2.850 19383 1600 1 6 . 1 1 544 544 ALA CA C 544 54.262 54.262 53.825 0.437 19383 1601 1 6 . 1 1 544 544 ALA CB C 544 18.991 18.991 19.193 -0.202 19383 1602 1 6 . 1 1 544 544 ALA H H 544 7.910 7.910 7.846 0.064 19383 1603 1 6 . 1 1 545 545 GLU N N 545 115.906 115.906 117.987 -2.081 19383 1604 1 6 . 1 1 545 545 GLU HA H 545 4.056 4.056 4.343 -0.287 19383 1605 1 6 . 1 1 545 545 GLU C C 545 176.541 176.541 177.628 -1.087 19383 1606 1 6 . 1 1 545 545 GLU CA C 545 56.978 56.978 56.544 0.434 19383 1607 1 6 . 1 1 545 545 GLU CB C 545 29.625 29.625 30.677 -1.052 19383 1608 1 6 . 1 1 545 545 GLU H H 545 7.866 7.866 8.057 -0.191 19383 1609 1 6 . 1 1 546 546 GLY N N 546 107.293 107.293 108.519 -1.226 19383 1610 1 6 . 1 1 546 546 GLY C C 546 180.358 180.358 174.239 6.119 19383 1611 1 6 . 1 1 546 546 GLY CA C 546 45.645 45.645 46.737 -1.092 19383 1612 1 6 . 1 1 546 546 GLY H H 546 8.019 8.019 8.531 -0.512 19383 1613 1 6 . 1 1 547 547 LEU N N 547 121.469 121.469 113.014 8.455 19383 1614 1 6 . 1 1 547 547 LEU HA H 547 4.147 4.147 4.421 -0.274 19383 1615 1 6 . 1 1 547 547 LEU C C 547 176.730 176.730 176.265 0.465 19383 1616 1 6 . 1 1 547 547 LEU CA C 547 55.851 55.851 56.076 -0.225 19383 1617 1 6 . 1 1 547 547 LEU CB C 547 42.514 42.514 41.436 1.078 19383 1618 1 6 . 1 1 547 547 LEU H H 547 7.892 7.892 7.441 0.451 19383 1619 1 6 . 1 1 548 548 MET N N 548 116.092 116.092 119.224 -3.132 19383 1620 1 6 . 1 1 548 548 MET HA H 548 4.218 4.218 4.673 -0.455 19383 1621 1 6 . 1 1 548 548 MET C C 548 177.832 177.832 176.374 1.458 19383 1622 1 6 . 1 1 548 548 MET CA C 548 55.861 55.861 55.718 0.143 19383 1623 1 6 . 1 1 548 548 MET CB C 548 32.338 32.338 32.932 -0.594 19383 1624 1 6 . 1 1 548 548 MET H H 548 7.995 7.995 8.040 -0.045 19383 1625 1 6 . 1 1 549 549 HIS N N 549 116.959 116.959 114.041 2.918 19383 1626 1 6 . 1 1 549 549 HIS HA H 549 4.577 4.577 4.444 0.133 19383 1627 1 6 . 1 1 549 549 HIS C C 549 179.852 179.852 175.616 4.236 19383 1628 1 6 . 1 1 549 549 HIS CA C 549 55.656 55.656 57.900 -2.244 19383 1629 1 6 . 1 1 549 549 HIS CB C 549 28.847 28.847 28.049 0.798 19383 1630 1 6 . 1 1 549 549 HIS H H 549 8.074 8.074 8.543 -0.469 19383 1631 1 6 . 1 1 550 550 ASN N N 550 118.599 118.599 116.367 2.232 19383 1632 1 6 . 1 1 550 550 ASN HA H 550 4.611 4.611 4.658 -0.047 19383 1633 1 6 . 1 1 550 550 ASN C C 550 178.753 178.753 174.851 3.902 19383 1634 1 6 . 1 1 550 550 ASN CA C 550 53.651 53.651 54.291 -0.640 19383 1635 1 6 . 1 1 550 550 ASN CB C 550 38.884 38.884 40.402 -1.518 19383 1636 1 6 . 1 1 550 550 ASN H H 550 8.235 8.235 7.798 0.437 19383 1637 1 6 . 1 1 551 551 GLN N N 551 119.902 119.902 119.214 0.688 19383 1638 1 6 . 1 1 551 551 GLN HA H 551 4.203 4.203 4.216 -0.013 19383 1639 1 6 . 1 1 551 551 GLN C C 551 178.390 178.390 175.733 2.657 19383 1640 1 6 . 1 1 551 551 GLN CA C 551 56.276 56.276 56.131 0.145 19383 1641 1 6 . 1 1 551 551 GLN CB C 551 28.931 28.931 26.780 2.151 19383 1642 1 6 . 1 1 551 551 GLN H H 551 8.359 8.359 8.269 0.090 19383 1643 1 6 . 1 1 552 552 ASP N N 552 119.524 119.524 121.398 -1.874 19383 1644 1 6 . 1 1 552 552 ASP HA H 552 4.448 4.448 4.846 -0.398 19383 1645 1 6 . 1 1 552 552 ASP C C 552 177.522 177.522 176.359 1.163 19383 1646 1 6 . 1 1 552 552 ASP CA C 552 54.856 54.856 54.960 -0.104 19383 1647 1 6 . 1 1 552 552 ASP CB C 552 40.814 40.814 40.743 0.071 19383 1648 1 6 . 1 1 552 552 ASP H H 552 8.190 8.190 8.555 -0.365 19383 1649 1 6 . 1 1 553 553 GLY N N 553 108.043 108.043 105.826 2.217 19383 1650 1 6 . 1 1 553 553 GLY C C 553 179.757 179.757 175.515 4.242 19383 1651 1 6 . 1 1 553 553 GLY CA C 553 45.626 45.626 45.596 0.030 19383 1652 1 6 . 1 1 553 553 GLY H H 553 8.130 8.130 8.128 0.002 19383 1653 1 6 . 1 1 554 554 LEU N N 554 121.485 121.485 122.067 -0.582 19383 1654 1 6 . 1 1 554 554 LEU HA H 554 4.168 4.168 4.146 0.022 19383 1655 1 6 . 1 1 554 554 LEU C C 554 176.732 176.732 178.211 -1.479 19383 1656 1 6 . 1 1 554 554 LEU CA C 554 56.145 56.145 57.888 -1.743 19383 1657 1 6 . 1 1 554 554 LEU CB C 554 42.513 42.513 41.931 0.582 19383 1658 1 6 . 1 1 554 554 LEU H H 554 8.081 8.081 8.033 0.048 19383 1659 1 6 . 1 1 555 555 ILE N N 555 117.390 117.390 118.668 -1.278 19383 1660 1 6 . 1 1 555 555 ILE HA H 555 3.954 3.954 4.055 -0.101 19383 1661 1 6 . 1 1 555 555 ILE C C 555 178.242 178.242 176.332 1.910 19383 1662 1 6 . 1 1 555 555 ILE CA C 555 61.929 61.929 59.117 2.812 19383 1663 1 6 . 1 1 555 555 ILE CB C 555 38.317 38.317 34.568 3.749 19383 1664 1 6 . 1 1 555 555 ILE H H 555 7.976 7.976 7.824 0.152 19383 1665 1 6 . 1 1 556 556 CYS N N 556 119.495 119.495 122.984 -3.489 19383 1666 1 6 . 1 1 556 556 CYS HA H 556 4.411 4.411 4.391 0.020 19383 1667 1 6 . 1 1 556 556 CYS C C 556 178.872 178.872 177.188 1.684 19383 1668 1 6 . 1 1 556 556 CYS CA C 556 56.233 56.233 61.122 -4.889 19383 1669 1 6 . 1 1 556 556 CYS CB C 556 41.438 41.438 26.341 15.097 19383 1670 1 6 . 1 1 556 556 CYS H H 556 8.214 8.214 8.661 -0.447 19383 1671 1 6 . 1 1 557 557 GLY N N 557 108.419 108.419 109.773 -1.354 19383 1672 1 6 . 1 1 557 557 GLY C C 557 180.393 180.393 175.239 5.154 19383 1673 1 6 . 1 1 557 557 GLY CA C 557 45.701 45.701 46.650 -0.949 19383 1674 1 6 . 1 1 557 557 GLY H H 557 8.141 8.141 8.753 -0.612 19383 1675 1 6 . 1 1 558 558 LEU N N 558 120.318 120.318 118.031 2.287 19383 1676 1 6 . 1 1 558 558 LEU HA H 558 4.237 4.237 4.186 0.051 19383 1677 1 6 . 1 1 558 558 LEU C C 558 177.398 177.398 177.354 0.044 19383 1678 1 6 . 1 1 558 558 LEU CA C 558 55.730 55.730 56.116 -0.386 19383 1679 1 6 . 1 1 558 558 LEU CB C 558 42.585 42.585 42.020 0.565 19383 1680 1 6 . 1 1 558 558 LEU H H 558 7.837 7.837 7.319 0.518 19383 1681 1 6 . 1 1 559 559 ARG N N 559 119.828 119.828 115.865 3.963 19383 1682 1 6 . 1 1 559 559 ARG HA H 559 4.245 4.245 3.910 0.335 19383 1683 1 6 . 1 1 559 559 ARG C C 559 179.052 179.052 175.950 3.102 19383 1684 1 6 . 1 1 559 559 ARG CA C 559 55.773 55.773 56.902 -1.129 19383 1685 1 6 . 1 1 559 559 ARG CB C 559 31.191 31.191 28.435 2.756 19383 1686 1 6 . 1 1 559 559 ARG H H 559 8.007 8.007 7.618 0.389 19383 1687 1 7 . 1 1 508 508 GLN N N 508 120.721 120.721 119.848 0.873 19383 1688 1 7 . 1 1 508 508 GLN HA H 508 4.607 4.607 4.625 -0.018 19383 1689 1 7 . 1 1 508 508 GLN CA C 508 53.627 53.627 54.360 -0.733 19383 1690 1 7 . 1 1 508 508 GLN CB C 508 28.849 28.849 29.601 -0.752 19383 1691 1 7 . 1 1 508 508 GLN H H 508 8.575 8.575 8.344 0.231 19383 1692 1 7 . 1 1 509 509 PRO HA H 509 4.329 4.329 4.445 -0.116 19383 1693 1 7 . 1 1 509 509 PRO C C 509 177.740 177.740 176.399 1.341 19383 1694 1 7 . 1 1 509 509 PRO CA C 509 63.094 63.094 63.303 -0.209 19383 1695 1 7 . 1 1 509 509 PRO CB C 509 32.083 32.083 32.099 -0.016 19383 1696 1 7 . 1 1 510 510 LYS N N 510 121.228 121.228 114.917 6.311 19383 1697 1 7 . 1 1 510 510 LYS HA H 510 4.233 4.233 4.051 0.182 19383 1698 1 7 . 1 1 510 510 LYS C C 510 177.951 177.951 175.258 2.693 19383 1699 1 7 . 1 1 510 510 LYS CA C 510 55.910 55.910 56.763 -0.853 19383 1700 1 7 . 1 1 510 510 LYS CB C 510 32.985 32.985 30.654 2.331 19383 1701 1 7 . 1 1 510 510 LYS H H 510 8.330 8.330 8.147 0.183 19383 1702 1 7 . 1 1 511 511 CYS N N 511 119.374 119.374 117.117 2.257 19383 1703 1 7 . 1 1 511 511 CYS HA H 511 4.562 4.562 4.215 0.347 19383 1704 1 7 . 1 1 511 511 CYS C C 511 180.885 180.885 174.966 5.919 19383 1705 1 7 . 1 1 511 511 CYS CA C 511 55.085 55.085 59.553 -4.468 19383 1706 1 7 . 1 1 511 511 CYS CB C 511 41.809 41.809 25.127 16.682 19383 1707 1 7 . 1 1 511 511 CYS H H 511 8.284 8.284 8.391 -0.107 19383 1708 1 7 . 1 1 512 512 ASN N N 512 122.292 122.292 120.144 2.148 19383 1709 1 7 . 1 1 512 512 ASN HA H 512 4.898 4.898 5.073 -0.175 19383 1710 1 7 . 1 1 512 512 ASN CA C 512 50.921 50.921 50.590 0.331 19383 1711 1 7 . 1 1 512 512 ASN CB C 512 39.105 39.105 39.559 -0.454 19383 1712 1 7 . 1 1 512 512 ASN H H 512 8.614 8.614 8.466 0.148 19383 1713 1 7 . 1 1 513 513 PRO HA H 513 4.294 4.294 4.700 -0.406 19383 1714 1 7 . 1 1 513 513 PRO C C 513 177.920 177.920 175.954 1.966 19383 1715 1 7 . 1 1 513 513 PRO CA C 513 63.373 63.373 63.017 0.357 19383 1716 1 7 . 1 1 513 513 PRO CB C 513 31.880 31.880 31.353 0.527 19383 1717 1 7 . 1 1 514 514 ASN N N 514 117.476 117.476 116.548 0.928 19383 1718 1 7 . 1 1 514 514 ASN HA H 514 4.557 4.557 4.748 -0.191 19383 1719 1 7 . 1 1 514 514 ASN C C 514 179.369 179.369 175.505 3.864 19383 1720 1 7 . 1 1 514 514 ASN CA C 514 53.454 53.454 53.939 -0.485 19383 1721 1 7 . 1 1 514 514 ASN CB C 514 38.954 38.954 39.832 -0.878 19383 1722 1 7 . 1 1 514 514 ASN H H 514 8.285 8.285 7.942 0.343 19383 1723 1 7 . 1 1 515 515 LEU N N 515 121.054 121.054 122.964 -1.910 19383 1724 1 7 . 1 1 515 515 LEU HA H 515 4.154 4.154 4.677 -0.523 19383 1725 1 7 . 1 1 515 515 LEU C C 515 177.719 177.719 176.881 0.838 19383 1726 1 7 . 1 1 515 515 LEU CA C 515 55.268 55.268 54.217 1.051 19383 1727 1 7 . 1 1 515 515 LEU CB C 515 42.079 42.079 40.199 1.880 19383 1728 1 7 . 1 1 515 515 LEU H H 515 7.770 7.770 7.548 0.222 19383 1729 1 7 . 1 1 516 516 HIS N N 516 117.461 117.461 120.516 -3.055 19383 1730 1 7 . 1 1 516 516 HIS HA H 516 4.451 4.451 4.306 0.145 19383 1731 1 7 . 1 1 516 516 HIS C C 516 179.871 179.871 176.182 3.689 19383 1732 1 7 . 1 1 516 516 HIS CA C 516 55.414 55.414 59.320 -3.906 19383 1733 1 7 . 1 1 516 516 HIS CB C 516 28.867 28.867 30.271 -1.404 19383 1734 1 7 . 1 1 516 516 HIS H H 516 8.126 8.126 8.028 0.098 19383 1735 1 7 . 1 1 517 517 TYR N N 517 120.302 120.302 119.152 1.150 19383 1736 1 7 . 1 1 517 517 TYR HA H 517 4.222 4.222 4.281 -0.059 19383 1737 1 7 . 1 1 517 517 TYR C C 517 178.883 178.883 176.686 2.197 19383 1738 1 7 . 1 1 517 517 TYR CA C 517 59.410 59.410 60.805 -1.395 19383 1739 1 7 . 1 1 517 517 TYR CB C 517 38.843 38.843 37.839 1.004 19383 1740 1 7 . 1 1 517 517 TYR H H 517 8.101 8.101 8.171 -0.070 19383 1741 1 7 . 1 1 518 518 TRP N N 518 118.660 118.660 117.607 1.053 19383 1742 1 7 . 1 1 518 518 TRP HA H 518 4.569 4.569 4.643 -0.074 19383 1743 1 7 . 1 1 518 518 TRP C C 518 178.468 178.468 177.797 0.671 19383 1744 1 7 . 1 1 518 518 TRP CA C 518 57.501 57.501 58.862 -1.361 19383 1745 1 7 . 1 1 518 518 TRP CB C 518 29.619 29.619 30.041 -0.422 19383 1746 1 7 . 1 1 518 518 TRP H H 518 7.665 7.665 8.281 -0.616 19383 1747 1 7 . 1 1 519 519 THR N N 519 112.373 112.373 109.397 2.976 19383 1748 1 7 . 1 1 519 519 THR HA H 519 4.351 4.351 3.805 0.546 19383 1749 1 7 . 1 1 519 519 THR C C 519 179.594 179.594 175.448 4.146 19383 1750 1 7 . 1 1 519 519 THR CA C 519 61.654 61.654 64.569 -2.915 19383 1751 1 7 . 1 1 519 519 THR CB C 519 69.859 69.859 67.508 2.351 19383 1752 1 7 . 1 1 519 519 THR H H 519 7.894 7.894 8.317 -0.423 19383 1753 1 7 . 1 1 520 520 THR N N 520 114.438 114.438 116.439 -2.001 19383 1754 1 7 . 1 1 520 520 THR HA H 520 4.256 4.256 4.396 -0.140 19383 1755 1 7 . 1 1 520 520 THR C C 520 179.419 179.419 175.878 3.541 19383 1756 1 7 . 1 1 520 520 THR CA C 520 62.019 62.019 64.421 -2.402 19383 1757 1 7 . 1 1 520 520 THR CB C 520 69.709 69.709 69.053 0.656 19383 1758 1 7 . 1 1 520 520 THR H H 520 7.957 7.957 8.613 -0.656 19383 1759 1 7 . 1 1 521 521 GLN N N 521 121.453 121.453 122.124 -0.671 19383 1760 1 7 . 1 1 521 521 GLN HA H 521 4.175 4.175 4.230 -0.055 19383 1761 1 7 . 1 1 521 521 GLN C C 521 178.345 178.345 176.773 1.572 19383 1762 1 7 . 1 1 521 521 GLN CA C 521 56.302 56.302 58.498 -2.196 19383 1763 1 7 . 1 1 521 521 GLN CB C 521 29.118 29.118 28.800 0.318 19383 1764 1 7 . 1 1 521 521 GLN H H 521 8.224 8.224 8.371 -0.147 19383 1765 1 7 . 1 1 522 522 ASP N N 522 120.227 120.227 117.117 3.110 19383 1766 1 7 . 1 1 522 522 ASP HA H 522 4.461 4.461 4.732 -0.271 19383 1767 1 7 . 1 1 522 522 ASP C C 522 177.838 177.838 177.275 0.563 19383 1768 1 7 . 1 1 522 522 ASP CA C 522 54.741 54.741 54.578 0.163 19383 1769 1 7 . 1 1 522 522 ASP CB C 522 40.847 40.847 40.829 0.018 19383 1770 1 7 . 1 1 522 522 ASP H H 522 8.155 8.155 7.844 0.311 19383 1771 1 7 . 1 1 523 523 GLU N N 523 120.511 120.511 120.049 0.462 19383 1772 1 7 . 1 1 523 523 GLU HA H 523 4.102 4.102 4.360 -0.258 19383 1773 1 7 . 1 1 523 523 GLU C C 523 177.165 177.165 177.151 0.014 19383 1774 1 7 . 1 1 523 523 GLU CA C 523 57.161 57.161 58.463 -1.302 19383 1775 1 7 . 1 1 523 523 GLU CB C 523 29.153 29.153 29.426 -0.273 19383 1776 1 7 . 1 1 523 523 GLU H H 523 8.250 8.250 7.936 0.314 19383 1777 1 7 . 1 1 524 524 GLY N N 524 108.395 108.395 105.314 3.081 19383 1778 1 7 . 1 1 524 524 GLY C C 524 179.999 179.999 173.641 6.358 19383 1779 1 7 . 1 1 524 524 GLY CA C 524 45.791 45.791 44.776 1.015 19383 1780 1 7 . 1 1 524 524 GLY H H 524 8.308 8.308 7.773 0.535 19383 1781 1 7 . 1 1 525 525 ALA N N 525 123.026 123.026 123.552 -0.526 19383 1782 1 7 . 1 1 525 525 ALA HA H 525 4.139 4.139 4.388 -0.249 19383 1783 1 7 . 1 1 525 525 ALA C C 525 176.642 176.642 177.289 -0.647 19383 1784 1 7 . 1 1 525 525 ALA CA C 525 52.706 52.706 52.819 -0.113 19383 1785 1 7 . 1 1 525 525 ALA CB C 525 19.148 19.148 20.292 -1.144 19383 1786 1 7 . 1 1 525 525 ALA H H 525 7.884 7.884 7.760 0.124 19383 1787 1 7 . 1 1 526 526 ALA N N 526 121.593 121.593 121.404 0.189 19383 1788 1 7 . 1 1 526 526 ALA HA H 526 4.164 4.164 4.774 -0.610 19383 1789 1 7 . 1 1 526 526 ALA C C 526 176.320 176.320 176.567 -0.247 19383 1790 1 7 . 1 1 526 526 ALA CA C 526 52.788 52.788 51.894 0.894 19383 1791 1 7 . 1 1 526 526 ALA CB C 526 19.055 19.055 19.986 -0.931 19383 1792 1 7 . 1 1 526 526 ALA H H 526 8.027 8.027 7.999 0.028 19383 1793 1 7 . 1 1 527 527 ILE N N 527 117.907 117.907 114.151 3.756 19383 1794 1 7 . 1 1 527 527 ILE HA H 527 3.874 3.874 4.268 -0.394 19383 1795 1 7 . 1 1 527 527 ILE C C 527 177.983 177.983 177.383 0.600 19383 1796 1 7 . 1 1 527 527 ILE CA C 527 61.894 61.894 60.687 1.207 19383 1797 1 7 . 1 1 527 527 ILE CB C 527 38.485 38.485 37.971 0.514 19383 1798 1 7 . 1 1 527 527 ILE H H 527 7.913 7.913 7.677 0.236 19383 1799 1 7 . 1 1 528 528 GLY N N 528 109.328 109.328 109.469 -0.141 19383 1800 1 7 . 1 1 528 528 GLY C C 528 180.040 180.040 175.447 4.593 19383 1801 1 7 . 1 1 528 528 GLY CA C 528 45.877 45.877 47.212 -1.335 19383 1802 1 7 . 1 1 528 528 GLY H H 528 8.045 8.045 8.604 -0.559 19383 1803 1 7 . 1 1 529 529 LEU N N 529 119.297 119.297 118.068 1.229 19383 1804 1 7 . 1 1 529 529 LEU HA H 529 4.076 4.076 4.774 -0.698 19383 1805 1 7 . 1 1 529 529 LEU C C 529 177.413 177.413 177.780 -0.367 19383 1806 1 7 . 1 1 529 529 LEU CA C 529 55.759 55.759 55.351 0.408 19383 1807 1 7 . 1 1 529 529 LEU CB C 529 42.321 42.321 41.407 0.914 19383 1808 1 7 . 1 1 529 529 LEU H H 529 8.083 8.083 7.624 0.459 19383 1809 1 7 . 1 1 530 530 ALA N N 530 120.355 120.355 120.309 0.046 19383 1810 1 7 . 1 1 530 530 ALA HA H 530 4.035 4.035 4.636 -0.601 19383 1811 1 7 . 1 1 530 530 ALA C C 530 177.142 177.142 177.965 -0.823 19383 1812 1 7 . 1 1 530 530 ALA CA C 530 53.814 53.814 51.972 1.841 19383 1813 1 7 . 1 1 530 530 ALA CB C 530 18.780 18.780 19.496 -0.716 19383 1814 1 7 . 1 1 530 530 ALA H H 530 8.015 8.015 7.434 0.581 19383 1815 1 7 . 1 1 531 531 TRP N N 531 114.575 114.575 120.644 -6.069 19383 1816 1 7 . 1 1 531 531 TRP HA H 531 4.589 4.589 4.400 0.189 19383 1817 1 7 . 1 1 531 531 TRP C C 531 177.968 177.968 175.709 2.259 19383 1818 1 7 . 1 1 531 531 TRP CA C 531 56.378 56.378 60.346 -3.968 19383 1819 1 7 . 1 1 531 531 TRP CB C 531 29.409 29.409 29.885 -0.476 19383 1820 1 7 . 1 1 531 531 TRP H H 531 7.398 7.398 8.301 -0.903 19383 1821 1 7 . 1 1 532 532 ILE N N 532 121.501 121.501 111.919 9.582 19383 1822 1 7 . 1 1 532 532 ILE HA H 532 3.768 3.768 4.473 -0.705 19383 1823 1 7 . 1 1 532 532 ILE CA C 532 63.813 63.813 57.126 6.687 19383 1824 1 7 . 1 1 532 532 ILE H H 532 7.197 7.197 7.314 -0.117 19383 1825 1 7 . 1 1 533 533 PRO HA H 533 4.169 4.169 4.184 -0.015 19383 1826 1 7 . 1 1 533 533 PRO CA C 533 64.431 64.431 63.524 0.907 19383 1827 1 7 . 1 1 533 533 PRO CB C 533 32.238 32.238 30.563 1.675 19383 1828 1 7 . 1 1 534 534 TYR HA H 534 4.086 4.086 4.512 -0.426 19383 1829 1 7 . 1 1 534 534 TYR CA C 534 60.819 60.819 58.335 2.484 19383 1830 1 7 . 1 1 534 534 TYR CB C 534 38.437 38.437 37.894 0.543 19383 1831 1 7 . 1 1 534 534 TYR H H 534 8.066 8.066 7.732 0.334 19383 1832 1 7 . 1 1 535 535 PHE HA H 535 4.316 4.316 4.099 0.217 19383 1833 1 7 . 1 1 535 535 PHE C C 535 175.669 175.669 176.486 -0.817 19383 1834 1 7 . 1 1 535 535 PHE CA C 535 58.885 58.885 59.087 -0.202 19383 1835 1 7 . 1 1 535 535 PHE CB C 535 40.304 40.304 39.050 1.254 19383 1836 1 7 . 1 1 535 535 PHE H H 535 8.123 8.123 7.551 0.572 19383 1837 1 7 . 1 1 536 536 GLY N N 536 107.103 107.103 105.741 1.362 19383 1838 1 7 . 1 1 536 536 GLY CA C 536 46.510 46.510 44.746 1.764 19383 1839 1 7 . 1 1 536 536 GLY H H 536 8.031 8.031 7.779 0.252 19383 1840 1 7 . 1 1 537 537 PRO HA H 537 4.210 4.210 4.519 -0.309 19383 1841 1 7 . 1 1 537 537 PRO C C 537 175.183 175.183 176.496 -1.313 19383 1842 1 7 . 1 1 537 537 PRO CA C 537 64.563 64.563 62.524 2.039 19383 1843 1 7 . 1 1 537 537 PRO CB C 537 31.618 31.618 31.770 -0.152 19383 1844 1 7 . 1 1 538 538 ALA N N 538 120.228 120.228 121.470 -1.242 19383 1845 1 7 . 1 1 538 538 ALA HA H 538 4.095 4.095 4.052 0.043 19383 1846 1 7 . 1 1 538 538 ALA C C 538 175.268 175.268 178.786 -3.518 19383 1847 1 7 . 1 1 538 538 ALA CA C 538 54.373 54.373 54.284 0.089 19383 1848 1 7 . 1 1 538 538 ALA CB C 538 18.694 18.694 18.596 0.098 19383 1849 1 7 . 1 1 538 538 ALA H H 538 7.799 7.799 8.250 -0.451 19383 1850 1 7 . 1 1 539 539 ALA N N 539 120.412 120.412 119.395 1.017 19383 1851 1 7 . 1 1 539 539 ALA HA H 539 3.883 3.883 4.024 -0.141 19383 1852 1 7 . 1 1 539 539 ALA C C 539 175.516 175.516 179.697 -4.181 19383 1853 1 7 . 1 1 539 539 ALA CA C 539 54.526 54.526 54.600 -0.074 19383 1854 1 7 . 1 1 539 539 ALA CB C 539 18.780 18.780 16.940 1.840 19383 1855 1 7 . 1 1 539 539 ALA H H 539 8.208 8.208 8.355 -0.147 19383 1856 1 7 . 1 1 540 540 GLU N N 540 116.209 116.209 119.507 -3.298 19383 1857 1 7 . 1 1 540 540 GLU HA H 540 3.933 3.933 4.001 -0.068 19383 1858 1 7 . 1 1 540 540 GLU C C 540 176.525 176.525 177.065 -0.540 19383 1859 1 7 . 1 1 540 540 GLU CA C 540 58.522 58.522 59.330 -0.808 19383 1860 1 7 . 1 1 540 540 GLU CB C 540 28.907 28.907 29.628 -0.721 19383 1861 1 7 . 1 1 540 540 GLU H H 540 8.162 8.162 8.700 -0.538 19383 1862 1 7 . 1 1 541 541 GLY N N 541 107.297 107.297 104.259 3.038 19383 1863 1 7 . 1 1 541 541 GLY C C 541 178.784 178.784 175.429 3.355 19383 1864 1 7 . 1 1 541 541 GLY CA C 541 45.692 45.692 45.162 0.530 19383 1865 1 7 . 1 1 541 541 GLY H H 541 8.033 8.033 8.052 -0.019 19383 1866 1 7 . 1 1 542 542 ILE N N 542 121.066 121.066 117.008 4.058 19383 1867 1 7 . 1 1 542 542 ILE HA H 542 3.765 3.765 3.472 0.293 19383 1868 1 7 . 1 1 542 542 ILE C C 542 176.804 176.804 175.367 1.437 19383 1869 1 7 . 1 1 542 542 ILE CA C 542 63.871 63.871 62.225 1.646 19383 1870 1 7 . 1 1 542 542 ILE CB C 542 38.075 38.075 37.425 0.651 19383 1871 1 7 . 1 1 542 542 ILE H H 542 7.870 7.870 7.951 -0.081 19383 1872 1 7 . 1 1 543 543 TYR N N 543 120.347 120.347 118.585 1.762 19383 1873 1 7 . 1 1 543 543 TYR HA H 543 4.144 4.144 4.457 -0.313 19383 1874 1 7 . 1 1 543 543 TYR C C 543 179.780 179.780 175.779 4.001 19383 1875 1 7 . 1 1 543 543 TYR CA C 543 60.629 60.629 58.541 2.088 19383 1876 1 7 . 1 1 543 543 TYR CB C 543 38.425 38.425 40.137 -1.712 19383 1877 1 7 . 1 1 543 543 TYR H H 543 8.066 8.066 8.005 0.061 19383 1878 1 7 . 1 1 544 544 ALA N N 544 119.787 119.787 121.651 -1.864 19383 1879 1 7 . 1 1 544 544 ALA HA H 544 3.926 3.926 4.385 -0.459 19383 1880 1 7 . 1 1 544 544 ALA C C 544 175.014 175.014 177.255 -2.241 19383 1881 1 7 . 1 1 544 544 ALA CA C 544 54.262 54.262 53.109 1.153 19383 1882 1 7 . 1 1 544 544 ALA CB C 544 18.991 18.991 20.147 -1.156 19383 1883 1 7 . 1 1 544 544 ALA H H 544 7.910 7.910 7.995 -0.085 19383 1884 1 7 . 1 1 545 545 GLU N N 545 115.906 115.906 118.232 -2.326 19383 1885 1 7 . 1 1 545 545 GLU HA H 545 4.056 4.056 4.392 -0.336 19383 1886 1 7 . 1 1 545 545 GLU C C 545 176.541 176.541 178.044 -1.503 19383 1887 1 7 . 1 1 545 545 GLU CA C 545 56.978 56.978 56.130 0.848 19383 1888 1 7 . 1 1 545 545 GLU CB C 545 29.625 29.625 32.163 -2.538 19383 1889 1 7 . 1 1 545 545 GLU H H 545 7.866 7.866 7.956 -0.090 19383 1890 1 7 . 1 1 546 546 GLY N N 546 107.293 107.293 109.107 -1.814 19383 1891 1 7 . 1 1 546 546 GLY C C 546 180.358 180.358 174.234 6.124 19383 1892 1 7 . 1 1 546 546 GLY CA C 546 45.645 45.645 46.817 -1.172 19383 1893 1 7 . 1 1 546 546 GLY H H 546 8.019 8.019 8.313 -0.294 19383 1894 1 7 . 1 1 547 547 LEU N N 547 121.469 121.469 114.397 7.072 19383 1895 1 7 . 1 1 547 547 LEU HA H 547 4.147 4.147 4.592 -0.445 19383 1896 1 7 . 1 1 547 547 LEU C C 547 176.730 176.730 176.209 0.521 19383 1897 1 7 . 1 1 547 547 LEU CA C 547 55.851 55.851 56.468 -0.616 19383 1898 1 7 . 1 1 547 547 LEU CB C 547 42.514 42.514 41.902 0.612 19383 1899 1 7 . 1 1 547 547 LEU H H 547 7.892 7.892 7.789 0.103 19383 1900 1 7 . 1 1 548 548 MET N N 548 116.092 116.092 119.167 -3.075 19383 1901 1 7 . 1 1 548 548 MET HA H 548 4.218 4.218 4.554 -0.336 19383 1902 1 7 . 1 1 548 548 MET C C 548 177.832 177.832 177.107 0.725 19383 1903 1 7 . 1 1 548 548 MET CA C 548 55.861 55.861 55.603 0.258 19383 1904 1 7 . 1 1 548 548 MET CB C 548 32.338 32.338 32.814 -0.476 19383 1905 1 7 . 1 1 548 548 MET H H 548 7.995 7.995 8.311 -0.316 19383 1906 1 7 . 1 1 549 549 HIS N N 549 116.959 116.959 115.469 1.490 19383 1907 1 7 . 1 1 549 549 HIS HA H 549 4.577 4.577 4.686 -0.109 19383 1908 1 7 . 1 1 549 549 HIS C C 549 179.852 179.852 175.575 4.277 19383 1909 1 7 . 1 1 549 549 HIS CA C 549 55.656 55.656 57.327 -1.671 19383 1910 1 7 . 1 1 549 549 HIS CB C 549 28.847 28.847 28.669 0.178 19383 1911 1 7 . 1 1 549 549 HIS H H 549 8.074 8.074 8.698 -0.624 19383 1912 1 7 . 1 1 550 550 ASN N N 550 118.599 118.599 116.280 2.319 19383 1913 1 7 . 1 1 550 550 ASN HA H 550 4.611 4.611 4.570 0.041 19383 1914 1 7 . 1 1 550 550 ASN C C 550 178.753 178.753 175.002 3.751 19383 1915 1 7 . 1 1 550 550 ASN CA C 550 53.651 53.651 54.299 -0.648 19383 1916 1 7 . 1 1 550 550 ASN CB C 550 38.884 38.884 39.658 -0.774 19383 1917 1 7 . 1 1 550 550 ASN H H 550 8.235 8.235 7.783 0.452 19383 1918 1 7 . 1 1 551 551 GLN N N 551 119.902 119.902 119.604 0.298 19383 1919 1 7 . 1 1 551 551 GLN HA H 551 4.203 4.203 4.110 0.093 19383 1920 1 7 . 1 1 551 551 GLN C C 551 178.390 178.390 175.340 3.050 19383 1921 1 7 . 1 1 551 551 GLN CA C 551 56.276 56.276 56.111 0.165 19383 1922 1 7 . 1 1 551 551 GLN CB C 551 28.931 28.931 26.884 2.047 19383 1923 1 7 . 1 1 551 551 GLN H H 551 8.359 8.359 7.499 0.860 19383 1924 1 7 . 1 1 552 552 ASP N N 552 119.524 119.524 117.270 2.254 19383 1925 1 7 . 1 1 552 552 ASP HA H 552 4.448 4.448 4.777 -0.329 19383 1926 1 7 . 1 1 552 552 ASP C C 552 177.522 177.522 177.180 0.342 19383 1927 1 7 . 1 1 552 552 ASP CA C 552 54.856 54.856 52.569 2.287 19383 1928 1 7 . 1 1 552 552 ASP CB C 552 40.814 40.814 40.664 0.150 19383 1929 1 7 . 1 1 552 552 ASP H H 552 8.190 8.190 8.539 -0.349 19383 1930 1 7 . 1 1 553 553 GLY N N 553 108.043 108.043 106.975 1.068 19383 1931 1 7 . 1 1 553 553 GLY C C 553 179.757 179.757 175.385 4.372 19383 1932 1 7 . 1 1 553 553 GLY CA C 553 45.626 45.626 45.348 0.278 19383 1933 1 7 . 1 1 553 553 GLY H H 553 8.130 8.130 8.017 0.113 19383 1934 1 7 . 1 1 554 554 LEU N N 554 121.485 121.485 122.117 -0.632 19383 1935 1 7 . 1 1 554 554 LEU HA H 554 4.168 4.168 4.089 0.079 19383 1936 1 7 . 1 1 554 554 LEU C C 554 176.732 176.732 177.850 -1.118 19383 1937 1 7 . 1 1 554 554 LEU CA C 554 56.145 56.145 57.786 -1.641 19383 1938 1 7 . 1 1 554 554 LEU CB C 554 42.513 42.513 42.053 0.459 19383 1939 1 7 . 1 1 554 554 LEU H H 554 8.081 8.081 7.288 0.793 19383 1940 1 7 . 1 1 555 555 ILE N N 555 117.390 117.390 118.691 -1.301 19383 1941 1 7 . 1 1 555 555 ILE HA H 555 3.954 3.954 4.087 -0.133 19383 1942 1 7 . 1 1 555 555 ILE C C 555 178.242 178.242 176.287 1.955 19383 1943 1 7 . 1 1 555 555 ILE CA C 555 61.929 61.929 59.103 2.826 19383 1944 1 7 . 1 1 555 555 ILE CB C 555 38.317 38.317 34.663 3.654 19383 1945 1 7 . 1 1 555 555 ILE H H 555 7.976 7.976 7.716 0.260 19383 1946 1 7 . 1 1 556 556 CYS N N 556 119.495 119.495 122.914 -3.419 19383 1947 1 7 . 1 1 556 556 CYS HA H 556 4.411 4.411 4.204 0.207 19383 1948 1 7 . 1 1 556 556 CYS C C 556 178.872 178.872 176.729 2.143 19383 1949 1 7 . 1 1 556 556 CYS CA C 556 56.233 56.233 61.296 -5.063 19383 1950 1 7 . 1 1 556 556 CYS CB C 556 41.438 41.438 26.527 14.911 19383 1951 1 7 . 1 1 556 556 CYS H H 556 8.214 8.214 8.217 -0.003 19383 1952 1 7 . 1 1 557 557 GLY N N 557 108.419 108.419 108.689 -0.270 19383 1953 1 7 . 1 1 557 557 GLY C C 557 180.393 180.393 175.567 4.826 19383 1954 1 7 . 1 1 557 557 GLY CA C 557 45.701 45.701 46.043 -0.342 19383 1955 1 7 . 1 1 557 557 GLY H H 557 8.141 8.141 8.530 -0.389 19383 1956 1 7 . 1 1 558 558 LEU N N 558 120.318 120.318 117.118 3.200 19383 1957 1 7 . 1 1 558 558 LEU HA H 558 4.237 4.237 4.212 0.025 19383 1958 1 7 . 1 1 558 558 LEU C C 558 177.398 177.398 177.616 -0.218 19383 1959 1 7 . 1 1 558 558 LEU CA C 558 55.730 55.730 55.776 -0.047 19383 1960 1 7 . 1 1 558 558 LEU CB C 558 42.585 42.585 41.236 1.349 19383 1961 1 7 . 1 1 558 558 LEU H H 558 7.837 7.837 7.356 0.481 19383 1962 1 7 . 1 1 559 559 ARG N N 559 119.828 119.828 120.072 -0.244 19383 1963 1 7 . 1 1 559 559 ARG HA H 559 4.245 4.245 4.119 0.126 19383 1964 1 7 . 1 1 559 559 ARG C C 559 179.052 179.052 175.728 3.324 19383 1965 1 7 . 1 1 559 559 ARG CA C 559 55.773 55.773 56.204 -0.431 19383 1966 1 7 . 1 1 559 559 ARG CB C 559 31.191 31.191 30.005 1.186 19383 1967 1 7 . 1 1 559 559 ARG H H 559 8.007 8.007 7.675 0.332 19383 1968 1 8 . 1 1 508 508 GLN N N 508 120.721 120.721 120.034 0.687 19383 1969 1 8 . 1 1 508 508 GLN HA H 508 4.607 4.607 4.674 -0.067 19383 1970 1 8 . 1 1 508 508 GLN CA C 508 53.627 53.627 54.785 -1.157 19383 1971 1 8 . 1 1 508 508 GLN CB C 508 28.849 28.849 29.342 -0.493 19383 1972 1 8 . 1 1 508 508 GLN H H 508 8.575 8.575 8.759 -0.184 19383 1973 1 8 . 1 1 509 509 PRO HA H 509 4.329 4.329 4.471 -0.142 19383 1974 1 8 . 1 1 509 509 PRO C C 509 177.740 177.740 176.554 1.186 19383 1975 1 8 . 1 1 509 509 PRO CA C 509 63.094 63.094 63.467 -0.373 19383 1976 1 8 . 1 1 509 509 PRO CB C 509 32.083 32.083 32.235 -0.152 19383 1977 1 8 . 1 1 510 510 LYS N N 510 121.228 121.228 115.282 5.946 19383 1978 1 8 . 1 1 510 510 LYS HA H 510 4.233 4.233 4.036 0.197 19383 1979 1 8 . 1 1 510 510 LYS C C 510 177.951 177.951 175.972 1.979 19383 1980 1 8 . 1 1 510 510 LYS CA C 510 55.910 55.910 57.037 -1.127 19383 1981 1 8 . 1 1 510 510 LYS CB C 510 32.985 32.985 30.572 2.413 19383 1982 1 8 . 1 1 510 510 LYS H H 510 8.330 8.330 8.137 0.193 19383 1983 1 8 . 1 1 511 511 CYS N N 511 119.374 119.374 118.712 0.662 19383 1984 1 8 . 1 1 511 511 CYS HA H 511 4.562 4.562 4.280 0.282 19383 1985 1 8 . 1 1 511 511 CYS C C 511 180.885 180.885 174.248 6.637 19383 1986 1 8 . 1 1 511 511 CYS CA C 511 55.085 55.085 59.881 -4.796 19383 1987 1 8 . 1 1 511 511 CYS CB C 511 41.809 41.809 25.399 16.410 19383 1988 1 8 . 1 1 511 511 CYS H H 511 8.284 8.284 8.330 -0.046 19383 1989 1 8 . 1 1 512 512 ASN N N 512 122.292 122.292 122.377 -0.085 19383 1990 1 8 . 1 1 512 512 ASN HA H 512 4.898 4.898 5.051 -0.153 19383 1991 1 8 . 1 1 512 512 ASN CA C 512 50.921 50.921 51.430 -0.509 19383 1992 1 8 . 1 1 512 512 ASN CB C 512 39.105 39.105 39.946 -0.841 19383 1993 1 8 . 1 1 512 512 ASN H H 512 8.614 8.614 8.451 0.163 19383 1994 1 8 . 1 1 513 513 PRO HA H 513 4.294 4.294 4.850 -0.556 19383 1995 1 8 . 1 1 513 513 PRO C C 513 177.920 177.920 176.857 1.063 19383 1996 1 8 . 1 1 513 513 PRO CA C 513 63.373 63.373 64.131 -0.758 19383 1997 1 8 . 1 1 513 513 PRO CB C 513 31.880 31.880 31.827 0.053 19383 1998 1 8 . 1 1 514 514 ASN N N 514 117.476 117.476 115.673 1.803 19383 1999 1 8 . 1 1 514 514 ASN HA H 514 4.557 4.557 4.594 -0.037 19383 2000 1 8 . 1 1 514 514 ASN C C 514 179.369 179.369 175.341 4.028 19383 2001 1 8 . 1 1 514 514 ASN CA C 514 53.454 53.454 54.922 -1.468 19383 2002 1 8 . 1 1 514 514 ASN CB C 514 38.954 38.954 38.675 0.279 19383 2003 1 8 . 1 1 514 514 ASN H H 514 8.285 8.285 8.521 -0.236 19383 2004 1 8 . 1 1 515 515 LEU N N 515 121.054 121.054 122.197 -1.143 19383 2005 1 8 . 1 1 515 515 LEU HA H 515 4.154 4.154 4.481 -0.328 19383 2006 1 8 . 1 1 515 515 LEU C C 515 177.719 177.719 176.100 1.619 19383 2007 1 8 . 1 1 515 515 LEU CA C 515 55.268 55.268 53.324 1.944 19383 2008 1 8 . 1 1 515 515 LEU CB C 515 42.079 42.079 40.090 1.989 19383 2009 1 8 . 1 1 515 515 LEU H H 515 7.770 7.770 7.465 0.305 19383 2010 1 8 . 1 1 516 516 HIS N N 516 117.461 117.461 118.492 -1.031 19383 2011 1 8 . 1 1 516 516 HIS HA H 516 4.451 4.451 4.537 -0.086 19383 2012 1 8 . 1 1 516 516 HIS C C 516 179.871 179.871 175.210 4.661 19383 2013 1 8 . 1 1 516 516 HIS CA C 516 55.414 55.414 56.959 -1.546 19383 2014 1 8 . 1 1 516 516 HIS CB C 516 28.867 28.867 29.543 -0.676 19383 2015 1 8 . 1 1 516 516 HIS H H 516 8.126 8.126 7.248 0.878 19383 2016 1 8 . 1 1 517 517 TYR N N 517 120.302 120.302 118.686 1.616 19383 2017 1 8 . 1 1 517 517 TYR HA H 517 4.222 4.222 4.528 -0.306 19383 2018 1 8 . 1 1 517 517 TYR C C 517 178.883 178.883 177.086 1.797 19383 2019 1 8 . 1 1 517 517 TYR CA C 517 59.410 59.410 61.020 -1.609 19383 2020 1 8 . 1 1 517 517 TYR CB C 517 38.843 38.843 38.383 0.460 19383 2021 1 8 . 1 1 517 517 TYR H H 517 8.101 8.101 7.758 0.343 19383 2022 1 8 . 1 1 518 518 TRP N N 518 118.660 118.660 117.869 0.791 19383 2023 1 8 . 1 1 518 518 TRP HA H 518 4.569 4.569 4.636 -0.067 19383 2024 1 8 . 1 1 518 518 TRP C C 518 178.468 178.468 177.551 0.917 19383 2025 1 8 . 1 1 518 518 TRP CA C 518 57.501 57.501 57.480 0.021 19383 2026 1 8 . 1 1 518 518 TRP CB C 518 29.619 29.619 30.462 -0.843 19383 2027 1 8 . 1 1 518 518 TRP H H 518 7.665 7.665 8.258 -0.593 19383 2028 1 8 . 1 1 519 519 THR N N 519 112.373 112.373 109.224 3.149 19383 2029 1 8 . 1 1 519 519 THR HA H 519 4.351 4.351 3.746 0.605 19383 2030 1 8 . 1 1 519 519 THR C C 519 179.594 179.594 175.076 4.518 19383 2031 1 8 . 1 1 519 519 THR CA C 519 61.654 61.654 64.571 -2.917 19383 2032 1 8 . 1 1 519 519 THR CB C 519 69.859 69.859 67.473 2.386 19383 2033 1 8 . 1 1 519 519 THR H H 519 7.894 7.894 8.085 -0.191 19383 2034 1 8 . 1 1 520 520 THR N N 520 114.438 114.438 116.060 -1.622 19383 2035 1 8 . 1 1 520 520 THR HA H 520 4.256 4.256 4.317 -0.061 19383 2036 1 8 . 1 1 520 520 THR C C 520 179.419 179.419 175.425 3.994 19383 2037 1 8 . 1 1 520 520 THR CA C 520 62.019 62.019 63.744 -1.725 19383 2038 1 8 . 1 1 520 520 THR CB C 520 69.709 69.709 68.751 0.958 19383 2039 1 8 . 1 1 520 520 THR H H 520 7.957 7.957 8.507 -0.550 19383 2040 1 8 . 1 1 521 521 GLN N N 521 121.453 121.453 122.042 -0.589 19383 2041 1 8 . 1 1 521 521 GLN HA H 521 4.175 4.175 4.167 0.008 19383 2042 1 8 . 1 1 521 521 GLN C C 521 178.345 178.345 177.161 1.184 19383 2043 1 8 . 1 1 521 521 GLN CA C 521 56.302 56.302 58.466 -2.164 19383 2044 1 8 . 1 1 521 521 GLN CB C 521 29.118 29.118 28.831 0.287 19383 2045 1 8 . 1 1 521 521 GLN H H 521 8.224 8.224 8.632 -0.408 19383 2046 1 8 . 1 1 522 522 ASP N N 522 120.227 120.227 118.179 2.048 19383 2047 1 8 . 1 1 522 522 ASP HA H 522 4.461 4.461 4.630 -0.169 19383 2048 1 8 . 1 1 522 522 ASP C C 522 177.838 177.838 177.182 0.656 19383 2049 1 8 . 1 1 522 522 ASP CA C 522 54.741 54.741 55.322 -0.580 19383 2050 1 8 . 1 1 522 522 ASP CB C 522 40.847 40.847 41.109 -0.262 19383 2051 1 8 . 1 1 522 522 ASP H H 522 8.155 8.155 7.764 0.391 19383 2052 1 8 . 1 1 523 523 GLU N N 523 120.511 120.511 118.106 2.405 19383 2053 1 8 . 1 1 523 523 GLU HA H 523 4.102 4.102 3.622 0.480 19383 2054 1 8 . 1 1 523 523 GLU C C 523 177.165 177.165 176.700 0.465 19383 2055 1 8 . 1 1 523 523 GLU CA C 523 57.161 57.161 58.068 -0.907 19383 2056 1 8 . 1 1 523 523 GLU CB C 523 29.153 29.153 30.018 -0.865 19383 2057 1 8 . 1 1 523 523 GLU H H 523 8.250 8.250 7.661 0.589 19383 2058 1 8 . 1 1 524 524 GLY N N 524 108.395 108.395 102.453 5.942 19383 2059 1 8 . 1 1 524 524 GLY C C 524 179.999 179.999 173.215 6.784 19383 2060 1 8 . 1 1 524 524 GLY CA C 524 45.791 45.791 44.548 1.243 19383 2061 1 8 . 1 1 524 524 GLY H H 524 8.308 8.308 7.337 0.971 19383 2062 1 8 . 1 1 525 525 ALA N N 525 123.026 123.026 123.610 -0.584 19383 2063 1 8 . 1 1 525 525 ALA HA H 525 4.139 4.139 4.599 -0.460 19383 2064 1 8 . 1 1 525 525 ALA C C 525 176.642 176.642 177.372 -0.730 19383 2065 1 8 . 1 1 525 525 ALA CA C 525 52.706 52.706 52.613 0.093 19383 2066 1 8 . 1 1 525 525 ALA CB C 525 19.148 19.148 19.965 -0.817 19383 2067 1 8 . 1 1 525 525 ALA H H 525 7.884 7.884 7.691 0.193 19383 2068 1 8 . 1 1 526 526 ALA N N 526 121.593 121.593 121.789 -0.196 19383 2069 1 8 . 1 1 526 526 ALA HA H 526 4.164 4.164 4.710 -0.546 19383 2070 1 8 . 1 1 526 526 ALA C C 526 176.320 176.320 177.246 -0.926 19383 2071 1 8 . 1 1 526 526 ALA CA C 526 52.788 52.788 52.181 0.607 19383 2072 1 8 . 1 1 526 526 ALA CB C 526 19.055 19.055 19.788 -0.734 19383 2073 1 8 . 1 1 526 526 ALA H H 526 8.027 8.027 7.624 0.403 19383 2074 1 8 . 1 1 527 527 ILE N N 527 117.907 117.907 114.581 3.326 19383 2075 1 8 . 1 1 527 527 ILE HA H 527 3.874 3.874 4.268 -0.394 19383 2076 1 8 . 1 1 527 527 ILE C C 527 177.983 177.983 177.470 0.513 19383 2077 1 8 . 1 1 527 527 ILE CA C 527 61.894 61.894 60.317 1.577 19383 2078 1 8 . 1 1 527 527 ILE CB C 527 38.485 38.485 37.372 1.113 19383 2079 1 8 . 1 1 527 527 ILE H H 527 7.913 7.913 7.521 0.392 19383 2080 1 8 . 1 1 528 528 GLY N N 528 109.328 109.328 109.462 -0.134 19383 2081 1 8 . 1 1 528 528 GLY C C 528 180.040 180.040 175.423 4.617 19383 2082 1 8 . 1 1 528 528 GLY CA C 528 45.877 45.877 47.233 -1.356 19383 2083 1 8 . 1 1 528 528 GLY H H 528 8.045 8.045 8.655 -0.610 19383 2084 1 8 . 1 1 529 529 LEU N N 529 119.297 119.297 115.204 4.093 19383 2085 1 8 . 1 1 529 529 LEU HA H 529 4.076 4.076 4.579 -0.503 19383 2086 1 8 . 1 1 529 529 LEU C C 529 177.413 177.413 177.063 0.350 19383 2087 1 8 . 1 1 529 529 LEU CA C 529 55.759 55.759 55.805 -0.046 19383 2088 1 8 . 1 1 529 529 LEU CB C 529 42.321 42.321 42.278 0.043 19383 2089 1 8 . 1 1 529 529 LEU H H 529 8.083 8.083 7.455 0.628 19383 2090 1 8 . 1 1 530 530 ALA N N 530 120.355 120.355 118.930 1.425 19383 2091 1 8 . 1 1 530 530 ALA HA H 530 4.035 4.035 4.525 -0.490 19383 2092 1 8 . 1 1 530 530 ALA C C 530 177.142 177.142 178.525 -1.383 19383 2093 1 8 . 1 1 530 530 ALA CA C 530 53.814 53.814 51.541 2.273 19383 2094 1 8 . 1 1 530 530 ALA CB C 530 18.780 18.780 19.670 -0.890 19383 2095 1 8 . 1 1 530 530 ALA H H 530 8.015 8.015 7.727 0.288 19383 2096 1 8 . 1 1 531 531 TRP N N 531 114.575 114.575 123.358 -8.783 19383 2097 1 8 . 1 1 531 531 TRP HA H 531 4.589 4.589 4.556 0.033 19383 2098 1 8 . 1 1 531 531 TRP C C 531 177.968 177.968 174.730 3.238 19383 2099 1 8 . 1 1 531 531 TRP CA C 531 56.378 56.378 58.022 -1.644 19383 2100 1 8 . 1 1 531 531 TRP CB C 531 29.409 29.409 28.761 0.648 19383 2101 1 8 . 1 1 531 531 TRP H H 531 7.398 7.398 8.678 -1.280 19383 2102 1 8 . 1 1 532 532 ILE N N 532 121.501 121.501 113.654 7.847 19383 2103 1 8 . 1 1 532 532 ILE HA H 532 3.768 3.768 4.533 -0.765 19383 2104 1 8 . 1 1 532 532 ILE CA C 532 63.813 63.813 57.912 5.901 19383 2105 1 8 . 1 1 532 532 ILE H H 532 7.197 7.197 7.744 -0.547 19383 2106 1 8 . 1 1 533 533 PRO HA H 533 4.169 4.169 4.376 -0.207 19383 2107 1 8 . 1 1 533 533 PRO CA C 533 64.431 64.431 63.595 0.836 19383 2108 1 8 . 1 1 533 533 PRO CB C 533 32.238 32.238 30.741 1.498 19383 2109 1 8 . 1 1 534 534 TYR HA H 534 4.086 4.086 4.403 -0.317 19383 2110 1 8 . 1 1 534 534 TYR CA C 534 60.819 60.819 59.983 0.836 19383 2111 1 8 . 1 1 534 534 TYR CB C 534 38.437 38.437 39.032 -0.595 19383 2112 1 8 . 1 1 534 534 TYR H H 534 8.066 8.066 8.061 0.005 19383 2113 1 8 . 1 1 535 535 PHE HA H 535 4.316 4.316 4.268 0.048 19383 2114 1 8 . 1 1 535 535 PHE C C 535 175.669 175.669 176.551 -0.882 19383 2115 1 8 . 1 1 535 535 PHE CA C 535 58.885 58.885 59.915 -1.030 19383 2116 1 8 . 1 1 535 535 PHE CB C 535 40.304 40.304 39.400 0.904 19383 2117 1 8 . 1 1 535 535 PHE H H 535 8.123 8.123 8.398 -0.275 19383 2118 1 8 . 1 1 536 536 GLY N N 536 107.103 107.103 105.765 1.338 19383 2119 1 8 . 1 1 536 536 GLY CA C 536 46.510 46.510 44.799 1.711 19383 2120 1 8 . 1 1 536 536 GLY H H 536 8.031 8.031 7.895 0.136 19383 2121 1 8 . 1 1 537 537 PRO HA H 537 4.210 4.210 4.524 -0.314 19383 2122 1 8 . 1 1 537 537 PRO C C 537 175.183 175.183 176.419 -1.236 19383 2123 1 8 . 1 1 537 537 PRO CA C 537 64.563 64.563 62.647 1.916 19383 2124 1 8 . 1 1 537 537 PRO CB C 537 31.618 31.618 31.811 -0.193 19383 2125 1 8 . 1 1 538 538 ALA N N 538 120.228 120.228 121.394 -1.166 19383 2126 1 8 . 1 1 538 538 ALA HA H 538 4.095 4.095 4.068 0.027 19383 2127 1 8 . 1 1 538 538 ALA C C 538 175.268 175.268 178.726 -3.458 19383 2128 1 8 . 1 1 538 538 ALA CA C 538 54.373 54.373 54.189 0.184 19383 2129 1 8 . 1 1 538 538 ALA CB C 538 18.694 18.694 18.642 0.052 19383 2130 1 8 . 1 1 538 538 ALA H H 538 7.799 7.799 8.263 -0.464 19383 2131 1 8 . 1 1 539 539 ALA N N 539 120.412 120.412 119.385 1.027 19383 2132 1 8 . 1 1 539 539 ALA HA H 539 3.883 3.883 4.042 -0.159 19383 2133 1 8 . 1 1 539 539 ALA C C 539 175.516 175.516 179.600 -4.084 19383 2134 1 8 . 1 1 539 539 ALA CA C 539 54.526 54.526 54.592 -0.066 19383 2135 1 8 . 1 1 539 539 ALA CB C 539 18.780 18.780 16.995 1.785 19383 2136 1 8 . 1 1 539 539 ALA H H 539 8.208 8.208 8.358 -0.150 19383 2137 1 8 . 1 1 540 540 GLU N N 540 116.209 116.209 119.893 -3.684 19383 2138 1 8 . 1 1 540 540 GLU HA H 540 3.933 3.933 3.960 -0.027 19383 2139 1 8 . 1 1 540 540 GLU C C 540 176.525 176.525 177.533 -1.008 19383 2140 1 8 . 1 1 540 540 GLU CA C 540 58.522 58.522 59.448 -0.926 19383 2141 1 8 . 1 1 540 540 GLU CB C 540 28.907 28.907 29.485 -0.578 19383 2142 1 8 . 1 1 540 540 GLU H H 540 8.162 8.162 8.600 -0.438 19383 2143 1 8 . 1 1 541 541 GLY N N 541 107.297 107.297 103.572 3.725 19383 2144 1 8 . 1 1 541 541 GLY C C 541 178.784 178.784 174.839 3.945 19383 2145 1 8 . 1 1 541 541 GLY CA C 541 45.692 45.692 45.014 0.678 19383 2146 1 8 . 1 1 541 541 GLY H H 541 8.033 8.033 8.304 -0.271 19383 2147 1 8 . 1 1 542 542 ILE N N 542 121.066 121.066 116.677 4.389 19383 2148 1 8 . 1 1 542 542 ILE HA H 542 3.765 3.765 4.011 -0.246 19383 2149 1 8 . 1 1 542 542 ILE C C 542 176.804 176.804 175.646 1.158 19383 2150 1 8 . 1 1 542 542 ILE CA C 542 63.871 63.871 61.856 2.015 19383 2151 1 8 . 1 1 542 542 ILE CB C 542 38.075 38.075 37.640 0.435 19383 2152 1 8 . 1 1 542 542 ILE H H 542 7.870 7.870 7.418 0.452 19383 2153 1 8 . 1 1 543 543 TYR N N 543 120.347 120.347 119.332 1.015 19383 2154 1 8 . 1 1 543 543 TYR HA H 543 4.144 4.144 4.537 -0.393 19383 2155 1 8 . 1 1 543 543 TYR C C 543 179.780 179.780 175.652 4.128 19383 2156 1 8 . 1 1 543 543 TYR CA C 543 60.629 60.629 58.573 2.056 19383 2157 1 8 . 1 1 543 543 TYR CB C 543 38.425 38.425 40.323 -1.898 19383 2158 1 8 . 1 1 543 543 TYR H H 543 8.066 8.066 8.139 -0.073 19383 2159 1 8 . 1 1 544 544 ALA N N 544 119.787 119.787 121.938 -2.151 19383 2160 1 8 . 1 1 544 544 ALA HA H 544 3.926 3.926 4.316 -0.390 19383 2161 1 8 . 1 1 544 544 ALA C C 544 175.014 175.014 177.561 -2.547 19383 2162 1 8 . 1 1 544 544 ALA CA C 544 54.262 54.262 53.789 0.473 19383 2163 1 8 . 1 1 544 544 ALA CB C 544 18.991 18.991 19.611 -0.620 19383 2164 1 8 . 1 1 544 544 ALA H H 544 7.910 7.910 8.212 -0.302 19383 2165 1 8 . 1 1 545 545 GLU N N 545 115.906 115.906 118.297 -2.391 19383 2166 1 8 . 1 1 545 545 GLU HA H 545 4.056 4.056 4.369 -0.313 19383 2167 1 8 . 1 1 545 545 GLU C C 545 176.541 176.541 177.632 -1.091 19383 2168 1 8 . 1 1 545 545 GLU CA C 545 56.978 56.978 55.894 1.084 19383 2169 1 8 . 1 1 545 545 GLU CB C 545 29.625 29.625 31.079 -1.454 19383 2170 1 8 . 1 1 545 545 GLU H H 545 7.866 7.866 7.457 0.409 19383 2171 1 8 . 1 1 546 546 GLY N N 546 107.293 107.293 109.269 -1.976 19383 2172 1 8 . 1 1 546 546 GLY C C 546 180.358 180.358 174.330 6.028 19383 2173 1 8 . 1 1 546 546 GLY CA C 546 45.645 45.645 46.844 -1.199 19383 2174 1 8 . 1 1 546 546 GLY H H 546 8.019 8.019 8.359 -0.340 19383 2175 1 8 . 1 1 547 547 LEU N N 547 121.469 121.469 114.500 6.969 19383 2176 1 8 . 1 1 547 547 LEU HA H 547 4.147 4.147 4.499 -0.352 19383 2177 1 8 . 1 1 547 547 LEU C C 547 176.730 176.730 176.486 0.244 19383 2178 1 8 . 1 1 547 547 LEU CA C 547 55.851 55.851 56.360 -0.509 19383 2179 1 8 . 1 1 547 547 LEU CB C 547 42.514 42.514 41.733 0.780 19383 2180 1 8 . 1 1 547 547 LEU H H 547 7.892 7.892 7.622 0.270 19383 2181 1 8 . 1 1 548 548 MET N N 548 116.092 116.092 119.398 -3.306 19383 2182 1 8 . 1 1 548 548 MET HA H 548 4.218 4.218 4.471 -0.253 19383 2183 1 8 . 1 1 548 548 MET C C 548 177.832 177.832 176.949 0.883 19383 2184 1 8 . 1 1 548 548 MET CA C 548 55.861 55.861 56.064 -0.203 19383 2185 1 8 . 1 1 548 548 MET CB C 548 32.338 32.338 32.552 -0.214 19383 2186 1 8 . 1 1 548 548 MET H H 548 7.995 7.995 8.128 -0.133 19383 2187 1 8 . 1 1 549 549 HIS N N 549 116.959 116.959 117.955 -0.996 19383 2188 1 8 . 1 1 549 549 HIS HA H 549 4.577 4.577 4.387 0.190 19383 2189 1 8 . 1 1 549 549 HIS C C 549 179.852 179.852 175.043 4.809 19383 2190 1 8 . 1 1 549 549 HIS CA C 549 55.656 55.656 58.114 -2.458 19383 2191 1 8 . 1 1 549 549 HIS CB C 549 28.847 28.847 29.757 -0.910 19383 2192 1 8 . 1 1 549 549 HIS H H 549 8.074 8.074 8.564 -0.490 19383 2193 1 8 . 1 1 550 550 ASN N N 550 118.599 118.599 116.962 1.637 19383 2194 1 8 . 1 1 550 550 ASN HA H 550 4.611 4.611 4.606 0.005 19383 2195 1 8 . 1 1 550 550 ASN C C 550 178.753 178.753 174.634 4.119 19383 2196 1 8 . 1 1 550 550 ASN CA C 550 53.651 53.651 54.478 -0.827 19383 2197 1 8 . 1 1 550 550 ASN CB C 550 38.884 38.884 40.140 -1.256 19383 2198 1 8 . 1 1 550 550 ASN H H 550 8.235 8.235 7.650 0.585 19383 2199 1 8 . 1 1 551 551 GLN N N 551 119.902 119.902 120.053 -0.151 19383 2200 1 8 . 1 1 551 551 GLN HA H 551 4.203 4.203 4.054 0.149 19383 2201 1 8 . 1 1 551 551 GLN C C 551 178.390 178.390 175.639 2.751 19383 2202 1 8 . 1 1 551 551 GLN CA C 551 56.276 56.276 56.611 -0.335 19383 2203 1 8 . 1 1 551 551 GLN CB C 551 28.931 28.931 26.689 2.241 19383 2204 1 8 . 1 1 551 551 GLN H H 551 8.359 8.359 8.419 -0.060 19383 2205 1 8 . 1 1 552 552 ASP N N 552 119.524 119.524 118.058 1.466 19383 2206 1 8 . 1 1 552 552 ASP HA H 552 4.448 4.448 4.856 -0.408 19383 2207 1 8 . 1 1 552 552 ASP C C 552 177.522 177.522 177.297 0.225 19383 2208 1 8 . 1 1 552 552 ASP CA C 552 54.856 54.856 52.454 2.402 19383 2209 1 8 . 1 1 552 552 ASP CB C 552 40.814 40.814 40.712 0.102 19383 2210 1 8 . 1 1 552 552 ASP H H 552 8.190 8.190 8.520 -0.330 19383 2211 1 8 . 1 1 553 553 GLY N N 553 108.043 108.043 107.028 1.015 19383 2212 1 8 . 1 1 553 553 GLY C C 553 179.757 179.757 175.278 4.479 19383 2213 1 8 . 1 1 553 553 GLY CA C 553 45.626 45.626 45.377 0.249 19383 2214 1 8 . 1 1 553 553 GLY H H 553 8.130 8.130 8.123 0.007 19383 2215 1 8 . 1 1 554 554 LEU N N 554 121.485 121.485 121.495 -0.010 19383 2216 1 8 . 1 1 554 554 LEU HA H 554 4.168 4.168 4.087 0.081 19383 2217 1 8 . 1 1 554 554 LEU C C 554 176.732 176.732 178.189 -1.457 19383 2218 1 8 . 1 1 554 554 LEU CA C 554 56.145 56.145 58.046 -1.901 19383 2219 1 8 . 1 1 554 554 LEU CB C 554 42.513 42.513 41.502 1.011 19383 2220 1 8 . 1 1 554 554 LEU H H 554 8.081 8.081 7.510 0.571 19383 2221 1 8 . 1 1 555 555 ILE N N 555 117.390 117.390 119.653 -2.263 19383 2222 1 8 . 1 1 555 555 ILE HA H 555 3.954 3.954 4.108 -0.154 19383 2223 1 8 . 1 1 555 555 ILE C C 555 178.242 178.242 176.540 1.702 19383 2224 1 8 . 1 1 555 555 ILE CA C 555 61.929 61.929 59.546 2.383 19383 2225 1 8 . 1 1 555 555 ILE CB C 555 38.317 38.317 34.630 3.687 19383 2226 1 8 . 1 1 555 555 ILE H H 555 7.976 7.976 8.040 -0.064 19383 2227 1 8 . 1 1 556 556 CYS N N 556 119.495 119.495 122.197 -2.702 19383 2228 1 8 . 1 1 556 556 CYS HA H 556 4.411 4.411 4.241 0.170 19383 2229 1 8 . 1 1 556 556 CYS C C 556 178.872 178.872 176.987 1.885 19383 2230 1 8 . 1 1 556 556 CYS CA C 556 56.233 56.233 61.441 -5.208 19383 2231 1 8 . 1 1 556 556 CYS CB C 556 41.438 41.438 26.532 14.906 19383 2232 1 8 . 1 1 556 556 CYS H H 556 8.214 8.214 8.356 -0.142 19383 2233 1 8 . 1 1 557 557 GLY N N 557 108.419 108.419 109.481 -1.062 19383 2234 1 8 . 1 1 557 557 GLY C C 557 180.393 180.393 175.290 5.103 19383 2235 1 8 . 1 1 557 557 GLY CA C 557 45.701 45.701 46.501 -0.800 19383 2236 1 8 . 1 1 557 557 GLY H H 557 8.141 8.141 8.651 -0.510 19383 2237 1 8 . 1 1 558 558 LEU N N 558 120.318 120.318 118.039 2.279 19383 2238 1 8 . 1 1 558 558 LEU HA H 558 4.237 4.237 4.181 0.056 19383 2239 1 8 . 1 1 558 558 LEU C C 558 177.398 177.398 177.455 -0.057 19383 2240 1 8 . 1 1 558 558 LEU CA C 558 55.730 55.730 56.142 -0.412 19383 2241 1 8 . 1 1 558 558 LEU CB C 558 42.585 42.585 41.914 0.671 19383 2242 1 8 . 1 1 558 558 LEU H H 558 7.837 7.837 7.361 0.476 19383 2243 1 8 . 1 1 559 559 ARG N N 559 119.828 119.828 116.503 3.325 19383 2244 1 8 . 1 1 559 559 ARG HA H 559 4.245 4.245 3.930 0.315 19383 2245 1 8 . 1 1 559 559 ARG C C 559 179.052 179.052 176.045 3.007 19383 2246 1 8 . 1 1 559 559 ARG CA C 559 55.773 55.773 56.776 -1.003 19383 2247 1 8 . 1 1 559 559 ARG CB C 559 31.191 31.191 28.268 2.923 19383 2248 1 8 . 1 1 559 559 ARG H H 559 8.007 8.007 7.648 0.359 19383 2249 1 9 . 1 1 508 508 GLN N N 508 120.721 120.721 120.274 0.447 19383 2250 1 9 . 1 1 508 508 GLN HA H 508 4.607 4.607 4.717 -0.110 19383 2251 1 9 . 1 1 508 508 GLN CA C 508 53.627 53.627 54.329 -0.702 19383 2252 1 9 . 1 1 508 508 GLN CB C 508 28.849 28.849 28.883 -0.034 19383 2253 1 9 . 1 1 508 508 GLN H H 508 8.575 8.575 8.533 0.042 19383 2254 1 9 . 1 1 509 509 PRO HA H 509 4.329 4.329 4.337 -0.008 19383 2255 1 9 . 1 1 509 509 PRO C C 509 177.740 177.740 177.399 0.341 19383 2256 1 9 . 1 1 509 509 PRO CA C 509 63.094 63.094 64.025 -0.931 19383 2257 1 9 . 1 1 509 509 PRO CB C 509 32.083 32.083 32.618 -0.535 19383 2258 1 9 . 1 1 510 510 LYS N N 510 121.228 121.228 114.125 7.103 19383 2259 1 9 . 1 1 510 510 LYS HA H 510 4.233 4.233 4.300 -0.067 19383 2260 1 9 . 1 1 510 510 LYS C C 510 177.951 177.951 175.594 2.357 19383 2261 1 9 . 1 1 510 510 LYS CA C 510 55.910 55.910 56.518 -0.608 19383 2262 1 9 . 1 1 510 510 LYS CB C 510 32.985 32.985 32.628 0.357 19383 2263 1 9 . 1 1 510 510 LYS H H 510 8.330 8.330 8.446 -0.116 19383 2264 1 9 . 1 1 511 511 CYS N N 511 119.374 119.374 120.113 -0.739 19383 2265 1 9 . 1 1 511 511 CYS HA H 511 4.562 4.562 4.242 0.320 19383 2266 1 9 . 1 1 511 511 CYS C C 511 180.885 180.885 174.442 6.443 19383 2267 1 9 . 1 1 511 511 CYS CA C 511 55.085 55.085 59.863 -4.778 19383 2268 1 9 . 1 1 511 511 CYS CB C 511 41.809 41.809 25.451 16.358 19383 2269 1 9 . 1 1 511 511 CYS H H 511 8.284 8.284 8.405 -0.121 19383 2270 1 9 . 1 1 512 512 ASN N N 512 122.292 122.292 119.248 3.044 19383 2271 1 9 . 1 1 512 512 ASN HA H 512 4.898 4.898 4.983 -0.085 19383 2272 1 9 . 1 1 512 512 ASN CA C 512 50.921 50.921 51.330 -0.409 19383 2273 1 9 . 1 1 512 512 ASN CB C 512 39.105 39.105 40.929 -1.824 19383 2274 1 9 . 1 1 512 512 ASN H H 512 8.614 8.614 8.307 0.307 19383 2275 1 9 . 1 1 513 513 PRO HA H 513 4.294 4.294 4.639 -0.345 19383 2276 1 9 . 1 1 513 513 PRO C C 513 177.920 177.920 176.061 1.859 19383 2277 1 9 . 1 1 513 513 PRO CA C 513 63.373 63.373 63.644 -0.271 19383 2278 1 9 . 1 1 513 513 PRO CB C 513 31.880 31.880 31.787 0.093 19383 2279 1 9 . 1 1 514 514 ASN N N 514 117.476 117.476 116.370 1.106 19383 2280 1 9 . 1 1 514 514 ASN HA H 514 4.557 4.557 4.753 -0.196 19383 2281 1 9 . 1 1 514 514 ASN C C 514 179.369 179.369 175.541 3.828 19383 2282 1 9 . 1 1 514 514 ASN CA C 514 53.454 53.454 53.649 -0.195 19383 2283 1 9 . 1 1 514 514 ASN CB C 514 38.954 38.954 39.453 -0.499 19383 2284 1 9 . 1 1 514 514 ASN H H 514 8.285 8.285 8.122 0.163 19383 2285 1 9 . 1 1 515 515 LEU N N 515 121.054 121.054 123.232 -2.178 19383 2286 1 9 . 1 1 515 515 LEU HA H 515 4.154 4.154 4.527 -0.373 19383 2287 1 9 . 1 1 515 515 LEU C C 515 177.719 177.719 176.029 1.690 19383 2288 1 9 . 1 1 515 515 LEU CA C 515 55.268 55.268 53.990 1.278 19383 2289 1 9 . 1 1 515 515 LEU CB C 515 42.079 42.079 40.116 1.963 19383 2290 1 9 . 1 1 515 515 LEU H H 515 7.770 7.770 7.494 0.276 19383 2291 1 9 . 1 1 516 516 HIS N N 516 117.461 117.461 118.914 -1.453 19383 2292 1 9 . 1 1 516 516 HIS HA H 516 4.451 4.451 4.334 0.117 19383 2293 1 9 . 1 1 516 516 HIS C C 516 179.871 179.871 175.446 4.425 19383 2294 1 9 . 1 1 516 516 HIS CA C 516 55.414 55.414 56.865 -1.451 19383 2295 1 9 . 1 1 516 516 HIS CB C 516 28.867 28.867 29.868 -1.001 19383 2296 1 9 . 1 1 516 516 HIS H H 516 8.126 8.126 7.548 0.578 19383 2297 1 9 . 1 1 517 517 TYR N N 517 120.302 120.302 118.651 1.651 19383 2298 1 9 . 1 1 517 517 TYR HA H 517 4.222 4.222 4.094 0.128 19383 2299 1 9 . 1 1 517 517 TYR C C 517 178.883 178.883 176.232 2.651 19383 2300 1 9 . 1 1 517 517 TYR CA C 517 59.410 59.410 60.212 -0.802 19383 2301 1 9 . 1 1 517 517 TYR CB C 517 38.843 38.843 37.984 0.859 19383 2302 1 9 . 1 1 517 517 TYR H H 517 8.101 8.101 7.658 0.443 19383 2303 1 9 . 1 1 518 518 TRP N N 518 118.660 118.660 115.988 2.672 19383 2304 1 9 . 1 1 518 518 TRP HA H 518 4.569 4.569 4.999 -0.430 19383 2305 1 9 . 1 1 518 518 TRP C C 518 178.468 178.468 177.354 1.114 19383 2306 1 9 . 1 1 518 518 TRP CA C 518 57.501 57.501 57.336 0.165 19383 2307 1 9 . 1 1 518 518 TRP CB C 518 29.619 29.619 31.347 -1.728 19383 2308 1 9 . 1 1 518 518 TRP H H 518 7.665 7.665 8.071 -0.406 19383 2309 1 9 . 1 1 519 519 THR N N 519 112.373 112.373 111.455 0.918 19383 2310 1 9 . 1 1 519 519 THR HA H 519 4.351 4.351 3.774 0.577 19383 2311 1 9 . 1 1 519 519 THR C C 519 179.594 179.594 175.250 4.344 19383 2312 1 9 . 1 1 519 519 THR CA C 519 61.654 61.654 65.450 -3.796 19383 2313 1 9 . 1 1 519 519 THR CB C 519 69.859 69.859 67.340 2.519 19383 2314 1 9 . 1 1 519 519 THR H H 519 7.894 7.894 7.913 -0.019 19383 2315 1 9 . 1 1 520 520 THR N N 520 114.438 114.438 116.883 -2.445 19383 2316 1 9 . 1 1 520 520 THR HA H 520 4.256 4.256 4.396 -0.140 19383 2317 1 9 . 1 1 520 520 THR C C 520 179.419 179.419 176.147 3.272 19383 2318 1 9 . 1 1 520 520 THR CA C 520 62.019 62.019 64.198 -2.179 19383 2319 1 9 . 1 1 520 520 THR CB C 520 69.709 69.709 68.672 1.037 19383 2320 1 9 . 1 1 520 520 THR H H 520 7.957 7.957 8.706 -0.749 19383 2321 1 9 . 1 1 521 521 GLN N N 521 121.453 121.453 122.274 -0.821 19383 2322 1 9 . 1 1 521 521 GLN HA H 521 4.175 4.175 4.241 -0.066 19383 2323 1 9 . 1 1 521 521 GLN C C 521 178.345 178.345 176.911 1.434 19383 2324 1 9 . 1 1 521 521 GLN CA C 521 56.302 56.302 58.411 -2.109 19383 2325 1 9 . 1 1 521 521 GLN CB C 521 29.118 29.118 28.695 0.423 19383 2326 1 9 . 1 1 521 521 GLN H H 521 8.224 8.224 8.679 -0.455 19383 2327 1 9 . 1 1 522 522 ASP N N 522 120.227 120.227 117.114 3.113 19383 2328 1 9 . 1 1 522 522 ASP HA H 522 4.461 4.461 4.793 -0.332 19383 2329 1 9 . 1 1 522 522 ASP C C 522 177.838 177.838 177.326 0.512 19383 2330 1 9 . 1 1 522 522 ASP CA C 522 54.741 54.741 54.522 0.220 19383 2331 1 9 . 1 1 522 522 ASP CB C 522 40.847 40.847 40.851 -0.004 19383 2332 1 9 . 1 1 522 522 ASP H H 522 8.155 8.155 7.871 0.284 19383 2333 1 9 . 1 1 523 523 GLU N N 523 120.511 120.511 119.473 1.038 19383 2334 1 9 . 1 1 523 523 GLU HA H 523 4.102 4.102 4.227 -0.125 19383 2335 1 9 . 1 1 523 523 GLU C C 523 177.165 177.165 177.368 -0.203 19383 2336 1 9 . 1 1 523 523 GLU CA C 523 57.161 57.161 58.071 -0.910 19383 2337 1 9 . 1 1 523 523 GLU CB C 523 29.153 29.153 29.321 -0.168 19383 2338 1 9 . 1 1 523 523 GLU H H 523 8.250 8.250 7.919 0.331 19383 2339 1 9 . 1 1 524 524 GLY N N 524 108.395 108.395 105.455 2.940 19383 2340 1 9 . 1 1 524 524 GLY C C 524 179.999 179.999 173.616 6.383 19383 2341 1 9 . 1 1 524 524 GLY CA C 524 45.791 45.791 44.749 1.042 19383 2342 1 9 . 1 1 524 524 GLY H H 524 8.308 8.308 7.773 0.535 19383 2343 1 9 . 1 1 525 525 ALA N N 525 123.026 123.026 123.448 -0.422 19383 2344 1 9 . 1 1 525 525 ALA HA H 525 4.139 4.139 4.417 -0.278 19383 2345 1 9 . 1 1 525 525 ALA C C 525 176.642 176.642 177.271 -0.629 19383 2346 1 9 . 1 1 525 525 ALA CA C 525 52.706 52.706 52.764 -0.058 19383 2347 1 9 . 1 1 525 525 ALA CB C 525 19.148 19.148 20.370 -1.222 19383 2348 1 9 . 1 1 525 525 ALA H H 525 7.884 7.884 7.707 0.177 19383 2349 1 9 . 1 1 526 526 ALA N N 526 121.593 121.593 121.502 0.091 19383 2350 1 9 . 1 1 526 526 ALA HA H 526 4.164 4.164 4.779 -0.615 19383 2351 1 9 . 1 1 526 526 ALA C C 526 176.320 176.320 176.440 -0.120 19383 2352 1 9 . 1 1 526 526 ALA CA C 526 52.788 52.788 51.912 0.876 19383 2353 1 9 . 1 1 526 526 ALA CB C 526 19.055 19.055 19.963 -0.908 19383 2354 1 9 . 1 1 526 526 ALA H H 526 8.027 8.027 7.953 0.074 19383 2355 1 9 . 1 1 527 527 ILE N N 527 117.907 117.907 113.403 4.504 19383 2356 1 9 . 1 1 527 527 ILE HA H 527 3.874 3.874 4.356 -0.481 19383 2357 1 9 . 1 1 527 527 ILE C C 527 177.983 177.983 177.424 0.559 19383 2358 1 9 . 1 1 527 527 ILE CA C 527 61.894 61.894 60.391 1.504 19383 2359 1 9 . 1 1 527 527 ILE CB C 527 38.485 38.485 38.160 0.325 19383 2360 1 9 . 1 1 527 527 ILE H H 527 7.913 7.913 7.640 0.273 19383 2361 1 9 . 1 1 528 528 GLY N N 528 109.328 109.328 108.839 0.489 19383 2362 1 9 . 1 1 528 528 GLY C C 528 180.040 180.040 175.371 4.669 19383 2363 1 9 . 1 1 528 528 GLY CA C 528 45.877 45.877 46.945 -1.068 19383 2364 1 9 . 1 1 528 528 GLY H H 528 8.045 8.045 8.552 -0.507 19383 2365 1 9 . 1 1 529 529 LEU N N 529 119.297 119.297 115.998 3.299 19383 2366 1 9 . 1 1 529 529 LEU HA H 529 4.076 4.076 4.597 -0.521 19383 2367 1 9 . 1 1 529 529 LEU C C 529 177.413 177.413 177.420 -0.007 19383 2368 1 9 . 1 1 529 529 LEU CA C 529 55.759 55.759 56.017 -0.258 19383 2369 1 9 . 1 1 529 529 LEU CB C 529 42.321 42.321 42.154 0.167 19383 2370 1 9 . 1 1 529 529 LEU H H 529 8.083 8.083 7.557 0.526 19383 2371 1 9 . 1 1 530 530 ALA N N 530 120.355 120.355 118.855 1.500 19383 2372 1 9 . 1 1 530 530 ALA HA H 530 4.035 4.035 4.440 -0.405 19383 2373 1 9 . 1 1 530 530 ALA C C 530 177.142 177.142 177.554 -0.412 19383 2374 1 9 . 1 1 530 530 ALA CA C 530 53.814 53.814 51.573 2.241 19383 2375 1 9 . 1 1 530 530 ALA CB C 530 18.780 18.780 19.042 -0.262 19383 2376 1 9 . 1 1 530 530 ALA H H 530 8.015 8.015 7.624 0.391 19383 2377 1 9 . 1 1 531 531 TRP N N 531 114.575 114.575 120.036 -5.461 19383 2378 1 9 . 1 1 531 531 TRP HA H 531 4.589 4.589 4.546 0.043 19383 2379 1 9 . 1 1 531 531 TRP C C 531 177.968 177.968 175.511 2.457 19383 2380 1 9 . 1 1 531 531 TRP CA C 531 56.378 56.378 59.010 -2.632 19383 2381 1 9 . 1 1 531 531 TRP CB C 531 29.409 29.409 30.058 -0.649 19383 2382 1 9 . 1 1 531 531 TRP H H 531 7.398 7.398 8.138 -0.740 19383 2383 1 9 . 1 1 532 532 ILE N N 532 121.501 121.501 112.190 9.311 19383 2384 1 9 . 1 1 532 532 ILE HA H 532 3.768 3.768 4.538 -0.770 19383 2385 1 9 . 1 1 532 532 ILE CA C 532 63.813 63.813 57.417 6.396 19383 2386 1 9 . 1 1 532 532 ILE H H 532 7.197 7.197 7.252 -0.055 19383 2387 1 9 . 1 1 533 533 PRO HA H 533 4.169 4.169 4.255 -0.086 19383 2388 1 9 . 1 1 533 533 PRO CA C 533 64.431 64.431 63.615 0.816 19383 2389 1 9 . 1 1 533 533 PRO CB C 533 32.238 32.238 30.840 1.398 19383 2390 1 9 . 1 1 534 534 TYR HA H 534 4.086 4.086 4.487 -0.401 19383 2391 1 9 . 1 1 534 534 TYR CA C 534 60.819 60.819 58.670 2.149 19383 2392 1 9 . 1 1 534 534 TYR CB C 534 38.437 38.437 38.867 -0.430 19383 2393 1 9 . 1 1 534 534 TYR H H 534 8.066 8.066 8.065 0.001 19383 2394 1 9 . 1 1 535 535 PHE HA H 535 4.316 4.316 4.358 -0.042 19383 2395 1 9 . 1 1 535 535 PHE C C 535 175.669 175.669 176.397 -0.728 19383 2396 1 9 . 1 1 535 535 PHE CA C 535 58.885 58.885 59.114 -0.229 19383 2397 1 9 . 1 1 535 535 PHE CB C 535 40.304 40.304 39.594 0.710 19383 2398 1 9 . 1 1 535 535 PHE H H 535 8.123 8.123 7.912 0.211 19383 2399 1 9 . 1 1 536 536 GLY N N 536 107.103 107.103 105.638 1.465 19383 2400 1 9 . 1 1 536 536 GLY CA C 536 46.510 46.510 44.718 1.792 19383 2401 1 9 . 1 1 536 536 GLY H H 536 8.031 8.031 7.913 0.118 19383 2402 1 9 . 1 1 537 537 PRO HA H 537 4.210 4.210 4.678 -0.468 19383 2403 1 9 . 1 1 537 537 PRO C C 537 175.183 175.183 176.878 -1.695 19383 2404 1 9 . 1 1 537 537 PRO CA C 537 64.563 64.563 62.086 2.477 19383 2405 1 9 . 1 1 537 537 PRO CB C 537 31.618 31.618 32.169 -0.551 19383 2406 1 9 . 1 1 538 538 ALA N N 538 120.228 120.228 122.239 -2.011 19383 2407 1 9 . 1 1 538 538 ALA HA H 538 4.095 4.095 3.927 0.168 19383 2408 1 9 . 1 1 538 538 ALA C C 538 175.268 175.268 178.111 -2.843 19383 2409 1 9 . 1 1 538 538 ALA CA C 538 54.373 54.373 54.196 0.177 19383 2410 1 9 . 1 1 538 538 ALA CB C 538 18.694 18.694 18.480 0.214 19383 2411 1 9 . 1 1 538 538 ALA H H 538 7.799 7.799 8.610 -0.811 19383 2412 1 9 . 1 1 539 539 ALA N N 539 120.412 120.412 120.043 0.369 19383 2413 1 9 . 1 1 539 539 ALA HA H 539 3.883 3.883 3.905 -0.022 19383 2414 1 9 . 1 1 539 539 ALA C C 539 175.516 175.516 179.981 -4.465 19383 2415 1 9 . 1 1 539 539 ALA CA C 539 54.526 54.526 54.359 0.167 19383 2416 1 9 . 1 1 539 539 ALA CB C 539 18.780 18.780 17.177 1.603 19383 2417 1 9 . 1 1 539 539 ALA H H 539 8.208 8.208 7.920 0.288 19383 2418 1 9 . 1 1 540 540 GLU N N 540 116.209 116.209 119.879 -3.670 19383 2419 1 9 . 1 1 540 540 GLU HA H 540 3.933 3.933 4.013 -0.080 19383 2420 1 9 . 1 1 540 540 GLU C C 540 176.525 176.525 177.526 -1.001 19383 2421 1 9 . 1 1 540 540 GLU CA C 540 58.522 58.522 59.513 -0.991 19383 2422 1 9 . 1 1 540 540 GLU CB C 540 28.907 28.907 29.511 -0.604 19383 2423 1 9 . 1 1 540 540 GLU H H 540 8.162 8.162 8.638 -0.476 19383 2424 1 9 . 1 1 541 541 GLY N N 541 107.297 107.297 103.441 3.856 19383 2425 1 9 . 1 1 541 541 GLY C C 541 178.784 178.784 174.767 4.017 19383 2426 1 9 . 1 1 541 541 GLY CA C 541 45.692 45.692 45.000 0.692 19383 2427 1 9 . 1 1 541 541 GLY H H 541 8.033 8.033 8.433 -0.400 19383 2428 1 9 . 1 1 542 542 ILE N N 542 121.066 121.066 116.059 5.007 19383 2429 1 9 . 1 1 542 542 ILE HA H 542 3.765 3.765 4.068 -0.303 19383 2430 1 9 . 1 1 542 542 ILE C C 542 176.804 176.804 175.810 0.994 19383 2431 1 9 . 1 1 542 542 ILE CA C 542 63.871 63.871 61.654 2.217 19383 2432 1 9 . 1 1 542 542 ILE CB C 542 38.075 38.075 37.570 0.505 19383 2433 1 9 . 1 1 542 542 ILE H H 542 7.870 7.870 7.260 0.610 19383 2434 1 9 . 1 1 543 543 TYR N N 543 120.347 120.347 119.501 0.846 19383 2435 1 9 . 1 1 543 543 TYR HA H 543 4.144 4.144 4.480 -0.336 19383 2436 1 9 . 1 1 543 543 TYR C C 543 179.780 179.780 176.224 3.556 19383 2437 1 9 . 1 1 543 543 TYR CA C 543 60.629 60.629 59.061 1.568 19383 2438 1 9 . 1 1 543 543 TYR CB C 543 38.425 38.425 39.687 -1.262 19383 2439 1 9 . 1 1 543 543 TYR H H 543 8.066 8.066 8.362 -0.296 19383 2440 1 9 . 1 1 544 544 ALA N N 544 119.787 119.787 121.393 -1.606 19383 2441 1 9 . 1 1 544 544 ALA HA H 544 3.926 3.926 4.390 -0.464 19383 2442 1 9 . 1 1 544 544 ALA C C 544 175.014 175.014 177.433 -2.419 19383 2443 1 9 . 1 1 544 544 ALA CA C 544 54.262 54.262 53.092 1.170 19383 2444 1 9 . 1 1 544 544 ALA CB C 544 18.991 18.991 19.796 -0.805 19383 2445 1 9 . 1 1 544 544 ALA H H 544 7.910 7.910 7.675 0.235 19383 2446 1 9 . 1 1 545 545 GLU N N 545 115.906 115.906 118.355 -2.449 19383 2447 1 9 . 1 1 545 545 GLU HA H 545 4.056 4.056 4.351 -0.295 19383 2448 1 9 . 1 1 545 545 GLU C C 545 176.541 176.541 177.810 -1.269 19383 2449 1 9 . 1 1 545 545 GLU CA C 545 56.978 56.978 56.386 0.591 19383 2450 1 9 . 1 1 545 545 GLU CB C 545 29.625 29.625 31.814 -2.189 19383 2451 1 9 . 1 1 545 545 GLU H H 545 7.866 7.866 7.532 0.334 19383 2452 1 9 . 1 1 546 546 GLY N N 546 107.293 107.293 109.295 -2.002 19383 2453 1 9 . 1 1 546 546 GLY C C 546 180.358 180.358 174.386 5.972 19383 2454 1 9 . 1 1 546 546 GLY CA C 546 45.645 45.645 46.790 -1.145 19383 2455 1 9 . 1 1 546 546 GLY H H 546 8.019 8.019 8.122 -0.103 19383 2456 1 9 . 1 1 547 547 LEU N N 547 121.469 121.469 115.106 6.363 19383 2457 1 9 . 1 1 547 547 LEU HA H 547 4.147 4.147 4.500 -0.353 19383 2458 1 9 . 1 1 547 547 LEU C C 547 176.730 176.730 176.566 0.164 19383 2459 1 9 . 1 1 547 547 LEU CA C 547 55.851 55.851 56.444 -0.593 19383 2460 1 9 . 1 1 547 547 LEU CB C 547 42.514 42.514 41.749 0.765 19383 2461 1 9 . 1 1 547 547 LEU H H 547 7.892 7.892 7.674 0.218 19383 2462 1 9 . 1 1 548 548 MET N N 548 116.092 116.092 119.569 -3.477 19383 2463 1 9 . 1 1 548 548 MET HA H 548 4.218 4.218 4.496 -0.278 19383 2464 1 9 . 1 1 548 548 MET C C 548 177.832 177.832 177.719 0.113 19383 2465 1 9 . 1 1 548 548 MET CA C 548 55.861 55.861 56.612 -0.751 19383 2466 1 9 . 1 1 548 548 MET CB C 548 32.338 32.338 32.523 -0.185 19383 2467 1 9 . 1 1 548 548 MET H H 548 7.995 7.995 8.160 -0.165 19383 2468 1 9 . 1 1 549 549 HIS N N 549 116.959 116.959 118.829 -1.870 19383 2469 1 9 . 1 1 549 549 HIS HA H 549 4.577 4.577 4.574 0.003 19383 2470 1 9 . 1 1 549 549 HIS C C 549 179.852 179.852 175.062 4.790 19383 2471 1 9 . 1 1 549 549 HIS CA C 549 55.656 55.656 57.956 -2.300 19383 2472 1 9 . 1 1 549 549 HIS CB C 549 28.847 28.847 29.444 -0.597 19383 2473 1 9 . 1 1 549 549 HIS H H 549 8.074 8.074 8.401 -0.327 19383 2474 1 9 . 1 1 550 550 ASN N N 550 118.599 118.599 114.967 3.632 19383 2475 1 9 . 1 1 550 550 ASN HA H 550 4.611 4.611 4.570 0.041 19383 2476 1 9 . 1 1 550 550 ASN C C 550 178.753 178.753 175.683 3.070 19383 2477 1 9 . 1 1 550 550 ASN CA C 550 53.651 53.651 53.486 0.165 19383 2478 1 9 . 1 1 550 550 ASN CB C 550 38.884 38.884 39.277 -0.393 19383 2479 1 9 . 1 1 550 550 ASN H H 550 8.235 8.235 7.663 0.572 19383 2480 1 9 . 1 1 551 551 GLN N N 551 119.902 119.902 119.915 -0.013 19383 2481 1 9 . 1 1 551 551 GLN HA H 551 4.203 4.203 4.216 -0.013 19383 2482 1 9 . 1 1 551 551 GLN C C 551 178.390 178.390 175.808 2.582 19383 2483 1 9 . 1 1 551 551 GLN CA C 551 56.276 56.276 55.286 0.990 19383 2484 1 9 . 1 1 551 551 GLN CB C 551 28.931 28.931 26.207 2.724 19383 2485 1 9 . 1 1 551 551 GLN H H 551 8.359 8.359 7.512 0.847 19383 2486 1 9 . 1 1 552 552 ASP N N 552 119.524 119.524 116.214 3.310 19383 2487 1 9 . 1 1 552 552 ASP HA H 552 4.448 4.448 4.833 -0.385 19383 2488 1 9 . 1 1 552 552 ASP C C 552 177.522 177.522 177.227 0.295 19383 2489 1 9 . 1 1 552 552 ASP CA C 552 54.856 54.856 53.398 1.458 19383 2490 1 9 . 1 1 552 552 ASP CB C 552 40.814 40.814 41.070 -0.256 19383 2491 1 9 . 1 1 552 552 ASP H H 552 8.190 8.190 8.566 -0.376 19383 2492 1 9 . 1 1 553 553 GLY N N 553 108.043 108.043 106.905 1.138 19383 2493 1 9 . 1 1 553 553 GLY C C 553 179.757 179.757 175.177 4.580 19383 2494 1 9 . 1 1 553 553 GLY CA C 553 45.626 45.626 45.358 0.269 19383 2495 1 9 . 1 1 553 553 GLY H H 553 8.130 8.130 8.104 0.026 19383 2496 1 9 . 1 1 554 554 LEU N N 554 121.485 121.485 121.355 0.130 19383 2497 1 9 . 1 1 554 554 LEU HA H 554 4.168 4.168 4.071 0.097 19383 2498 1 9 . 1 1 554 554 LEU C C 554 176.732 176.732 178.486 -1.754 19383 2499 1 9 . 1 1 554 554 LEU CA C 554 56.145 56.145 57.709 -1.563 19383 2500 1 9 . 1 1 554 554 LEU CB C 554 42.513 42.513 41.876 0.637 19383 2501 1 9 . 1 1 554 554 LEU H H 554 8.081 8.081 7.532 0.549 19383 2502 1 9 . 1 1 555 555 ILE N N 555 117.390 117.390 118.040 -0.650 19383 2503 1 9 . 1 1 555 555 ILE HA H 555 3.954 3.954 4.063 -0.109 19383 2504 1 9 . 1 1 555 555 ILE C C 555 178.242 178.242 176.337 1.905 19383 2505 1 9 . 1 1 555 555 ILE CA C 555 61.929 61.929 59.008 2.921 19383 2506 1 9 . 1 1 555 555 ILE CB C 555 38.317 38.317 34.519 3.798 19383 2507 1 9 . 1 1 555 555 ILE H H 555 7.976 7.976 7.786 0.190 19383 2508 1 9 . 1 1 556 556 CYS N N 556 119.495 119.495 122.437 -2.942 19383 2509 1 9 . 1 1 556 556 CYS HA H 556 4.411 4.411 4.310 0.101 19383 2510 1 9 . 1 1 556 556 CYS C C 556 178.872 178.872 176.535 2.337 19383 2511 1 9 . 1 1 556 556 CYS CA C 556 56.233 56.233 60.444 -4.211 19383 2512 1 9 . 1 1 556 556 CYS CB C 556 41.438 41.438 26.453 14.986 19383 2513 1 9 . 1 1 556 556 CYS H H 556 8.214 8.214 8.586 -0.372 19383 2514 1 9 . 1 1 557 557 GLY N N 557 108.419 108.419 109.032 -0.613 19383 2515 1 9 . 1 1 557 557 GLY C C 557 180.393 180.393 175.360 5.033 19383 2516 1 9 . 1 1 557 557 GLY CA C 557 45.701 45.701 46.278 -0.577 19383 2517 1 9 . 1 1 557 557 GLY H H 557 8.141 8.141 8.636 -0.495 19383 2518 1 9 . 1 1 558 558 LEU N N 558 120.318 120.318 118.367 1.951 19383 2519 1 9 . 1 1 558 558 LEU HA H 558 4.237 4.237 4.193 0.044 19383 2520 1 9 . 1 1 558 558 LEU C C 558 177.398 177.398 177.347 0.051 19383 2521 1 9 . 1 1 558 558 LEU CA C 558 55.730 55.730 56.445 -0.715 19383 2522 1 9 . 1 1 558 558 LEU CB C 558 42.585 42.585 41.807 0.778 19383 2523 1 9 . 1 1 558 558 LEU H H 558 7.837 7.837 7.343 0.494 19383 2524 1 9 . 1 1 559 559 ARG N N 559 119.828 119.828 115.781 4.047 19383 2525 1 9 . 1 1 559 559 ARG HA H 559 4.245 4.245 3.989 0.256 19383 2526 1 9 . 1 1 559 559 ARG C C 559 179.052 179.052 176.282 2.770 19383 2527 1 9 . 1 1 559 559 ARG CA C 559 55.773 55.773 56.322 -0.549 19383 2528 1 9 . 1 1 559 559 ARG CB C 559 31.191 31.191 28.554 2.637 19383 2529 1 9 . 1 1 559 559 ARG H H 559 8.007 8.007 7.803 0.204 19383 2530 1 10 . 1 1 508 508 GLN N N 508 120.721 120.721 120.202 0.519 19383 2531 1 10 . 1 1 508 508 GLN HA H 508 4.607 4.607 4.661 -0.054 19383 2532 1 10 . 1 1 508 508 GLN CA C 508 53.627 53.627 54.413 -0.786 19383 2533 1 10 . 1 1 508 508 GLN CB C 508 28.849 28.849 29.175 -0.326 19383 2534 1 10 . 1 1 508 508 GLN H H 508 8.575 8.575 8.471 0.104 19383 2535 1 10 . 1 1 509 509 PRO HA H 509 4.329 4.329 4.379 -0.050 19383 2536 1 10 . 1 1 509 509 PRO C C 509 177.740 177.740 177.275 0.465 19383 2537 1 10 . 1 1 509 509 PRO CA C 509 63.094 63.094 64.020 -0.926 19383 2538 1 10 . 1 1 509 509 PRO CB C 509 32.083 32.083 32.358 -0.275 19383 2539 1 10 . 1 1 510 510 LYS N N 510 121.228 121.228 114.049 7.179 19383 2540 1 10 . 1 1 510 510 LYS HA H 510 4.233 4.233 4.329 -0.096 19383 2541 1 10 . 1 1 510 510 LYS C C 510 177.951 177.951 175.485 2.466 19383 2542 1 10 . 1 1 510 510 LYS CA C 510 55.910 55.910 56.420 -0.510 19383 2543 1 10 . 1 1 510 510 LYS CB C 510 32.985 32.985 32.530 0.455 19383 2544 1 10 . 1 1 510 510 LYS H H 510 8.330 8.330 8.299 0.031 19383 2545 1 10 . 1 1 511 511 CYS N N 511 119.374 119.374 120.378 -1.004 19383 2546 1 10 . 1 1 511 511 CYS HA H 511 4.562 4.562 4.257 0.305 19383 2547 1 10 . 1 1 511 511 CYS C C 511 180.885 180.885 173.971 6.914 19383 2548 1 10 . 1 1 511 511 CYS CA C 511 55.085 55.085 59.949 -4.864 19383 2549 1 10 . 1 1 511 511 CYS CB C 511 41.809 41.809 25.719 16.090 19383 2550 1 10 . 1 1 511 511 CYS H H 511 8.284 8.284 8.395 -0.111 19383 2551 1 10 . 1 1 512 512 ASN N N 512 122.292 122.292 122.193 0.099 19383 2552 1 10 . 1 1 512 512 ASN HA H 512 4.898 4.898 4.895 0.003 19383 2553 1 10 . 1 1 512 512 ASN CA C 512 50.921 50.921 52.318 -1.397 19383 2554 1 10 . 1 1 512 512 ASN CB C 512 39.105 39.105 40.771 -1.666 19383 2555 1 10 . 1 1 512 512 ASN H H 512 8.614 8.614 8.383 0.231 19383 2556 1 10 . 1 1 513 513 PRO HA H 513 4.294 4.294 4.959 -0.665 19383 2557 1 10 . 1 1 513 513 PRO C C 513 177.920 177.920 176.312 1.608 19383 2558 1 10 . 1 1 513 513 PRO CA C 513 63.373 63.373 63.264 0.109 19383 2559 1 10 . 1 1 513 513 PRO CB C 513 31.880 31.880 31.315 0.565 19383 2560 1 10 . 1 1 514 514 ASN N N 514 117.476 117.476 117.508 -0.032 19383 2561 1 10 . 1 1 514 514 ASN HA H 514 4.557 4.557 4.732 -0.175 19383 2562 1 10 . 1 1 514 514 ASN C C 514 179.369 179.369 175.732 3.637 19383 2563 1 10 . 1 1 514 514 ASN CA C 514 53.454 53.454 53.815 -0.361 19383 2564 1 10 . 1 1 514 514 ASN CB C 514 38.954 38.954 39.942 -0.988 19383 2565 1 10 . 1 1 514 514 ASN H H 514 8.285 8.285 8.155 0.130 19383 2566 1 10 . 1 1 515 515 LEU N N 515 121.054 121.054 119.782 1.272 19383 2567 1 10 . 1 1 515 515 LEU HA H 515 4.154 4.154 4.715 -0.561 19383 2568 1 10 . 1 1 515 515 LEU C C 515 177.719 177.719 176.264 1.455 19383 2569 1 10 . 1 1 515 515 LEU CA C 515 55.268 55.268 53.996 1.272 19383 2570 1 10 . 1 1 515 515 LEU CB C 515 42.079 42.079 39.993 2.086 19383 2571 1 10 . 1 1 515 515 LEU H H 515 7.770 7.770 7.392 0.378 19383 2572 1 10 . 1 1 516 516 HIS N N 516 117.461 117.461 119.241 -1.780 19383 2573 1 10 . 1 1 516 516 HIS HA H 516 4.451 4.451 4.467 -0.016 19383 2574 1 10 . 1 1 516 516 HIS C C 516 179.871 179.871 175.300 4.571 19383 2575 1 10 . 1 1 516 516 HIS CA C 516 55.414 55.414 56.602 -1.188 19383 2576 1 10 . 1 1 516 516 HIS CB C 516 28.867 28.867 29.560 -0.693 19383 2577 1 10 . 1 1 516 516 HIS H H 516 8.126 8.126 7.289 0.837 19383 2578 1 10 . 1 1 517 517 TYR N N 517 120.302 120.302 117.347 2.955 19383 2579 1 10 . 1 1 517 517 TYR HA H 517 4.222 4.222 4.226 -0.004 19383 2580 1 10 . 1 1 517 517 TYR C C 517 178.883 178.883 176.205 2.678 19383 2581 1 10 . 1 1 517 517 TYR CA C 517 59.410 59.410 60.088 -0.678 19383 2582 1 10 . 1 1 517 517 TYR CB C 517 38.843 38.843 37.911 0.931 19383 2583 1 10 . 1 1 517 517 TYR H H 517 8.101 8.101 8.023 0.078 19383 2584 1 10 . 1 1 518 518 TRP N N 518 118.660 118.660 115.665 2.995 19383 2585 1 10 . 1 1 518 518 TRP HA H 518 4.569 4.569 5.104 -0.535 19383 2586 1 10 . 1 1 518 518 TRP C C 518 178.468 178.468 176.912 1.556 19383 2587 1 10 . 1 1 518 518 TRP CA C 518 57.501 57.501 57.126 0.375 19383 2588 1 10 . 1 1 518 518 TRP CB C 518 29.619 29.619 32.566 -2.947 19383 2589 1 10 . 1 1 518 518 TRP H H 518 7.665 7.665 7.628 0.037 19383 2590 1 10 . 1 1 519 519 THR N N 519 112.373 112.373 111.963 0.410 19383 2591 1 10 . 1 1 519 519 THR HA H 519 4.351 4.351 3.826 0.525 19383 2592 1 10 . 1 1 519 519 THR C C 519 179.594 179.594 175.180 4.414 19383 2593 1 10 . 1 1 519 519 THR CA C 519 61.654 61.654 65.681 -4.027 19383 2594 1 10 . 1 1 519 519 THR CB C 519 69.859 69.859 67.349 2.510 19383 2595 1 10 . 1 1 519 519 THR H H 519 7.894 7.894 7.990 -0.096 19383 2596 1 10 . 1 1 520 520 THR N N 520 114.438 114.438 117.553 -3.115 19383 2597 1 10 . 1 1 520 520 THR HA H 520 4.256 4.256 4.385 -0.129 19383 2598 1 10 . 1 1 520 520 THR C C 520 179.419 179.419 175.912 3.507 19383 2599 1 10 . 1 1 520 520 THR CA C 520 62.019 62.019 64.353 -2.334 19383 2600 1 10 . 1 1 520 520 THR CB C 520 69.709 69.709 68.879 0.830 19383 2601 1 10 . 1 1 520 520 THR H H 520 7.957 7.957 8.692 -0.735 19383 2602 1 10 . 1 1 521 521 GLN N N 521 121.453 121.453 120.859 0.594 19383 2603 1 10 . 1 1 521 521 GLN HA H 521 4.175 4.175 4.142 0.033 19383 2604 1 10 . 1 1 521 521 GLN C C 521 178.345 178.345 176.209 2.136 19383 2605 1 10 . 1 1 521 521 GLN CA C 521 56.302 56.302 59.076 -2.774 19383 2606 1 10 . 1 1 521 521 GLN CB C 521 29.118 29.118 28.837 0.281 19383 2607 1 10 . 1 1 521 521 GLN H H 521 8.224 8.224 8.600 -0.376 19383 2608 1 10 . 1 1 522 522 ASP N N 522 120.227 120.227 117.964 2.263 19383 2609 1 10 . 1 1 522 522 ASP HA H 522 4.461 4.461 4.738 -0.277 19383 2610 1 10 . 1 1 522 522 ASP C C 522 177.838 177.838 177.323 0.515 19383 2611 1 10 . 1 1 522 522 ASP CA C 522 54.741 54.741 55.380 -0.639 19383 2612 1 10 . 1 1 522 522 ASP CB C 522 40.847 40.847 41.579 -0.732 19383 2613 1 10 . 1 1 522 522 ASP H H 522 8.155 8.155 7.709 0.446 19383 2614 1 10 . 1 1 523 523 GLU N N 523 120.511 120.511 119.164 1.347 19383 2615 1 10 . 1 1 523 523 GLU HA H 523 4.102 4.102 4.090 0.012 19383 2616 1 10 . 1 1 523 523 GLU C C 523 177.165 177.165 177.380 -0.215 19383 2617 1 10 . 1 1 523 523 GLU CA C 523 57.161 57.161 58.111 -0.950 19383 2618 1 10 . 1 1 523 523 GLU CB C 523 29.153 29.153 29.563 -0.410 19383 2619 1 10 . 1 1 523 523 GLU H H 523 8.250 8.250 7.801 0.449 19383 2620 1 10 . 1 1 524 524 GLY N N 524 108.395 108.395 105.466 2.929 19383 2621 1 10 . 1 1 524 524 GLY C C 524 179.999 179.999 173.556 6.443 19383 2622 1 10 . 1 1 524 524 GLY CA C 524 45.791 45.791 44.655 1.136 19383 2623 1 10 . 1 1 524 524 GLY H H 524 8.308 8.308 7.813 0.495 19383 2624 1 10 . 1 1 525 525 ALA N N 525 123.026 123.026 123.426 -0.400 19383 2625 1 10 . 1 1 525 525 ALA HA H 525 4.139 4.139 4.626 -0.487 19383 2626 1 10 . 1 1 525 525 ALA C C 525 176.642 176.642 177.430 -0.788 19383 2627 1 10 . 1 1 525 525 ALA CA C 525 52.706 52.706 52.647 0.059 19383 2628 1 10 . 1 1 525 525 ALA CB C 525 19.148 19.148 19.887 -0.739 19383 2629 1 10 . 1 1 525 525 ALA H H 525 7.884 7.884 7.810 0.074 19383 2630 1 10 . 1 1 526 526 ALA N N 526 121.593 121.593 121.813 -0.220 19383 2631 1 10 . 1 1 526 526 ALA HA H 526 4.164 4.164 4.637 -0.473 19383 2632 1 10 . 1 1 526 526 ALA C C 526 176.320 176.320 176.657 -0.337 19383 2633 1 10 . 1 1 526 526 ALA CA C 526 52.788 52.788 52.199 0.589 19383 2634 1 10 . 1 1 526 526 ALA CB C 526 19.055 19.055 19.848 -0.793 19383 2635 1 10 . 1 1 526 526 ALA H H 526 8.027 8.027 7.871 0.156 19383 2636 1 10 . 1 1 527 527 ILE N N 527 117.907 117.907 113.746 4.161 19383 2637 1 10 . 1 1 527 527 ILE HA H 527 3.874 3.874 4.104 -0.230 19383 2638 1 10 . 1 1 527 527 ILE C C 527 177.983 177.983 177.007 0.976 19383 2639 1 10 . 1 1 527 527 ILE CA C 527 61.894 61.894 60.323 1.571 19383 2640 1 10 . 1 1 527 527 ILE CB C 527 38.485 38.485 37.553 0.932 19383 2641 1 10 . 1 1 527 527 ILE H H 527 7.913 7.913 7.624 0.289 19383 2642 1 10 . 1 1 528 528 GLY N N 528 109.328 109.328 108.420 0.908 19383 2643 1 10 . 1 1 528 528 GLY C C 528 180.040 180.040 174.725 5.315 19383 2644 1 10 . 1 1 528 528 GLY CA C 528 45.877 45.877 46.024 -0.147 19383 2645 1 10 . 1 1 528 528 GLY H H 528 8.045 8.045 8.248 -0.203 19383 2646 1 10 . 1 1 529 529 LEU N N 529 119.297 119.297 114.584 4.713 19383 2647 1 10 . 1 1 529 529 LEU HA H 529 4.076 4.076 4.594 -0.518 19383 2648 1 10 . 1 1 529 529 LEU C C 529 177.413 177.413 177.169 0.244 19383 2649 1 10 . 1 1 529 529 LEU CA C 529 55.759 55.759 56.228 -0.469 19383 2650 1 10 . 1 1 529 529 LEU CB C 529 42.321 42.321 42.084 0.237 19383 2651 1 10 . 1 1 529 529 LEU H H 529 8.083 8.083 7.209 0.874 19383 2652 1 10 . 1 1 530 530 ALA N N 530 120.355 120.355 119.809 0.546 19383 2653 1 10 . 1 1 530 530 ALA HA H 530 4.035 4.035 4.646 -0.611 19383 2654 1 10 . 1 1 530 530 ALA C C 530 177.142 177.142 178.948 -1.806 19383 2655 1 10 . 1 1 530 530 ALA CA C 530 53.814 53.814 52.034 1.780 19383 2656 1 10 . 1 1 530 530 ALA CB C 530 18.780 18.780 19.676 -0.896 19383 2657 1 10 . 1 1 530 530 ALA H H 530 8.015 8.015 7.474 0.541 19383 2658 1 10 . 1 1 531 531 TRP N N 531 114.575 114.575 121.162 -6.587 19383 2659 1 10 . 1 1 531 531 TRP HA H 531 4.589 4.589 4.867 -0.278 19383 2660 1 10 . 1 1 531 531 TRP C C 531 177.968 177.968 174.738 3.230 19383 2661 1 10 . 1 1 531 531 TRP CA C 531 56.378 56.378 55.265 1.113 19383 2662 1 10 . 1 1 531 531 TRP CB C 531 29.409 29.409 27.204 2.205 19383 2663 1 10 . 1 1 531 531 TRP H H 531 7.398 7.398 8.493 -1.095 19383 2664 1 10 . 1 1 532 532 ILE N N 532 121.501 121.501 115.432 6.069 19383 2665 1 10 . 1 1 532 532 ILE HA H 532 3.768 3.768 4.422 -0.654 19383 2666 1 10 . 1 1 532 532 ILE CA C 532 63.813 63.813 57.935 5.878 19383 2667 1 10 . 1 1 532 532 ILE H H 532 7.197 7.197 7.769 -0.572 19383 2668 1 10 . 1 1 533 533 PRO HA H 533 4.169 4.169 4.340 -0.171 19383 2669 1 10 . 1 1 533 533 PRO CA C 533 64.431 64.431 63.863 0.568 19383 2670 1 10 . 1 1 533 533 PRO CB C 533 32.238 32.238 30.695 1.543 19383 2671 1 10 . 1 1 534 534 TYR HA H 534 4.086 4.086 4.416 -0.330 19383 2672 1 10 . 1 1 534 534 TYR CA C 534 60.819 60.819 60.149 0.670 19383 2673 1 10 . 1 1 534 534 TYR CB C 534 38.437 38.437 39.189 -0.752 19383 2674 1 10 . 1 1 534 534 TYR H H 534 8.066 8.066 8.061 0.005 19383 2675 1 10 . 1 1 535 535 PHE HA H 535 4.316 4.316 4.348 -0.032 19383 2676 1 10 . 1 1 535 535 PHE C C 535 175.669 175.669 176.577 -0.908 19383 2677 1 10 . 1 1 535 535 PHE CA C 535 58.885 58.885 60.133 -1.248 19383 2678 1 10 . 1 1 535 535 PHE CB C 535 40.304 40.304 39.321 0.983 19383 2679 1 10 . 1 1 535 535 PHE H H 535 8.123 8.123 8.578 -0.455 19383 2680 1 10 . 1 1 536 536 GLY N N 536 107.103 107.103 105.541 1.562 19383 2681 1 10 . 1 1 536 536 GLY CA C 536 46.510 46.510 44.768 1.742 19383 2682 1 10 . 1 1 536 536 GLY H H 536 8.031 8.031 7.914 0.117 19383 2683 1 10 . 1 1 537 537 PRO HA H 537 4.210 4.210 4.500 -0.290 19383 2684 1 10 . 1 1 537 537 PRO C C 537 175.183 175.183 176.762 -1.579 19383 2685 1 10 . 1 1 537 537 PRO CA C 537 64.563 64.563 62.414 2.149 19383 2686 1 10 . 1 1 537 537 PRO CB C 537 31.618 31.618 31.962 -0.344 19383 2687 1 10 . 1 1 538 538 ALA N N 538 120.228 120.228 121.735 -1.507 19383 2688 1 10 . 1 1 538 538 ALA HA H 538 4.095 4.095 4.015 0.080 19383 2689 1 10 . 1 1 538 538 ALA C C 538 175.268 175.268 179.334 -4.066 19383 2690 1 10 . 1 1 538 538 ALA CA C 538 54.373 54.373 54.588 -0.215 19383 2691 1 10 . 1 1 538 538 ALA CB C 538 18.694 18.694 18.373 0.321 19383 2692 1 10 . 1 1 538 538 ALA H H 538 7.799 7.799 8.157 -0.358 19383 2693 1 10 . 1 1 539 539 ALA N N 539 120.412 120.412 118.754 1.658 19383 2694 1 10 . 1 1 539 539 ALA HA H 539 3.883 3.883 3.887 -0.004 19383 2695 1 10 . 1 1 539 539 ALA C C 539 175.516 175.516 179.631 -4.115 19383 2696 1 10 . 1 1 539 539 ALA CA C 539 54.526 54.526 54.416 0.110 19383 2697 1 10 . 1 1 539 539 ALA CB C 539 18.780 18.780 16.826 1.954 19383 2698 1 10 . 1 1 539 539 ALA H H 539 8.208 8.208 8.261 -0.053 19383 2699 1 10 . 1 1 540 540 GLU N N 540 116.209 116.209 119.518 -3.309 19383 2700 1 10 . 1 1 540 540 GLU HA H 540 3.933 3.933 4.178 -0.245 19383 2701 1 10 . 1 1 540 540 GLU C C 540 176.525 176.525 177.373 -0.848 19383 2702 1 10 . 1 1 540 540 GLU CA C 540 58.522 58.522 59.193 -0.671 19383 2703 1 10 . 1 1 540 540 GLU CB C 540 28.907 28.907 29.563 -0.656 19383 2704 1 10 . 1 1 540 540 GLU H H 540 8.162 8.162 8.745 -0.583 19383 2705 1 10 . 1 1 541 541 GLY N N 541 107.297 107.297 103.662 3.635 19383 2706 1 10 . 1 1 541 541 GLY C C 541 178.784 178.784 175.245 3.539 19383 2707 1 10 . 1 1 541 541 GLY CA C 541 45.692 45.692 45.039 0.653 19383 2708 1 10 . 1 1 541 541 GLY H H 541 8.033 8.033 8.301 -0.268 19383 2709 1 10 . 1 1 542 542 ILE N N 542 121.066 121.066 117.827 3.239 19383 2710 1 10 . 1 1 542 542 ILE HA H 542 3.765 3.765 3.868 -0.103 19383 2711 1 10 . 1 1 542 542 ILE C C 542 176.804 176.804 176.341 0.463 19383 2712 1 10 . 1 1 542 542 ILE CA C 542 63.871 63.871 63.035 0.836 19383 2713 1 10 . 1 1 542 542 ILE CB C 542 38.075 38.075 37.548 0.527 19383 2714 1 10 . 1 1 542 542 ILE H H 542 7.870 7.870 7.308 0.562 19383 2715 1 10 . 1 1 543 543 TYR N N 543 120.347 120.347 118.739 1.608 19383 2716 1 10 . 1 1 543 543 TYR HA H 543 4.144 4.144 4.517 -0.373 19383 2717 1 10 . 1 1 543 543 TYR C C 543 179.780 179.780 176.393 3.387 19383 2718 1 10 . 1 1 543 543 TYR CA C 543 60.629 60.629 58.442 2.187 19383 2719 1 10 . 1 1 543 543 TYR CB C 543 38.425 38.425 39.045 -0.620 19383 2720 1 10 . 1 1 543 543 TYR H H 543 8.066 8.066 8.175 -0.109 19383 2721 1 10 . 1 1 544 544 ALA N N 544 119.787 119.787 121.827 -2.040 19383 2722 1 10 . 1 1 544 544 ALA HA H 544 3.926 3.926 4.361 -0.435 19383 2723 1 10 . 1 1 544 544 ALA C C 544 175.014 175.014 177.633 -2.619 19383 2724 1 10 . 1 1 544 544 ALA CA C 544 54.262 54.262 53.265 0.997 19383 2725 1 10 . 1 1 544 544 ALA CB C 544 18.991 18.991 19.781 -0.790 19383 2726 1 10 . 1 1 544 544 ALA H H 544 7.910 7.910 7.687 0.223 19383 2727 1 10 . 1 1 545 545 GLU N N 545 115.906 115.906 118.220 -2.314 19383 2728 1 10 . 1 1 545 545 GLU HA H 545 4.056 4.056 4.437 -0.381 19383 2729 1 10 . 1 1 545 545 GLU C C 545 176.541 176.541 178.012 -1.471 19383 2730 1 10 . 1 1 545 545 GLU CA C 545 56.978 56.978 56.289 0.689 19383 2731 1 10 . 1 1 545 545 GLU CB C 545 29.625 29.625 32.209 -2.584 19383 2732 1 10 . 1 1 545 545 GLU H H 545 7.866 7.866 8.149 -0.283 19383 2733 1 10 . 1 1 546 546 GLY N N 546 107.293 107.293 109.174 -1.881 19383 2734 1 10 . 1 1 546 546 GLY C C 546 180.358 180.358 174.258 6.100 19383 2735 1 10 . 1 1 546 546 GLY CA C 546 45.645 45.645 46.975 -1.330 19383 2736 1 10 . 1 1 546 546 GLY H H 546 8.019 8.019 8.129 -0.110 19383 2737 1 10 . 1 1 547 547 LEU N N 547 121.469 121.469 113.959 7.510 19383 2738 1 10 . 1 1 547 547 LEU HA H 547 4.147 4.147 4.557 -0.410 19383 2739 1 10 . 1 1 547 547 LEU C C 547 176.730 176.730 176.340 0.390 19383 2740 1 10 . 1 1 547 547 LEU CA C 547 55.851 55.851 56.115 -0.264 19383 2741 1 10 . 1 1 547 547 LEU CB C 547 42.514 42.514 41.921 0.593 19383 2742 1 10 . 1 1 547 547 LEU H H 547 7.892 7.892 7.796 0.096 19383 2743 1 10 . 1 1 548 548 MET N N 548 116.092 116.092 119.454 -3.362 19383 2744 1 10 . 1 1 548 548 MET HA H 548 4.218 4.218 4.541 -0.323 19383 2745 1 10 . 1 1 548 548 MET C C 548 177.832 177.832 177.100 0.732 19383 2746 1 10 . 1 1 548 548 MET CA C 548 55.861 55.861 55.499 0.362 19383 2747 1 10 . 1 1 548 548 MET CB C 548 32.338 32.338 32.787 -0.449 19383 2748 1 10 . 1 1 548 548 MET H H 548 7.995 7.995 8.278 -0.283 19383 2749 1 10 . 1 1 549 549 HIS N N 549 116.959 116.959 118.755 -1.796 19383 2750 1 10 . 1 1 549 549 HIS HA H 549 4.577 4.577 4.633 -0.056 19383 2751 1 10 . 1 1 549 549 HIS C C 549 179.852 179.852 175.252 4.600 19383 2752 1 10 . 1 1 549 549 HIS CA C 549 55.656 55.656 58.357 -2.701 19383 2753 1 10 . 1 1 549 549 HIS CB C 549 28.847 28.847 29.522 -0.675 19383 2754 1 10 . 1 1 549 549 HIS H H 549 8.074 8.074 8.556 -0.482 19383 2755 1 10 . 1 1 550 550 ASN N N 550 118.599 118.599 116.190 2.409 19383 2756 1 10 . 1 1 550 550 ASN HA H 550 4.611 4.611 4.580 0.031 19383 2757 1 10 . 1 1 550 550 ASN C C 550 178.753 178.753 174.946 3.807 19383 2758 1 10 . 1 1 550 550 ASN CA C 550 53.651 53.651 54.408 -0.757 19383 2759 1 10 . 1 1 550 550 ASN CB C 550 38.884 38.884 39.679 -0.795 19383 2760 1 10 . 1 1 550 550 ASN H H 550 8.235 8.235 7.910 0.325 19383 2761 1 10 . 1 1 551 551 GLN N N 551 119.902 119.902 119.637 0.265 19383 2762 1 10 . 1 1 551 551 GLN HA H 551 4.203 4.203 4.179 0.024 19383 2763 1 10 . 1 1 551 551 GLN C C 551 178.390 178.390 175.351 3.039 19383 2764 1 10 . 1 1 551 551 GLN CA C 551 56.276 56.276 55.836 0.441 19383 2765 1 10 . 1 1 551 551 GLN CB C 551 28.931 28.931 26.389 2.542 19383 2766 1 10 . 1 1 551 551 GLN H H 551 8.359 8.359 7.736 0.623 19383 2767 1 10 . 1 1 552 552 ASP N N 552 119.524 119.524 116.936 2.588 19383 2768 1 10 . 1 1 552 552 ASP HA H 552 4.448 4.448 4.924 -0.476 19383 2769 1 10 . 1 1 552 552 ASP C C 552 177.522 177.522 177.480 0.042 19383 2770 1 10 . 1 1 552 552 ASP CA C 552 54.856 54.856 52.530 2.326 19383 2771 1 10 . 1 1 552 552 ASP CB C 552 40.814 40.814 40.768 0.046 19383 2772 1 10 . 1 1 552 552 ASP H H 552 8.190 8.190 8.839 -0.649 19383 2773 1 10 . 1 1 553 553 GLY N N 553 108.043 108.043 107.013 1.030 19383 2774 1 10 . 1 1 553 553 GLY C C 553 179.757 179.757 175.380 4.377 19383 2775 1 10 . 1 1 553 553 GLY CA C 553 45.626 45.626 45.402 0.224 19383 2776 1 10 . 1 1 553 553 GLY H H 553 8.130 8.130 8.146 -0.016 19383 2777 1 10 . 1 1 554 554 LEU N N 554 121.485 121.485 122.061 -0.576 19383 2778 1 10 . 1 1 554 554 LEU HA H 554 4.168 4.168 4.079 0.089 19383 2779 1 10 . 1 1 554 554 LEU C C 554 176.732 176.732 178.355 -1.623 19383 2780 1 10 . 1 1 554 554 LEU CA C 554 56.145 56.145 57.771 -1.626 19383 2781 1 10 . 1 1 554 554 LEU CB C 554 42.513 42.513 42.006 0.507 19383 2782 1 10 . 1 1 554 554 LEU H H 554 8.081 8.081 7.494 0.587 19383 2783 1 10 . 1 1 555 555 ILE N N 555 117.390 117.390 118.003 -0.613 19383 2784 1 10 . 1 1 555 555 ILE HA H 555 3.954 3.954 4.128 -0.174 19383 2785 1 10 . 1 1 555 555 ILE C C 555 178.242 178.242 175.912 2.330 19383 2786 1 10 . 1 1 555 555 ILE CA C 555 61.929 61.929 58.682 3.247 19383 2787 1 10 . 1 1 555 555 ILE CB C 555 38.317 38.317 34.607 3.710 19383 2788 1 10 . 1 1 555 555 ILE H H 555 7.976 7.976 7.833 0.143 19383 2789 1 10 . 1 1 556 556 CYS N N 556 119.495 119.495 121.746 -2.251 19383 2790 1 10 . 1 1 556 556 CYS HA H 556 4.411 4.411 4.473 -0.062 19383 2791 1 10 . 1 1 556 556 CYS C C 556 178.872 178.872 176.755 2.117 19383 2792 1 10 . 1 1 556 556 CYS CA C 556 56.233 56.233 60.386 -4.153 19383 2793 1 10 . 1 1 556 556 CYS CB C 556 41.438 41.438 26.503 14.935 19383 2794 1 10 . 1 1 556 556 CYS H H 556 8.214 8.214 8.077 0.137 19383 2795 1 10 . 1 1 557 557 GLY N N 557 108.419 108.419 108.721 -0.302 19383 2796 1 10 . 1 1 557 557 GLY C C 557 180.393 180.393 175.592 4.801 19383 2797 1 10 . 1 1 557 557 GLY CA C 557 45.701 45.701 46.310 -0.609 19383 2798 1 10 . 1 1 557 557 GLY H H 557 8.141 8.141 8.737 -0.596 19383 2799 1 10 . 1 1 558 558 LEU N N 558 120.318 120.318 118.143 2.175 19383 2800 1 10 . 1 1 558 558 LEU HA H 558 4.237 4.237 4.324 -0.087 19383 2801 1 10 . 1 1 558 558 LEU C C 558 177.398 177.398 176.469 0.929 19383 2802 1 10 . 1 1 558 558 LEU CA C 558 55.730 55.730 54.730 1.000 19383 2803 1 10 . 1 1 558 558 LEU CB C 558 42.585 42.585 39.882 2.703 19383 2804 1 10 . 1 1 558 558 LEU H H 558 7.837 7.837 7.276 0.561 19383 2805 1 10 . 1 1 559 559 ARG N N 559 119.828 119.828 120.085 -0.257 19383 2806 1 10 . 1 1 559 559 ARG HA H 559 4.245 4.245 4.147 0.098 19383 2807 1 10 . 1 1 559 559 ARG C C 559 179.052 179.052 176.509 2.543 19383 2808 1 10 . 1 1 559 559 ARG CA C 559 55.773 55.773 56.345 -0.572 19383 2809 1 10 . 1 1 559 559 ARG CB C 559 31.191 31.191 29.925 1.266 19383 2810 1 10 . 1 1 559 559 ARG H H 559 8.007 8.007 7.506 0.501 19383 2811 1 11 . 1 1 508 508 GLN N N 508 120.721 120.721 122.142 -1.421 19383 2812 1 11 . 1 1 508 508 GLN HA H 508 4.607 4.607 4.684 -0.077 19383 2813 1 11 . 1 1 508 508 GLN CA C 508 53.627 53.627 54.002 -0.375 19383 2814 1 11 . 1 1 508 508 GLN CB C 508 28.849 28.849 29.363 -0.514 19383 2815 1 11 . 1 1 508 508 GLN H H 508 8.575 8.575 8.443 0.132 19383 2816 1 11 . 1 1 509 509 PRO HA H 509 4.329 4.329 4.462 -0.133 19383 2817 1 11 . 1 1 509 509 PRO C C 509 177.740 177.740 176.475 1.265 19383 2818 1 11 . 1 1 509 509 PRO CA C 509 63.094 63.094 63.916 -0.822 19383 2819 1 11 . 1 1 509 509 PRO CB C 509 32.083 32.083 32.227 -0.144 19383 2820 1 11 . 1 1 510 510 LYS N N 510 121.228 121.228 115.114 6.114 19383 2821 1 11 . 1 1 510 510 LYS HA H 510 4.233 4.233 4.016 0.217 19383 2822 1 11 . 1 1 510 510 LYS C C 510 177.951 177.951 175.571 2.380 19383 2823 1 11 . 1 1 510 510 LYS CA C 510 55.910 55.910 56.576 -0.666 19383 2824 1 11 . 1 1 510 510 LYS CB C 510 32.985 32.985 30.953 2.032 19383 2825 1 11 . 1 1 510 510 LYS H H 510 8.330 8.330 8.090 0.240 19383 2826 1 11 . 1 1 511 511 CYS N N 511 119.374 119.374 118.737 0.637 19383 2827 1 11 . 1 1 511 511 CYS HA H 511 4.562 4.562 4.300 0.262 19383 2828 1 11 . 1 1 511 511 CYS C C 511 180.885 180.885 173.970 6.915 19383 2829 1 11 . 1 1 511 511 CYS CA C 511 55.085 55.085 59.773 -4.688 19383 2830 1 11 . 1 1 511 511 CYS CB C 511 41.809 41.809 26.247 15.562 19383 2831 1 11 . 1 1 511 511 CYS H H 511 8.284 8.284 8.390 -0.106 19383 2832 1 11 . 1 1 512 512 ASN N N 512 122.292 122.292 121.296 0.996 19383 2833 1 11 . 1 1 512 512 ASN HA H 512 4.898 4.898 4.909 -0.011 19383 2834 1 11 . 1 1 512 512 ASN CA C 512 50.921 50.921 51.017 -0.096 19383 2835 1 11 . 1 1 512 512 ASN CB C 512 39.105 39.105 39.510 -0.405 19383 2836 1 11 . 1 1 512 512 ASN H H 512 8.614 8.614 8.218 0.396 19383 2837 1 11 . 1 1 513 513 PRO HA H 513 4.294 4.294 4.440 -0.146 19383 2838 1 11 . 1 1 513 513 PRO C C 513 177.920 177.920 177.087 0.833 19383 2839 1 11 . 1 1 513 513 PRO CA C 513 63.373 63.373 64.097 -0.724 19383 2840 1 11 . 1 1 513 513 PRO CB C 513 31.880 31.880 31.886 -0.006 19383 2841 1 11 . 1 1 514 514 ASN N N 514 117.476 117.476 115.484 1.992 19383 2842 1 11 . 1 1 514 514 ASN HA H 514 4.557 4.557 4.574 -0.017 19383 2843 1 11 . 1 1 514 514 ASN C C 514 179.369 179.369 175.578 3.791 19383 2844 1 11 . 1 1 514 514 ASN CA C 514 53.454 53.454 54.468 -1.014 19383 2845 1 11 . 1 1 514 514 ASN CB C 514 38.954 38.954 38.717 0.237 19383 2846 1 11 . 1 1 514 514 ASN H H 514 8.285 8.285 8.339 -0.054 19383 2847 1 11 . 1 1 515 515 LEU N N 515 121.054 121.054 122.069 -1.015 19383 2848 1 11 . 1 1 515 515 LEU HA H 515 4.154 4.154 4.180 -0.026 19383 2849 1 11 . 1 1 515 515 LEU C C 515 177.719 177.719 176.262 1.457 19383 2850 1 11 . 1 1 515 515 LEU CA C 515 55.268 55.268 54.812 0.456 19383 2851 1 11 . 1 1 515 515 LEU CB C 515 42.079 42.079 39.978 2.100 19383 2852 1 11 . 1 1 515 515 LEU H H 515 7.770 7.770 7.636 0.134 19383 2853 1 11 . 1 1 516 516 HIS N N 516 117.461 117.461 120.507 -3.046 19383 2854 1 11 . 1 1 516 516 HIS HA H 516 4.451 4.451 4.493 -0.042 19383 2855 1 11 . 1 1 516 516 HIS C C 516 179.871 179.871 175.483 4.388 19383 2856 1 11 . 1 1 516 516 HIS CA C 516 55.414 55.414 58.028 -2.614 19383 2857 1 11 . 1 1 516 516 HIS CB C 516 28.867 28.867 30.166 -1.299 19383 2858 1 11 . 1 1 516 516 HIS H H 516 8.126 8.126 8.173 -0.047 19383 2859 1 11 . 1 1 517 517 TYR N N 517 120.302 120.302 119.175 1.127 19383 2860 1 11 . 1 1 517 517 TYR HA H 517 4.222 4.222 4.329 -0.107 19383 2861 1 11 . 1 1 517 517 TYR C C 517 178.883 178.883 176.300 2.583 19383 2862 1 11 . 1 1 517 517 TYR CA C 517 59.410 59.410 59.714 -0.304 19383 2863 1 11 . 1 1 517 517 TYR CB C 517 38.843 38.843 37.779 1.065 19383 2864 1 11 . 1 1 517 517 TYR H H 517 8.101 8.101 7.793 0.308 19383 2865 1 11 . 1 1 518 518 TRP N N 518 118.660 118.660 117.898 0.762 19383 2866 1 11 . 1 1 518 518 TRP HA H 518 4.569 4.569 4.900 -0.331 19383 2867 1 11 . 1 1 518 518 TRP C C 518 178.468 178.468 177.263 1.205 19383 2868 1 11 . 1 1 518 518 TRP CA C 518 57.501 57.501 58.218 -0.717 19383 2869 1 11 . 1 1 518 518 TRP CB C 518 29.619 29.619 30.119 -0.500 19383 2870 1 11 . 1 1 518 518 TRP H H 518 7.665 7.665 8.206 -0.541 19383 2871 1 11 . 1 1 519 519 THR N N 519 112.373 112.373 110.381 1.992 19383 2872 1 11 . 1 1 519 519 THR HA H 519 4.351 4.351 3.755 0.596 19383 2873 1 11 . 1 1 519 519 THR C C 519 179.594 179.594 175.354 4.240 19383 2874 1 11 . 1 1 519 519 THR CA C 519 61.654 61.654 64.493 -2.839 19383 2875 1 11 . 1 1 519 519 THR CB C 519 69.859 69.859 67.425 2.434 19383 2876 1 11 . 1 1 519 519 THR H H 519 7.894 7.894 8.090 -0.196 19383 2877 1 11 . 1 1 520 520 THR N N 520 114.438 114.438 116.004 -1.566 19383 2878 1 11 . 1 1 520 520 THR HA H 520 4.256 4.256 4.381 -0.125 19383 2879 1 11 . 1 1 520 520 THR C C 520 179.419 179.419 175.541 3.878 19383 2880 1 11 . 1 1 520 520 THR CA C 520 62.019 62.019 64.463 -2.443 19383 2881 1 11 . 1 1 520 520 THR CB C 520 69.709 69.709 69.121 0.588 19383 2882 1 11 . 1 1 520 520 THR H H 520 7.957 7.957 8.601 -0.644 19383 2883 1 11 . 1 1 521 521 GLN N N 521 121.453 121.453 121.101 0.352 19383 2884 1 11 . 1 1 521 521 GLN HA H 521 4.175 4.175 4.157 0.018 19383 2885 1 11 . 1 1 521 521 GLN C C 521 178.345 178.345 176.193 2.152 19383 2886 1 11 . 1 1 521 521 GLN CA C 521 56.302 56.302 58.996 -2.694 19383 2887 1 11 . 1 1 521 521 GLN CB C 521 29.118 29.118 28.950 0.168 19383 2888 1 11 . 1 1 521 521 GLN H H 521 8.224 8.224 8.637 -0.413 19383 2889 1 11 . 1 1 522 522 ASP N N 522 120.227 120.227 117.887 2.340 19383 2890 1 11 . 1 1 522 522 ASP HA H 522 4.461 4.461 4.767 -0.306 19383 2891 1 11 . 1 1 522 522 ASP C C 522 177.838 177.838 177.420 0.418 19383 2892 1 11 . 1 1 522 522 ASP CA C 522 54.741 54.741 54.803 -0.062 19383 2893 1 11 . 1 1 522 522 ASP CB C 522 40.847 40.847 40.859 -0.012 19383 2894 1 11 . 1 1 522 522 ASP H H 522 8.155 8.155 7.780 0.375 19383 2895 1 11 . 1 1 523 523 GLU N N 523 120.511 120.511 119.811 0.700 19383 2896 1 11 . 1 1 523 523 GLU HA H 523 4.102 4.102 4.060 0.042 19383 2897 1 11 . 1 1 523 523 GLU C C 523 177.165 177.165 176.981 0.184 19383 2898 1 11 . 1 1 523 523 GLU CA C 523 57.161 57.161 58.460 -1.299 19383 2899 1 11 . 1 1 523 523 GLU CB C 523 29.153 29.153 29.534 -0.381 19383 2900 1 11 . 1 1 523 523 GLU H H 523 8.250 8.250 7.916 0.334 19383 2901 1 11 . 1 1 524 524 GLY N N 524 108.395 108.395 106.334 2.061 19383 2902 1 11 . 1 1 524 524 GLY C C 524 179.999 179.999 173.536 6.463 19383 2903 1 11 . 1 1 524 524 GLY CA C 524 45.791 45.791 44.644 1.147 19383 2904 1 11 . 1 1 524 524 GLY H H 524 8.308 8.308 7.850 0.458 19383 2905 1 11 . 1 1 525 525 ALA N N 525 123.026 123.026 123.407 -0.381 19383 2906 1 11 . 1 1 525 525 ALA HA H 525 4.139 4.139 4.656 -0.517 19383 2907 1 11 . 1 1 525 525 ALA C C 525 176.642 176.642 177.470 -0.828 19383 2908 1 11 . 1 1 525 525 ALA CA C 525 52.706 52.706 52.659 0.047 19383 2909 1 11 . 1 1 525 525 ALA CB C 525 19.148 19.148 19.945 -0.797 19383 2910 1 11 . 1 1 525 525 ALA H H 525 7.884 7.884 7.865 0.019 19383 2911 1 11 . 1 1 526 526 ALA N N 526 121.593 121.593 121.835 -0.242 19383 2912 1 11 . 1 1 526 526 ALA HA H 526 4.164 4.164 4.747 -0.583 19383 2913 1 11 . 1 1 526 526 ALA C C 526 176.320 176.320 177.541 -1.221 19383 2914 1 11 . 1 1 526 526 ALA CA C 526 52.788 52.788 52.311 0.477 19383 2915 1 11 . 1 1 526 526 ALA CB C 526 19.055 19.055 19.832 -0.777 19383 2916 1 11 . 1 1 526 526 ALA H H 526 8.027 8.027 7.848 0.179 19383 2917 1 11 . 1 1 527 527 ILE N N 527 117.907 117.907 114.454 3.453 19383 2918 1 11 . 1 1 527 527 ILE HA H 527 3.874 3.874 4.236 -0.362 19383 2919 1 11 . 1 1 527 527 ILE C C 527 177.983 177.983 177.021 0.962 19383 2920 1 11 . 1 1 527 527 ILE CA C 527 61.894 61.894 60.656 1.238 19383 2921 1 11 . 1 1 527 527 ILE CB C 527 38.485 38.485 37.697 0.788 19383 2922 1 11 . 1 1 527 527 ILE H H 527 7.913 7.913 7.815 0.098 19383 2923 1 11 . 1 1 528 528 GLY N N 528 109.328 109.328 108.848 0.480 19383 2924 1 11 . 1 1 528 528 GLY C C 528 180.040 180.040 175.330 4.710 19383 2925 1 11 . 1 1 528 528 GLY CA C 528 45.877 45.877 46.924 -1.047 19383 2926 1 11 . 1 1 528 528 GLY H H 528 8.045 8.045 8.611 -0.566 19383 2927 1 11 . 1 1 529 529 LEU N N 529 119.297 119.297 116.010 3.287 19383 2928 1 11 . 1 1 529 529 LEU HA H 529 4.076 4.076 4.748 -0.672 19383 2929 1 11 . 1 1 529 529 LEU C C 529 177.413 177.413 177.342 0.071 19383 2930 1 11 . 1 1 529 529 LEU CA C 529 55.759 55.759 55.540 0.219 19383 2931 1 11 . 1 1 529 529 LEU CB C 529 42.321 42.321 42.369 -0.048 19383 2932 1 11 . 1 1 529 529 LEU H H 529 8.083 8.083 7.447 0.636 19383 2933 1 11 . 1 1 530 530 ALA N N 530 120.355 120.355 119.568 0.787 19383 2934 1 11 . 1 1 530 530 ALA HA H 530 4.035 4.035 4.507 -0.472 19383 2935 1 11 . 1 1 530 530 ALA C C 530 177.142 177.142 178.573 -1.431 19383 2936 1 11 . 1 1 530 530 ALA CA C 530 53.814 53.814 51.597 2.217 19383 2937 1 11 . 1 1 530 530 ALA CB C 530 18.780 18.780 19.798 -1.018 19383 2938 1 11 . 1 1 530 530 ALA H H 530 8.015 8.015 7.531 0.484 19383 2939 1 11 . 1 1 531 531 TRP N N 531 114.575 114.575 123.481 -8.906 19383 2940 1 11 . 1 1 531 531 TRP HA H 531 4.589 4.589 4.582 0.007 19383 2941 1 11 . 1 1 531 531 TRP C C 531 177.968 177.968 174.977 2.991 19383 2942 1 11 . 1 1 531 531 TRP CA C 531 56.378 56.378 58.534 -2.156 19383 2943 1 11 . 1 1 531 531 TRP CB C 531 29.409 29.409 28.841 0.568 19383 2944 1 11 . 1 1 531 531 TRP H H 531 7.398 7.398 8.251 -0.853 19383 2945 1 11 . 1 1 532 532 ILE N N 532 121.501 121.501 113.027 8.474 19383 2946 1 11 . 1 1 532 532 ILE HA H 532 3.768 3.768 4.469 -0.701 19383 2947 1 11 . 1 1 532 532 ILE CA C 532 63.813 63.813 57.793 6.020 19383 2948 1 11 . 1 1 532 532 ILE H H 532 7.197 7.197 7.753 -0.556 19383 2949 1 11 . 1 1 533 533 PRO HA H 533 4.169 4.169 4.362 -0.193 19383 2950 1 11 . 1 1 533 533 PRO CA C 533 64.431 64.431 63.501 0.930 19383 2951 1 11 . 1 1 533 533 PRO CB C 533 32.238 32.238 30.669 1.569 19383 2952 1 11 . 1 1 534 534 TYR HA H 534 4.086 4.086 4.433 -0.347 19383 2953 1 11 . 1 1 534 534 TYR CA C 534 60.819 60.819 59.437 1.382 19383 2954 1 11 . 1 1 534 534 TYR CB C 534 38.437 38.437 39.060 -0.624 19383 2955 1 11 . 1 1 534 534 TYR H H 534 8.066 8.066 8.056 0.010 19383 2956 1 11 . 1 1 535 535 PHE HA H 535 4.316 4.316 4.293 0.023 19383 2957 1 11 . 1 1 535 535 PHE C C 535 175.669 175.669 176.262 -0.593 19383 2958 1 11 . 1 1 535 535 PHE CA C 535 58.885 58.885 59.571 -0.686 19383 2959 1 11 . 1 1 535 535 PHE CB C 535 40.304 40.304 39.650 0.654 19383 2960 1 11 . 1 1 535 535 PHE H H 535 8.123 8.123 8.359 -0.236 19383 2961 1 11 . 1 1 536 536 GLY N N 536 107.103 107.103 106.062 1.041 19383 2962 1 11 . 1 1 536 536 GLY CA C 536 46.510 46.510 44.822 1.688 19383 2963 1 11 . 1 1 536 536 GLY H H 536 8.031 8.031 7.925 0.106 19383 2964 1 11 . 1 1 537 537 PRO HA H 537 4.210 4.210 4.544 -0.334 19383 2965 1 11 . 1 1 537 537 PRO C C 537 175.183 175.183 176.402 -1.219 19383 2966 1 11 . 1 1 537 537 PRO CA C 537 64.563 64.563 62.668 1.895 19383 2967 1 11 . 1 1 537 537 PRO CB C 537 31.618 31.618 31.857 -0.239 19383 2968 1 11 . 1 1 538 538 ALA N N 538 120.228 120.228 120.625 -0.397 19383 2969 1 11 . 1 1 538 538 ALA HA H 538 4.095 4.095 4.077 0.018 19383 2970 1 11 . 1 1 538 538 ALA C C 538 175.268 175.268 178.295 -3.027 19383 2971 1 11 . 1 1 538 538 ALA CA C 538 54.373 54.373 54.123 0.250 19383 2972 1 11 . 1 1 538 538 ALA CB C 538 18.694 18.694 19.003 -0.309 19383 2973 1 11 . 1 1 538 538 ALA H H 538 7.799 7.799 8.476 -0.677 19383 2974 1 11 . 1 1 539 539 ALA N N 539 120.412 120.412 120.558 -0.146 19383 2975 1 11 . 1 1 539 539 ALA HA H 539 3.883 3.883 4.035 -0.152 19383 2976 1 11 . 1 1 539 539 ALA C C 539 175.516 175.516 179.970 -4.454 19383 2977 1 11 . 1 1 539 539 ALA CA C 539 54.526 54.526 54.373 0.153 19383 2978 1 11 . 1 1 539 539 ALA CB C 539 18.780 18.780 17.280 1.500 19383 2979 1 11 . 1 1 539 539 ALA H H 539 8.208 8.208 8.068 0.140 19383 2980 1 11 . 1 1 540 540 GLU N N 540 116.209 116.209 119.949 -3.740 19383 2981 1 11 . 1 1 540 540 GLU HA H 540 3.933 3.933 4.093 -0.160 19383 2982 1 11 . 1 1 540 540 GLU C C 540 176.525 176.525 177.386 -0.861 19383 2983 1 11 . 1 1 540 540 GLU CA C 540 58.522 58.522 59.011 -0.489 19383 2984 1 11 . 1 1 540 540 GLU CB C 540 28.907 28.907 29.502 -0.595 19383 2985 1 11 . 1 1 540 540 GLU H H 540 8.162 8.162 8.601 -0.439 19383 2986 1 11 . 1 1 541 541 GLY N N 541 107.297 107.297 104.394 2.903 19383 2987 1 11 . 1 1 541 541 GLY C C 541 178.784 178.784 174.469 4.315 19383 2988 1 11 . 1 1 541 541 GLY CA C 541 45.692 45.692 45.032 0.660 19383 2989 1 11 . 1 1 541 541 GLY H H 541 8.033 8.033 8.360 -0.327 19383 2990 1 11 . 1 1 542 542 ILE N N 542 121.066 121.066 117.194 3.872 19383 2991 1 11 . 1 1 542 542 ILE HA H 542 3.765 3.765 3.724 0.041 19383 2992 1 11 . 1 1 542 542 ILE C C 542 176.804 176.804 176.017 0.787 19383 2993 1 11 . 1 1 542 542 ILE CA C 542 63.871 63.871 62.237 1.634 19383 2994 1 11 . 1 1 542 542 ILE CB C 542 38.075 38.075 37.427 0.648 19383 2995 1 11 . 1 1 542 542 ILE H H 542 7.870 7.870 7.312 0.558 19383 2996 1 11 . 1 1 543 543 TYR N N 543 120.347 120.347 119.326 1.021 19383 2997 1 11 . 1 1 543 543 TYR HA H 543 4.144 4.144 4.552 -0.408 19383 2998 1 11 . 1 1 543 543 TYR C C 543 179.780 179.780 175.999 3.781 19383 2999 1 11 . 1 1 543 543 TYR CA C 543 60.629 60.629 58.918 1.711 19383 3000 1 11 . 1 1 543 543 TYR CB C 543 38.425 38.425 40.080 -1.655 19383 3001 1 11 . 1 1 543 543 TYR H H 543 8.066 8.066 8.056 0.010 19383 3002 1 11 . 1 1 544 544 ALA N N 544 119.787 119.787 121.880 -2.093 19383 3003 1 11 . 1 1 544 544 ALA HA H 544 3.926 3.926 4.452 -0.526 19383 3004 1 11 . 1 1 544 544 ALA C C 544 175.014 175.014 177.488 -2.474 19383 3005 1 11 . 1 1 544 544 ALA CA C 544 54.262 54.262 53.322 0.940 19383 3006 1 11 . 1 1 544 544 ALA CB C 544 18.991 18.991 19.702 -0.711 19383 3007 1 11 . 1 1 544 544 ALA H H 544 7.910 7.910 7.923 -0.013 19383 3008 1 11 . 1 1 545 545 GLU N N 545 115.906 115.906 118.407 -2.501 19383 3009 1 11 . 1 1 545 545 GLU HA H 545 4.056 4.056 4.441 -0.385 19383 3010 1 11 . 1 1 545 545 GLU C C 545 176.541 176.541 177.932 -1.391 19383 3011 1 11 . 1 1 545 545 GLU CA C 545 56.978 56.978 56.103 0.875 19383 3012 1 11 . 1 1 545 545 GLU CB C 545 29.625 29.625 31.979 -2.354 19383 3013 1 11 . 1 1 545 545 GLU H H 545 7.866 7.866 7.707 0.159 19383 3014 1 11 . 1 1 546 546 GLY N N 546 107.293 107.293 109.252 -1.959 19383 3015 1 11 . 1 1 546 546 GLY C C 546 180.358 180.358 174.267 6.091 19383 3016 1 11 . 1 1 546 546 GLY CA C 546 45.645 45.645 46.918 -1.273 19383 3017 1 11 . 1 1 546 546 GLY H H 546 8.019 8.019 8.072 -0.053 19383 3018 1 11 . 1 1 547 547 LEU N N 547 121.469 121.469 113.938 7.531 19383 3019 1 11 . 1 1 547 547 LEU HA H 547 4.147 4.147 4.507 -0.360 19383 3020 1 11 . 1 1 547 547 LEU C C 547 176.730 176.730 176.369 0.361 19383 3021 1 11 . 1 1 547 547 LEU CA C 547 55.851 55.851 56.216 -0.365 19383 3022 1 11 . 1 1 547 547 LEU CB C 547 42.514 42.514 41.828 0.686 19383 3023 1 11 . 1 1 547 547 LEU H H 547 7.892 7.892 7.811 0.081 19383 3024 1 11 . 1 1 548 548 MET N N 548 116.092 116.092 119.693 -3.601 19383 3025 1 11 . 1 1 548 548 MET HA H 548 4.218 4.218 4.533 -0.315 19383 3026 1 11 . 1 1 548 548 MET C C 548 177.832 177.832 177.720 0.112 19383 3027 1 11 . 1 1 548 548 MET CA C 548 55.861 55.861 55.973 -0.112 19383 3028 1 11 . 1 1 548 548 MET CB C 548 32.338 32.338 32.631 -0.293 19383 3029 1 11 . 1 1 548 548 MET H H 548 7.995 7.995 8.154 -0.159 19383 3030 1 11 . 1 1 549 549 HIS N N 549 116.959 116.959 118.466 -1.507 19383 3031 1 11 . 1 1 549 549 HIS HA H 549 4.577 4.577 4.582 -0.005 19383 3032 1 11 . 1 1 549 549 HIS C C 549 179.852 179.852 175.198 4.654 19383 3033 1 11 . 1 1 549 549 HIS CA C 549 55.656 55.656 57.742 -2.086 19383 3034 1 11 . 1 1 549 549 HIS CB C 549 28.847 28.847 29.090 -0.242 19383 3035 1 11 . 1 1 549 549 HIS H H 549 8.074 8.074 8.493 -0.419 19383 3036 1 11 . 1 1 550 550 ASN N N 550 118.599 118.599 115.004 3.595 19383 3037 1 11 . 1 1 550 550 ASN HA H 550 4.611 4.611 4.624 -0.013 19383 3038 1 11 . 1 1 550 550 ASN C C 550 178.753 178.753 175.295 3.458 19383 3039 1 11 . 1 1 550 550 ASN CA C 550 53.651 53.651 53.959 -0.308 19383 3040 1 11 . 1 1 550 550 ASN CB C 550 38.884 38.884 39.610 -0.726 19383 3041 1 11 . 1 1 550 550 ASN H H 550 8.235 8.235 7.739 0.496 19383 3042 1 11 . 1 1 551 551 GLN N N 551 119.902 119.902 120.079 -0.177 19383 3043 1 11 . 1 1 551 551 GLN HA H 551 4.203 4.203 4.214 -0.011 19383 3044 1 11 . 1 1 551 551 GLN C C 551 178.390 178.390 175.532 2.858 19383 3045 1 11 . 1 1 551 551 GLN CA C 551 56.276 56.276 55.285 0.992 19383 3046 1 11 . 1 1 551 551 GLN CB C 551 28.931 28.931 26.098 2.833 19383 3047 1 11 . 1 1 551 551 GLN H H 551 8.359 8.359 7.491 0.868 19383 3048 1 11 . 1 1 552 552 ASP N N 552 119.524 119.524 119.675 -0.151 19383 3049 1 11 . 1 1 552 552 ASP HA H 552 4.448 4.448 4.813 -0.365 19383 3050 1 11 . 1 1 552 552 ASP C C 552 177.522 177.522 176.160 1.362 19383 3051 1 11 . 1 1 552 552 ASP CA C 552 54.856 54.856 54.574 0.282 19383 3052 1 11 . 1 1 552 552 ASP CB C 552 40.814 40.814 40.936 -0.122 19383 3053 1 11 . 1 1 552 552 ASP H H 552 8.190 8.190 8.310 -0.120 19383 3054 1 11 . 1 1 553 553 GLY N N 553 108.043 108.043 106.154 1.889 19383 3055 1 11 . 1 1 553 553 GLY C C 553 179.757 179.757 174.891 4.866 19383 3056 1 11 . 1 1 553 553 GLY CA C 553 45.626 45.626 45.333 0.293 19383 3057 1 11 . 1 1 553 553 GLY H H 553 8.130 8.130 8.060 0.070 19383 3058 1 11 . 1 1 554 554 LEU N N 554 121.485 121.485 121.237 0.248 19383 3059 1 11 . 1 1 554 554 LEU HA H 554 4.168 4.168 4.038 0.130 19383 3060 1 11 . 1 1 554 554 LEU C C 554 176.732 176.732 178.296 -1.564 19383 3061 1 11 . 1 1 554 554 LEU CA C 554 56.145 56.145 57.904 -1.759 19383 3062 1 11 . 1 1 554 554 LEU CB C 554 42.513 42.513 41.790 0.723 19383 3063 1 11 . 1 1 554 554 LEU H H 554 8.081 8.081 7.901 0.180 19383 3064 1 11 . 1 1 555 555 ILE N N 555 117.390 117.390 118.409 -1.019 19383 3065 1 11 . 1 1 555 555 ILE HA H 555 3.954 3.954 4.054 -0.100 19383 3066 1 11 . 1 1 555 555 ILE C C 555 178.242 178.242 176.453 1.789 19383 3067 1 11 . 1 1 555 555 ILE CA C 555 61.929 61.929 58.985 2.944 19383 3068 1 11 . 1 1 555 555 ILE CB C 555 38.317 38.317 34.441 3.876 19383 3069 1 11 . 1 1 555 555 ILE H H 555 7.976 7.976 7.891 0.085 19383 3070 1 11 . 1 1 556 556 CYS N N 556 119.495 119.495 122.847 -3.352 19383 3071 1 11 . 1 1 556 556 CYS HA H 556 4.411 4.411 4.290 0.121 19383 3072 1 11 . 1 1 556 556 CYS C C 556 178.872 178.872 176.925 1.947 19383 3073 1 11 . 1 1 556 556 CYS CA C 556 56.233 56.233 61.699 -5.466 19383 3074 1 11 . 1 1 556 556 CYS CB C 556 41.438 41.438 26.369 15.069 19383 3075 1 11 . 1 1 556 556 CYS H H 556 8.214 8.214 8.557 -0.343 19383 3076 1 11 . 1 1 557 557 GLY N N 557 108.419 108.419 108.053 0.366 19383 3077 1 11 . 1 1 557 557 GLY C C 557 180.393 180.393 176.089 4.304 19383 3078 1 11 . 1 1 557 557 GLY CA C 557 45.701 45.701 46.953 -1.252 19383 3079 1 11 . 1 1 557 557 GLY H H 557 8.141 8.141 8.531 -0.390 19383 3080 1 11 . 1 1 558 558 LEU N N 558 120.318 120.318 118.417 1.901 19383 3081 1 11 . 1 1 558 558 LEU HA H 558 4.237 4.237 4.002 0.235 19383 3082 1 11 . 1 1 558 558 LEU C C 558 177.398 177.398 177.287 0.111 19383 3083 1 11 . 1 1 558 558 LEU CA C 558 55.730 55.730 56.879 -1.149 19383 3084 1 11 . 1 1 558 558 LEU CB C 558 42.585 42.585 41.793 0.792 19383 3085 1 11 . 1 1 558 558 LEU H H 558 7.837 7.837 7.459 0.378 19383 3086 1 11 . 1 1 559 559 ARG N N 559 119.828 119.828 116.868 2.960 19383 3087 1 11 . 1 1 559 559 ARG HA H 559 4.245 4.245 3.941 0.304 19383 3088 1 11 . 1 1 559 559 ARG C C 559 179.052 179.052 176.121 2.931 19383 3089 1 11 . 1 1 559 559 ARG CA C 559 55.773 55.773 57.196 -1.423 19383 3090 1 11 . 1 1 559 559 ARG CB C 559 31.191 31.191 29.084 2.107 19383 3091 1 11 . 1 1 559 559 ARG H H 559 8.007 8.007 7.757 0.250 19383 3092 1 12 . 1 1 508 508 GLN N N 508 120.721 120.721 121.993 -1.272 19383 3093 1 12 . 1 1 508 508 GLN HA H 508 4.607 4.607 4.624 -0.017 19383 3094 1 12 . 1 1 508 508 GLN CA C 508 53.627 53.627 54.407 -0.780 19383 3095 1 12 . 1 1 508 508 GLN CB C 508 28.849 28.849 30.145 -1.296 19383 3096 1 12 . 1 1 508 508 GLN H H 508 8.575 8.575 8.411 0.165 19383 3097 1 12 . 1 1 509 509 PRO HA H 509 4.329 4.329 4.678 -0.349 19383 3098 1 12 . 1 1 509 509 PRO C C 509 177.740 177.740 176.709 1.031 19383 3099 1 12 . 1 1 509 509 PRO CA C 509 63.094 63.094 62.420 0.674 19383 3100 1 12 . 1 1 509 509 PRO CB C 509 32.083 32.083 30.449 1.634 19383 3101 1 12 . 1 1 510 510 LYS N N 510 121.228 121.228 120.625 0.603 19383 3102 1 12 . 1 1 510 510 LYS HA H 510 4.233 4.233 3.868 0.365 19383 3103 1 12 . 1 1 510 510 LYS C C 510 177.951 177.951 176.467 1.484 19383 3104 1 12 . 1 1 510 510 LYS CA C 510 55.910 55.910 57.688 -1.778 19383 3105 1 12 . 1 1 510 510 LYS CB C 510 32.985 32.985 30.905 2.080 19383 3106 1 12 . 1 1 510 510 LYS H H 510 8.330 8.330 7.893 0.437 19383 3107 1 12 . 1 1 511 511 CYS N N 511 119.374 119.374 119.464 -0.090 19383 3108 1 12 . 1 1 511 511 CYS HA H 511 4.562 4.562 4.386 0.176 19383 3109 1 12 . 1 1 511 511 CYS C C 511 180.885 180.885 173.798 7.087 19383 3110 1 12 . 1 1 511 511 CYS CA C 511 55.085 55.085 59.540 -4.455 19383 3111 1 12 . 1 1 511 511 CYS CB C 511 41.809 41.809 25.411 16.398 19383 3112 1 12 . 1 1 511 511 CYS H H 511 8.284 8.284 8.548 -0.264 19383 3113 1 12 . 1 1 512 512 ASN N N 512 122.292 122.292 119.824 2.468 19383 3114 1 12 . 1 1 512 512 ASN HA H 512 4.898 4.898 5.080 -0.182 19383 3115 1 12 . 1 1 512 512 ASN CA C 512 50.921 50.921 51.931 -1.010 19383 3116 1 12 . 1 1 512 512 ASN CB C 512 39.105 39.105 40.790 -1.685 19383 3117 1 12 . 1 1 512 512 ASN H H 512 8.614 8.614 8.436 0.178 19383 3118 1 12 . 1 1 513 513 PRO HA H 513 4.294 4.294 4.994 -0.700 19383 3119 1 12 . 1 1 513 513 PRO C C 513 177.920 177.920 176.497 1.423 19383 3120 1 12 . 1 1 513 513 PRO CA C 513 63.373 63.373 63.118 0.255 19383 3121 1 12 . 1 1 513 513 PRO CB C 513 31.880 31.880 31.430 0.450 19383 3122 1 12 . 1 1 514 514 ASN N N 514 117.476 117.476 118.363 -0.887 19383 3123 1 12 . 1 1 514 514 ASN HA H 514 4.557 4.557 4.754 -0.197 19383 3124 1 12 . 1 1 514 514 ASN C C 514 179.369 179.369 175.516 3.853 19383 3125 1 12 . 1 1 514 514 ASN CA C 514 53.454 53.454 54.152 -0.698 19383 3126 1 12 . 1 1 514 514 ASN CB C 514 38.954 38.954 39.174 -0.220 19383 3127 1 12 . 1 1 514 514 ASN H H 514 8.285 8.285 8.390 -0.105 19383 3128 1 12 . 1 1 515 515 LEU N N 515 121.054 121.054 119.820 1.234 19383 3129 1 12 . 1 1 515 515 LEU HA H 515 4.154 4.154 4.683 -0.529 19383 3130 1 12 . 1 1 515 515 LEU C C 515 177.719 177.719 177.152 0.567 19383 3131 1 12 . 1 1 515 515 LEU CA C 515 55.268 55.268 55.107 0.161 19383 3132 1 12 . 1 1 515 515 LEU CB C 515 42.079 42.079 40.362 1.716 19383 3133 1 12 . 1 1 515 515 LEU H H 515 7.770 7.770 7.759 0.011 19383 3134 1 12 . 1 1 516 516 HIS N N 516 117.461 117.461 121.371 -3.910 19383 3135 1 12 . 1 1 516 516 HIS HA H 516 4.451 4.451 4.591 -0.140 19383 3136 1 12 . 1 1 516 516 HIS C C 516 179.871 179.871 175.590 4.281 19383 3137 1 12 . 1 1 516 516 HIS CA C 516 55.414 55.414 58.942 -3.528 19383 3138 1 12 . 1 1 516 516 HIS CB C 516 28.867 28.867 30.245 -1.378 19383 3139 1 12 . 1 1 516 516 HIS H H 516 8.126 8.126 8.474 -0.348 19383 3140 1 12 . 1 1 517 517 TYR N N 517 120.302 120.302 118.494 1.808 19383 3141 1 12 . 1 1 517 517 TYR HA H 517 4.222 4.222 4.337 -0.115 19383 3142 1 12 . 1 1 517 517 TYR C C 517 178.883 178.883 176.186 2.697 19383 3143 1 12 . 1 1 517 517 TYR CA C 517 59.410 59.410 60.267 -0.857 19383 3144 1 12 . 1 1 517 517 TYR CB C 517 38.843 38.843 38.268 0.575 19383 3145 1 12 . 1 1 517 517 TYR H H 517 8.101 8.101 8.162 -0.061 19383 3146 1 12 . 1 1 518 518 TRP N N 518 118.660 118.660 117.230 1.430 19383 3147 1 12 . 1 1 518 518 TRP HA H 518 4.569 4.569 4.897 -0.328 19383 3148 1 12 . 1 1 518 518 TRP C C 518 178.468 178.468 177.165 1.303 19383 3149 1 12 . 1 1 518 518 TRP CA C 518 57.501 57.501 57.969 -0.468 19383 3150 1 12 . 1 1 518 518 TRP CB C 518 29.619 29.619 30.003 -0.384 19383 3151 1 12 . 1 1 518 518 TRP H H 518 7.665 7.665 8.041 -0.377 19383 3152 1 12 . 1 1 519 519 THR N N 519 112.373 112.373 110.195 2.178 19383 3153 1 12 . 1 1 519 519 THR HA H 519 4.351 4.351 3.919 0.432 19383 3154 1 12 . 1 1 519 519 THR C C 519 179.594 179.594 175.514 4.080 19383 3155 1 12 . 1 1 519 519 THR CA C 519 61.654 61.654 64.548 -2.894 19383 3156 1 12 . 1 1 519 519 THR CB C 519 69.859 69.859 67.510 2.349 19383 3157 1 12 . 1 1 519 519 THR H H 519 7.894 7.894 8.056 -0.162 19383 3158 1 12 . 1 1 520 520 THR N N 520 114.438 114.438 115.749 -1.311 19383 3159 1 12 . 1 1 520 520 THR HA H 520 4.256 4.256 4.328 -0.072 19383 3160 1 12 . 1 1 520 520 THR C C 520 179.419 179.419 175.339 4.080 19383 3161 1 12 . 1 1 520 520 THR CA C 520 62.019 62.019 63.608 -1.589 19383 3162 1 12 . 1 1 520 520 THR CB C 520 69.709 69.709 68.827 0.882 19383 3163 1 12 . 1 1 520 520 THR H H 520 7.957 7.957 8.534 -0.577 19383 3164 1 12 . 1 1 521 521 GLN N N 521 121.453 121.453 121.297 0.156 19383 3165 1 12 . 1 1 521 521 GLN HA H 521 4.175 4.175 4.163 0.012 19383 3166 1 12 . 1 1 521 521 GLN C C 521 178.345 178.345 176.345 2.000 19383 3167 1 12 . 1 1 521 521 GLN CA C 521 56.302 56.302 58.990 -2.688 19383 3168 1 12 . 1 1 521 521 GLN CB C 521 29.118 29.118 29.085 0.033 19383 3169 1 12 . 1 1 521 521 GLN H H 521 8.224 8.224 8.623 -0.399 19383 3170 1 12 . 1 1 522 522 ASP N N 522 120.227 120.227 117.651 2.576 19383 3171 1 12 . 1 1 522 522 ASP HA H 522 4.461 4.461 4.764 -0.303 19383 3172 1 12 . 1 1 522 522 ASP C C 522 177.838 177.838 177.320 0.518 19383 3173 1 12 . 1 1 522 522 ASP CA C 522 54.741 54.741 54.692 0.049 19383 3174 1 12 . 1 1 522 522 ASP CB C 522 40.847 40.847 40.802 0.045 19383 3175 1 12 . 1 1 522 522 ASP H H 522 8.155 8.155 7.837 0.318 19383 3176 1 12 . 1 1 523 523 GLU N N 523 120.511 120.511 119.425 1.086 19383 3177 1 12 . 1 1 523 523 GLU HA H 523 4.102 4.102 4.176 -0.074 19383 3178 1 12 . 1 1 523 523 GLU C C 523 177.165 177.165 177.452 -0.287 19383 3179 1 12 . 1 1 523 523 GLU CA C 523 57.161 57.161 58.261 -1.099 19383 3180 1 12 . 1 1 523 523 GLU CB C 523 29.153 29.153 29.507 -0.354 19383 3181 1 12 . 1 1 523 523 GLU H H 523 8.250 8.250 7.808 0.442 19383 3182 1 12 . 1 1 524 524 GLY N N 524 108.395 108.395 105.404 2.991 19383 3183 1 12 . 1 1 524 524 GLY C C 524 179.999 179.999 173.477 6.522 19383 3184 1 12 . 1 1 524 524 GLY CA C 524 45.791 45.791 44.515 1.276 19383 3185 1 12 . 1 1 524 524 GLY H H 524 8.308 8.308 7.804 0.504 19383 3186 1 12 . 1 1 525 525 ALA N N 525 123.026 123.026 123.336 -0.310 19383 3187 1 12 . 1 1 525 525 ALA HA H 525 4.139 4.139 4.622 -0.483 19383 3188 1 12 . 1 1 525 525 ALA C C 525 176.642 176.642 177.414 -0.772 19383 3189 1 12 . 1 1 525 525 ALA CA C 525 52.706 52.706 52.605 0.101 19383 3190 1 12 . 1 1 525 525 ALA CB C 525 19.148 19.148 19.932 -0.784 19383 3191 1 12 . 1 1 525 525 ALA H H 525 7.884 7.884 7.824 0.060 19383 3192 1 12 . 1 1 526 526 ALA N N 526 121.593 121.593 121.897 -0.304 19383 3193 1 12 . 1 1 526 526 ALA HA H 526 4.164 4.164 4.708 -0.544 19383 3194 1 12 . 1 1 526 526 ALA C C 526 176.320 176.320 176.715 -0.395 19383 3195 1 12 . 1 1 526 526 ALA CA C 526 52.788 52.788 52.209 0.579 19383 3196 1 12 . 1 1 526 526 ALA CB C 526 19.055 19.055 19.947 -0.892 19383 3197 1 12 . 1 1 526 526 ALA H H 526 8.027 8.027 7.904 0.123 19383 3198 1 12 . 1 1 527 527 ILE N N 527 117.907 117.907 113.846 4.061 19383 3199 1 12 . 1 1 527 527 ILE HA H 527 3.874 3.874 4.222 -0.348 19383 3200 1 12 . 1 1 527 527 ILE C C 527 177.983 177.983 177.167 0.816 19383 3201 1 12 . 1 1 527 527 ILE CA C 527 61.894 61.894 60.517 1.377 19383 3202 1 12 . 1 1 527 527 ILE CB C 527 38.485 38.485 37.621 0.864 19383 3203 1 12 . 1 1 527 527 ILE H H 527 7.913 7.913 7.673 0.240 19383 3204 1 12 . 1 1 528 528 GLY N N 528 109.328 109.328 108.688 0.640 19383 3205 1 12 . 1 1 528 528 GLY C C 528 180.040 180.040 175.344 4.696 19383 3206 1 12 . 1 1 528 528 GLY CA C 528 45.877 45.877 46.859 -0.982 19383 3207 1 12 . 1 1 528 528 GLY H H 528 8.045 8.045 8.593 -0.548 19383 3208 1 12 . 1 1 529 529 LEU N N 529 119.297 119.297 116.769 2.528 19383 3209 1 12 . 1 1 529 529 LEU HA H 529 4.076 4.076 4.777 -0.701 19383 3210 1 12 . 1 1 529 529 LEU C C 529 177.413 177.413 177.567 -0.154 19383 3211 1 12 . 1 1 529 529 LEU CA C 529 55.759 55.759 55.831 -0.072 19383 3212 1 12 . 1 1 529 529 LEU CB C 529 42.321 42.321 42.391 -0.070 19383 3213 1 12 . 1 1 529 529 LEU H H 529 8.083 8.083 7.537 0.546 19383 3214 1 12 . 1 1 530 530 ALA N N 530 120.355 120.355 119.039 1.316 19383 3215 1 12 . 1 1 530 530 ALA HA H 530 4.035 4.035 4.551 -0.516 19383 3216 1 12 . 1 1 530 530 ALA C C 530 177.142 177.142 177.926 -0.784 19383 3217 1 12 . 1 1 530 530 ALA CA C 530 53.814 53.814 51.684 2.130 19383 3218 1 12 . 1 1 530 530 ALA CB C 530 18.780 18.780 19.410 -0.630 19383 3219 1 12 . 1 1 530 530 ALA H H 530 8.015 8.015 7.484 0.531 19383 3220 1 12 . 1 1 531 531 TRP N N 531 114.575 114.575 120.259 -5.684 19383 3221 1 12 . 1 1 531 531 TRP HA H 531 4.589 4.589 4.464 0.125 19383 3222 1 12 . 1 1 531 531 TRP C C 531 177.968 177.968 175.235 2.733 19383 3223 1 12 . 1 1 531 531 TRP CA C 531 56.378 56.378 59.319 -2.941 19383 3224 1 12 . 1 1 531 531 TRP CB C 531 29.409 29.409 30.036 -0.627 19383 3225 1 12 . 1 1 531 531 TRP H H 531 7.398 7.398 8.156 -0.758 19383 3226 1 12 . 1 1 532 532 ILE N N 532 121.501 121.501 112.464 9.037 19383 3227 1 12 . 1 1 532 532 ILE HA H 532 3.768 3.768 4.593 -0.825 19383 3228 1 12 . 1 1 532 532 ILE CA C 532 63.813 63.813 57.410 6.403 19383 3229 1 12 . 1 1 532 532 ILE H H 532 7.197 7.197 7.292 -0.095 19383 3230 1 12 . 1 1 533 533 PRO HA H 533 4.169 4.169 4.194 -0.025 19383 3231 1 12 . 1 1 533 533 PRO CA C 533 64.431 64.431 63.507 0.924 19383 3232 1 12 . 1 1 533 533 PRO CB C 533 32.238 32.238 30.569 1.669 19383 3233 1 12 . 1 1 534 534 TYR HA H 534 4.086 4.086 4.530 -0.445 19383 3234 1 12 . 1 1 534 534 TYR CA C 534 60.819 60.819 58.274 2.545 19383 3235 1 12 . 1 1 534 534 TYR CB C 534 38.437 38.437 37.918 0.519 19383 3236 1 12 . 1 1 534 534 TYR H H 534 8.066 8.066 7.731 0.335 19383 3237 1 12 . 1 1 535 535 PHE HA H 535 4.316 4.316 4.164 0.152 19383 3238 1 12 . 1 1 535 535 PHE C C 535 175.669 175.669 176.449 -0.780 19383 3239 1 12 . 1 1 535 535 PHE CA C 535 58.885 58.885 58.974 -0.089 19383 3240 1 12 . 1 1 535 535 PHE CB C 535 40.304 40.304 39.243 1.061 19383 3241 1 12 . 1 1 535 535 PHE H H 535 8.123 8.123 7.572 0.551 19383 3242 1 12 . 1 1 536 536 GLY N N 536 107.103 107.103 105.923 1.180 19383 3243 1 12 . 1 1 536 536 GLY CA C 536 46.510 46.510 44.826 1.684 19383 3244 1 12 . 1 1 536 536 GLY H H 536 8.031 8.031 7.819 0.212 19383 3245 1 12 . 1 1 537 537 PRO HA H 537 4.210 4.210 4.523 -0.313 19383 3246 1 12 . 1 1 537 537 PRO C C 537 175.183 175.183 176.451 -1.268 19383 3247 1 12 . 1 1 537 537 PRO CA C 537 64.563 64.563 62.536 2.027 19383 3248 1 12 . 1 1 537 537 PRO CB C 537 31.618 31.618 31.789 -0.171 19383 3249 1 12 . 1 1 538 538 ALA N N 538 120.228 120.228 121.408 -1.180 19383 3250 1 12 . 1 1 538 538 ALA HA H 538 4.095 4.095 4.023 0.072 19383 3251 1 12 . 1 1 538 538 ALA C C 538 175.268 175.268 178.745 -3.477 19383 3252 1 12 . 1 1 538 538 ALA CA C 538 54.373 54.373 54.228 0.145 19383 3253 1 12 . 1 1 538 538 ALA CB C 538 18.694 18.694 18.548 0.146 19383 3254 1 12 . 1 1 538 538 ALA H H 538 7.799 7.799 8.225 -0.426 19383 3255 1 12 . 1 1 539 539 ALA N N 539 120.412 120.412 119.276 1.136 19383 3256 1 12 . 1 1 539 539 ALA HA H 539 3.883 3.883 4.077 -0.194 19383 3257 1 12 . 1 1 539 539 ALA C C 539 175.516 175.516 179.662 -4.146 19383 3258 1 12 . 1 1 539 539 ALA CA C 539 54.526 54.526 54.614 -0.087 19383 3259 1 12 . 1 1 539 539 ALA CB C 539 18.780 18.780 16.977 1.803 19383 3260 1 12 . 1 1 539 539 ALA H H 539 8.208 8.208 8.363 -0.155 19383 3261 1 12 . 1 1 540 540 GLU N N 540 116.209 116.209 119.784 -3.575 19383 3262 1 12 . 1 1 540 540 GLU HA H 540 3.933 3.933 4.128 -0.195 19383 3263 1 12 . 1 1 540 540 GLU C C 540 176.525 176.525 177.310 -0.785 19383 3264 1 12 . 1 1 540 540 GLU CA C 540 58.522 58.522 59.058 -0.536 19383 3265 1 12 . 1 1 540 540 GLU CB C 540 28.907 28.907 29.469 -0.562 19383 3266 1 12 . 1 1 540 540 GLU H H 540 8.162 8.162 8.626 -0.464 19383 3267 1 12 . 1 1 541 541 GLY N N 541 107.297 107.297 104.184 3.113 19383 3268 1 12 . 1 1 541 541 GLY C C 541 178.784 178.784 174.809 3.975 19383 3269 1 12 . 1 1 541 541 GLY CA C 541 45.692 45.692 45.153 0.539 19383 3270 1 12 . 1 1 541 541 GLY H H 541 8.033 8.033 8.437 -0.404 19383 3271 1 12 . 1 1 542 542 ILE N N 542 121.066 121.066 118.059 3.007 19383 3272 1 12 . 1 1 542 542 ILE HA H 542 3.765 3.765 3.805 -0.040 19383 3273 1 12 . 1 1 542 542 ILE C C 542 176.804 176.804 176.361 0.443 19383 3274 1 12 . 1 1 542 542 ILE CA C 542 63.871 63.871 61.873 1.998 19383 3275 1 12 . 1 1 542 542 ILE CB C 542 38.075 38.075 37.541 0.534 19383 3276 1 12 . 1 1 542 542 ILE H H 542 7.870 7.870 7.582 0.288 19383 3277 1 12 . 1 1 543 543 TYR N N 543 120.347 120.347 119.147 1.200 19383 3278 1 12 . 1 1 543 543 TYR HA H 543 4.144 4.144 4.565 -0.421 19383 3279 1 12 . 1 1 543 543 TYR C C 543 179.780 179.780 176.000 3.780 19383 3280 1 12 . 1 1 543 543 TYR CA C 543 60.629 60.629 59.113 1.516 19383 3281 1 12 . 1 1 543 543 TYR CB C 543 38.425 38.425 40.233 -1.808 19383 3282 1 12 . 1 1 543 543 TYR H H 543 8.066 8.066 8.183 -0.117 19383 3283 1 12 . 1 1 544 544 ALA N N 544 119.787 119.787 121.993 -2.206 19383 3284 1 12 . 1 1 544 544 ALA HA H 544 3.926 3.926 4.548 -0.622 19383 3285 1 12 . 1 1 544 544 ALA C C 544 175.014 175.014 177.450 -2.436 19383 3286 1 12 . 1 1 544 544 ALA CA C 544 54.262 54.262 53.230 1.032 19383 3287 1 12 . 1 1 544 544 ALA CB C 544 18.991 18.991 19.998 -1.007 19383 3288 1 12 . 1 1 544 544 ALA H H 544 7.910 7.910 7.979 -0.069 19383 3289 1 12 . 1 1 545 545 GLU N N 545 115.906 115.906 118.494 -2.588 19383 3290 1 12 . 1 1 545 545 GLU HA H 545 4.056 4.056 4.467 -0.411 19383 3291 1 12 . 1 1 545 545 GLU C C 545 176.541 176.541 178.072 -1.531 19383 3292 1 12 . 1 1 545 545 GLU CA C 545 56.978 56.978 56.243 0.735 19383 3293 1 12 . 1 1 545 545 GLU CB C 545 29.625 29.625 32.197 -2.572 19383 3294 1 12 . 1 1 545 545 GLU H H 545 7.866 7.866 7.919 -0.053 19383 3295 1 12 . 1 1 546 546 GLY N N 546 107.293 107.293 109.347 -2.054 19383 3296 1 12 . 1 1 546 546 GLY C C 546 180.358 180.358 174.189 6.169 19383 3297 1 12 . 1 1 546 546 GLY CA C 546 45.645 45.645 47.000 -1.355 19383 3298 1 12 . 1 1 546 546 GLY H H 546 8.019 8.019 8.457 -0.438 19383 3299 1 12 . 1 1 547 547 LEU N N 547 121.469 121.469 113.774 7.695 19383 3300 1 12 . 1 1 547 547 LEU HA H 547 4.147 4.147 4.278 -0.131 19383 3301 1 12 . 1 1 547 547 LEU C C 547 176.730 176.730 176.144 0.586 19383 3302 1 12 . 1 1 547 547 LEU CA C 547 55.851 55.851 55.930 -0.079 19383 3303 1 12 . 1 1 547 547 LEU CB C 547 42.514 42.514 41.901 0.613 19383 3304 1 12 . 1 1 547 547 LEU H H 547 7.892 7.892 7.356 0.536 19383 3305 1 12 . 1 1 548 548 MET N N 548 116.092 116.092 119.101 -3.009 19383 3306 1 12 . 1 1 548 548 MET HA H 548 4.218 4.218 4.411 -0.193 19383 3307 1 12 . 1 1 548 548 MET C C 548 177.832 177.832 177.226 0.606 19383 3308 1 12 . 1 1 548 548 MET CA C 548 55.861 55.861 55.130 0.731 19383 3309 1 12 . 1 1 548 548 MET CB C 548 32.338 32.338 32.545 -0.207 19383 3310 1 12 . 1 1 548 548 MET H H 548 7.995 7.995 7.926 0.069 19383 3311 1 12 . 1 1 549 549 HIS N N 549 116.959 116.959 116.248 0.711 19383 3312 1 12 . 1 1 549 549 HIS HA H 549 4.577 4.577 4.670 -0.093 19383 3313 1 12 . 1 1 549 549 HIS C C 549 179.852 179.852 175.105 4.747 19383 3314 1 12 . 1 1 549 549 HIS CA C 549 55.656 55.656 57.415 -1.759 19383 3315 1 12 . 1 1 549 549 HIS CB C 549 28.847 28.847 28.678 0.169 19383 3316 1 12 . 1 1 549 549 HIS H H 549 8.074 8.074 8.004 0.070 19383 3317 1 12 . 1 1 550 550 ASN N N 550 118.599 118.599 117.912 0.687 19383 3318 1 12 . 1 1 550 550 ASN HA H 550 4.611 4.611 4.715 -0.104 19383 3319 1 12 . 1 1 550 550 ASN C C 550 178.753 178.753 175.179 3.574 19383 3320 1 12 . 1 1 550 550 ASN CA C 550 53.651 53.651 53.946 -0.295 19383 3321 1 12 . 1 1 550 550 ASN CB C 550 38.884 38.884 40.078 -1.194 19383 3322 1 12 . 1 1 550 550 ASN H H 550 8.235 8.235 7.836 0.399 19383 3323 1 12 . 1 1 551 551 GLN N N 551 119.902 119.902 119.820 0.082 19383 3324 1 12 . 1 1 551 551 GLN HA H 551 4.203 4.203 4.211 -0.008 19383 3325 1 12 . 1 1 551 551 GLN C C 551 178.390 178.390 176.105 2.285 19383 3326 1 12 . 1 1 551 551 GLN CA C 551 56.276 56.276 55.993 0.283 19383 3327 1 12 . 1 1 551 551 GLN CB C 551 28.931 28.931 27.097 1.834 19383 3328 1 12 . 1 1 551 551 GLN H H 551 8.359 8.359 7.520 0.839 19383 3329 1 12 . 1 1 552 552 ASP N N 552 119.524 119.524 120.990 -1.466 19383 3330 1 12 . 1 1 552 552 ASP HA H 552 4.448 4.448 4.650 -0.202 19383 3331 1 12 . 1 1 552 552 ASP C C 552 177.522 177.522 176.675 0.847 19383 3332 1 12 . 1 1 552 552 ASP CA C 552 54.856 54.856 55.154 -0.298 19383 3333 1 12 . 1 1 552 552 ASP CB C 552 40.814 40.814 40.445 0.369 19383 3334 1 12 . 1 1 552 552 ASP H H 552 8.190 8.190 8.696 -0.506 19383 3335 1 12 . 1 1 553 553 GLY N N 553 108.043 108.043 106.382 1.661 19383 3336 1 12 . 1 1 553 553 GLY C C 553 179.757 179.757 175.585 4.172 19383 3337 1 12 . 1 1 553 553 GLY CA C 553 45.626 45.626 45.466 0.160 19383 3338 1 12 . 1 1 553 553 GLY H H 553 8.130 8.130 8.152 -0.022 19383 3339 1 12 . 1 1 554 554 LEU N N 554 121.485 121.485 122.123 -0.638 19383 3340 1 12 . 1 1 554 554 LEU HA H 554 4.168 4.168 4.066 0.102 19383 3341 1 12 . 1 1 554 554 LEU C C 554 176.732 176.732 178.057 -1.325 19383 3342 1 12 . 1 1 554 554 LEU CA C 554 56.145 56.145 58.074 -1.929 19383 3343 1 12 . 1 1 554 554 LEU CB C 554 42.513 42.513 41.790 0.723 19383 3344 1 12 . 1 1 554 554 LEU H H 554 8.081 8.081 8.122 -0.041 19383 3345 1 12 . 1 1 555 555 ILE N N 555 117.390 117.390 118.388 -0.998 19383 3346 1 12 . 1 1 555 555 ILE HA H 555 3.954 3.954 4.029 -0.075 19383 3347 1 12 . 1 1 555 555 ILE C C 555 178.242 178.242 176.353 1.889 19383 3348 1 12 . 1 1 555 555 ILE CA C 555 61.929 61.929 59.054 2.875 19383 3349 1 12 . 1 1 555 555 ILE CB C 555 38.317 38.317 34.675 3.642 19383 3350 1 12 . 1 1 555 555 ILE H H 555 7.976 7.976 7.699 0.277 19383 3351 1 12 . 1 1 556 556 CYS N N 556 119.495 119.495 122.930 -3.435 19383 3352 1 12 . 1 1 556 556 CYS HA H 556 4.411 4.411 4.369 0.042 19383 3353 1 12 . 1 1 556 556 CYS C C 556 178.872 178.872 176.968 1.904 19383 3354 1 12 . 1 1 556 556 CYS CA C 556 56.233 56.233 60.398 -4.165 19383 3355 1 12 . 1 1 556 556 CYS CB C 556 41.438 41.438 26.375 15.063 19383 3356 1 12 . 1 1 556 556 CYS H H 556 8.214 8.214 8.630 -0.416 19383 3357 1 12 . 1 1 557 557 GLY N N 557 108.419 108.419 109.118 -0.699 19383 3358 1 12 . 1 1 557 557 GLY C C 557 180.393 180.393 175.381 5.012 19383 3359 1 12 . 1 1 557 557 GLY CA C 557 45.701 45.701 46.470 -0.769 19383 3360 1 12 . 1 1 557 557 GLY H H 557 8.141 8.141 8.763 -0.622 19383 3361 1 12 . 1 1 558 558 LEU N N 558 120.318 120.318 117.840 2.478 19383 3362 1 12 . 1 1 558 558 LEU HA H 558 4.237 4.237 4.459 -0.222 19383 3363 1 12 . 1 1 558 558 LEU C C 558 177.398 177.398 176.281 1.117 19383 3364 1 12 . 1 1 558 558 LEU CA C 558 55.730 55.730 54.422 1.308 19383 3365 1 12 . 1 1 558 558 LEU CB C 558 42.585 42.585 40.157 2.429 19383 3366 1 12 . 1 1 558 558 LEU H H 558 7.837 7.837 7.245 0.592 19383 3367 1 12 . 1 1 559 559 ARG N N 559 119.828 119.828 118.800 1.028 19383 3368 1 12 . 1 1 559 559 ARG HA H 559 4.245 4.245 4.325 -0.080 19383 3369 1 12 . 1 1 559 559 ARG C C 559 179.052 179.052 175.740 3.312 19383 3370 1 12 . 1 1 559 559 ARG CA C 559 55.773 55.773 55.283 0.490 19383 3371 1 12 . 1 1 559 559 ARG CB C 559 31.191 31.191 30.063 1.128 19383 3372 1 12 . 1 1 559 559 ARG H H 559 8.007 8.007 7.254 0.753 19383 3373 1 13 . 1 1 508 508 GLN N N 508 120.721 120.721 119.547 1.174 19383 3374 1 13 . 1 1 508 508 GLN HA H 508 4.607 4.607 4.832 -0.226 19383 3375 1 13 . 1 1 508 508 GLN CA C 508 53.627 53.627 53.272 0.355 19383 3376 1 13 . 1 1 508 508 GLN CB C 508 28.849 28.849 28.681 0.168 19383 3377 1 13 . 1 1 508 508 GLN H H 508 8.575 8.575 8.483 0.092 19383 3378 1 13 . 1 1 509 509 PRO HA H 509 4.329 4.329 4.266 0.063 19383 3379 1 13 . 1 1 509 509 PRO C C 509 177.740 177.740 176.776 0.964 19383 3380 1 13 . 1 1 509 509 PRO CA C 509 63.094 63.094 64.681 -1.587 19383 3381 1 13 . 1 1 509 509 PRO CB C 509 32.083 32.083 32.154 -0.071 19383 3382 1 13 . 1 1 510 510 LYS N N 510 121.228 121.228 112.487 8.741 19383 3383 1 13 . 1 1 510 510 LYS HA H 510 4.233 4.233 4.235 -0.002 19383 3384 1 13 . 1 1 510 510 LYS C C 510 177.951 177.951 175.029 2.922 19383 3385 1 13 . 1 1 510 510 LYS CA C 510 55.910 55.910 56.268 -0.358 19383 3386 1 13 . 1 1 510 510 LYS CB C 510 32.985 32.985 32.135 0.850 19383 3387 1 13 . 1 1 510 510 LYS H H 510 8.330 8.330 8.136 0.194 19383 3388 1 13 . 1 1 511 511 CYS N N 511 119.374 119.374 120.671 -1.297 19383 3389 1 13 . 1 1 511 511 CYS HA H 511 4.562 4.562 4.347 0.215 19383 3390 1 13 . 1 1 511 511 CYS C C 511 180.885 180.885 173.862 7.023 19383 3391 1 13 . 1 1 511 511 CYS CA C 511 55.085 55.085 59.563 -4.478 19383 3392 1 13 . 1 1 511 511 CYS CB C 511 41.809 41.809 25.229 16.580 19383 3393 1 13 . 1 1 511 511 CYS H H 511 8.284 8.284 8.381 -0.097 19383 3394 1 13 . 1 1 512 512 ASN N N 512 122.292 122.292 122.741 -0.449 19383 3395 1 13 . 1 1 512 512 ASN HA H 512 4.898 4.898 5.040 -0.142 19383 3396 1 13 . 1 1 512 512 ASN CA C 512 50.921 50.921 51.434 -0.513 19383 3397 1 13 . 1 1 512 512 ASN CB C 512 39.105 39.105 39.212 -0.107 19383 3398 1 13 . 1 1 512 512 ASN H H 512 8.614 8.614 8.481 0.133 19383 3399 1 13 . 1 1 513 513 PRO HA H 513 4.294 4.294 4.803 -0.509 19383 3400 1 13 . 1 1 513 513 PRO C C 513 177.920 177.920 176.547 1.373 19383 3401 1 13 . 1 1 513 513 PRO CA C 513 63.373 63.373 63.580 -0.206 19383 3402 1 13 . 1 1 513 513 PRO CB C 513 31.880 31.880 31.745 0.135 19383 3403 1 13 . 1 1 514 514 ASN N N 514 117.476 117.476 116.742 0.734 19383 3404 1 13 . 1 1 514 514 ASN HA H 514 4.557 4.557 4.769 -0.212 19383 3405 1 13 . 1 1 514 514 ASN C C 514 179.369 179.369 175.222 4.147 19383 3406 1 13 . 1 1 514 514 ASN CA C 514 53.454 53.454 53.568 -0.114 19383 3407 1 13 . 1 1 514 514 ASN CB C 514 38.954 38.954 39.328 -0.374 19383 3408 1 13 . 1 1 514 514 ASN H H 514 8.285 8.285 8.240 0.045 19383 3409 1 13 . 1 1 515 515 LEU N N 515 121.054 121.054 123.341 -2.287 19383 3410 1 13 . 1 1 515 515 LEU HA H 515 4.154 4.154 4.564 -0.410 19383 3411 1 13 . 1 1 515 515 LEU C C 515 177.719 177.719 175.849 1.870 19383 3412 1 13 . 1 1 515 515 LEU CA C 515 55.268 55.268 54.212 1.056 19383 3413 1 13 . 1 1 515 515 LEU CB C 515 42.079 42.079 40.628 1.451 19383 3414 1 13 . 1 1 515 515 LEU H H 515 7.770 7.770 7.598 0.172 19383 3415 1 13 . 1 1 516 516 HIS N N 516 117.461 117.461 120.701 -3.240 19383 3416 1 13 . 1 1 516 516 HIS HA H 516 4.451 4.451 4.741 -0.290 19383 3417 1 13 . 1 1 516 516 HIS C C 516 179.871 179.871 175.553 4.318 19383 3418 1 13 . 1 1 516 516 HIS CA C 516 55.414 55.414 58.136 -2.722 19383 3419 1 13 . 1 1 516 516 HIS CB C 516 28.867 28.867 30.206 -1.339 19383 3420 1 13 . 1 1 516 516 HIS H H 516 8.126 8.126 8.000 0.126 19383 3421 1 13 . 1 1 517 517 TYR N N 517 120.302 120.302 119.898 0.404 19383 3422 1 13 . 1 1 517 517 TYR HA H 517 4.222 4.222 4.315 -0.093 19383 3423 1 13 . 1 1 517 517 TYR C C 517 178.883 178.883 176.532 2.351 19383 3424 1 13 . 1 1 517 517 TYR CA C 517 59.410 59.410 60.462 -1.052 19383 3425 1 13 . 1 1 517 517 TYR CB C 517 38.843 38.843 38.163 0.680 19383 3426 1 13 . 1 1 517 517 TYR H H 517 8.101 8.101 8.441 -0.340 19383 3427 1 13 . 1 1 518 518 TRP N N 518 118.660 118.660 117.586 1.074 19383 3428 1 13 . 1 1 518 518 TRP HA H 518 4.569 4.569 4.918 -0.349 19383 3429 1 13 . 1 1 518 518 TRP C C 518 178.468 178.468 177.142 1.326 19383 3430 1 13 . 1 1 518 518 TRP CA C 518 57.501 57.501 57.442 0.059 19383 3431 1 13 . 1 1 518 518 TRP CB C 518 29.619 29.619 30.498 -0.879 19383 3432 1 13 . 1 1 518 518 TRP H H 518 7.665 7.665 8.405 -0.740 19383 3433 1 13 . 1 1 519 519 THR N N 519 112.373 112.373 111.058 1.315 19383 3434 1 13 . 1 1 519 519 THR HA H 519 4.351 4.351 3.968 0.383 19383 3435 1 13 . 1 1 519 519 THR C C 519 179.594 179.594 175.386 4.208 19383 3436 1 13 . 1 1 519 519 THR CA C 519 61.654 61.654 65.144 -3.490 19383 3437 1 13 . 1 1 519 519 THR CB C 519 69.859 69.859 67.542 2.317 19383 3438 1 13 . 1 1 519 519 THR H H 519 7.894 7.894 8.071 -0.177 19383 3439 1 13 . 1 1 520 520 THR N N 520 114.438 114.438 116.203 -1.765 19383 3440 1 13 . 1 1 520 520 THR HA H 520 4.256 4.256 4.397 -0.141 19383 3441 1 13 . 1 1 520 520 THR C C 520 179.419 179.419 175.625 3.794 19383 3442 1 13 . 1 1 520 520 THR CA C 520 62.019 62.019 64.543 -2.524 19383 3443 1 13 . 1 1 520 520 THR CB C 520 69.709 69.709 68.596 1.113 19383 3444 1 13 . 1 1 520 520 THR H H 520 7.957 7.957 8.513 -0.556 19383 3445 1 13 . 1 1 521 521 GLN N N 521 121.453 121.453 121.809 -0.356 19383 3446 1 13 . 1 1 521 521 GLN HA H 521 4.175 4.175 4.157 0.018 19383 3447 1 13 . 1 1 521 521 GLN C C 521 178.345 178.345 176.550 1.795 19383 3448 1 13 . 1 1 521 521 GLN CA C 521 56.302 56.302 58.720 -2.418 19383 3449 1 13 . 1 1 521 521 GLN CB C 521 29.118 29.118 28.564 0.553 19383 3450 1 13 . 1 1 521 521 GLN H H 521 8.224 8.224 8.711 -0.487 19383 3451 1 13 . 1 1 522 522 ASP N N 522 120.227 120.227 117.123 3.104 19383 3452 1 13 . 1 1 522 522 ASP HA H 522 4.461 4.461 4.729 -0.268 19383 3453 1 13 . 1 1 522 522 ASP C C 522 177.838 177.838 177.363 0.475 19383 3454 1 13 . 1 1 522 522 ASP CA C 522 54.741 54.741 55.253 -0.512 19383 3455 1 13 . 1 1 522 522 ASP CB C 522 40.847 40.847 40.855 -0.008 19383 3456 1 13 . 1 1 522 522 ASP H H 522 8.155 8.155 7.860 0.295 19383 3457 1 13 . 1 1 523 523 GLU N N 523 120.511 120.511 119.613 0.898 19383 3458 1 13 . 1 1 523 523 GLU HA H 523 4.102 4.102 4.151 -0.049 19383 3459 1 13 . 1 1 523 523 GLU C C 523 177.165 177.165 176.957 0.208 19383 3460 1 13 . 1 1 523 523 GLU CA C 523 57.161 57.161 58.448 -1.287 19383 3461 1 13 . 1 1 523 523 GLU CB C 523 29.153 29.153 29.655 -0.502 19383 3462 1 13 . 1 1 523 523 GLU H H 523 8.250 8.250 8.047 0.203 19383 3463 1 13 . 1 1 524 524 GLY N N 524 108.395 108.395 105.284 3.111 19383 3464 1 13 . 1 1 524 524 GLY C C 524 179.999 179.999 173.221 6.778 19383 3465 1 13 . 1 1 524 524 GLY CA C 524 45.791 45.791 44.880 0.911 19383 3466 1 13 . 1 1 524 524 GLY H H 524 8.308 8.308 7.792 0.516 19383 3467 1 13 . 1 1 525 525 ALA N N 525 123.026 123.026 122.169 0.857 19383 3468 1 13 . 1 1 525 525 ALA HA H 525 4.139 4.139 4.658 -0.519 19383 3469 1 13 . 1 1 525 525 ALA C C 525 176.642 176.642 176.468 0.174 19383 3470 1 13 . 1 1 525 525 ALA CA C 525 52.706 52.706 52.573 0.133 19383 3471 1 13 . 1 1 525 525 ALA CB C 525 19.148 19.148 20.857 -1.709 19383 3472 1 13 . 1 1 525 525 ALA H H 525 7.884 7.884 7.889 -0.005 19383 3473 1 13 . 1 1 526 526 ALA N N 526 121.593 121.593 120.760 0.833 19383 3474 1 13 . 1 1 526 526 ALA HA H 526 4.164 4.164 4.677 -0.513 19383 3475 1 13 . 1 1 526 526 ALA C C 526 176.320 176.320 175.795 0.525 19383 3476 1 13 . 1 1 526 526 ALA CA C 526 52.788 52.788 51.857 0.931 19383 3477 1 13 . 1 1 526 526 ALA CB C 526 19.055 19.055 19.524 -0.469 19383 3478 1 13 . 1 1 526 526 ALA H H 526 8.027 8.027 8.202 -0.175 19383 3479 1 13 . 1 1 527 527 ILE N N 527 117.907 117.907 115.510 2.397 19383 3480 1 13 . 1 1 527 527 ILE HA H 527 3.874 3.874 4.914 -1.040 19383 3481 1 13 . 1 1 527 527 ILE C C 527 177.983 177.983 177.453 0.530 19383 3482 1 13 . 1 1 527 527 ILE CA C 527 61.894 61.894 59.481 2.413 19383 3483 1 13 . 1 1 527 527 ILE CB C 527 38.485 38.485 38.588 -0.103 19383 3484 1 13 . 1 1 527 527 ILE H H 527 7.913 7.913 7.748 0.165 19383 3485 1 13 . 1 1 528 528 GLY N N 528 109.328 109.328 109.124 0.204 19383 3486 1 13 . 1 1 528 528 GLY C C 528 180.040 180.040 176.146 3.894 19383 3487 1 13 . 1 1 528 528 GLY CA C 528 45.877 45.877 46.328 -0.451 19383 3488 1 13 . 1 1 528 528 GLY H H 528 8.045 8.045 8.163 -0.118 19383 3489 1 13 . 1 1 529 529 LEU N N 529 119.297 119.297 120.670 -1.373 19383 3490 1 13 . 1 1 529 529 LEU HA H 529 4.076 4.076 4.314 -0.238 19383 3491 1 13 . 1 1 529 529 LEU C C 529 177.413 177.413 177.590 -0.177 19383 3492 1 13 . 1 1 529 529 LEU CA C 529 55.759 55.759 56.533 -0.774 19383 3493 1 13 . 1 1 529 529 LEU CB C 529 42.321 42.321 40.999 1.322 19383 3494 1 13 . 1 1 529 529 LEU H H 529 8.083 8.083 8.483 -0.400 19383 3495 1 13 . 1 1 530 530 ALA N N 530 120.355 120.355 119.924 0.431 19383 3496 1 13 . 1 1 530 530 ALA HA H 530 4.035 4.035 4.545 -0.510 19383 3497 1 13 . 1 1 530 530 ALA C C 530 177.142 177.142 178.673 -1.531 19383 3498 1 13 . 1 1 530 530 ALA CA C 530 53.814 53.814 52.503 1.311 19383 3499 1 13 . 1 1 530 530 ALA CB C 530 18.780 18.780 18.843 -0.062 19383 3500 1 13 . 1 1 530 530 ALA H H 530 8.015 8.015 7.770 0.245 19383 3501 1 13 . 1 1 531 531 TRP N N 531 114.575 114.575 120.657 -6.082 19383 3502 1 13 . 1 1 531 531 TRP HA H 531 4.589 4.589 4.738 -0.149 19383 3503 1 13 . 1 1 531 531 TRP C C 531 177.968 177.968 174.787 3.181 19383 3504 1 13 . 1 1 531 531 TRP CA C 531 56.378 56.378 55.413 0.965 19383 3505 1 13 . 1 1 531 531 TRP CB C 531 29.409 29.409 27.561 1.848 19383 3506 1 13 . 1 1 531 531 TRP H H 531 7.398 7.398 8.170 -0.772 19383 3507 1 13 . 1 1 532 532 ILE N N 532 121.501 121.501 113.632 7.869 19383 3508 1 13 . 1 1 532 532 ILE HA H 532 3.768 3.768 4.500 -0.732 19383 3509 1 13 . 1 1 532 532 ILE CA C 532 63.813 63.813 57.679 6.133 19383 3510 1 13 . 1 1 532 532 ILE H H 532 7.197 7.197 7.419 -0.222 19383 3511 1 13 . 1 1 533 533 PRO HA H 533 4.169 4.169 4.312 -0.143 19383 3512 1 13 . 1 1 533 533 PRO CA C 533 64.431 64.431 63.537 0.894 19383 3513 1 13 . 1 1 533 533 PRO CB C 533 32.238 32.238 30.698 1.540 19383 3514 1 13 . 1 1 534 534 TYR HA H 534 4.086 4.086 4.314 -0.228 19383 3515 1 13 . 1 1 534 534 TYR CA C 534 60.819 60.819 59.384 1.435 19383 3516 1 13 . 1 1 534 534 TYR CB C 534 38.437 38.437 39.030 -0.593 19383 3517 1 13 . 1 1 534 534 TYR H H 534 8.066 8.066 7.841 0.225 19383 3518 1 13 . 1 1 535 535 PHE HA H 535 4.316 4.316 4.318 -0.002 19383 3519 1 13 . 1 1 535 535 PHE C C 535 175.669 175.669 176.547 -0.878 19383 3520 1 13 . 1 1 535 535 PHE CA C 535 58.885 58.885 59.139 -0.254 19383 3521 1 13 . 1 1 535 535 PHE CB C 535 40.304 40.304 39.001 1.303 19383 3522 1 13 . 1 1 535 535 PHE H H 535 8.123 8.123 8.108 0.015 19383 3523 1 13 . 1 1 536 536 GLY N N 536 107.103 107.103 105.770 1.333 19383 3524 1 13 . 1 1 536 536 GLY CA C 536 46.510 46.510 44.852 1.658 19383 3525 1 13 . 1 1 536 536 GLY H H 536 8.031 8.031 7.961 0.070 19383 3526 1 13 . 1 1 537 537 PRO HA H 537 4.210 4.210 4.470 -0.260 19383 3527 1 13 . 1 1 537 537 PRO C C 537 175.183 175.183 176.350 -1.167 19383 3528 1 13 . 1 1 537 537 PRO CA C 537 64.563 64.563 62.607 1.956 19383 3529 1 13 . 1 1 537 537 PRO CB C 537 31.618 31.618 31.777 -0.159 19383 3530 1 13 . 1 1 538 538 ALA N N 538 120.228 120.228 121.225 -0.997 19383 3531 1 13 . 1 1 538 538 ALA HA H 538 4.095 4.095 4.030 0.065 19383 3532 1 13 . 1 1 538 538 ALA C C 538 175.268 175.268 178.704 -3.436 19383 3533 1 13 . 1 1 538 538 ALA CA C 538 54.373 54.373 54.099 0.274 19383 3534 1 13 . 1 1 538 538 ALA CB C 538 18.694 18.694 18.616 0.078 19383 3535 1 13 . 1 1 538 538 ALA H H 538 7.799 7.799 8.214 -0.415 19383 3536 1 13 . 1 1 539 539 ALA N N 539 120.412 120.412 119.540 0.872 19383 3537 1 13 . 1 1 539 539 ALA HA H 539 3.883 3.883 4.089 -0.206 19383 3538 1 13 . 1 1 539 539 ALA C C 539 175.516 175.516 179.659 -4.143 19383 3539 1 13 . 1 1 539 539 ALA CA C 539 54.526 54.526 54.697 -0.171 19383 3540 1 13 . 1 1 539 539 ALA CB C 539 18.780 18.780 17.056 1.724 19383 3541 1 13 . 1 1 539 539 ALA H H 539 8.208 8.208 8.403 -0.195 19383 3542 1 13 . 1 1 540 540 GLU N N 540 116.209 116.209 120.116 -3.907 19383 3543 1 13 . 1 1 540 540 GLU HA H 540 3.933 3.933 4.083 -0.150 19383 3544 1 13 . 1 1 540 540 GLU C C 540 176.525 176.525 178.158 -1.633 19383 3545 1 13 . 1 1 540 540 GLU CA C 540 58.522 58.522 59.723 -1.201 19383 3546 1 13 . 1 1 540 540 GLU CB C 540 28.907 28.907 29.661 -0.754 19383 3547 1 13 . 1 1 540 540 GLU H H 540 8.162 8.162 8.659 -0.497 19383 3548 1 13 . 1 1 541 541 GLY N N 541 107.297 107.297 103.739 3.558 19383 3549 1 13 . 1 1 541 541 GLY C C 541 178.784 178.784 174.794 3.990 19383 3550 1 13 . 1 1 541 541 GLY CA C 541 45.692 45.692 45.368 0.324 19383 3551 1 13 . 1 1 541 541 GLY H H 541 8.033 8.033 8.705 -0.672 19383 3552 1 13 . 1 1 542 542 ILE N N 542 121.066 121.066 116.304 4.762 19383 3553 1 13 . 1 1 542 542 ILE HA H 542 3.765 3.765 4.334 -0.569 19383 3554 1 13 . 1 1 542 542 ILE C C 542 176.804 176.804 175.874 0.930 19383 3555 1 13 . 1 1 542 542 ILE CA C 542 63.871 63.871 60.867 3.005 19383 3556 1 13 . 1 1 542 542 ILE CB C 542 38.075 38.075 37.659 0.416 19383 3557 1 13 . 1 1 542 542 ILE H H 542 7.870 7.870 7.511 0.359 19383 3558 1 13 . 1 1 543 543 TYR N N 543 120.347 120.347 119.392 0.955 19383 3559 1 13 . 1 1 543 543 TYR HA H 543 4.144 4.144 4.447 -0.303 19383 3560 1 13 . 1 1 543 543 TYR C C 543 179.780 179.780 175.470 4.310 19383 3561 1 13 . 1 1 543 543 TYR CA C 543 60.629 60.629 59.231 1.398 19383 3562 1 13 . 1 1 543 543 TYR CB C 543 38.425 38.425 40.255 -1.830 19383 3563 1 13 . 1 1 543 543 TYR H H 543 8.066 8.066 8.313 -0.247 19383 3564 1 13 . 1 1 544 544 ALA N N 544 119.787 119.787 121.294 -1.507 19383 3565 1 13 . 1 1 544 544 ALA HA H 544 3.926 3.926 4.434 -0.508 19383 3566 1 13 . 1 1 544 544 ALA C C 544 175.014 175.014 177.334 -2.320 19383 3567 1 13 . 1 1 544 544 ALA CA C 544 54.262 54.262 53.305 0.957 19383 3568 1 13 . 1 1 544 544 ALA CB C 544 18.991 18.991 19.631 -0.640 19383 3569 1 13 . 1 1 544 544 ALA H H 544 7.910 7.910 7.683 0.227 19383 3570 1 13 . 1 1 545 545 GLU N N 545 115.906 115.906 118.596 -2.690 19383 3571 1 13 . 1 1 545 545 GLU HA H 545 4.056 4.056 4.352 -0.296 19383 3572 1 13 . 1 1 545 545 GLU C C 545 176.541 176.541 177.342 -0.801 19383 3573 1 13 . 1 1 545 545 GLU CA C 545 56.978 56.978 56.578 0.400 19383 3574 1 13 . 1 1 545 545 GLU CB C 545 29.625 29.625 30.913 -1.288 19383 3575 1 13 . 1 1 545 545 GLU H H 545 7.866 7.866 8.067 -0.201 19383 3576 1 13 . 1 1 546 546 GLY N N 546 107.293 107.293 109.729 -2.436 19383 3577 1 13 . 1 1 546 546 GLY C C 546 180.358 180.358 174.389 5.969 19383 3578 1 13 . 1 1 546 546 GLY CA C 546 45.645 45.645 46.384 -0.739 19383 3579 1 13 . 1 1 546 546 GLY H H 546 8.019 8.019 8.148 -0.129 19383 3580 1 13 . 1 1 547 547 LEU N N 547 121.469 121.469 114.618 6.851 19383 3581 1 13 . 1 1 547 547 LEU HA H 547 4.147 4.147 4.357 -0.210 19383 3582 1 13 . 1 1 547 547 LEU C C 547 176.730 176.730 176.230 0.500 19383 3583 1 13 . 1 1 547 547 LEU CA C 547 55.851 55.851 56.279 -0.428 19383 3584 1 13 . 1 1 547 547 LEU CB C 547 42.514 42.514 42.337 0.177 19383 3585 1 13 . 1 1 547 547 LEU H H 547 7.892 7.892 7.594 0.298 19383 3586 1 13 . 1 1 548 548 MET N N 548 116.092 116.092 118.744 -2.652 19383 3587 1 13 . 1 1 548 548 MET HA H 548 4.218 4.218 4.438 -0.220 19383 3588 1 13 . 1 1 548 548 MET C C 548 177.832 177.832 177.291 0.541 19383 3589 1 13 . 1 1 548 548 MET CA C 548 55.861 55.861 55.562 0.299 19383 3590 1 13 . 1 1 548 548 MET CB C 548 32.338 32.338 32.718 -0.380 19383 3591 1 13 . 1 1 548 548 MET H H 548 7.995 7.995 8.279 -0.284 19383 3592 1 13 . 1 1 549 549 HIS N N 549 116.959 116.959 116.141 0.818 19383 3593 1 13 . 1 1 549 549 HIS HA H 549 4.577 4.577 4.733 -0.156 19383 3594 1 13 . 1 1 549 549 HIS C C 549 179.852 179.852 174.935 4.917 19383 3595 1 13 . 1 1 549 549 HIS CA C 549 55.656 55.656 57.207 -1.551 19383 3596 1 13 . 1 1 549 549 HIS CB C 549 28.847 28.847 28.878 -0.031 19383 3597 1 13 . 1 1 549 549 HIS H H 549 8.074 8.074 8.076 -0.002 19383 3598 1 13 . 1 1 550 550 ASN N N 550 118.599 118.599 116.507 2.092 19383 3599 1 13 . 1 1 550 550 ASN HA H 550 4.611 4.611 4.798 -0.187 19383 3600 1 13 . 1 1 550 550 ASN C C 550 178.753 178.753 175.936 2.817 19383 3601 1 13 . 1 1 550 550 ASN CA C 550 53.651 53.651 53.162 0.489 19383 3602 1 13 . 1 1 550 550 ASN CB C 550 38.884 38.884 39.679 -0.795 19383 3603 1 13 . 1 1 550 550 ASN H H 550 8.235 8.235 7.490 0.745 19383 3604 1 13 . 1 1 551 551 GLN N N 551 119.902 119.902 119.768 0.134 19383 3605 1 13 . 1 1 551 551 GLN HA H 551 4.203 4.203 4.194 0.009 19383 3606 1 13 . 1 1 551 551 GLN C C 551 178.390 178.390 175.851 2.539 19383 3607 1 13 . 1 1 551 551 GLN CA C 551 56.276 56.276 55.390 0.886 19383 3608 1 13 . 1 1 551 551 GLN CB C 551 28.931 28.931 26.187 2.744 19383 3609 1 13 . 1 1 551 551 GLN H H 551 8.359 8.359 7.466 0.893 19383 3610 1 13 . 1 1 552 552 ASP N N 552 119.524 119.524 117.920 1.604 19383 3611 1 13 . 1 1 552 552 ASP HA H 552 4.448 4.448 4.946 -0.498 19383 3612 1 13 . 1 1 552 552 ASP C C 552 177.522 177.522 176.892 0.630 19383 3613 1 13 . 1 1 552 552 ASP CA C 552 54.856 54.856 53.982 0.874 19383 3614 1 13 . 1 1 552 552 ASP CB C 552 40.814 40.814 40.945 -0.131 19383 3615 1 13 . 1 1 552 552 ASP H H 552 8.190 8.190 8.620 -0.430 19383 3616 1 13 . 1 1 553 553 GLY N N 553 108.043 108.043 106.673 1.370 19383 3617 1 13 . 1 1 553 553 GLY C C 553 179.757 179.757 175.364 4.393 19383 3618 1 13 . 1 1 553 553 GLY CA C 553 45.626 45.626 45.926 -0.300 19383 3619 1 13 . 1 1 553 553 GLY H H 553 8.130 8.130 8.047 0.083 19383 3620 1 13 . 1 1 554 554 LEU N N 554 121.485 121.485 121.377 0.108 19383 3621 1 13 . 1 1 554 554 LEU HA H 554 4.168 4.168 4.033 0.135 19383 3622 1 13 . 1 1 554 554 LEU C C 554 176.732 176.732 178.314 -1.582 19383 3623 1 13 . 1 1 554 554 LEU CA C 554 56.145 56.145 57.989 -1.844 19383 3624 1 13 . 1 1 554 554 LEU CB C 554 42.513 42.513 41.883 0.630 19383 3625 1 13 . 1 1 554 554 LEU H H 554 8.081 8.081 8.092 -0.011 19383 3626 1 13 . 1 1 555 555 ILE N N 555 117.390 117.390 118.288 -0.898 19383 3627 1 13 . 1 1 555 555 ILE HA H 555 3.954 3.954 4.095 -0.141 19383 3628 1 13 . 1 1 555 555 ILE C C 555 178.242 178.242 176.187 2.055 19383 3629 1 13 . 1 1 555 555 ILE CA C 555 61.929 61.929 59.311 2.618 19383 3630 1 13 . 1 1 555 555 ILE CB C 555 38.317 38.317 34.564 3.753 19383 3631 1 13 . 1 1 555 555 ILE H H 555 7.976 7.976 8.194 -0.218 19383 3632 1 13 . 1 1 556 556 CYS N N 556 119.495 119.495 117.973 1.522 19383 3633 1 13 . 1 1 556 556 CYS HA H 556 4.411 4.411 4.822 -0.411 19383 3634 1 13 . 1 1 556 556 CYS C C 556 178.872 178.872 176.535 2.337 19383 3635 1 13 . 1 1 556 556 CYS CA C 556 56.233 56.233 58.051 -1.818 19383 3636 1 13 . 1 1 556 556 CYS CB C 556 41.438 41.438 28.334 13.104 19383 3637 1 13 . 1 1 556 556 CYS H H 556 8.214 8.214 8.123 0.091 19383 3638 1 13 . 1 1 557 557 GLY N N 557 108.419 108.419 110.200 -1.781 19383 3639 1 13 . 1 1 557 557 GLY C C 557 180.393 180.393 175.507 4.886 19383 3640 1 13 . 1 1 557 557 GLY CA C 557 45.701 45.701 46.973 -1.272 19383 3641 1 13 . 1 1 557 557 GLY H H 557 8.141 8.141 8.655 -0.514 19383 3642 1 13 . 1 1 558 558 LEU N N 558 120.318 120.318 117.501 2.817 19383 3643 1 13 . 1 1 558 558 LEU HA H 558 4.237 4.237 4.356 -0.119 19383 3644 1 13 . 1 1 558 558 LEU C C 558 177.398 177.398 176.202 1.196 19383 3645 1 13 . 1 1 558 558 LEU CA C 558 55.730 55.730 54.746 0.984 19383 3646 1 13 . 1 1 558 558 LEU CB C 558 42.585 42.585 39.741 2.844 19383 3647 1 13 . 1 1 558 558 LEU H H 558 7.837 7.837 7.896 -0.059 19383 3648 1 13 . 1 1 559 559 ARG N N 559 119.828 119.828 119.721 0.107 19383 3649 1 13 . 1 1 559 559 ARG HA H 559 4.245 4.245 4.557 -0.312 19383 3650 1 13 . 1 1 559 559 ARG C C 559 179.052 179.052 176.626 2.426 19383 3651 1 13 . 1 1 559 559 ARG CA C 559 55.773 55.773 55.066 0.707 19383 3652 1 13 . 1 1 559 559 ARG CB C 559 31.191 31.191 30.847 0.344 19383 3653 1 13 . 1 1 559 559 ARG H H 559 8.007 8.007 7.777 0.230 19383 3654 1 14 . 1 1 508 508 GLN N N 508 120.721 120.721 122.210 -1.489 19383 3655 1 14 . 1 1 508 508 GLN HA H 508 4.607 4.607 4.815 -0.208 19383 3656 1 14 . 1 1 508 508 GLN CA C 508 53.627 53.627 54.023 -0.396 19383 3657 1 14 . 1 1 508 508 GLN CB C 508 28.849 28.849 28.921 -0.072 19383 3658 1 14 . 1 1 508 508 GLN H H 508 8.575 8.575 8.689 -0.114 19383 3659 1 14 . 1 1 509 509 PRO HA H 509 4.329 4.329 4.397 -0.068 19383 3660 1 14 . 1 1 509 509 PRO C C 509 177.740 177.740 177.099 0.641 19383 3661 1 14 . 1 1 509 509 PRO CA C 509 63.094 63.094 64.253 -1.159 19383 3662 1 14 . 1 1 509 509 PRO CB C 509 32.083 32.083 32.536 -0.453 19383 3663 1 14 . 1 1 510 510 LYS N N 510 121.228 121.228 114.088 7.140 19383 3664 1 14 . 1 1 510 510 LYS HA H 510 4.233 4.233 4.306 -0.073 19383 3665 1 14 . 1 1 510 510 LYS C C 510 177.951 177.951 175.790 2.161 19383 3666 1 14 . 1 1 510 510 LYS CA C 510 55.910 55.910 56.515 -0.605 19383 3667 1 14 . 1 1 510 510 LYS CB C 510 32.985 32.985 32.672 0.313 19383 3668 1 14 . 1 1 510 510 LYS H H 510 8.330 8.330 8.379 -0.049 19383 3669 1 14 . 1 1 511 511 CYS N N 511 119.374 119.374 119.782 -0.408 19383 3670 1 14 . 1 1 511 511 CYS HA H 511 4.562 4.562 4.257 0.305 19383 3671 1 14 . 1 1 511 511 CYS C C 511 180.885 180.885 174.001 6.884 19383 3672 1 14 . 1 1 511 511 CYS CA C 511 55.085 55.085 59.963 -4.878 19383 3673 1 14 . 1 1 511 511 CYS CB C 511 41.809 41.809 25.388 16.421 19383 3674 1 14 . 1 1 511 511 CYS H H 511 8.284 8.284 8.498 -0.214 19383 3675 1 14 . 1 1 512 512 ASN N N 512 122.292 122.292 117.606 4.686 19383 3676 1 14 . 1 1 512 512 ASN HA H 512 4.898 4.898 4.895 0.003 19383 3677 1 14 . 1 1 512 512 ASN CA C 512 50.921 50.921 50.097 0.824 19383 3678 1 14 . 1 1 512 512 ASN CB C 512 39.105 39.105 38.463 0.642 19383 3679 1 14 . 1 1 512 512 ASN H H 512 8.614 8.614 8.234 0.380 19383 3680 1 14 . 1 1 513 513 PRO HA H 513 4.294 4.294 4.819 -0.525 19383 3681 1 14 . 1 1 513 513 PRO C C 513 177.920 177.920 176.722 1.198 19383 3682 1 14 . 1 1 513 513 PRO CA C 513 63.373 63.373 63.529 -0.156 19383 3683 1 14 . 1 1 513 513 PRO CB C 513 31.880 31.880 31.483 0.397 19383 3684 1 14 . 1 1 514 514 ASN N N 514 117.476 117.476 117.111 0.365 19383 3685 1 14 . 1 1 514 514 ASN HA H 514 4.557 4.557 4.679 -0.122 19383 3686 1 14 . 1 1 514 514 ASN C C 514 179.369 179.369 175.148 4.221 19383 3687 1 14 . 1 1 514 514 ASN CA C 514 53.454 53.454 53.866 -0.412 19383 3688 1 14 . 1 1 514 514 ASN CB C 514 38.954 38.954 39.164 -0.210 19383 3689 1 14 . 1 1 514 514 ASN H H 514 8.285 8.285 8.361 -0.076 19383 3690 1 14 . 1 1 515 515 LEU N N 515 121.054 121.054 123.133 -2.079 19383 3691 1 14 . 1 1 515 515 LEU HA H 515 4.154 4.154 4.495 -0.341 19383 3692 1 14 . 1 1 515 515 LEU C C 515 177.719 177.719 176.408 1.311 19383 3693 1 14 . 1 1 515 515 LEU CA C 515 55.268 55.268 53.363 1.905 19383 3694 1 14 . 1 1 515 515 LEU CB C 515 42.079 42.079 40.121 1.958 19383 3695 1 14 . 1 1 515 515 LEU H H 515 7.770 7.770 7.469 0.301 19383 3696 1 14 . 1 1 516 516 HIS N N 516 117.461 117.461 119.404 -1.943 19383 3697 1 14 . 1 1 516 516 HIS HA H 516 4.451 4.451 4.407 0.044 19383 3698 1 14 . 1 1 516 516 HIS C C 516 179.871 179.871 175.112 4.759 19383 3699 1 14 . 1 1 516 516 HIS CA C 516 55.414 55.414 57.618 -2.204 19383 3700 1 14 . 1 1 516 516 HIS CB C 516 28.867 28.867 29.913 -1.046 19383 3701 1 14 . 1 1 516 516 HIS H H 516 8.126 8.126 7.120 1.006 19383 3702 1 14 . 1 1 517 517 TYR N N 517 120.302 120.302 120.183 0.119 19383 3703 1 14 . 1 1 517 517 TYR HA H 517 4.222 4.222 4.582 -0.360 19383 3704 1 14 . 1 1 517 517 TYR C C 517 178.883 178.883 177.524 1.359 19383 3705 1 14 . 1 1 517 517 TYR CA C 517 59.410 59.410 60.638 -1.228 19383 3706 1 14 . 1 1 517 517 TYR CB C 517 38.843 38.843 38.175 0.668 19383 3707 1 14 . 1 1 517 517 TYR H H 517 8.101 8.101 7.703 0.398 19383 3708 1 14 . 1 1 518 518 TRP N N 518 118.660 118.660 118.033 0.627 19383 3709 1 14 . 1 1 518 518 TRP HA H 518 4.569 4.569 4.590 -0.021 19383 3710 1 14 . 1 1 518 518 TRP C C 518 178.468 178.468 177.215 1.253 19383 3711 1 14 . 1 1 518 518 TRP CA C 518 57.501 57.501 58.615 -1.114 19383 3712 1 14 . 1 1 518 518 TRP CB C 518 29.619 29.619 30.474 -0.855 19383 3713 1 14 . 1 1 518 518 TRP H H 518 7.665 7.665 8.353 -0.688 19383 3714 1 14 . 1 1 519 519 THR N N 519 112.373 112.373 109.593 2.780 19383 3715 1 14 . 1 1 519 519 THR HA H 519 4.351 4.351 3.762 0.589 19383 3716 1 14 . 1 1 519 519 THR C C 519 179.594 179.594 175.309 4.285 19383 3717 1 14 . 1 1 519 519 THR CA C 519 61.654 61.654 65.161 -3.507 19383 3718 1 14 . 1 1 519 519 THR CB C 519 69.859 69.859 67.581 2.278 19383 3719 1 14 . 1 1 519 519 THR H H 519 7.894 7.894 8.079 -0.185 19383 3720 1 14 . 1 1 520 520 THR N N 520 114.438 114.438 116.072 -1.634 19383 3721 1 14 . 1 1 520 520 THR HA H 520 4.256 4.256 4.350 -0.094 19383 3722 1 14 . 1 1 520 520 THR C C 520 179.419 179.419 175.969 3.450 19383 3723 1 14 . 1 1 520 520 THR CA C 520 62.019 62.019 64.149 -2.130 19383 3724 1 14 . 1 1 520 520 THR CB C 520 69.709 69.709 68.722 0.988 19383 3725 1 14 . 1 1 520 520 THR H H 520 7.957 7.957 8.479 -0.522 19383 3726 1 14 . 1 1 521 521 GLN N N 521 121.453 121.453 121.479 -0.026 19383 3727 1 14 . 1 1 521 521 GLN HA H 521 4.175 4.175 4.149 0.026 19383 3728 1 14 . 1 1 521 521 GLN C C 521 178.345 178.345 176.784 1.561 19383 3729 1 14 . 1 1 521 521 GLN CA C 521 56.302 56.302 59.143 -2.841 19383 3730 1 14 . 1 1 521 521 GLN CB C 521 29.118 29.118 28.866 0.252 19383 3731 1 14 . 1 1 521 521 GLN H H 521 8.224 8.224 8.627 -0.403 19383 3732 1 14 . 1 1 522 522 ASP N N 522 120.227 120.227 117.677 2.550 19383 3733 1 14 . 1 1 522 522 ASP HA H 522 4.461 4.461 4.597 -0.136 19383 3734 1 14 . 1 1 522 522 ASP C C 522 177.838 177.838 177.094 0.744 19383 3735 1 14 . 1 1 522 522 ASP CA C 522 54.741 54.741 54.970 -0.229 19383 3736 1 14 . 1 1 522 522 ASP CB C 522 40.847 40.847 41.213 -0.366 19383 3737 1 14 . 1 1 522 522 ASP H H 522 8.155 8.155 7.681 0.474 19383 3738 1 14 . 1 1 523 523 GLU N N 523 120.511 120.511 118.876 1.635 19383 3739 1 14 . 1 1 523 523 GLU HA H 523 4.102 4.102 3.962 0.140 19383 3740 1 14 . 1 1 523 523 GLU C C 523 177.165 177.165 177.057 0.108 19383 3741 1 14 . 1 1 523 523 GLU CA C 523 57.161 57.161 58.210 -1.049 19383 3742 1 14 . 1 1 523 523 GLU CB C 523 29.153 29.153 29.571 -0.418 19383 3743 1 14 . 1 1 523 523 GLU H H 523 8.250 8.250 7.727 0.523 19383 3744 1 14 . 1 1 524 524 GLY N N 524 108.395 108.395 104.210 4.185 19383 3745 1 14 . 1 1 524 524 GLY C C 524 179.999 179.999 173.633 6.366 19383 3746 1 14 . 1 1 524 524 GLY CA C 524 45.791 45.791 44.631 1.160 19383 3747 1 14 . 1 1 524 524 GLY H H 524 8.308 8.308 7.530 0.778 19383 3748 1 14 . 1 1 525 525 ALA N N 525 123.026 123.026 123.880 -0.854 19383 3749 1 14 . 1 1 525 525 ALA HA H 525 4.139 4.139 4.313 -0.174 19383 3750 1 14 . 1 1 525 525 ALA C C 525 176.642 176.642 177.249 -0.607 19383 3751 1 14 . 1 1 525 525 ALA CA C 525 52.706 52.706 52.779 -0.073 19383 3752 1 14 . 1 1 525 525 ALA CB C 525 19.148 19.148 20.129 -0.981 19383 3753 1 14 . 1 1 525 525 ALA H H 525 7.884 7.884 7.723 0.161 19383 3754 1 14 . 1 1 526 526 ALA N N 526 121.593 121.593 121.795 -0.202 19383 3755 1 14 . 1 1 526 526 ALA HA H 526 4.164 4.164 4.601 -0.437 19383 3756 1 14 . 1 1 526 526 ALA C C 526 176.320 176.320 176.498 -0.178 19383 3757 1 14 . 1 1 526 526 ALA CA C 526 52.788 52.788 52.120 0.668 19383 3758 1 14 . 1 1 526 526 ALA CB C 526 19.055 19.055 19.868 -0.813 19383 3759 1 14 . 1 1 526 526 ALA H H 526 8.027 8.027 7.859 0.168 19383 3760 1 14 . 1 1 527 527 ILE N N 527 117.907 117.907 113.674 4.233 19383 3761 1 14 . 1 1 527 527 ILE HA H 527 3.874 3.874 4.034 -0.160 19383 3762 1 14 . 1 1 527 527 ILE C C 527 177.983 177.983 177.024 0.959 19383 3763 1 14 . 1 1 527 527 ILE CA C 527 61.894 61.894 59.877 2.017 19383 3764 1 14 . 1 1 527 527 ILE CB C 527 38.485 38.485 37.194 1.290 19383 3765 1 14 . 1 1 527 527 ILE H H 527 7.913 7.913 7.560 0.353 19383 3766 1 14 . 1 1 528 528 GLY N N 528 109.328 109.328 108.666 0.662 19383 3767 1 14 . 1 1 528 528 GLY C C 528 180.040 180.040 174.985 5.055 19383 3768 1 14 . 1 1 528 528 GLY CA C 528 45.877 45.877 46.282 -0.405 19383 3769 1 14 . 1 1 528 528 GLY H H 528 8.045 8.045 8.246 -0.201 19383 3770 1 14 . 1 1 529 529 LEU N N 529 119.297 119.297 114.541 4.756 19383 3771 1 14 . 1 1 529 529 LEU HA H 529 4.076 4.076 4.512 -0.436 19383 3772 1 14 . 1 1 529 529 LEU C C 529 177.413 177.413 176.837 0.576 19383 3773 1 14 . 1 1 529 529 LEU CA C 529 55.759 55.759 56.437 -0.678 19383 3774 1 14 . 1 1 529 529 LEU CB C 529 42.321 42.321 41.978 0.343 19383 3775 1 14 . 1 1 529 529 LEU H H 529 8.083 8.083 7.172 0.911 19383 3776 1 14 . 1 1 530 530 ALA N N 530 120.355 120.355 119.608 0.747 19383 3777 1 14 . 1 1 530 530 ALA HA H 530 4.035 4.035 4.540 -0.505 19383 3778 1 14 . 1 1 530 530 ALA C C 530 177.142 177.142 178.696 -1.554 19383 3779 1 14 . 1 1 530 530 ALA CA C 530 53.814 53.814 51.868 1.946 19383 3780 1 14 . 1 1 530 530 ALA CB C 530 18.780 18.780 19.238 -0.458 19383 3781 1 14 . 1 1 530 530 ALA H H 530 8.015 8.015 7.706 0.309 19383 3782 1 14 . 1 1 531 531 TRP N N 531 114.575 114.575 121.054 -6.479 19383 3783 1 14 . 1 1 531 531 TRP HA H 531 4.589 4.589 4.863 -0.274 19383 3784 1 14 . 1 1 531 531 TRP C C 531 177.968 177.968 174.721 3.247 19383 3785 1 14 . 1 1 531 531 TRP CA C 531 56.378 56.378 55.164 1.214 19383 3786 1 14 . 1 1 531 531 TRP CB C 531 29.409 29.409 27.173 2.236 19383 3787 1 14 . 1 1 531 531 TRP H H 531 7.398 7.398 8.782 -1.384 19383 3788 1 14 . 1 1 532 532 ILE N N 532 121.501 121.501 114.070 7.431 19383 3789 1 14 . 1 1 532 532 ILE HA H 532 3.768 3.768 4.574 -0.806 19383 3790 1 14 . 1 1 532 532 ILE CA C 532 63.813 63.813 57.829 5.984 19383 3791 1 14 . 1 1 532 532 ILE H H 532 7.197 7.197 7.736 -0.539 19383 3792 1 14 . 1 1 533 533 PRO HA H 533 4.169 4.169 4.498 -0.329 19383 3793 1 14 . 1 1 533 533 PRO CA C 533 64.431 64.431 63.597 0.834 19383 3794 1 14 . 1 1 533 533 PRO CB C 533 32.238 32.238 30.701 1.536 19383 3795 1 14 . 1 1 534 534 TYR HA H 534 4.086 4.086 4.465 -0.379 19383 3796 1 14 . 1 1 534 534 TYR CA C 534 60.819 60.819 59.836 0.983 19383 3797 1 14 . 1 1 534 534 TYR CB C 534 38.437 38.437 39.138 -0.701 19383 3798 1 14 . 1 1 534 534 TYR H H 534 8.066 8.066 8.176 -0.110 19383 3799 1 14 . 1 1 535 535 PHE HA H 535 4.316 4.316 4.387 -0.071 19383 3800 1 14 . 1 1 535 535 PHE C C 535 175.669 175.669 176.651 -0.982 19383 3801 1 14 . 1 1 535 535 PHE CA C 535 58.885 58.885 59.917 -1.032 19383 3802 1 14 . 1 1 535 535 PHE CB C 535 40.304 40.304 39.686 0.618 19383 3803 1 14 . 1 1 535 535 PHE H H 535 8.123 8.123 8.494 -0.371 19383 3804 1 14 . 1 1 536 536 GLY N N 536 107.103 107.103 105.906 1.197 19383 3805 1 14 . 1 1 536 536 GLY CA C 536 46.510 46.510 44.893 1.617 19383 3806 1 14 . 1 1 536 536 GLY H H 536 8.031 8.031 8.030 0.001 19383 3807 1 14 . 1 1 537 537 PRO HA H 537 4.210 4.210 4.605 -0.395 19383 3808 1 14 . 1 1 537 537 PRO C C 537 175.183 175.183 176.968 -1.785 19383 3809 1 14 . 1 1 537 537 PRO CA C 537 64.563 64.563 62.748 1.815 19383 3810 1 14 . 1 1 537 537 PRO CB C 537 31.618 31.618 32.103 -0.485 19383 3811 1 14 . 1 1 538 538 ALA N N 538 120.228 120.228 122.191 -1.963 19383 3812 1 14 . 1 1 538 538 ALA HA H 538 4.095 4.095 4.138 -0.043 19383 3813 1 14 . 1 1 538 538 ALA C C 538 175.268 175.268 178.135 -2.867 19383 3814 1 14 . 1 1 538 538 ALA CA C 538 54.373 54.373 54.057 0.316 19383 3815 1 14 . 1 1 538 538 ALA CB C 538 18.694 18.694 18.717 -0.023 19383 3816 1 14 . 1 1 538 538 ALA H H 538 7.799 7.799 8.577 -0.778 19383 3817 1 14 . 1 1 539 539 ALA N N 539 120.412 120.412 120.450 -0.038 19383 3818 1 14 . 1 1 539 539 ALA HA H 539 3.883 3.883 4.028 -0.145 19383 3819 1 14 . 1 1 539 539 ALA C C 539 175.516 175.516 180.017 -4.501 19383 3820 1 14 . 1 1 539 539 ALA CA C 539 54.526 54.526 54.409 0.117 19383 3821 1 14 . 1 1 539 539 ALA CB C 539 18.780 18.780 17.363 1.417 19383 3822 1 14 . 1 1 539 539 ALA H H 539 8.208 8.208 7.939 0.269 19383 3823 1 14 . 1 1 540 540 GLU N N 540 116.209 116.209 120.151 -3.942 19383 3824 1 14 . 1 1 540 540 GLU HA H 540 3.933 3.933 4.039 -0.106 19383 3825 1 14 . 1 1 540 540 GLU C C 540 176.525 176.525 177.119 -0.594 19383 3826 1 14 . 1 1 540 540 GLU CA C 540 58.522 58.522 59.212 -0.690 19383 3827 1 14 . 1 1 540 540 GLU CB C 540 28.907 28.907 29.477 -0.570 19383 3828 1 14 . 1 1 540 540 GLU H H 540 8.162 8.162 8.839 -0.677 19383 3829 1 14 . 1 1 541 541 GLY N N 541 107.297 107.297 103.222 4.075 19383 3830 1 14 . 1 1 541 541 GLY C C 541 178.784 178.784 174.658 4.126 19383 3831 1 14 . 1 1 541 541 GLY CA C 541 45.692 45.692 44.846 0.846 19383 3832 1 14 . 1 1 541 541 GLY H H 541 8.033 8.033 8.365 -0.332 19383 3833 1 14 . 1 1 542 542 ILE N N 542 121.066 121.066 116.609 4.457 19383 3834 1 14 . 1 1 542 542 ILE HA H 542 3.765 3.765 3.814 -0.049 19383 3835 1 14 . 1 1 542 542 ILE C C 542 176.804 176.804 175.588 1.216 19383 3836 1 14 . 1 1 542 542 ILE CA C 542 63.871 63.871 61.904 1.967 19383 3837 1 14 . 1 1 542 542 ILE CB C 542 38.075 38.075 37.172 0.903 19383 3838 1 14 . 1 1 542 542 ILE H H 542 7.870 7.870 7.296 0.574 19383 3839 1 14 . 1 1 543 543 TYR N N 543 120.347 120.347 118.488 1.859 19383 3840 1 14 . 1 1 543 543 TYR HA H 543 4.144 4.144 4.524 -0.380 19383 3841 1 14 . 1 1 543 543 TYR C C 543 179.780 179.780 176.271 3.509 19383 3842 1 14 . 1 1 543 543 TYR CA C 543 60.629 60.629 58.389 2.240 19383 3843 1 14 . 1 1 543 543 TYR CB C 543 38.425 38.425 39.416 -0.991 19383 3844 1 14 . 1 1 543 543 TYR H H 543 8.066 8.066 8.078 -0.012 19383 3845 1 14 . 1 1 544 544 ALA N N 544 119.787 119.787 121.339 -1.552 19383 3846 1 14 . 1 1 544 544 ALA HA H 544 3.926 3.926 4.398 -0.472 19383 3847 1 14 . 1 1 544 544 ALA C C 544 175.014 175.014 177.286 -2.272 19383 3848 1 14 . 1 1 544 544 ALA CA C 544 54.262 54.262 52.909 1.353 19383 3849 1 14 . 1 1 544 544 ALA CB C 544 18.991 18.991 19.950 -0.959 19383 3850 1 14 . 1 1 544 544 ALA H H 544 7.910 7.910 7.874 0.036 19383 3851 1 14 . 1 1 545 545 GLU N N 545 115.906 115.906 118.245 -2.339 19383 3852 1 14 . 1 1 545 545 GLU HA H 545 4.056 4.056 4.353 -0.297 19383 3853 1 14 . 1 1 545 545 GLU C C 545 176.541 176.541 177.965 -1.424 19383 3854 1 14 . 1 1 545 545 GLU CA C 545 56.978 56.978 56.141 0.837 19383 3855 1 14 . 1 1 545 545 GLU CB C 545 29.625 29.625 31.885 -2.260 19383 3856 1 14 . 1 1 545 545 GLU H H 545 7.866 7.866 7.540 0.326 19383 3857 1 14 . 1 1 546 546 GLY N N 546 107.293 107.293 109.240 -1.947 19383 3858 1 14 . 1 1 546 546 GLY C C 546 180.358 180.358 174.304 6.054 19383 3859 1 14 . 1 1 546 546 GLY CA C 546 45.645 45.645 46.825 -1.179 19383 3860 1 14 . 1 1 546 546 GLY H H 546 8.019 8.019 8.386 -0.367 19383 3861 1 14 . 1 1 547 547 LEU N N 547 121.469 121.469 114.547 6.922 19383 3862 1 14 . 1 1 547 547 LEU HA H 547 4.147 4.147 4.490 -0.343 19383 3863 1 14 . 1 1 547 547 LEU C C 547 176.730 176.730 176.448 0.282 19383 3864 1 14 . 1 1 547 547 LEU CA C 547 55.851 55.851 56.440 -0.589 19383 3865 1 14 . 1 1 547 547 LEU CB C 547 42.514 42.514 41.847 0.667 19383 3866 1 14 . 1 1 547 547 LEU H H 547 7.892 7.892 7.622 0.270 19383 3867 1 14 . 1 1 548 548 MET N N 548 116.092 116.092 119.289 -3.197 19383 3868 1 14 . 1 1 548 548 MET HA H 548 4.218 4.218 4.575 -0.357 19383 3869 1 14 . 1 1 548 548 MET C C 548 177.832 177.832 177.377 0.455 19383 3870 1 14 . 1 1 548 548 MET CA C 548 55.861 55.861 55.362 0.499 19383 3871 1 14 . 1 1 548 548 MET CB C 548 32.338 32.338 32.513 -0.175 19383 3872 1 14 . 1 1 548 548 MET H H 548 7.995 7.995 8.266 -0.271 19383 3873 1 14 . 1 1 549 549 HIS N N 549 116.959 116.959 118.986 -2.027 19383 3874 1 14 . 1 1 549 549 HIS HA H 549 4.577 4.577 4.628 -0.051 19383 3875 1 14 . 1 1 549 549 HIS C C 549 179.852 179.852 175.275 4.577 19383 3876 1 14 . 1 1 549 549 HIS CA C 549 55.656 55.656 57.757 -2.101 19383 3877 1 14 . 1 1 549 549 HIS CB C 549 28.847 28.847 29.189 -0.343 19383 3878 1 14 . 1 1 549 549 HIS H H 549 8.074 8.074 8.535 -0.461 19383 3879 1 14 . 1 1 550 550 ASN N N 550 118.599 118.599 115.008 3.591 19383 3880 1 14 . 1 1 550 550 ASN HA H 550 4.611 4.611 4.523 0.088 19383 3881 1 14 . 1 1 550 550 ASN C C 550 178.753 178.753 175.514 3.239 19383 3882 1 14 . 1 1 550 550 ASN CA C 550 53.651 53.651 53.882 -0.231 19383 3883 1 14 . 1 1 550 550 ASN CB C 550 38.884 38.884 39.342 -0.458 19383 3884 1 14 . 1 1 550 550 ASN H H 550 8.235 8.235 7.795 0.440 19383 3885 1 14 . 1 1 551 551 GLN N N 551 119.902 119.902 120.003 -0.101 19383 3886 1 14 . 1 1 551 551 GLN HA H 551 4.203 4.203 4.302 -0.099 19383 3887 1 14 . 1 1 551 551 GLN C C 551 178.390 178.390 175.092 3.298 19383 3888 1 14 . 1 1 551 551 GLN CA C 551 56.276 56.276 55.108 1.168 19383 3889 1 14 . 1 1 551 551 GLN CB C 551 28.931 28.931 26.009 2.922 19383 3890 1 14 . 1 1 551 551 GLN H H 551 8.359 8.359 7.737 0.622 19383 3891 1 14 . 1 1 552 552 ASP N N 552 119.524 119.524 114.102 5.422 19383 3892 1 14 . 1 1 552 552 ASP HA H 552 4.448 4.448 4.939 -0.491 19383 3893 1 14 . 1 1 552 552 ASP C C 552 177.522 177.522 177.360 0.162 19383 3894 1 14 . 1 1 552 552 ASP CA C 552 54.856 54.856 52.909 1.947 19383 3895 1 14 . 1 1 552 552 ASP CB C 552 40.814 40.814 40.939 -0.125 19383 3896 1 14 . 1 1 552 552 ASP H H 552 8.190 8.190 8.480 -0.290 19383 3897 1 14 . 1 1 553 553 GLY N N 553 108.043 108.043 107.360 0.683 19383 3898 1 14 . 1 1 553 553 GLY C C 553 179.757 179.757 175.713 4.044 19383 3899 1 14 . 1 1 553 553 GLY CA C 553 45.626 45.626 45.341 0.285 19383 3900 1 14 . 1 1 553 553 GLY H H 553 8.130 8.130 8.046 0.084 19383 3901 1 14 . 1 1 554 554 LEU N N 554 121.485 121.485 123.170 -1.685 19383 3902 1 14 . 1 1 554 554 LEU HA H 554 4.168 4.168 4.089 0.079 19383 3903 1 14 . 1 1 554 554 LEU C C 554 176.732 176.732 178.142 -1.410 19383 3904 1 14 . 1 1 554 554 LEU CA C 554 56.145 56.145 57.859 -1.714 19383 3905 1 14 . 1 1 554 554 LEU CB C 554 42.513 42.513 42.076 0.437 19383 3906 1 14 . 1 1 554 554 LEU H H 554 8.081 8.081 7.481 0.600 19383 3907 1 14 . 1 1 555 555 ILE N N 555 117.390 117.390 118.213 -0.823 19383 3908 1 14 . 1 1 555 555 ILE HA H 555 3.954 3.954 4.104 -0.150 19383 3909 1 14 . 1 1 555 555 ILE C C 555 178.242 178.242 176.366 1.876 19383 3910 1 14 . 1 1 555 555 ILE CA C 555 61.929 61.929 58.689 3.240 19383 3911 1 14 . 1 1 555 555 ILE CB C 555 38.317 38.317 34.447 3.870 19383 3912 1 14 . 1 1 555 555 ILE H H 555 7.976 7.976 7.955 0.021 19383 3913 1 14 . 1 1 556 556 CYS N N 556 119.495 119.495 122.872 -3.377 19383 3914 1 14 . 1 1 556 556 CYS HA H 556 4.411 4.411 4.166 0.245 19383 3915 1 14 . 1 1 556 556 CYS C C 556 178.872 178.872 176.677 2.195 19383 3916 1 14 . 1 1 556 556 CYS CA C 556 56.233 56.233 61.489 -5.256 19383 3917 1 14 . 1 1 556 556 CYS CB C 556 41.438 41.438 26.292 15.146 19383 3918 1 14 . 1 1 556 556 CYS H H 556 8.214 8.214 8.342 -0.128 19383 3919 1 14 . 1 1 557 557 GLY N N 557 108.419 108.419 108.557 -0.138 19383 3920 1 14 . 1 1 557 557 GLY C C 557 180.393 180.393 175.730 4.663 19383 3921 1 14 . 1 1 557 557 GLY CA C 557 45.701 45.701 46.876 -1.175 19383 3922 1 14 . 1 1 557 557 GLY H H 557 8.141 8.141 8.574 -0.433 19383 3923 1 14 . 1 1 558 558 LEU N N 558 120.318 120.318 117.232 3.086 19383 3924 1 14 . 1 1 558 558 LEU HA H 558 4.237 4.237 4.095 0.142 19383 3925 1 14 . 1 1 558 558 LEU C C 558 177.398 177.398 176.933 0.465 19383 3926 1 14 . 1 1 558 558 LEU CA C 558 55.730 55.730 56.489 -0.759 19383 3927 1 14 . 1 1 558 558 LEU CB C 558 42.585 42.585 41.924 0.661 19383 3928 1 14 . 1 1 558 558 LEU H H 558 7.837 7.837 7.495 0.342 19383 3929 1 14 . 1 1 559 559 ARG N N 559 119.828 119.828 114.058 5.770 19383 3930 1 14 . 1 1 559 559 ARG HA H 559 4.245 4.245 3.982 0.263 19383 3931 1 14 . 1 1 559 559 ARG C C 559 179.052 179.052 175.527 3.525 19383 3932 1 14 . 1 1 559 559 ARG CA C 559 55.773 55.773 56.689 -0.916 19383 3933 1 14 . 1 1 559 559 ARG CB C 559 31.191 31.191 28.180 3.011 19383 3934 1 14 . 1 1 559 559 ARG H H 559 8.007 8.007 7.836 0.171 19383 3935 1 15 . 1 1 508 508 GLN N N 508 120.721 120.721 120.470 0.251 19383 3936 1 15 . 1 1 508 508 GLN HA H 508 4.607 4.607 4.669 -0.062 19383 3937 1 15 . 1 1 508 508 GLN CA C 508 53.627 53.627 54.299 -0.672 19383 3938 1 15 . 1 1 508 508 GLN CB C 508 28.849 28.849 29.358 -0.509 19383 3939 1 15 . 1 1 508 508 GLN H H 508 8.575 8.575 8.495 0.080 19383 3940 1 15 . 1 1 509 509 PRO HA H 509 4.329 4.329 4.365 -0.036 19383 3941 1 15 . 1 1 509 509 PRO C C 509 177.740 177.740 177.297 0.443 19383 3942 1 15 . 1 1 509 509 PRO CA C 509 63.094 63.094 64.035 -0.941 19383 3943 1 15 . 1 1 509 509 PRO CB C 509 32.083 32.083 32.361 -0.279 19383 3944 1 15 . 1 1 510 510 LYS N N 510 121.228 121.228 113.349 7.879 19383 3945 1 15 . 1 1 510 510 LYS HA H 510 4.233 4.233 4.310 -0.077 19383 3946 1 15 . 1 1 510 510 LYS C C 510 177.951 177.951 175.896 2.055 19383 3947 1 15 . 1 1 510 510 LYS CA C 510 55.910 55.910 56.491 -0.581 19383 3948 1 15 . 1 1 510 510 LYS CB C 510 32.985 32.985 32.766 0.219 19383 3949 1 15 . 1 1 510 510 LYS H H 510 8.330 8.330 8.330 0.000 19383 3950 1 15 . 1 1 511 511 CYS N N 511 119.374 119.374 120.169 -0.795 19383 3951 1 15 . 1 1 511 511 CYS HA H 511 4.562 4.562 4.287 0.275 19383 3952 1 15 . 1 1 511 511 CYS C C 511 180.885 180.885 173.741 7.144 19383 3953 1 15 . 1 1 511 511 CYS CA C 511 55.085 55.085 59.746 -4.661 19383 3954 1 15 . 1 1 511 511 CYS CB C 511 41.809 41.809 25.127 16.682 19383 3955 1 15 . 1 1 511 511 CYS H H 511 8.284 8.284 8.326 -0.042 19383 3956 1 15 . 1 1 512 512 ASN N N 512 122.292 122.292 118.421 3.871 19383 3957 1 15 . 1 1 512 512 ASN HA H 512 4.898 4.898 4.994 -0.096 19383 3958 1 15 . 1 1 512 512 ASN CA C 512 50.921 50.921 51.239 -0.318 19383 3959 1 15 . 1 1 512 512 ASN CB C 512 39.105 39.105 39.873 -0.769 19383 3960 1 15 . 1 1 512 512 ASN H H 512 8.614 8.614 8.243 0.371 19383 3961 1 15 . 1 1 513 513 PRO HA H 513 4.294 4.294 4.755 -0.461 19383 3962 1 15 . 1 1 513 513 PRO C C 513 177.920 177.920 177.197 0.723 19383 3963 1 15 . 1 1 513 513 PRO CA C 513 63.373 63.373 63.749 -0.376 19383 3964 1 15 . 1 1 513 513 PRO CB C 513 31.880 31.880 32.124 -0.244 19383 3965 1 15 . 1 1 514 514 ASN N N 514 117.476 117.476 118.845 -1.369 19383 3966 1 15 . 1 1 514 514 ASN HA H 514 4.557 4.557 4.438 0.119 19383 3967 1 15 . 1 1 514 514 ASN C C 514 179.369 179.369 175.954 3.415 19383 3968 1 15 . 1 1 514 514 ASN CA C 514 53.454 53.454 55.121 -1.667 19383 3969 1 15 . 1 1 514 514 ASN CB C 514 38.954 38.954 38.084 0.870 19383 3970 1 15 . 1 1 514 514 ASN H H 514 8.285 8.285 8.618 -0.333 19383 3971 1 15 . 1 1 515 515 LEU N N 515 121.054 121.054 121.002 0.052 19383 3972 1 15 . 1 1 515 515 LEU HA H 515 4.154 4.154 4.168 -0.014 19383 3973 1 15 . 1 1 515 515 LEU C C 515 177.719 177.719 175.902 1.817 19383 3974 1 15 . 1 1 515 515 LEU CA C 515 55.268 55.268 53.193 2.075 19383 3975 1 15 . 1 1 515 515 LEU CB C 515 42.079 42.079 39.498 2.581 19383 3976 1 15 . 1 1 515 515 LEU H H 515 7.770 7.770 7.342 0.428 19383 3977 1 15 . 1 1 516 516 HIS N N 516 117.461 117.461 121.190 -3.729 19383 3978 1 15 . 1 1 516 516 HIS HA H 516 4.451 4.451 4.273 0.178 19383 3979 1 15 . 1 1 516 516 HIS C C 516 179.871 179.871 175.098 4.773 19383 3980 1 15 . 1 1 516 516 HIS CA C 516 55.414 55.414 57.862 -2.448 19383 3981 1 15 . 1 1 516 516 HIS CB C 516 28.867 28.867 30.559 -1.692 19383 3982 1 15 . 1 1 516 516 HIS H H 516 8.126 8.126 7.106 1.020 19383 3983 1 15 . 1 1 517 517 TYR N N 517 120.302 120.302 115.873 4.429 19383 3984 1 15 . 1 1 517 517 TYR HA H 517 4.222 4.222 4.270 -0.048 19383 3985 1 15 . 1 1 517 517 TYR C C 517 178.883 178.883 175.932 2.951 19383 3986 1 15 . 1 1 517 517 TYR CA C 517 59.410 59.410 59.628 -0.218 19383 3987 1 15 . 1 1 517 517 TYR CB C 517 38.843 38.843 37.966 0.877 19383 3988 1 15 . 1 1 517 517 TYR H H 517 8.101 8.101 7.770 0.331 19383 3989 1 15 . 1 1 518 518 TRP N N 518 118.660 118.660 113.411 5.249 19383 3990 1 15 . 1 1 518 518 TRP HA H 518 4.569 4.569 5.100 -0.531 19383 3991 1 15 . 1 1 518 518 TRP C C 518 178.468 178.468 176.237 2.231 19383 3992 1 15 . 1 1 518 518 TRP CA C 518 57.501 57.501 54.981 2.520 19383 3993 1 15 . 1 1 518 518 TRP CB C 518 29.619 29.619 32.148 -2.529 19383 3994 1 15 . 1 1 518 518 TRP H H 518 7.665 7.665 6.981 0.684 19383 3995 1 15 . 1 1 519 519 THR N N 519 112.373 112.373 112.870 -0.497 19383 3996 1 15 . 1 1 519 519 THR HA H 519 4.351 4.351 3.536 0.815 19383 3997 1 15 . 1 1 519 519 THR C C 519 179.594 179.594 175.602 3.992 19383 3998 1 15 . 1 1 519 519 THR CA C 519 61.654 61.654 65.318 -3.664 19383 3999 1 15 . 1 1 519 519 THR CB C 519 69.859 69.859 66.866 2.993 19383 4000 1 15 . 1 1 519 519 THR H H 519 7.894 7.894 7.386 0.508 19383 4001 1 15 . 1 1 520 520 THR N N 520 114.438 114.438 116.025 -1.587 19383 4002 1 15 . 1 1 520 520 THR HA H 520 4.256 4.256 4.560 -0.304 19383 4003 1 15 . 1 1 520 520 THR C C 520 179.419 179.419 176.142 3.277 19383 4004 1 15 . 1 1 520 520 THR CA C 520 62.019 62.019 64.214 -2.195 19383 4005 1 15 . 1 1 520 520 THR CB C 520 69.709 69.709 69.101 0.608 19383 4006 1 15 . 1 1 520 520 THR H H 520 7.957 7.957 8.547 -0.590 19383 4007 1 15 . 1 1 521 521 GLN N N 521 121.453 121.453 122.007 -0.554 19383 4008 1 15 . 1 1 521 521 GLN HA H 521 4.175 4.175 4.198 -0.023 19383 4009 1 15 . 1 1 521 521 GLN C C 521 178.345 178.345 176.594 1.751 19383 4010 1 15 . 1 1 521 521 GLN CA C 521 56.302 56.302 58.271 -1.969 19383 4011 1 15 . 1 1 521 521 GLN CB C 521 29.118 29.118 28.708 0.410 19383 4012 1 15 . 1 1 521 521 GLN H H 521 8.224 8.224 8.690 -0.466 19383 4013 1 15 . 1 1 522 522 ASP N N 522 120.227 120.227 117.706 2.521 19383 4014 1 15 . 1 1 522 522 ASP HA H 522 4.461 4.461 4.671 -0.210 19383 4015 1 15 . 1 1 522 522 ASP C C 522 177.838 177.838 177.117 0.721 19383 4016 1 15 . 1 1 522 522 ASP CA C 522 54.741 54.741 54.956 -0.215 19383 4017 1 15 . 1 1 522 522 ASP CB C 522 40.847 40.847 40.878 -0.031 19383 4018 1 15 . 1 1 522 522 ASP H H 522 8.155 8.155 7.853 0.302 19383 4019 1 15 . 1 1 523 523 GLU N N 523 120.511 120.511 119.603 0.908 19383 4020 1 15 . 1 1 523 523 GLU HA H 523 4.102 4.102 4.091 0.011 19383 4021 1 15 . 1 1 523 523 GLU C C 523 177.165 177.165 177.088 0.077 19383 4022 1 15 . 1 1 523 523 GLU CA C 523 57.161 57.161 58.365 -1.204 19383 4023 1 15 . 1 1 523 523 GLU CB C 523 29.153 29.153 29.475 -0.322 19383 4024 1 15 . 1 1 523 523 GLU H H 523 8.250 8.250 7.879 0.371 19383 4025 1 15 . 1 1 524 524 GLY N N 524 108.395 108.395 106.450 1.945 19383 4026 1 15 . 1 1 524 524 GLY C C 524 179.999 179.999 173.562 6.437 19383 4027 1 15 . 1 1 524 524 GLY CA C 524 45.791 45.791 44.618 1.173 19383 4028 1 15 . 1 1 524 524 GLY H H 524 8.308 8.308 7.785 0.523 19383 4029 1 15 . 1 1 525 525 ALA N N 525 123.026 123.026 123.382 -0.356 19383 4030 1 15 . 1 1 525 525 ALA HA H 525 4.139 4.139 4.634 -0.495 19383 4031 1 15 . 1 1 525 525 ALA C C 525 176.642 176.642 177.446 -0.804 19383 4032 1 15 . 1 1 525 525 ALA CA C 525 52.706 52.706 52.642 0.064 19383 4033 1 15 . 1 1 525 525 ALA CB C 525 19.148 19.148 19.916 -0.768 19383 4034 1 15 . 1 1 525 525 ALA H H 525 7.884 7.884 7.837 0.047 19383 4035 1 15 . 1 1 526 526 ALA N N 526 121.593 121.593 121.911 -0.318 19383 4036 1 15 . 1 1 526 526 ALA HA H 526 4.164 4.164 4.735 -0.571 19383 4037 1 15 . 1 1 526 526 ALA C C 526 176.320 176.320 177.446 -1.126 19383 4038 1 15 . 1 1 526 526 ALA CA C 526 52.788 52.788 52.260 0.528 19383 4039 1 15 . 1 1 526 526 ALA CB C 526 19.055 19.055 19.807 -0.752 19383 4040 1 15 . 1 1 526 526 ALA H H 526 8.027 8.027 7.883 0.144 19383 4041 1 15 . 1 1 527 527 ILE N N 527 117.907 117.907 114.420 3.487 19383 4042 1 15 . 1 1 527 527 ILE HA H 527 3.874 3.874 4.226 -0.352 19383 4043 1 15 . 1 1 527 527 ILE C C 527 177.983 177.983 177.083 0.900 19383 4044 1 15 . 1 1 527 527 ILE CA C 527 61.894 61.894 60.518 1.376 19383 4045 1 15 . 1 1 527 527 ILE CB C 527 38.485 38.485 37.617 0.869 19383 4046 1 15 . 1 1 527 527 ILE H H 527 7.913 7.913 7.767 0.146 19383 4047 1 15 . 1 1 528 528 GLY N N 528 109.328 109.328 108.809 0.519 19383 4048 1 15 . 1 1 528 528 GLY C C 528 180.040 180.040 175.395 4.645 19383 4049 1 15 . 1 1 528 528 GLY CA C 528 45.877 45.877 46.981 -1.104 19383 4050 1 15 . 1 1 528 528 GLY H H 528 8.045 8.045 8.552 -0.507 19383 4051 1 15 . 1 1 529 529 LEU N N 529 119.297 119.297 116.825 2.472 19383 4052 1 15 . 1 1 529 529 LEU HA H 529 4.076 4.076 4.776 -0.700 19383 4053 1 15 . 1 1 529 529 LEU C C 529 177.413 177.413 177.443 -0.030 19383 4054 1 15 . 1 1 529 529 LEU CA C 529 55.759 55.759 56.029 -0.270 19383 4055 1 15 . 1 1 529 529 LEU CB C 529 42.321 42.321 42.417 -0.096 19383 4056 1 15 . 1 1 529 529 LEU H H 529 8.083 8.083 7.627 0.456 19383 4057 1 15 . 1 1 530 530 ALA N N 530 120.355 120.355 120.114 0.241 19383 4058 1 15 . 1 1 530 530 ALA HA H 530 4.035 4.035 4.553 -0.518 19383 4059 1 15 . 1 1 530 530 ALA C C 530 177.142 177.142 178.703 -1.561 19383 4060 1 15 . 1 1 530 530 ALA CA C 530 53.814 53.814 51.604 2.210 19383 4061 1 15 . 1 1 530 530 ALA CB C 530 18.780 18.780 19.250 -0.470 19383 4062 1 15 . 1 1 530 530 ALA H H 530 8.015 8.015 7.765 0.250 19383 4063 1 15 . 1 1 531 531 TRP N N 531 114.575 114.575 123.576 -9.001 19383 4064 1 15 . 1 1 531 531 TRP HA H 531 4.589 4.589 4.578 0.011 19383 4065 1 15 . 1 1 531 531 TRP C C 531 177.968 177.968 174.921 3.047 19383 4066 1 15 . 1 1 531 531 TRP CA C 531 56.378 56.378 58.379 -2.001 19383 4067 1 15 . 1 1 531 531 TRP CB C 531 29.409 29.409 28.776 0.633 19383 4068 1 15 . 1 1 531 531 TRP H H 531 7.398 7.398 8.327 -0.929 19383 4069 1 15 . 1 1 532 532 ILE N N 532 121.501 121.501 113.236 8.265 19383 4070 1 15 . 1 1 532 532 ILE HA H 532 3.768 3.768 4.316 -0.548 19383 4071 1 15 . 1 1 532 532 ILE CA C 532 63.813 63.813 57.564 6.249 19383 4072 1 15 . 1 1 532 532 ILE H H 532 7.197 7.197 7.651 -0.454 19383 4073 1 15 . 1 1 533 533 PRO HA H 533 4.169 4.169 4.392 -0.223 19383 4074 1 15 . 1 1 533 533 PRO CA C 533 64.431 64.431 63.608 0.823 19383 4075 1 15 . 1 1 533 533 PRO CB C 533 32.238 32.238 31.337 0.901 19383 4076 1 15 . 1 1 534 534 TYR HA H 534 4.086 4.086 4.337 -0.251 19383 4077 1 15 . 1 1 534 534 TYR CA C 534 60.819 60.819 59.985 0.834 19383 4078 1 15 . 1 1 534 534 TYR CB C 534 38.437 38.437 39.214 -0.777 19383 4079 1 15 . 1 1 534 534 TYR H H 534 8.066 8.066 8.648 -0.582 19383 4080 1 15 . 1 1 535 535 PHE HA H 535 4.316 4.316 4.616 -0.300 19383 4081 1 15 . 1 1 535 535 PHE C C 535 175.669 175.669 176.568 -0.899 19383 4082 1 15 . 1 1 535 535 PHE CA C 535 58.885 58.885 58.344 0.541 19383 4083 1 15 . 1 1 535 535 PHE CB C 535 40.304 40.304 39.793 0.511 19383 4084 1 15 . 1 1 535 535 PHE H H 535 8.123 8.123 8.346 -0.223 19383 4085 1 15 . 1 1 536 536 GLY N N 536 107.103 107.103 109.299 -2.196 19383 4086 1 15 . 1 1 536 536 GLY CA C 536 46.510 46.510 43.774 2.736 19383 4087 1 15 . 1 1 536 536 GLY H H 536 8.031 8.031 8.025 0.006 19383 4088 1 15 . 1 1 537 537 PRO HA H 537 4.210 4.210 4.328 -0.118 19383 4089 1 15 . 1 1 537 537 PRO C C 537 175.183 175.183 176.865 -1.682 19383 4090 1 15 . 1 1 537 537 PRO CA C 537 64.563 64.563 62.561 2.002 19383 4091 1 15 . 1 1 537 537 PRO CB C 537 31.618 31.618 32.471 -0.853 19383 4092 1 15 . 1 1 538 538 ALA N N 538 120.228 120.228 121.685 -1.457 19383 4093 1 15 . 1 1 538 538 ALA HA H 538 4.095 4.095 4.008 0.087 19383 4094 1 15 . 1 1 538 538 ALA C C 538 175.268 175.268 179.539 -4.271 19383 4095 1 15 . 1 1 538 538 ALA CA C 538 54.373 54.373 54.913 -0.540 19383 4096 1 15 . 1 1 538 538 ALA CB C 538 18.694 18.694 18.361 0.333 19383 4097 1 15 . 1 1 538 538 ALA H H 538 7.799 7.799 8.245 -0.446 19383 4098 1 15 . 1 1 539 539 ALA N N 539 120.412 120.412 118.369 2.043 19383 4099 1 15 . 1 1 539 539 ALA HA H 539 3.883 3.883 4.132 -0.249 19383 4100 1 15 . 1 1 539 539 ALA C C 539 175.516 175.516 179.658 -4.142 19383 4101 1 15 . 1 1 539 539 ALA CA C 539 54.526 54.526 54.572 -0.045 19383 4102 1 15 . 1 1 539 539 ALA CB C 539 18.780 18.780 16.997 1.783 19383 4103 1 15 . 1 1 539 539 ALA H H 539 8.208 8.208 8.437 -0.229 19383 4104 1 15 . 1 1 540 540 GLU N N 540 116.209 116.209 119.808 -3.599 19383 4105 1 15 . 1 1 540 540 GLU HA H 540 3.933 3.933 4.115 -0.182 19383 4106 1 15 . 1 1 540 540 GLU C C 540 176.525 176.525 177.285 -0.760 19383 4107 1 15 . 1 1 540 540 GLU CA C 540 58.522 58.522 59.149 -0.627 19383 4108 1 15 . 1 1 540 540 GLU CB C 540 28.907 28.907 29.616 -0.710 19383 4109 1 15 . 1 1 540 540 GLU H H 540 8.162 8.162 8.646 -0.484 19383 4110 1 15 . 1 1 541 541 GLY N N 541 107.297 107.297 104.205 3.092 19383 4111 1 15 . 1 1 541 541 GLY C C 541 178.784 178.784 174.857 3.927 19383 4112 1 15 . 1 1 541 541 GLY CA C 541 45.692 45.692 45.167 0.525 19383 4113 1 15 . 1 1 541 541 GLY H H 541 8.033 8.033 8.516 -0.483 19383 4114 1 15 . 1 1 542 542 ILE N N 542 121.066 121.066 118.123 2.943 19383 4115 1 15 . 1 1 542 542 ILE HA H 542 3.765 3.765 3.482 0.283 19383 4116 1 15 . 1 1 542 542 ILE C C 542 176.804 176.804 176.237 0.567 19383 4117 1 15 . 1 1 542 542 ILE CA C 542 63.871 63.871 62.265 1.606 19383 4118 1 15 . 1 1 542 542 ILE CB C 542 38.075 38.075 37.542 0.533 19383 4119 1 15 . 1 1 542 542 ILE H H 542 7.870 7.870 7.704 0.166 19383 4120 1 15 . 1 1 543 543 TYR N N 543 120.347 120.347 119.451 0.896 19383 4121 1 15 . 1 1 543 543 TYR HA H 543 4.144 4.144 4.567 -0.423 19383 4122 1 15 . 1 1 543 543 TYR C C 543 179.780 179.780 175.993 3.787 19383 4123 1 15 . 1 1 543 543 TYR CA C 543 60.629 60.629 59.013 1.616 19383 4124 1 15 . 1 1 543 543 TYR CB C 543 38.425 38.425 40.203 -1.778 19383 4125 1 15 . 1 1 543 543 TYR H H 543 8.066 8.066 8.151 -0.085 19383 4126 1 15 . 1 1 544 544 ALA N N 544 119.787 119.787 122.104 -2.317 19383 4127 1 15 . 1 1 544 544 ALA HA H 544 3.926 3.926 4.387 -0.461 19383 4128 1 15 . 1 1 544 544 ALA C C 544 175.014 175.014 177.542 -2.528 19383 4129 1 15 . 1 1 544 544 ALA CA C 544 54.262 54.262 53.500 0.762 19383 4130 1 15 . 1 1 544 544 ALA CB C 544 18.991 18.991 19.657 -0.666 19383 4131 1 15 . 1 1 544 544 ALA H H 544 7.910 7.910 8.005 -0.095 19383 4132 1 15 . 1 1 545 545 GLU N N 545 115.906 115.906 118.350 -2.444 19383 4133 1 15 . 1 1 545 545 GLU HA H 545 4.056 4.056 4.434 -0.378 19383 4134 1 15 . 1 1 545 545 GLU C C 545 176.541 176.541 177.984 -1.443 19383 4135 1 15 . 1 1 545 545 GLU CA C 545 56.978 56.978 55.998 0.980 19383 4136 1 15 . 1 1 545 545 GLU CB C 545 29.625 29.625 32.114 -2.489 19383 4137 1 15 . 1 1 545 545 GLU H H 545 7.866 7.866 7.865 0.001 19383 4138 1 15 . 1 1 546 546 GLY N N 546 107.293 107.293 109.015 -1.722 19383 4139 1 15 . 1 1 546 546 GLY C C 546 180.358 180.358 174.252 6.106 19383 4140 1 15 . 1 1 546 546 GLY CA C 546 45.645 45.645 46.794 -1.149 19383 4141 1 15 . 1 1 546 546 GLY H H 546 8.019 8.019 8.103 -0.084 19383 4142 1 15 . 1 1 547 547 LEU N N 547 121.469 121.469 113.994 7.475 19383 4143 1 15 . 1 1 547 547 LEU HA H 547 4.147 4.147 4.615 -0.468 19383 4144 1 15 . 1 1 547 547 LEU C C 547 176.730 176.730 176.454 0.276 19383 4145 1 15 . 1 1 547 547 LEU CA C 547 55.851 55.851 56.510 -0.659 19383 4146 1 15 . 1 1 547 547 LEU CB C 547 42.514 42.514 41.782 0.732 19383 4147 1 15 . 1 1 547 547 LEU H H 547 7.892 7.892 7.812 0.080 19383 4148 1 15 . 1 1 548 548 MET N N 548 116.092 116.092 119.906 -3.814 19383 4149 1 15 . 1 1 548 548 MET HA H 548 4.218 4.218 4.528 -0.310 19383 4150 1 15 . 1 1 548 548 MET C C 548 177.832 177.832 177.527 0.305 19383 4151 1 15 . 1 1 548 548 MET CA C 548 55.861 55.861 56.496 -0.635 19383 4152 1 15 . 1 1 548 548 MET CB C 548 32.338 32.338 32.579 -0.241 19383 4153 1 15 . 1 1 548 548 MET H H 548 7.995 7.995 8.406 -0.411 19383 4154 1 15 . 1 1 549 549 HIS N N 549 116.959 116.959 115.243 1.716 19383 4155 1 15 . 1 1 549 549 HIS HA H 549 4.577 4.577 4.616 -0.039 19383 4156 1 15 . 1 1 549 549 HIS C C 549 179.852 179.852 175.268 4.584 19383 4157 1 15 . 1 1 549 549 HIS CA C 549 55.656 55.656 56.820 -1.164 19383 4158 1 15 . 1 1 549 549 HIS CB C 549 28.847 28.847 28.445 0.402 19383 4159 1 15 . 1 1 549 549 HIS H H 549 8.074 8.074 8.637 -0.563 19383 4160 1 15 . 1 1 550 550 ASN N N 550 118.599 118.599 115.979 2.620 19383 4161 1 15 . 1 1 550 550 ASN HA H 550 4.611 4.611 4.800 -0.189 19383 4162 1 15 . 1 1 550 550 ASN C C 550 178.753 178.753 175.708 3.045 19383 4163 1 15 . 1 1 550 550 ASN CA C 550 53.651 53.651 53.050 0.601 19383 4164 1 15 . 1 1 550 550 ASN CB C 550 38.884 38.884 39.627 -0.744 19383 4165 1 15 . 1 1 550 550 ASN H H 550 8.235 8.235 7.531 0.704 19383 4166 1 15 . 1 1 551 551 GLN N N 551 119.902 119.902 119.426 0.476 19383 4167 1 15 . 1 1 551 551 GLN HA H 551 4.203 4.203 4.197 0.006 19383 4168 1 15 . 1 1 551 551 GLN C C 551 178.390 178.390 175.137 3.253 19383 4169 1 15 . 1 1 551 551 GLN CA C 551 56.276 56.276 56.078 0.199 19383 4170 1 15 . 1 1 551 551 GLN CB C 551 28.931 28.931 26.457 2.474 19383 4171 1 15 . 1 1 551 551 GLN H H 551 8.359 8.359 7.597 0.762 19383 4172 1 15 . 1 1 552 552 ASP N N 552 119.524 119.524 118.173 1.351 19383 4173 1 15 . 1 1 552 552 ASP HA H 552 4.448 4.448 4.989 -0.541 19383 4174 1 15 . 1 1 552 552 ASP C C 552 177.522 177.522 176.217 1.305 19383 4175 1 15 . 1 1 552 552 ASP CA C 552 54.856 54.856 53.000 1.856 19383 4176 1 15 . 1 1 552 552 ASP CB C 552 40.814 40.814 41.979 -1.165 19383 4177 1 15 . 1 1 552 552 ASP H H 552 8.190 8.190 8.233 -0.043 19383 4178 1 15 . 1 1 553 553 GLY N N 553 108.043 108.043 106.907 1.136 19383 4179 1 15 . 1 1 553 553 GLY C C 553 179.757 179.757 175.377 4.380 19383 4180 1 15 . 1 1 553 553 GLY CA C 553 45.626 45.626 45.561 0.065 19383 4181 1 15 . 1 1 553 553 GLY H H 553 8.130 8.130 7.950 0.180 19383 4182 1 15 . 1 1 554 554 LEU N N 554 121.485 121.485 122.911 -1.426 19383 4183 1 15 . 1 1 554 554 LEU HA H 554 4.168 4.168 4.031 0.137 19383 4184 1 15 . 1 1 554 554 LEU C C 554 176.732 176.732 177.947 -1.215 19383 4185 1 15 . 1 1 554 554 LEU CA C 554 56.145 56.145 57.854 -1.709 19383 4186 1 15 . 1 1 554 554 LEU CB C 554 42.513 42.513 41.913 0.600 19383 4187 1 15 . 1 1 554 554 LEU H H 554 8.081 8.081 7.820 0.261 19383 4188 1 15 . 1 1 555 555 ILE N N 555 117.390 117.390 118.131 -0.741 19383 4189 1 15 . 1 1 555 555 ILE HA H 555 3.954 3.954 4.158 -0.204 19383 4190 1 15 . 1 1 555 555 ILE C C 555 178.242 178.242 175.972 2.270 19383 4191 1 15 . 1 1 555 555 ILE CA C 555 61.929 61.929 58.566 3.363 19383 4192 1 15 . 1 1 555 555 ILE CB C 555 38.317 38.317 34.532 3.785 19383 4193 1 15 . 1 1 555 555 ILE H H 555 7.976 7.976 7.770 0.206 19383 4194 1 15 . 1 1 556 556 CYS N N 556 119.495 119.495 121.321 -1.826 19383 4195 1 15 . 1 1 556 556 CYS HA H 556 4.411 4.411 4.291 0.120 19383 4196 1 15 . 1 1 556 556 CYS C C 556 178.872 178.872 176.552 2.320 19383 4197 1 15 . 1 1 556 556 CYS CA C 556 56.233 56.233 61.533 -5.300 19383 4198 1 15 . 1 1 556 556 CYS CB C 556 41.438 41.438 26.461 14.977 19383 4199 1 15 . 1 1 556 556 CYS H H 556 8.214 8.214 7.791 0.423 19383 4200 1 15 . 1 1 557 557 GLY N N 557 108.419 108.419 107.751 0.668 19383 4201 1 15 . 1 1 557 557 GLY C C 557 180.393 180.393 175.588 4.805 19383 4202 1 15 . 1 1 557 557 GLY CA C 557 45.701 45.701 45.989 -0.288 19383 4203 1 15 . 1 1 557 557 GLY H H 557 8.141 8.141 8.435 -0.294 19383 4204 1 15 . 1 1 558 558 LEU N N 558 120.318 120.318 117.463 2.855 19383 4205 1 15 . 1 1 558 558 LEU HA H 558 4.237 4.237 4.415 -0.178 19383 4206 1 15 . 1 1 558 558 LEU C C 558 177.398 177.398 177.011 0.387 19383 4207 1 15 . 1 1 558 558 LEU CA C 558 55.730 55.730 54.775 0.955 19383 4208 1 15 . 1 1 558 558 LEU CB C 558 42.585 42.585 40.188 2.397 19383 4209 1 15 . 1 1 558 558 LEU H H 558 7.837 7.837 7.247 0.590 19383 4210 1 15 . 1 1 559 559 ARG N N 559 119.828 119.828 119.299 0.529 19383 4211 1 15 . 1 1 559 559 ARG HA H 559 4.245 4.245 4.217 0.028 19383 4212 1 15 . 1 1 559 559 ARG C C 559 179.052 179.052 176.207 2.845 19383 4213 1 15 . 1 1 559 559 ARG CA C 559 55.773 55.773 56.198 -0.425 19383 4214 1 15 . 1 1 559 559 ARG CB C 559 31.191 31.191 30.045 1.146 19383 4215 1 15 . 1 1 559 559 ARG H H 559 8.007 8.007 7.766 0.241 19383 4216 1 16 . 1 1 508 508 GLN N N 508 120.721 120.721 120.753 -0.032 19383 4217 1 16 . 1 1 508 508 GLN HA H 508 4.607 4.607 4.625 -0.018 19383 4218 1 16 . 1 1 508 508 GLN CA C 508 53.627 53.627 54.265 -0.638 19383 4219 1 16 . 1 1 508 508 GLN CB C 508 28.849 28.849 28.940 -0.091 19383 4220 1 16 . 1 1 508 508 GLN H H 508 8.575 8.575 8.496 0.079 19383 4221 1 16 . 1 1 509 509 PRO HA H 509 4.329 4.329 4.307 0.022 19383 4222 1 16 . 1 1 509 509 PRO C C 509 177.740 177.740 176.863 0.877 19383 4223 1 16 . 1 1 509 509 PRO CA C 509 63.094 63.094 64.239 -1.145 19383 4224 1 16 . 1 1 509 509 PRO CB C 509 32.083 32.083 32.353 -0.270 19383 4225 1 16 . 1 1 510 510 LYS N N 510 121.228 121.228 113.430 7.798 19383 4226 1 16 . 1 1 510 510 LYS HA H 510 4.233 4.233 4.284 -0.051 19383 4227 1 16 . 1 1 510 510 LYS C C 510 177.951 177.951 175.602 2.349 19383 4228 1 16 . 1 1 510 510 LYS CA C 510 55.910 55.910 56.516 -0.606 19383 4229 1 16 . 1 1 510 510 LYS CB C 510 32.985 32.985 32.487 0.498 19383 4230 1 16 . 1 1 510 510 LYS H H 510 8.330 8.330 8.396 -0.066 19383 4231 1 16 . 1 1 511 511 CYS N N 511 119.374 119.374 119.252 0.122 19383 4232 1 16 . 1 1 511 511 CYS HA H 511 4.562 4.562 4.397 0.165 19383 4233 1 16 . 1 1 511 511 CYS C C 511 180.885 180.885 174.158 6.727 19383 4234 1 16 . 1 1 511 511 CYS CA C 511 55.085 55.085 59.907 -4.822 19383 4235 1 16 . 1 1 511 511 CYS CB C 511 41.809 41.809 25.188 16.621 19383 4236 1 16 . 1 1 511 511 CYS H H 511 8.284 8.284 8.446 -0.162 19383 4237 1 16 . 1 1 512 512 ASN N N 512 122.292 122.292 119.441 2.851 19383 4238 1 16 . 1 1 512 512 ASN HA H 512 4.898 4.898 5.032 -0.134 19383 4239 1 16 . 1 1 512 512 ASN CA C 512 50.921 50.921 51.498 -0.577 19383 4240 1 16 . 1 1 512 512 ASN CB C 512 39.105 39.105 39.728 -0.624 19383 4241 1 16 . 1 1 512 512 ASN H H 512 8.614 8.614 8.374 0.240 19383 4242 1 16 . 1 1 513 513 PRO HA H 513 4.294 4.294 4.800 -0.506 19383 4243 1 16 . 1 1 513 513 PRO C C 513 177.920 177.920 176.451 1.469 19383 4244 1 16 . 1 1 513 513 PRO CA C 513 63.373 63.373 63.315 0.058 19383 4245 1 16 . 1 1 513 513 PRO CB C 513 31.880 31.880 31.508 0.372 19383 4246 1 16 . 1 1 514 514 ASN N N 514 117.476 117.476 117.493 -0.017 19383 4247 1 16 . 1 1 514 514 ASN HA H 514 4.557 4.557 4.678 -0.121 19383 4248 1 16 . 1 1 514 514 ASN C C 514 179.369 179.369 175.423 3.946 19383 4249 1 16 . 1 1 514 514 ASN CA C 514 53.454 53.454 54.035 -0.581 19383 4250 1 16 . 1 1 514 514 ASN CB C 514 38.954 38.954 39.064 -0.110 19383 4251 1 16 . 1 1 514 514 ASN H H 514 8.285 8.285 8.438 -0.153 19383 4252 1 16 . 1 1 515 515 LEU N N 515 121.054 121.054 122.774 -1.720 19383 4253 1 16 . 1 1 515 515 LEU HA H 515 4.154 4.154 4.500 -0.346 19383 4254 1 16 . 1 1 515 515 LEU C C 515 177.719 177.719 175.929 1.790 19383 4255 1 16 . 1 1 515 515 LEU CA C 515 55.268 55.268 53.849 1.419 19383 4256 1 16 . 1 1 515 515 LEU CB C 515 42.079 42.079 40.422 1.657 19383 4257 1 16 . 1 1 515 515 LEU H H 515 7.770 7.770 7.486 0.284 19383 4258 1 16 . 1 1 516 516 HIS N N 516 117.461 117.461 121.162 -3.701 19383 4259 1 16 . 1 1 516 516 HIS HA H 516 4.451 4.451 4.277 0.174 19383 4260 1 16 . 1 1 516 516 HIS C C 516 179.871 179.871 175.319 4.552 19383 4261 1 16 . 1 1 516 516 HIS CA C 516 55.414 55.414 58.253 -2.839 19383 4262 1 16 . 1 1 516 516 HIS CB C 516 28.867 28.867 30.134 -1.267 19383 4263 1 16 . 1 1 516 516 HIS H H 516 8.126 8.126 7.729 0.397 19383 4264 1 16 . 1 1 517 517 TYR N N 517 120.302 120.302 118.119 2.183 19383 4265 1 16 . 1 1 517 517 TYR HA H 517 4.222 4.222 4.550 -0.328 19383 4266 1 16 . 1 1 517 517 TYR C C 517 178.883 178.883 176.947 1.936 19383 4267 1 16 . 1 1 517 517 TYR CA C 517 59.410 59.410 60.138 -0.728 19383 4268 1 16 . 1 1 517 517 TYR CB C 517 38.843 38.843 38.154 0.689 19383 4269 1 16 . 1 1 517 517 TYR H H 517 8.101 8.101 7.872 0.229 19383 4270 1 16 . 1 1 518 518 TRP N N 518 118.660 118.660 118.611 0.049 19383 4271 1 16 . 1 1 518 518 TRP HA H 518 4.569 4.569 4.582 -0.013 19383 4272 1 16 . 1 1 518 518 TRP C C 518 178.468 178.468 177.744 0.724 19383 4273 1 16 . 1 1 518 518 TRP CA C 518 57.501 57.501 57.976 -0.475 19383 4274 1 16 . 1 1 518 518 TRP CB C 518 29.619 29.619 30.875 -1.256 19383 4275 1 16 . 1 1 518 518 TRP H H 518 7.665 7.665 8.302 -0.637 19383 4276 1 16 . 1 1 519 519 THR N N 519 112.373 112.373 109.568 2.805 19383 4277 1 16 . 1 1 519 519 THR HA H 519 4.351 4.351 3.743 0.608 19383 4278 1 16 . 1 1 519 519 THR C C 519 179.594 179.594 175.212 4.382 19383 4279 1 16 . 1 1 519 519 THR CA C 519 61.654 61.654 65.260 -3.606 19383 4280 1 16 . 1 1 519 519 THR CB C 519 69.859 69.859 67.285 2.574 19383 4281 1 16 . 1 1 519 519 THR H H 519 7.894 7.894 8.174 -0.280 19383 4282 1 16 . 1 1 520 520 THR N N 520 114.438 114.438 117.284 -2.846 19383 4283 1 16 . 1 1 520 520 THR HA H 520 4.256 4.256 4.335 -0.079 19383 4284 1 16 . 1 1 520 520 THR C C 520 179.419 179.419 175.764 3.655 19383 4285 1 16 . 1 1 520 520 THR CA C 520 62.019 62.019 64.085 -2.066 19383 4286 1 16 . 1 1 520 520 THR CB C 520 69.709 69.709 68.400 1.309 19383 4287 1 16 . 1 1 520 520 THR H H 520 7.957 7.957 8.621 -0.664 19383 4288 1 16 . 1 1 521 521 GLN N N 521 121.453 121.453 122.178 -0.725 19383 4289 1 16 . 1 1 521 521 GLN HA H 521 4.175 4.175 4.152 0.023 19383 4290 1 16 . 1 1 521 521 GLN C C 521 178.345 178.345 177.005 1.340 19383 4291 1 16 . 1 1 521 521 GLN CA C 521 56.302 56.302 58.441 -2.139 19383 4292 1 16 . 1 1 521 521 GLN CB C 521 29.118 29.118 28.985 0.133 19383 4293 1 16 . 1 1 521 521 GLN H H 521 8.224 8.224 8.565 -0.341 19383 4294 1 16 . 1 1 522 522 ASP N N 522 120.227 120.227 117.508 2.719 19383 4295 1 16 . 1 1 522 522 ASP HA H 522 4.461 4.461 4.456 0.005 19383 4296 1 16 . 1 1 522 522 ASP C C 522 177.838 177.838 176.646 1.192 19383 4297 1 16 . 1 1 522 522 ASP CA C 522 54.741 54.741 54.656 0.085 19383 4298 1 16 . 1 1 522 522 ASP CB C 522 40.847 40.847 41.078 -0.231 19383 4299 1 16 . 1 1 522 522 ASP H H 522 8.155 8.155 7.749 0.406 19383 4300 1 16 . 1 1 523 523 GLU N N 523 120.511 120.511 118.459 2.052 19383 4301 1 16 . 1 1 523 523 GLU HA H 523 4.102 4.102 3.548 0.554 19383 4302 1 16 . 1 1 523 523 GLU C C 523 177.165 177.165 176.754 0.411 19383 4303 1 16 . 1 1 523 523 GLU CA C 523 57.161 57.161 57.684 -0.524 19383 4304 1 16 . 1 1 523 523 GLU CB C 523 29.153 29.153 29.502 -0.349 19383 4305 1 16 . 1 1 523 523 GLU H H 523 8.250 8.250 7.581 0.669 19383 4306 1 16 . 1 1 524 524 GLY N N 524 108.395 108.395 103.505 4.890 19383 4307 1 16 . 1 1 524 524 GLY C C 524 179.999 179.999 173.578 6.421 19383 4308 1 16 . 1 1 524 524 GLY CA C 524 45.791 45.791 44.590 1.202 19383 4309 1 16 . 1 1 524 524 GLY H H 524 8.308 8.308 7.393 0.915 19383 4310 1 16 . 1 1 525 525 ALA N N 525 123.026 123.026 123.465 -0.439 19383 4311 1 16 . 1 1 525 525 ALA HA H 525 4.139 4.139 4.280 -0.141 19383 4312 1 16 . 1 1 525 525 ALA C C 525 176.642 176.642 177.261 -0.619 19383 4313 1 16 . 1 1 525 525 ALA CA C 525 52.706 52.706 52.776 -0.070 19383 4314 1 16 . 1 1 525 525 ALA CB C 525 19.148 19.148 20.126 -0.978 19383 4315 1 16 . 1 1 525 525 ALA H H 525 7.884 7.884 7.646 0.238 19383 4316 1 16 . 1 1 526 526 ALA N N 526 121.593 121.593 121.237 0.356 19383 4317 1 16 . 1 1 526 526 ALA HA H 526 4.164 4.164 4.674 -0.510 19383 4318 1 16 . 1 1 526 526 ALA C C 526 176.320 176.320 176.406 -0.086 19383 4319 1 16 . 1 1 526 526 ALA CA C 526 52.788 52.788 51.662 1.126 19383 4320 1 16 . 1 1 526 526 ALA CB C 526 19.055 19.055 19.899 -0.844 19383 4321 1 16 . 1 1 526 526 ALA H H 526 8.027 8.027 8.109 -0.082 19383 4322 1 16 . 1 1 527 527 ILE N N 527 117.907 117.907 114.194 3.713 19383 4323 1 16 . 1 1 527 527 ILE HA H 527 3.874 3.874 4.135 -0.261 19383 4324 1 16 . 1 1 527 527 ILE C C 527 177.983 177.983 177.037 0.946 19383 4325 1 16 . 1 1 527 527 ILE CA C 527 61.894 61.894 60.293 1.601 19383 4326 1 16 . 1 1 527 527 ILE CB C 527 38.485 38.485 37.727 0.758 19383 4327 1 16 . 1 1 527 527 ILE H H 527 7.913 7.913 7.599 0.314 19383 4328 1 16 . 1 1 528 528 GLY N N 528 109.328 109.328 108.581 0.747 19383 4329 1 16 . 1 1 528 528 GLY C C 528 180.040 180.040 174.925 5.115 19383 4330 1 16 . 1 1 528 528 GLY CA C 528 45.877 45.877 46.189 -0.312 19383 4331 1 16 . 1 1 528 528 GLY H H 528 8.045 8.045 8.314 -0.269 19383 4332 1 16 . 1 1 529 529 LEU N N 529 119.297 119.297 115.018 4.279 19383 4333 1 16 . 1 1 529 529 LEU HA H 529 4.076 4.076 4.601 -0.525 19383 4334 1 16 . 1 1 529 529 LEU C C 529 177.413 177.413 177.300 0.113 19383 4335 1 16 . 1 1 529 529 LEU CA C 529 55.759 55.759 55.329 0.430 19383 4336 1 16 . 1 1 529 529 LEU CB C 529 42.321 42.321 41.280 1.041 19383 4337 1 16 . 1 1 529 529 LEU H H 529 8.083 8.083 7.322 0.761 19383 4338 1 16 . 1 1 530 530 ALA N N 530 120.355 120.355 120.053 0.302 19383 4339 1 16 . 1 1 530 530 ALA HA H 530 4.035 4.035 4.584 -0.549 19383 4340 1 16 . 1 1 530 530 ALA C C 530 177.142 177.142 179.112 -1.970 19383 4341 1 16 . 1 1 530 530 ALA CA C 530 53.814 53.814 52.237 1.577 19383 4342 1 16 . 1 1 530 530 ALA CB C 530 18.780 18.780 19.731 -0.951 19383 4343 1 16 . 1 1 530 530 ALA H H 530 8.015 8.015 7.308 0.707 19383 4344 1 16 . 1 1 531 531 TRP N N 531 114.575 114.575 121.154 -6.579 19383 4345 1 16 . 1 1 531 531 TRP HA H 531 4.589 4.589 4.670 -0.081 19383 4346 1 16 . 1 1 531 531 TRP C C 531 177.968 177.968 174.713 3.255 19383 4347 1 16 . 1 1 531 531 TRP CA C 531 56.378 56.378 55.316 1.062 19383 4348 1 16 . 1 1 531 531 TRP CB C 531 29.409 29.409 27.159 2.250 19383 4349 1 16 . 1 1 531 531 TRP H H 531 7.398 7.398 8.419 -1.021 19383 4350 1 16 . 1 1 532 532 ILE N N 532 121.501 121.501 114.274 7.227 19383 4351 1 16 . 1 1 532 532 ILE HA H 532 3.768 3.768 4.546 -0.778 19383 4352 1 16 . 1 1 532 532 ILE CA C 532 63.813 63.813 57.818 5.995 19383 4353 1 16 . 1 1 532 532 ILE H H 532 7.197 7.197 7.681 -0.484 19383 4354 1 16 . 1 1 533 533 PRO HA H 533 4.169 4.169 4.333 -0.164 19383 4355 1 16 . 1 1 533 533 PRO CA C 533 64.431 64.431 63.693 0.738 19383 4356 1 16 . 1 1 533 533 PRO CB C 533 32.238 32.238 30.632 1.606 19383 4357 1 16 . 1 1 534 534 TYR HA H 534 4.086 4.086 4.392 -0.306 19383 4358 1 16 . 1 1 534 534 TYR CA C 534 60.819 60.819 59.690 1.129 19383 4359 1 16 . 1 1 534 534 TYR CB C 534 38.437 38.437 39.086 -0.649 19383 4360 1 16 . 1 1 534 534 TYR H H 534 8.066 8.066 8.021 0.045 19383 4361 1 16 . 1 1 535 535 PHE HA H 535 4.316 4.316 4.283 0.033 19383 4362 1 16 . 1 1 535 535 PHE C C 535 175.669 175.669 176.337 -0.668 19383 4363 1 16 . 1 1 535 535 PHE CA C 535 58.885 58.885 59.917 -1.032 19383 4364 1 16 . 1 1 535 535 PHE CB C 535 40.304 40.304 39.326 0.978 19383 4365 1 16 . 1 1 535 535 PHE H H 535 8.123 8.123 8.405 -0.282 19383 4366 1 16 . 1 1 536 536 GLY N N 536 107.103 107.103 105.465 1.638 19383 4367 1 16 . 1 1 536 536 GLY CA C 536 46.510 46.510 44.773 1.737 19383 4368 1 16 . 1 1 536 536 GLY H H 536 8.031 8.031 7.973 0.058 19383 4369 1 16 . 1 1 537 537 PRO HA H 537 4.210 4.210 4.805 -0.595 19383 4370 1 16 . 1 1 537 537 PRO C C 537 175.183 175.183 176.446 -1.263 19383 4371 1 16 . 1 1 537 537 PRO CA C 537 64.563 64.563 62.076 2.487 19383 4372 1 16 . 1 1 537 537 PRO CB C 537 31.618 31.618 32.227 -0.609 19383 4373 1 16 . 1 1 538 538 ALA N N 538 120.228 120.228 121.925 -1.697 19383 4374 1 16 . 1 1 538 538 ALA HA H 538 4.095 4.095 4.076 0.019 19383 4375 1 16 . 1 1 538 538 ALA C C 538 175.268 175.268 179.197 -3.929 19383 4376 1 16 . 1 1 538 538 ALA CA C 538 54.373 54.373 54.703 -0.330 19383 4377 1 16 . 1 1 538 538 ALA CB C 538 18.694 18.694 18.480 0.214 19383 4378 1 16 . 1 1 538 538 ALA H H 538 7.799 7.799 8.264 -0.465 19383 4379 1 16 . 1 1 539 539 ALA N N 539 120.412 120.412 119.038 1.374 19383 4380 1 16 . 1 1 539 539 ALA HA H 539 3.883 3.883 4.194 -0.311 19383 4381 1 16 . 1 1 539 539 ALA C C 539 175.516 175.516 179.557 -4.041 19383 4382 1 16 . 1 1 539 539 ALA CA C 539 54.526 54.526 54.665 -0.139 19383 4383 1 16 . 1 1 539 539 ALA CB C 539 18.780 18.780 16.965 1.815 19383 4384 1 16 . 1 1 539 539 ALA H H 539 8.208 8.208 8.496 -0.288 19383 4385 1 16 . 1 1 540 540 GLU N N 540 116.209 116.209 120.025 -3.816 19383 4386 1 16 . 1 1 540 540 GLU HA H 540 3.933 3.933 4.075 -0.142 19383 4387 1 16 . 1 1 540 540 GLU C C 540 176.525 176.525 177.119 -0.594 19383 4388 1 16 . 1 1 540 540 GLU CA C 540 58.522 58.522 58.923 -0.401 19383 4389 1 16 . 1 1 540 540 GLU CB C 540 28.907 28.907 29.583 -0.676 19383 4390 1 16 . 1 1 540 540 GLU H H 540 8.162 8.162 8.740 -0.578 19383 4391 1 16 . 1 1 541 541 GLY N N 541 107.297 107.297 105.560 1.737 19383 4392 1 16 . 1 1 541 541 GLY C C 541 178.784 178.784 175.565 3.219 19383 4393 1 16 . 1 1 541 541 GLY CA C 541 45.692 45.692 45.275 0.417 19383 4394 1 16 . 1 1 541 541 GLY H H 541 8.033 8.033 8.116 -0.083 19383 4395 1 16 . 1 1 542 542 ILE N N 542 121.066 121.066 118.737 2.329 19383 4396 1 16 . 1 1 542 542 ILE HA H 542 3.765 3.765 3.943 -0.178 19383 4397 1 16 . 1 1 542 542 ILE C C 542 176.804 176.804 175.856 0.948 19383 4398 1 16 . 1 1 542 542 ILE CA C 542 63.871 63.871 62.347 1.524 19383 4399 1 16 . 1 1 542 542 ILE CB C 542 38.075 38.075 36.697 1.379 19383 4400 1 16 . 1 1 542 542 ILE H H 542 7.870 7.870 8.006 -0.136 19383 4401 1 16 . 1 1 543 543 TYR N N 543 120.347 120.347 119.857 0.490 19383 4402 1 16 . 1 1 543 543 TYR HA H 543 4.144 4.144 4.420 -0.276 19383 4403 1 16 . 1 1 543 543 TYR C C 543 179.780 179.780 176.058 3.722 19383 4404 1 16 . 1 1 543 543 TYR CA C 543 60.629 60.629 59.804 0.825 19383 4405 1 16 . 1 1 543 543 TYR CB C 543 38.425 38.425 38.672 -0.247 19383 4406 1 16 . 1 1 543 543 TYR H H 543 8.066 8.066 8.463 -0.397 19383 4407 1 16 . 1 1 544 544 ALA N N 544 119.787 119.787 121.061 -1.274 19383 4408 1 16 . 1 1 544 544 ALA HA H 544 3.926 3.926 4.388 -0.462 19383 4409 1 16 . 1 1 544 544 ALA C C 544 175.014 175.014 177.432 -2.418 19383 4410 1 16 . 1 1 544 544 ALA CA C 544 54.262 54.262 53.016 1.246 19383 4411 1 16 . 1 1 544 544 ALA CB C 544 18.991 18.991 20.140 -1.149 19383 4412 1 16 . 1 1 544 544 ALA H H 544 7.910 7.910 7.556 0.354 19383 4413 1 16 . 1 1 545 545 GLU N N 545 115.906 115.906 118.209 -2.303 19383 4414 1 16 . 1 1 545 545 GLU HA H 545 4.056 4.056 4.406 -0.350 19383 4415 1 16 . 1 1 545 545 GLU C C 545 176.541 176.541 177.876 -1.335 19383 4416 1 16 . 1 1 545 545 GLU CA C 545 56.978 56.978 56.082 0.896 19383 4417 1 16 . 1 1 545 545 GLU CB C 545 29.625 29.625 31.929 -2.304 19383 4418 1 16 . 1 1 545 545 GLU H H 545 7.866 7.866 7.976 -0.110 19383 4419 1 16 . 1 1 546 546 GLY N N 546 107.293 107.293 109.426 -2.133 19383 4420 1 16 . 1 1 546 546 GLY C C 546 180.358 180.358 174.187 6.171 19383 4421 1 16 . 1 1 546 546 GLY CA C 546 45.645 45.645 47.015 -1.370 19383 4422 1 16 . 1 1 546 546 GLY H H 546 8.019 8.019 8.136 -0.117 19383 4423 1 16 . 1 1 547 547 LEU N N 547 121.469 121.469 113.306 8.163 19383 4424 1 16 . 1 1 547 547 LEU HA H 547 4.147 4.147 4.307 -0.160 19383 4425 1 16 . 1 1 547 547 LEU C C 547 176.730 176.730 175.852 0.878 19383 4426 1 16 . 1 1 547 547 LEU CA C 547 55.851 55.851 55.903 -0.052 19383 4427 1 16 . 1 1 547 547 LEU CB C 547 42.514 42.514 41.639 0.875 19383 4428 1 16 . 1 1 547 547 LEU H H 547 7.892 7.892 7.566 0.326 19383 4429 1 16 . 1 1 548 548 MET N N 548 116.092 116.092 119.202 -3.110 19383 4430 1 16 . 1 1 548 548 MET HA H 548 4.218 4.218 4.432 -0.214 19383 4431 1 16 . 1 1 548 548 MET C C 548 177.832 177.832 177.087 0.745 19383 4432 1 16 . 1 1 548 548 MET CA C 548 55.861 55.861 55.409 0.452 19383 4433 1 16 . 1 1 548 548 MET CB C 548 32.338 32.338 32.821 -0.483 19383 4434 1 16 . 1 1 548 548 MET H H 548 7.995 7.995 8.174 -0.179 19383 4435 1 16 . 1 1 549 549 HIS N N 549 116.959 116.959 114.677 2.282 19383 4436 1 16 . 1 1 549 549 HIS HA H 549 4.577 4.577 4.399 0.178 19383 4437 1 16 . 1 1 549 549 HIS C C 549 179.852 179.852 175.234 4.618 19383 4438 1 16 . 1 1 549 549 HIS CA C 549 55.656 55.656 56.648 -0.992 19383 4439 1 16 . 1 1 549 549 HIS CB C 549 28.847 28.847 28.249 0.598 19383 4440 1 16 . 1 1 549 549 HIS H H 549 8.074 8.074 8.075 -0.001 19383 4441 1 16 . 1 1 550 550 ASN N N 550 118.599 118.599 116.183 2.416 19383 4442 1 16 . 1 1 550 550 ASN HA H 550 4.611 4.611 4.756 -0.145 19383 4443 1 16 . 1 1 550 550 ASN C C 550 178.753 178.753 175.159 3.594 19383 4444 1 16 . 1 1 550 550 ASN CA C 550 53.651 53.651 54.285 -0.634 19383 4445 1 16 . 1 1 550 550 ASN CB C 550 38.884 38.884 39.747 -0.863 19383 4446 1 16 . 1 1 550 550 ASN H H 550 8.235 8.235 7.789 0.446 19383 4447 1 16 . 1 1 551 551 GLN N N 551 119.902 119.902 119.245 0.657 19383 4448 1 16 . 1 1 551 551 GLN HA H 551 4.203 4.203 4.136 0.067 19383 4449 1 16 . 1 1 551 551 GLN C C 551 178.390 178.390 175.308 3.082 19383 4450 1 16 . 1 1 551 551 GLN CA C 551 56.276 56.276 56.014 0.262 19383 4451 1 16 . 1 1 551 551 GLN CB C 551 28.931 28.931 26.717 2.214 19383 4452 1 16 . 1 1 551 551 GLN H H 551 8.359 8.359 7.483 0.876 19383 4453 1 16 . 1 1 552 552 ASP N N 552 119.524 119.524 117.343 2.181 19383 4454 1 16 . 1 1 552 552 ASP HA H 552 4.448 4.448 4.810 -0.362 19383 4455 1 16 . 1 1 552 552 ASP C C 552 177.522 177.522 177.241 0.281 19383 4456 1 16 . 1 1 552 552 ASP CA C 552 54.856 54.856 52.359 2.497 19383 4457 1 16 . 1 1 552 552 ASP CB C 552 40.814 40.814 40.523 0.291 19383 4458 1 16 . 1 1 552 552 ASP H H 552 8.190 8.190 8.648 -0.458 19383 4459 1 16 . 1 1 553 553 GLY N N 553 108.043 108.043 107.182 0.861 19383 4460 1 16 . 1 1 553 553 GLY C C 553 179.757 179.757 175.555 4.202 19383 4461 1 16 . 1 1 553 553 GLY CA C 553 45.626 45.626 45.410 0.216 19383 4462 1 16 . 1 1 553 553 GLY H H 553 8.130 8.130 8.032 0.098 19383 4463 1 16 . 1 1 554 554 LEU N N 554 121.485 121.485 122.723 -1.238 19383 4464 1 16 . 1 1 554 554 LEU HA H 554 4.168 4.168 4.112 0.056 19383 4465 1 16 . 1 1 554 554 LEU C C 554 176.732 176.732 178.125 -1.393 19383 4466 1 16 . 1 1 554 554 LEU CA C 554 56.145 56.145 57.863 -1.718 19383 4467 1 16 . 1 1 554 554 LEU CB C 554 42.513 42.513 42.029 0.484 19383 4468 1 16 . 1 1 554 554 LEU H H 554 8.081 8.081 7.322 0.759 19383 4469 1 16 . 1 1 555 555 ILE N N 555 117.390 117.390 118.489 -1.099 19383 4470 1 16 . 1 1 555 555 ILE HA H 555 3.954 3.954 4.038 -0.084 19383 4471 1 16 . 1 1 555 555 ILE C C 555 178.242 178.242 176.356 1.886 19383 4472 1 16 . 1 1 555 555 ILE CA C 555 61.929 61.929 59.030 2.899 19383 4473 1 16 . 1 1 555 555 ILE CB C 555 38.317 38.317 34.544 3.772 19383 4474 1 16 . 1 1 555 555 ILE H H 555 7.976 7.976 7.755 0.221 19383 4475 1 16 . 1 1 556 556 CYS N N 556 119.495 119.495 123.359 -3.864 19383 4476 1 16 . 1 1 556 556 CYS HA H 556 4.411 4.411 4.317 0.094 19383 4477 1 16 . 1 1 556 556 CYS C C 556 178.872 178.872 176.877 1.995 19383 4478 1 16 . 1 1 556 556 CYS CA C 556 56.233 56.233 61.187 -4.954 19383 4479 1 16 . 1 1 556 556 CYS CB C 556 41.438 41.438 26.397 15.041 19383 4480 1 16 . 1 1 556 556 CYS H H 556 8.214 8.214 8.518 -0.304 19383 4481 1 16 . 1 1 557 557 GLY N N 557 108.419 108.419 108.159 0.260 19383 4482 1 16 . 1 1 557 557 GLY C C 557 180.393 180.393 175.646 4.747 19383 4483 1 16 . 1 1 557 557 GLY CA C 557 45.701 45.701 46.570 -0.869 19383 4484 1 16 . 1 1 557 557 GLY H H 557 8.141 8.141 8.630 -0.489 19383 4485 1 16 . 1 1 558 558 LEU N N 558 120.318 120.318 117.848 2.470 19383 4486 1 16 . 1 1 558 558 LEU HA H 558 4.237 4.237 4.230 0.007 19383 4487 1 16 . 1 1 558 558 LEU C C 558 177.398 177.398 176.974 0.424 19383 4488 1 16 . 1 1 558 558 LEU CA C 558 55.730 55.730 55.964 -0.234 19383 4489 1 16 . 1 1 558 558 LEU CB C 558 42.585 42.585 41.458 1.127 19383 4490 1 16 . 1 1 558 558 LEU H H 558 7.837 7.837 7.277 0.560 19383 4491 1 16 . 1 1 559 559 ARG N N 559 119.828 119.828 115.043 4.785 19383 4492 1 16 . 1 1 559 559 ARG HA H 559 4.245 4.245 3.894 0.351 19383 4493 1 16 . 1 1 559 559 ARG C C 559 179.052 179.052 175.306 3.746 19383 4494 1 16 . 1 1 559 559 ARG CA C 559 55.773 55.773 56.765 -0.992 19383 4495 1 16 . 1 1 559 559 ARG CB C 559 31.191 31.191 28.410 2.781 19383 4496 1 16 . 1 1 559 559 ARG H H 559 8.007 8.007 7.666 0.341 19383 4497 1 17 . 1 1 508 508 GLN N N 508 120.721 120.721 120.370 0.351 19383 4498 1 17 . 1 1 508 508 GLN HA H 508 4.607 4.607 4.610 -0.003 19383 4499 1 17 . 1 1 508 508 GLN CA C 508 53.627 53.627 54.060 -0.433 19383 4500 1 17 . 1 1 508 508 GLN CB C 508 28.849 28.849 29.833 -0.984 19383 4501 1 17 . 1 1 508 508 GLN H H 508 8.575 8.575 8.382 0.193 19383 4502 1 17 . 1 1 509 509 PRO HA H 509 4.329 4.329 4.390 -0.061 19383 4503 1 17 . 1 1 509 509 PRO C C 509 177.740 177.740 176.326 1.414 19383 4504 1 17 . 1 1 509 509 PRO CA C 509 63.094 63.094 63.583 -0.489 19383 4505 1 17 . 1 1 509 509 PRO CB C 509 32.083 32.083 32.052 0.031 19383 4506 1 17 . 1 1 510 510 LYS N N 510 121.228 121.228 113.314 7.914 19383 4507 1 17 . 1 1 510 510 LYS HA H 510 4.233 4.233 3.978 0.255 19383 4508 1 17 . 1 1 510 510 LYS C C 510 177.951 177.951 175.477 2.474 19383 4509 1 17 . 1 1 510 510 LYS CA C 510 55.910 55.910 57.149 -1.239 19383 4510 1 17 . 1 1 510 510 LYS CB C 510 32.985 32.985 30.422 2.563 19383 4511 1 17 . 1 1 510 510 LYS H H 510 8.330 8.330 8.171 0.159 19383 4512 1 17 . 1 1 511 511 CYS N N 511 119.374 119.374 118.633 0.741 19383 4513 1 17 . 1 1 511 511 CYS HA H 511 4.562 4.562 4.262 0.300 19383 4514 1 17 . 1 1 511 511 CYS C C 511 180.885 180.885 174.499 6.386 19383 4515 1 17 . 1 1 511 511 CYS CA C 511 55.085 55.085 59.894 -4.809 19383 4516 1 17 . 1 1 511 511 CYS CB C 511 41.809 41.809 25.521 16.288 19383 4517 1 17 . 1 1 511 511 CYS H H 511 8.284 8.284 8.270 0.014 19383 4518 1 17 . 1 1 512 512 ASN N N 512 122.292 122.292 121.432 0.860 19383 4519 1 17 . 1 1 512 512 ASN HA H 512 4.898 4.898 5.075 -0.177 19383 4520 1 17 . 1 1 512 512 ASN CA C 512 50.921 50.921 51.091 -0.170 19383 4521 1 17 . 1 1 512 512 ASN CB C 512 39.105 39.105 39.981 -0.876 19383 4522 1 17 . 1 1 512 512 ASN H H 512 8.614 8.614 8.503 0.111 19383 4523 1 17 . 1 1 513 513 PRO HA H 513 4.294 4.294 4.909 -0.615 19383 4524 1 17 . 1 1 513 513 PRO C C 513 177.920 177.920 176.278 1.642 19383 4525 1 17 . 1 1 513 513 PRO CA C 513 63.373 63.373 63.232 0.141 19383 4526 1 17 . 1 1 513 513 PRO CB C 513 31.880 31.880 31.522 0.358 19383 4527 1 17 . 1 1 514 514 ASN N N 514 117.476 117.476 117.418 0.058 19383 4528 1 17 . 1 1 514 514 ASN HA H 514 4.557 4.557 4.737 -0.180 19383 4529 1 17 . 1 1 514 514 ASN C C 514 179.369 179.369 175.621 3.748 19383 4530 1 17 . 1 1 514 514 ASN CA C 514 53.454 53.454 53.926 -0.472 19383 4531 1 17 . 1 1 514 514 ASN CB C 514 38.954 38.954 39.349 -0.395 19383 4532 1 17 . 1 1 514 514 ASN H H 514 8.285 8.285 8.411 -0.126 19383 4533 1 17 . 1 1 515 515 LEU N N 515 121.054 121.054 123.122 -2.068 19383 4534 1 17 . 1 1 515 515 LEU HA H 515 4.154 4.154 4.730 -0.576 19383 4535 1 17 . 1 1 515 515 LEU C C 515 177.719 177.719 176.371 1.348 19383 4536 1 17 . 1 1 515 515 LEU CA C 515 55.268 55.268 53.991 1.277 19383 4537 1 17 . 1 1 515 515 LEU CB C 515 42.079 42.079 40.431 1.648 19383 4538 1 17 . 1 1 515 515 LEU H H 515 7.770 7.770 7.706 0.064 19383 4539 1 17 . 1 1 516 516 HIS N N 516 117.461 117.461 122.565 -5.104 19383 4540 1 17 . 1 1 516 516 HIS HA H 516 4.451 4.451 4.373 0.078 19383 4541 1 17 . 1 1 516 516 HIS C C 516 179.871 179.871 175.417 4.454 19383 4542 1 17 . 1 1 516 516 HIS CA C 516 55.414 55.414 58.677 -3.263 19383 4543 1 17 . 1 1 516 516 HIS CB C 516 28.867 28.867 30.669 -1.802 19383 4544 1 17 . 1 1 516 516 HIS H H 516 8.126 8.126 7.929 0.197 19383 4545 1 17 . 1 1 517 517 TYR N N 517 120.302 120.302 118.394 1.908 19383 4546 1 17 . 1 1 517 517 TYR HA H 517 4.222 4.222 4.326 -0.104 19383 4547 1 17 . 1 1 517 517 TYR C C 517 178.883 178.883 176.726 2.157 19383 4548 1 17 . 1 1 517 517 TYR CA C 517 59.410 59.410 60.637 -1.227 19383 4549 1 17 . 1 1 517 517 TYR CB C 517 38.843 38.843 37.978 0.865 19383 4550 1 17 . 1 1 517 517 TYR H H 517 8.101 8.101 8.321 -0.220 19383 4551 1 17 . 1 1 518 518 TRP N N 518 118.660 118.660 116.856 1.804 19383 4552 1 17 . 1 1 518 518 TRP HA H 518 4.569 4.569 4.798 -0.229 19383 4553 1 17 . 1 1 518 518 TRP C C 518 178.468 178.468 177.296 1.172 19383 4554 1 17 . 1 1 518 518 TRP CA C 518 57.501 57.501 57.743 -0.242 19383 4555 1 17 . 1 1 518 518 TRP CB C 518 29.619 29.619 30.399 -0.780 19383 4556 1 17 . 1 1 518 518 TRP H H 518 7.665 7.665 8.027 -0.362 19383 4557 1 17 . 1 1 519 519 THR N N 519 112.373 112.373 111.554 0.819 19383 4558 1 17 . 1 1 519 519 THR HA H 519 4.351 4.351 3.775 0.576 19383 4559 1 17 . 1 1 519 519 THR C C 519 179.594 179.594 175.163 4.431 19383 4560 1 17 . 1 1 519 519 THR CA C 519 61.654 61.654 65.203 -3.549 19383 4561 1 17 . 1 1 519 519 THR CB C 519 69.859 69.859 67.602 2.257 19383 4562 1 17 . 1 1 519 519 THR H H 519 7.894 7.894 8.364 -0.470 19383 4563 1 17 . 1 1 520 520 THR N N 520 114.438 114.438 116.886 -2.448 19383 4564 1 17 . 1 1 520 520 THR HA H 520 4.256 4.256 4.299 -0.043 19383 4565 1 17 . 1 1 520 520 THR C C 520 179.419 179.419 176.074 3.345 19383 4566 1 17 . 1 1 520 520 THR CA C 520 62.019 62.019 63.895 -1.877 19383 4567 1 17 . 1 1 520 520 THR CB C 520 69.709 69.709 68.641 1.068 19383 4568 1 17 . 1 1 520 520 THR H H 520 7.957 7.957 8.403 -0.446 19383 4569 1 17 . 1 1 521 521 GLN N N 521 121.453 121.453 121.734 -0.281 19383 4570 1 17 . 1 1 521 521 GLN HA H 521 4.175 4.175 4.205 -0.030 19383 4571 1 17 . 1 1 521 521 GLN C C 521 178.345 178.345 176.804 1.541 19383 4572 1 17 . 1 1 521 521 GLN CA C 521 56.302 56.302 58.629 -2.327 19383 4573 1 17 . 1 1 521 521 GLN CB C 521 29.118 29.118 28.860 0.258 19383 4574 1 17 . 1 1 521 521 GLN H H 521 8.224 8.224 8.510 -0.286 19383 4575 1 17 . 1 1 522 522 ASP N N 522 120.227 120.227 117.426 2.801 19383 4576 1 17 . 1 1 522 522 ASP HA H 522 4.461 4.461 4.692 -0.231 19383 4577 1 17 . 1 1 522 522 ASP C C 522 177.838 177.838 177.136 0.702 19383 4578 1 17 . 1 1 522 522 ASP CA C 522 54.741 54.741 55.792 -1.051 19383 4579 1 17 . 1 1 522 522 ASP CB C 522 40.847 40.847 41.588 -0.741 19383 4580 1 17 . 1 1 522 522 ASP H H 522 8.155 8.155 7.800 0.355 19383 4581 1 17 . 1 1 523 523 GLU N N 523 120.511 120.511 119.331 1.180 19383 4582 1 17 . 1 1 523 523 GLU HA H 523 4.102 4.102 4.279 -0.177 19383 4583 1 17 . 1 1 523 523 GLU C C 523 177.165 177.165 177.085 0.080 19383 4584 1 17 . 1 1 523 523 GLU CA C 523 57.161 57.161 58.023 -0.862 19383 4585 1 17 . 1 1 523 523 GLU CB C 523 29.153 29.153 29.387 -0.234 19383 4586 1 17 . 1 1 523 523 GLU H H 523 8.250 8.250 7.738 0.512 19383 4587 1 17 . 1 1 524 524 GLY N N 524 108.395 108.395 105.052 3.343 19383 4588 1 17 . 1 1 524 524 GLY C C 524 179.999 179.999 173.608 6.391 19383 4589 1 17 . 1 1 524 524 GLY CA C 524 45.791 45.791 44.745 1.046 19383 4590 1 17 . 1 1 524 524 GLY H H 524 8.308 8.308 7.758 0.550 19383 4591 1 17 . 1 1 525 525 ALA N N 525 123.026 123.026 123.556 -0.530 19383 4592 1 17 . 1 1 525 525 ALA HA H 525 4.139 4.139 4.387 -0.248 19383 4593 1 17 . 1 1 525 525 ALA C C 525 176.642 176.642 177.248 -0.606 19383 4594 1 17 . 1 1 525 525 ALA CA C 525 52.706 52.706 52.685 0.021 19383 4595 1 17 . 1 1 525 525 ALA CB C 525 19.148 19.148 20.427 -1.279 19383 4596 1 17 . 1 1 525 525 ALA H H 525 7.884 7.884 7.766 0.118 19383 4597 1 17 . 1 1 526 526 ALA N N 526 121.593 121.593 122.011 -0.418 19383 4598 1 17 . 1 1 526 526 ALA HA H 526 4.164 4.164 4.797 -0.633 19383 4599 1 17 . 1 1 526 526 ALA C C 526 176.320 176.320 176.503 -0.183 19383 4600 1 17 . 1 1 526 526 ALA CA C 526 52.788 52.788 51.811 0.977 19383 4601 1 17 . 1 1 526 526 ALA CB C 526 19.055 19.055 19.869 -0.814 19383 4602 1 17 . 1 1 526 526 ALA H H 526 8.027 8.027 7.947 0.080 19383 4603 1 17 . 1 1 527 527 ILE N N 527 117.907 117.907 114.389 3.518 19383 4604 1 17 . 1 1 527 527 ILE HA H 527 3.874 3.874 4.328 -0.454 19383 4605 1 17 . 1 1 527 527 ILE C C 527 177.983 177.983 177.477 0.506 19383 4606 1 17 . 1 1 527 527 ILE CA C 527 61.894 61.894 59.796 2.098 19383 4607 1 17 . 1 1 527 527 ILE CB C 527 38.485 38.485 37.748 0.737 19383 4608 1 17 . 1 1 527 527 ILE H H 527 7.913 7.913 7.770 0.143 19383 4609 1 17 . 1 1 528 528 GLY N N 528 109.328 109.328 109.344 -0.016 19383 4610 1 17 . 1 1 528 528 GLY C C 528 180.040 180.040 175.378 4.662 19383 4611 1 17 . 1 1 528 528 GLY CA C 528 45.877 45.877 47.296 -1.419 19383 4612 1 17 . 1 1 528 528 GLY H H 528 8.045 8.045 8.537 -0.492 19383 4613 1 17 . 1 1 529 529 LEU N N 529 119.297 119.297 119.755 -0.458 19383 4614 1 17 . 1 1 529 529 LEU HA H 529 4.076 4.076 4.581 -0.505 19383 4615 1 17 . 1 1 529 529 LEU C C 529 177.413 177.413 177.009 0.404 19383 4616 1 17 . 1 1 529 529 LEU CA C 529 55.759 55.759 56.087 -0.328 19383 4617 1 17 . 1 1 529 529 LEU CB C 529 42.321 42.321 41.998 0.323 19383 4618 1 17 . 1 1 529 529 LEU H H 529 8.083 8.083 7.694 0.389 19383 4619 1 17 . 1 1 530 530 ALA N N 530 120.355 120.355 119.826 0.529 19383 4620 1 17 . 1 1 530 530 ALA HA H 530 4.035 4.035 4.476 -0.441 19383 4621 1 17 . 1 1 530 530 ALA C C 530 177.142 177.142 178.599 -1.457 19383 4622 1 17 . 1 1 530 530 ALA CA C 530 53.814 53.814 52.103 1.711 19383 4623 1 17 . 1 1 530 530 ALA CB C 530 18.780 18.780 19.071 -0.291 19383 4624 1 17 . 1 1 530 530 ALA H H 530 8.015 8.015 7.509 0.506 19383 4625 1 17 . 1 1 531 531 TRP N N 531 114.575 114.575 123.122 -8.547 19383 4626 1 17 . 1 1 531 531 TRP HA H 531 4.589 4.589 4.595 -0.006 19383 4627 1 17 . 1 1 531 531 TRP C C 531 177.968 177.968 174.932 3.036 19383 4628 1 17 . 1 1 531 531 TRP CA C 531 56.378 56.378 58.424 -2.046 19383 4629 1 17 . 1 1 531 531 TRP CB C 531 29.409 29.409 29.229 0.180 19383 4630 1 17 . 1 1 531 531 TRP H H 531 7.398 7.398 8.528 -1.130 19383 4631 1 17 . 1 1 532 532 ILE N N 532 121.501 121.501 112.590 8.911 19383 4632 1 17 . 1 1 532 532 ILE HA H 532 3.768 3.768 4.340 -0.572 19383 4633 1 17 . 1 1 532 532 ILE CA C 532 63.813 63.813 57.462 6.351 19383 4634 1 17 . 1 1 532 532 ILE H H 532 7.197 7.197 7.241 -0.044 19383 4635 1 17 . 1 1 533 533 PRO HA H 533 4.169 4.169 4.363 -0.194 19383 4636 1 17 . 1 1 533 533 PRO CA C 533 64.431 64.431 63.569 0.862 19383 4637 1 17 . 1 1 533 533 PRO CB C 533 32.238 32.238 31.896 0.342 19383 4638 1 17 . 1 1 534 534 TYR HA H 534 4.086 4.086 4.345 -0.259 19383 4639 1 17 . 1 1 534 534 TYR CA C 534 60.819 60.819 59.961 0.858 19383 4640 1 17 . 1 1 534 534 TYR CB C 534 38.437 38.437 39.055 -0.618 19383 4641 1 17 . 1 1 534 534 TYR H H 534 8.066 8.066 8.739 -0.673 19383 4642 1 17 . 1 1 535 535 PHE HA H 535 4.316 4.316 4.526 -0.210 19383 4643 1 17 . 1 1 535 535 PHE C C 535 175.669 175.669 176.357 -0.688 19383 4644 1 17 . 1 1 535 535 PHE CA C 535 58.885 58.885 58.215 0.670 19383 4645 1 17 . 1 1 535 535 PHE CB C 535 40.304 40.304 39.756 0.548 19383 4646 1 17 . 1 1 535 535 PHE H H 535 8.123 8.123 8.272 -0.149 19383 4647 1 17 . 1 1 536 536 GLY N N 536 107.103 107.103 109.298 -2.195 19383 4648 1 17 . 1 1 536 536 GLY CA C 536 46.510 46.510 43.739 2.771 19383 4649 1 17 . 1 1 536 536 GLY H H 536 8.031 8.031 7.940 0.091 19383 4650 1 17 . 1 1 537 537 PRO HA H 537 4.210 4.210 4.311 -0.101 19383 4651 1 17 . 1 1 537 537 PRO C C 537 175.183 175.183 176.500 -1.317 19383 4652 1 17 . 1 1 537 537 PRO CA C 537 64.563 64.563 62.587 1.976 19383 4653 1 17 . 1 1 537 537 PRO CB C 537 31.618 31.618 32.486 -0.868 19383 4654 1 17 . 1 1 538 538 ALA N N 538 120.228 120.228 121.497 -1.269 19383 4655 1 17 . 1 1 538 538 ALA HA H 538 4.095 4.095 3.979 0.116 19383 4656 1 17 . 1 1 538 538 ALA C C 538 175.268 175.268 179.332 -4.064 19383 4657 1 17 . 1 1 538 538 ALA CA C 538 54.373 54.373 54.739 -0.366 19383 4658 1 17 . 1 1 538 538 ALA CB C 538 18.694 18.694 18.363 0.331 19383 4659 1 17 . 1 1 538 538 ALA H H 538 7.799 7.799 8.201 -0.402 19383 4660 1 17 . 1 1 539 539 ALA N N 539 120.412 120.412 118.438 1.974 19383 4661 1 17 . 1 1 539 539 ALA HA H 539 3.883 3.883 4.180 -0.297 19383 4662 1 17 . 1 1 539 539 ALA C C 539 175.516 175.516 179.533 -4.017 19383 4663 1 17 . 1 1 539 539 ALA CA C 539 54.526 54.526 54.630 -0.104 19383 4664 1 17 . 1 1 539 539 ALA CB C 539 18.780 18.780 16.900 1.880 19383 4665 1 17 . 1 1 539 539 ALA H H 539 8.208 8.208 8.450 -0.242 19383 4666 1 17 . 1 1 540 540 GLU N N 540 116.209 116.209 120.310 -4.101 19383 4667 1 17 . 1 1 540 540 GLU HA H 540 3.933 3.933 4.070 -0.137 19383 4668 1 17 . 1 1 540 540 GLU C C 540 176.525 176.525 177.132 -0.607 19383 4669 1 17 . 1 1 540 540 GLU CA C 540 58.522 58.522 59.146 -0.624 19383 4670 1 17 . 1 1 540 540 GLU CB C 540 28.907 28.907 29.546 -0.639 19383 4671 1 17 . 1 1 540 540 GLU H H 540 8.162 8.162 8.698 -0.536 19383 4672 1 17 . 1 1 541 541 GLY N N 541 107.297 107.297 104.833 2.464 19383 4673 1 17 . 1 1 541 541 GLY C C 541 178.784 178.784 175.657 3.127 19383 4674 1 17 . 1 1 541 541 GLY CA C 541 45.692 45.692 45.239 0.453 19383 4675 1 17 . 1 1 541 541 GLY H H 541 8.033 8.033 8.151 -0.118 19383 4676 1 17 . 1 1 542 542 ILE N N 542 121.066 121.066 118.769 2.297 19383 4677 1 17 . 1 1 542 542 ILE HA H 542 3.765 3.765 4.076 -0.311 19383 4678 1 17 . 1 1 542 542 ILE C C 542 176.804 176.804 175.935 0.869 19383 4679 1 17 . 1 1 542 542 ILE CA C 542 63.871 63.871 62.131 1.740 19383 4680 1 17 . 1 1 542 542 ILE CB C 542 38.075 38.075 36.585 1.490 19383 4681 1 17 . 1 1 542 542 ILE H H 542 7.870 7.870 7.951 -0.081 19383 4682 1 17 . 1 1 543 543 TYR N N 543 120.347 120.347 120.032 0.315 19383 4683 1 17 . 1 1 543 543 TYR HA H 543 4.144 4.144 4.461 -0.317 19383 4684 1 17 . 1 1 543 543 TYR C C 543 179.780 179.780 176.846 2.934 19383 4685 1 17 . 1 1 543 543 TYR CA C 543 60.629 60.629 60.375 0.254 19383 4686 1 17 . 1 1 543 543 TYR CB C 543 38.425 38.425 38.780 -0.355 19383 4687 1 17 . 1 1 543 543 TYR H H 543 8.066 8.066 8.400 -0.334 19383 4688 1 17 . 1 1 544 544 ALA N N 544 119.787 119.787 121.056 -1.269 19383 4689 1 17 . 1 1 544 544 ALA HA H 544 3.926 3.926 4.413 -0.487 19383 4690 1 17 . 1 1 544 544 ALA C C 544 175.014 175.014 177.696 -2.682 19383 4691 1 17 . 1 1 544 544 ALA CA C 544 54.262 54.262 53.584 0.678 19383 4692 1 17 . 1 1 544 544 ALA CB C 544 18.991 18.991 19.584 -0.593 19383 4693 1 17 . 1 1 544 544 ALA H H 544 7.910 7.910 7.715 0.195 19383 4694 1 17 . 1 1 545 545 GLU N N 545 115.906 115.906 118.290 -2.384 19383 4695 1 17 . 1 1 545 545 GLU HA H 545 4.056 4.056 4.444 -0.388 19383 4696 1 17 . 1 1 545 545 GLU C C 545 176.541 176.541 177.764 -1.223 19383 4697 1 17 . 1 1 545 545 GLU CA C 545 56.978 56.978 56.095 0.883 19383 4698 1 17 . 1 1 545 545 GLU CB C 545 29.625 29.625 31.708 -2.083 19383 4699 1 17 . 1 1 545 545 GLU H H 545 7.866 7.866 7.849 0.017 19383 4700 1 17 . 1 1 546 546 GLY N N 546 107.293 107.293 109.252 -1.959 19383 4701 1 17 . 1 1 546 546 GLY C C 546 180.358 180.358 174.413 5.945 19383 4702 1 17 . 1 1 546 546 GLY CA C 546 45.645 45.645 46.889 -1.244 19383 4703 1 17 . 1 1 546 546 GLY H H 546 8.019 8.019 8.240 -0.221 19383 4704 1 17 . 1 1 547 547 LEU N N 547 121.469 121.469 113.934 7.535 19383 4705 1 17 . 1 1 547 547 LEU HA H 547 4.147 4.147 4.368 -0.221 19383 4706 1 17 . 1 1 547 547 LEU C C 547 176.730 176.730 176.058 0.672 19383 4707 1 17 . 1 1 547 547 LEU CA C 547 55.851 55.851 56.155 -0.304 19383 4708 1 17 . 1 1 547 547 LEU CB C 547 42.514 42.514 41.904 0.610 19383 4709 1 17 . 1 1 547 547 LEU H H 547 7.892 7.892 7.550 0.342 19383 4710 1 17 . 1 1 548 548 MET N N 548 116.092 116.092 119.422 -3.330 19383 4711 1 17 . 1 1 548 548 MET HA H 548 4.218 4.218 4.428 -0.210 19383 4712 1 17 . 1 1 548 548 MET C C 548 177.832 177.832 176.876 0.956 19383 4713 1 17 . 1 1 548 548 MET CA C 548 55.861 55.861 55.260 0.601 19383 4714 1 17 . 1 1 548 548 MET CB C 548 32.338 32.338 32.715 -0.377 19383 4715 1 17 . 1 1 548 548 MET H H 548 7.995 7.995 8.166 -0.171 19383 4716 1 17 . 1 1 549 549 HIS N N 549 116.959 116.959 115.818 1.141 19383 4717 1 17 . 1 1 549 549 HIS HA H 549 4.577 4.577 4.549 0.028 19383 4718 1 17 . 1 1 549 549 HIS C C 549 179.852 179.852 174.945 4.907 19383 4719 1 17 . 1 1 549 549 HIS CA C 549 55.656 55.656 57.251 -1.595 19383 4720 1 17 . 1 1 549 549 HIS CB C 549 28.847 28.847 28.689 0.158 19383 4721 1 17 . 1 1 549 549 HIS H H 549 8.074 8.074 7.976 0.098 19383 4722 1 17 . 1 1 550 550 ASN N N 550 118.599 118.599 117.683 0.916 19383 4723 1 17 . 1 1 550 550 ASN HA H 550 4.611 4.611 4.643 -0.032 19383 4724 1 17 . 1 1 550 550 ASN C C 550 178.753 178.753 175.284 3.469 19383 4725 1 17 . 1 1 550 550 ASN CA C 550 53.651 53.651 53.917 -0.266 19383 4726 1 17 . 1 1 550 550 ASN CB C 550 38.884 38.884 39.800 -0.916 19383 4727 1 17 . 1 1 550 550 ASN H H 550 8.235 8.235 7.720 0.515 19383 4728 1 17 . 1 1 551 551 GLN N N 551 119.902 119.902 119.714 0.188 19383 4729 1 17 . 1 1 551 551 GLN HA H 551 4.203 4.203 4.201 0.002 19383 4730 1 17 . 1 1 551 551 GLN C C 551 178.390 178.390 175.318 3.072 19383 4731 1 17 . 1 1 551 551 GLN CA C 551 56.276 56.276 55.731 0.545 19383 4732 1 17 . 1 1 551 551 GLN CB C 551 28.931 28.931 26.799 2.132 19383 4733 1 17 . 1 1 551 551 GLN H H 551 8.359 8.359 7.503 0.856 19383 4734 1 17 . 1 1 552 552 ASP N N 552 119.524 119.524 117.790 1.734 19383 4735 1 17 . 1 1 552 552 ASP HA H 552 4.448 4.448 4.871 -0.423 19383 4736 1 17 . 1 1 552 552 ASP C C 552 177.522 177.522 177.369 0.153 19383 4737 1 17 . 1 1 552 552 ASP CA C 552 54.856 54.856 52.718 2.138 19383 4738 1 17 . 1 1 552 552 ASP CB C 552 40.814 40.814 40.704 0.110 19383 4739 1 17 . 1 1 552 552 ASP H H 552 8.190 8.190 8.760 -0.570 19383 4740 1 17 . 1 1 553 553 GLY N N 553 108.043 108.043 107.744 0.299 19383 4741 1 17 . 1 1 553 553 GLY C C 553 179.757 179.757 175.435 4.322 19383 4742 1 17 . 1 1 553 553 GLY CA C 553 45.626 45.626 45.523 0.103 19383 4743 1 17 . 1 1 553 553 GLY H H 553 8.130 8.130 8.021 0.109 19383 4744 1 17 . 1 1 554 554 LEU N N 554 121.485 121.485 122.077 -0.592 19383 4745 1 17 . 1 1 554 554 LEU HA H 554 4.168 4.168 4.120 0.048 19383 4746 1 17 . 1 1 554 554 LEU C C 554 176.732 176.732 178.152 -1.420 19383 4747 1 17 . 1 1 554 554 LEU CA C 554 56.145 56.145 57.904 -1.759 19383 4748 1 17 . 1 1 554 554 LEU CB C 554 42.513 42.513 42.049 0.464 19383 4749 1 17 . 1 1 554 554 LEU H H 554 8.081 8.081 8.144 -0.063 19383 4750 1 17 . 1 1 555 555 ILE N N 555 117.390 117.390 118.645 -1.255 19383 4751 1 17 . 1 1 555 555 ILE HA H 555 3.954 3.954 4.112 -0.158 19383 4752 1 17 . 1 1 555 555 ILE C C 555 178.242 178.242 176.497 1.745 19383 4753 1 17 . 1 1 555 555 ILE CA C 555 61.929 61.929 58.560 3.369 19383 4754 1 17 . 1 1 555 555 ILE CB C 555 38.317 38.317 34.587 3.730 19383 4755 1 17 . 1 1 555 555 ILE H H 555 7.976 7.976 7.740 0.236 19383 4756 1 17 . 1 1 556 556 CYS N N 556 119.495 119.495 123.649 -4.154 19383 4757 1 17 . 1 1 556 556 CYS HA H 556 4.411 4.411 4.046 0.365 19383 4758 1 17 . 1 1 556 556 CYS C C 556 178.872 178.872 176.913 1.959 19383 4759 1 17 . 1 1 556 556 CYS CA C 556 56.233 56.233 62.566 -6.333 19383 4760 1 17 . 1 1 556 556 CYS CB C 556 41.438 41.438 26.713 14.725 19383 4761 1 17 . 1 1 556 556 CYS H H 556 8.214 8.214 8.373 -0.159 19383 4762 1 17 . 1 1 557 557 GLY N N 557 108.419 108.419 107.908 0.511 19383 4763 1 17 . 1 1 557 557 GLY C C 557 180.393 180.393 176.169 4.224 19383 4764 1 17 . 1 1 557 557 GLY CA C 557 45.701 45.701 47.238 -1.537 19383 4765 1 17 . 1 1 557 557 GLY H H 557 8.141 8.141 8.553 -0.412 19383 4766 1 17 . 1 1 558 558 LEU N N 558 120.318 120.318 118.349 1.969 19383 4767 1 17 . 1 1 558 558 LEU HA H 558 4.237 4.237 4.037 0.200 19383 4768 1 17 . 1 1 558 558 LEU C C 558 177.398 177.398 177.177 0.221 19383 4769 1 17 . 1 1 558 558 LEU CA C 558 55.730 55.730 56.594 -0.864 19383 4770 1 17 . 1 1 558 558 LEU CB C 558 42.585 42.585 41.882 0.703 19383 4771 1 17 . 1 1 558 558 LEU H H 558 7.837 7.837 7.806 0.031 19383 4772 1 17 . 1 1 559 559 ARG N N 559 119.828 119.828 116.783 3.045 19383 4773 1 17 . 1 1 559 559 ARG HA H 559 4.245 4.245 3.934 0.311 19383 4774 1 17 . 1 1 559 559 ARG C C 559 179.052 179.052 175.994 3.058 19383 4775 1 17 . 1 1 559 559 ARG CA C 559 55.773 55.773 57.141 -1.368 19383 4776 1 17 . 1 1 559 559 ARG CB C 559 31.191 31.191 29.327 1.864 19383 4777 1 17 . 1 1 559 559 ARG H H 559 8.007 8.007 7.710 0.297 19383 4778 1 18 . 1 1 508 508 GLN N N 508 120.721 120.721 122.885 -2.164 19383 4779 1 18 . 1 1 508 508 GLN HA H 508 4.607 4.607 4.673 -0.066 19383 4780 1 18 . 1 1 508 508 GLN CA C 508 53.627 53.627 54.346 -0.719 19383 4781 1 18 . 1 1 508 508 GLN CB C 508 28.849 28.849 29.364 -0.515 19383 4782 1 18 . 1 1 508 508 GLN H H 508 8.575 8.575 8.438 0.137 19383 4783 1 18 . 1 1 509 509 PRO HA H 509 4.329 4.329 4.607 -0.278 19383 4784 1 18 . 1 1 509 509 PRO C C 509 177.740 177.740 176.888 0.852 19383 4785 1 18 . 1 1 509 509 PRO CA C 509 63.094 63.094 63.175 -0.081 19383 4786 1 18 . 1 1 509 509 PRO CB C 509 32.083 32.083 32.317 -0.234 19383 4787 1 18 . 1 1 510 510 LYS N N 510 121.228 121.228 115.282 5.946 19383 4788 1 18 . 1 1 510 510 LYS HA H 510 4.233 4.233 4.015 0.218 19383 4789 1 18 . 1 1 510 510 LYS C C 510 177.951 177.951 175.299 2.652 19383 4790 1 18 . 1 1 510 510 LYS CA C 510 55.910 55.910 57.335 -1.425 19383 4791 1 18 . 1 1 510 510 LYS CB C 510 32.985 32.985 30.832 2.152 19383 4792 1 18 . 1 1 510 510 LYS H H 510 8.330 8.330 8.316 0.014 19383 4793 1 18 . 1 1 511 511 CYS N N 511 119.374 119.374 118.157 1.217 19383 4794 1 18 . 1 1 511 511 CYS HA H 511 4.562 4.562 4.315 0.247 19383 4795 1 18 . 1 1 511 511 CYS C C 511 180.885 180.885 175.253 5.632 19383 4796 1 18 . 1 1 511 511 CYS CA C 511 55.085 55.085 60.021 -4.936 19383 4797 1 18 . 1 1 511 511 CYS CB C 511 41.809 41.809 25.576 16.233 19383 4798 1 18 . 1 1 511 511 CYS H H 511 8.284 8.284 8.258 0.026 19383 4799 1 18 . 1 1 512 512 ASN N N 512 122.292 122.292 120.487 1.805 19383 4800 1 18 . 1 1 512 512 ASN HA H 512 4.898 4.898 5.018 -0.120 19383 4801 1 18 . 1 1 512 512 ASN CA C 512 50.921 50.921 51.196 -0.275 19383 4802 1 18 . 1 1 512 512 ASN CB C 512 39.105 39.105 40.434 -1.329 19383 4803 1 18 . 1 1 512 512 ASN H H 512 8.614 8.614 8.491 0.123 19383 4804 1 18 . 1 1 513 513 PRO HA H 513 4.294 4.294 4.922 -0.628 19383 4805 1 18 . 1 1 513 513 PRO C C 513 177.920 177.920 176.115 1.805 19383 4806 1 18 . 1 1 513 513 PRO CA C 513 63.373 63.373 62.712 0.662 19383 4807 1 18 . 1 1 513 513 PRO CB C 513 31.880 31.880 31.285 0.595 19383 4808 1 18 . 1 1 514 514 ASN N N 514 117.476 117.476 117.274 0.202 19383 4809 1 18 . 1 1 514 514 ASN HA H 514 4.557 4.557 4.701 -0.144 19383 4810 1 18 . 1 1 514 514 ASN C C 514 179.369 179.369 175.662 3.707 19383 4811 1 18 . 1 1 514 514 ASN CA C 514 53.454 53.454 53.779 -0.325 19383 4812 1 18 . 1 1 514 514 ASN CB C 514 38.954 38.954 39.118 -0.164 19383 4813 1 18 . 1 1 514 514 ASN H H 514 8.285 8.285 8.169 0.116 19383 4814 1 18 . 1 1 515 515 LEU N N 515 121.054 121.054 122.474 -1.420 19383 4815 1 18 . 1 1 515 515 LEU HA H 515 4.154 4.154 4.484 -0.330 19383 4816 1 18 . 1 1 515 515 LEU C C 515 177.719 177.719 175.983 1.736 19383 4817 1 18 . 1 1 515 515 LEU CA C 515 55.268 55.268 54.251 1.018 19383 4818 1 18 . 1 1 515 515 LEU CB C 515 42.079 42.079 40.656 1.423 19383 4819 1 18 . 1 1 515 515 LEU H H 515 7.770 7.770 7.616 0.154 19383 4820 1 18 . 1 1 516 516 HIS N N 516 117.461 117.461 120.937 -3.476 19383 4821 1 18 . 1 1 516 516 HIS HA H 516 4.451 4.451 4.303 0.148 19383 4822 1 18 . 1 1 516 516 HIS C C 516 179.871 179.871 175.501 4.370 19383 4823 1 18 . 1 1 516 516 HIS CA C 516 55.414 55.414 57.656 -2.242 19383 4824 1 18 . 1 1 516 516 HIS CB C 516 28.867 28.867 30.234 -1.367 19383 4825 1 18 . 1 1 516 516 HIS H H 516 8.126 8.126 7.636 0.490 19383 4826 1 18 . 1 1 517 517 TYR N N 517 120.302 120.302 118.648 1.654 19383 4827 1 18 . 1 1 517 517 TYR HA H 517 4.222 4.222 4.334 -0.112 19383 4828 1 18 . 1 1 517 517 TYR C C 517 178.883 178.883 176.334 2.549 19383 4829 1 18 . 1 1 517 517 TYR CA C 517 59.410 59.410 59.797 -0.387 19383 4830 1 18 . 1 1 517 517 TYR CB C 517 38.843 38.843 37.984 0.859 19383 4831 1 18 . 1 1 517 517 TYR H H 517 8.101 8.101 7.899 0.202 19383 4832 1 18 . 1 1 518 518 TRP N N 518 118.660 118.660 117.626 1.034 19383 4833 1 18 . 1 1 518 518 TRP HA H 518 4.569 4.569 4.924 -0.355 19383 4834 1 18 . 1 1 518 518 TRP C C 518 178.468 178.468 177.347 1.121 19383 4835 1 18 . 1 1 518 518 TRP CA C 518 57.501 57.501 57.718 -0.216 19383 4836 1 18 . 1 1 518 518 TRP CB C 518 29.619 29.619 30.891 -1.272 19383 4837 1 18 . 1 1 518 518 TRP H H 518 7.665 7.665 8.166 -0.501 19383 4838 1 18 . 1 1 519 519 THR N N 519 112.373 112.373 111.937 0.436 19383 4839 1 18 . 1 1 519 519 THR HA H 519 4.351 4.351 3.772 0.579 19383 4840 1 18 . 1 1 519 519 THR C C 519 179.594 179.594 174.939 4.655 19383 4841 1 18 . 1 1 519 519 THR CA C 519 61.654 61.654 65.390 -3.736 19383 4842 1 18 . 1 1 519 519 THR CB C 519 69.859 69.859 67.367 2.492 19383 4843 1 18 . 1 1 519 519 THR H H 519 7.894 7.894 7.996 -0.102 19383 4844 1 18 . 1 1 520 520 THR N N 520 114.438 114.438 117.848 -3.410 19383 4845 1 18 . 1 1 520 520 THR HA H 520 4.256 4.256 4.296 -0.040 19383 4846 1 18 . 1 1 520 520 THR C C 520 179.419 179.419 176.126 3.293 19383 4847 1 18 . 1 1 520 520 THR CA C 520 62.019 62.019 63.691 -1.672 19383 4848 1 18 . 1 1 520 520 THR CB C 520 69.709 69.709 68.745 0.964 19383 4849 1 18 . 1 1 520 520 THR H H 520 7.957 7.957 8.549 -0.592 19383 4850 1 18 . 1 1 521 521 GLN N N 521 121.453 121.453 121.892 -0.439 19383 4851 1 18 . 1 1 521 521 GLN HA H 521 4.175 4.175 4.161 0.014 19383 4852 1 18 . 1 1 521 521 GLN C C 521 178.345 178.345 176.840 1.505 19383 4853 1 18 . 1 1 521 521 GLN CA C 521 56.302 56.302 58.993 -2.691 19383 4854 1 18 . 1 1 521 521 GLN CB C 521 29.118 29.118 29.007 0.111 19383 4855 1 18 . 1 1 521 521 GLN H H 521 8.224 8.224 8.427 -0.203 19383 4856 1 18 . 1 1 522 522 ASP N N 522 120.227 120.227 117.455 2.772 19383 4857 1 18 . 1 1 522 522 ASP HA H 522 4.461 4.461 4.707 -0.246 19383 4858 1 18 . 1 1 522 522 ASP C C 522 177.838 177.838 177.286 0.552 19383 4859 1 18 . 1 1 522 522 ASP CA C 522 54.741 54.741 54.602 0.140 19383 4860 1 18 . 1 1 522 522 ASP CB C 522 40.847 40.847 40.814 0.033 19383 4861 1 18 . 1 1 522 522 ASP H H 522 8.155 8.155 7.809 0.346 19383 4862 1 18 . 1 1 523 523 GLU N N 523 120.511 120.511 119.347 1.164 19383 4863 1 18 . 1 1 523 523 GLU HA H 523 4.102 4.102 4.189 -0.087 19383 4864 1 18 . 1 1 523 523 GLU C C 523 177.165 177.165 177.315 -0.150 19383 4865 1 18 . 1 1 523 523 GLU CA C 523 57.161 57.161 58.102 -0.941 19383 4866 1 18 . 1 1 523 523 GLU CB C 523 29.153 29.153 29.297 -0.144 19383 4867 1 18 . 1 1 523 523 GLU H H 523 8.250 8.250 7.823 0.427 19383 4868 1 18 . 1 1 524 524 GLY N N 524 108.395 108.395 105.206 3.189 19383 4869 1 18 . 1 1 524 524 GLY C C 524 179.999 179.999 173.618 6.381 19383 4870 1 18 . 1 1 524 524 GLY CA C 524 45.791 45.791 44.675 1.116 19383 4871 1 18 . 1 1 524 524 GLY H H 524 8.308 8.308 7.720 0.588 19383 4872 1 18 . 1 1 525 525 ALA N N 525 123.026 123.026 123.715 -0.689 19383 4873 1 18 . 1 1 525 525 ALA HA H 525 4.139 4.139 4.350 -0.211 19383 4874 1 18 . 1 1 525 525 ALA C C 525 176.642 176.642 177.260 -0.618 19383 4875 1 18 . 1 1 525 525 ALA CA C 525 52.706 52.706 52.735 -0.029 19383 4876 1 18 . 1 1 525 525 ALA CB C 525 19.148 19.148 20.239 -1.091 19383 4877 1 18 . 1 1 525 525 ALA H H 525 7.884 7.884 7.780 0.104 19383 4878 1 18 . 1 1 526 526 ALA N N 526 121.593 121.593 121.926 -0.333 19383 4879 1 18 . 1 1 526 526 ALA HA H 526 4.164 4.164 4.691 -0.527 19383 4880 1 18 . 1 1 526 526 ALA C C 526 176.320 176.320 176.660 -0.340 19383 4881 1 18 . 1 1 526 526 ALA CA C 526 52.788 52.788 52.194 0.594 19383 4882 1 18 . 1 1 526 526 ALA CB C 526 19.055 19.055 19.909 -0.854 19383 4883 1 18 . 1 1 526 526 ALA H H 526 8.027 8.027 7.859 0.168 19383 4884 1 18 . 1 1 527 527 ILE N N 527 117.907 117.907 113.870 4.037 19383 4885 1 18 . 1 1 527 527 ILE HA H 527 3.874 3.874 4.140 -0.266 19383 4886 1 18 . 1 1 527 527 ILE C C 527 177.983 177.983 177.223 0.760 19383 4887 1 18 . 1 1 527 527 ILE CA C 527 61.894 61.894 60.347 1.547 19383 4888 1 18 . 1 1 527 527 ILE CB C 527 38.485 38.485 37.497 0.988 19383 4889 1 18 . 1 1 527 527 ILE H H 527 7.913 7.913 7.676 0.237 19383 4890 1 18 . 1 1 528 528 GLY N N 528 109.328 109.328 108.986 0.342 19383 4891 1 18 . 1 1 528 528 GLY C C 528 180.040 180.040 175.407 4.633 19383 4892 1 18 . 1 1 528 528 GLY CA C 528 45.877 45.877 47.060 -1.183 19383 4893 1 18 . 1 1 528 528 GLY H H 528 8.045 8.045 8.571 -0.526 19383 4894 1 18 . 1 1 529 529 LEU N N 529 119.297 119.297 115.575 3.722 19383 4895 1 18 . 1 1 529 529 LEU HA H 529 4.076 4.076 4.773 -0.697 19383 4896 1 18 . 1 1 529 529 LEU C C 529 177.413 177.413 177.284 0.129 19383 4897 1 18 . 1 1 529 529 LEU CA C 529 55.759 55.759 55.578 0.181 19383 4898 1 18 . 1 1 529 529 LEU CB C 529 42.321 42.321 42.347 -0.026 19383 4899 1 18 . 1 1 529 529 LEU H H 529 8.083 8.083 7.427 0.656 19383 4900 1 18 . 1 1 530 530 ALA N N 530 120.355 120.355 119.434 0.921 19383 4901 1 18 . 1 1 530 530 ALA HA H 530 4.035 4.035 4.661 -0.626 19383 4902 1 18 . 1 1 530 530 ALA C C 530 177.142 177.142 178.786 -1.644 19383 4903 1 18 . 1 1 530 530 ALA CA C 530 53.814 53.814 51.833 1.981 19383 4904 1 18 . 1 1 530 530 ALA CB C 530 18.780 18.780 19.642 -0.862 19383 4905 1 18 . 1 1 530 530 ALA H H 530 8.015 8.015 7.324 0.691 19383 4906 1 18 . 1 1 531 531 TRP N N 531 114.575 114.575 123.540 -8.965 19383 4907 1 18 . 1 1 531 531 TRP HA H 531 4.589 4.589 4.620 -0.031 19383 4908 1 18 . 1 1 531 531 TRP C C 531 177.968 177.968 174.964 3.004 19383 4909 1 18 . 1 1 531 531 TRP CA C 531 56.378 56.378 58.066 -1.688 19383 4910 1 18 . 1 1 531 531 TRP CB C 531 29.409 29.409 28.686 0.723 19383 4911 1 18 . 1 1 531 531 TRP H H 531 7.398 7.398 8.403 -1.005 19383 4912 1 18 . 1 1 532 532 ILE N N 532 121.501 121.501 112.843 8.658 19383 4913 1 18 . 1 1 532 532 ILE HA H 532 3.768 3.768 4.463 -0.695 19383 4914 1 18 . 1 1 532 532 ILE CA C 532 63.813 63.813 57.758 6.055 19383 4915 1 18 . 1 1 532 532 ILE H H 532 7.197 7.197 7.641 -0.444 19383 4916 1 18 . 1 1 533 533 PRO HA H 533 4.169 4.169 4.268 -0.099 19383 4917 1 18 . 1 1 533 533 PRO CA C 533 64.431 64.431 63.712 0.719 19383 4918 1 18 . 1 1 533 533 PRO CB C 533 32.238 32.238 30.656 1.582 19383 4919 1 18 . 1 1 534 534 TYR HA H 534 4.086 4.086 4.431 -0.345 19383 4920 1 18 . 1 1 534 534 TYR CA C 534 60.819 60.819 59.641 1.178 19383 4921 1 18 . 1 1 534 534 TYR CB C 534 38.437 38.437 39.106 -0.669 19383 4922 1 18 . 1 1 534 534 TYR H H 534 8.066 8.066 8.037 0.029 19383 4923 1 18 . 1 1 535 535 PHE HA H 535 4.316 4.316 4.314 0.002 19383 4924 1 18 . 1 1 535 535 PHE C C 535 175.669 175.669 176.620 -0.951 19383 4925 1 18 . 1 1 535 535 PHE CA C 535 58.885 58.885 59.973 -1.088 19383 4926 1 18 . 1 1 535 535 PHE CB C 535 40.304 40.304 39.152 1.152 19383 4927 1 18 . 1 1 535 535 PHE H H 535 8.123 8.123 8.457 -0.334 19383 4928 1 18 . 1 1 536 536 GLY N N 536 107.103 107.103 105.263 1.840 19383 4929 1 18 . 1 1 536 536 GLY CA C 536 46.510 46.510 44.791 1.719 19383 4930 1 18 . 1 1 536 536 GLY H H 536 8.031 8.031 7.966 0.065 19383 4931 1 18 . 1 1 537 537 PRO HA H 537 4.210 4.210 4.683 -0.473 19383 4932 1 18 . 1 1 537 537 PRO C C 537 175.183 175.183 176.499 -1.316 19383 4933 1 18 . 1 1 537 537 PRO CA C 537 64.563 64.563 62.065 2.498 19383 4934 1 18 . 1 1 537 537 PRO CB C 537 31.618 31.618 31.950 -0.332 19383 4935 1 18 . 1 1 538 538 ALA N N 538 120.228 120.228 121.468 -1.240 19383 4936 1 18 . 1 1 538 538 ALA HA H 538 4.095 4.095 4.042 0.053 19383 4937 1 18 . 1 1 538 538 ALA C C 538 175.268 175.268 178.743 -3.475 19383 4938 1 18 . 1 1 538 538 ALA CA C 538 54.373 54.373 54.302 0.071 19383 4939 1 18 . 1 1 538 538 ALA CB C 538 18.694 18.694 18.458 0.236 19383 4940 1 18 . 1 1 538 538 ALA H H 538 7.799 7.799 8.214 -0.415 19383 4941 1 18 . 1 1 539 539 ALA N N 539 120.412 120.412 119.352 1.060 19383 4942 1 18 . 1 1 539 539 ALA HA H 539 3.883 3.883 4.063 -0.180 19383 4943 1 18 . 1 1 539 539 ALA C C 539 175.516 175.516 179.691 -4.175 19383 4944 1 18 . 1 1 539 539 ALA CA C 539 54.526 54.526 54.624 -0.098 19383 4945 1 18 . 1 1 539 539 ALA CB C 539 18.780 18.780 17.034 1.746 19383 4946 1 18 . 1 1 539 539 ALA H H 539 8.208 8.208 8.365 -0.157 19383 4947 1 18 . 1 1 540 540 GLU N N 540 116.209 116.209 120.338 -4.129 19383 4948 1 18 . 1 1 540 540 GLU HA H 540 3.933 3.933 4.108 -0.175 19383 4949 1 18 . 1 1 540 540 GLU C C 540 176.525 176.525 177.061 -0.536 19383 4950 1 18 . 1 1 540 540 GLU CA C 540 58.522 58.522 58.964 -0.442 19383 4951 1 18 . 1 1 540 540 GLU CB C 540 28.907 28.907 29.532 -0.625 19383 4952 1 18 . 1 1 540 540 GLU H H 540 8.162 8.162 8.808 -0.646 19383 4953 1 18 . 1 1 541 541 GLY N N 541 107.297 107.297 104.904 2.393 19383 4954 1 18 . 1 1 541 541 GLY C C 541 178.784 178.784 175.112 3.672 19383 4955 1 18 . 1 1 541 541 GLY CA C 541 45.692 45.692 45.173 0.519 19383 4956 1 18 . 1 1 541 541 GLY H H 541 8.033 8.033 8.107 -0.075 19383 4957 1 18 . 1 1 542 542 ILE N N 542 121.066 121.066 117.639 3.427 19383 4958 1 18 . 1 1 542 542 ILE HA H 542 3.765 3.765 3.902 -0.137 19383 4959 1 18 . 1 1 542 542 ILE C C 542 176.804 176.804 175.468 1.336 19383 4960 1 18 . 1 1 542 542 ILE CA C 542 63.871 63.871 62.211 1.660 19383 4961 1 18 . 1 1 542 542 ILE CB C 542 38.075 38.075 37.426 0.649 19383 4962 1 18 . 1 1 542 542 ILE H H 542 7.870 7.870 7.885 -0.015 19383 4963 1 18 . 1 1 543 543 TYR N N 543 120.347 120.347 118.955 1.392 19383 4964 1 18 . 1 1 543 543 TYR HA H 543 4.144 4.144 4.510 -0.366 19383 4965 1 18 . 1 1 543 543 TYR C C 543 179.780 179.780 175.692 4.088 19383 4966 1 18 . 1 1 543 543 TYR CA C 543 60.629 60.629 58.422 2.207 19383 4967 1 18 . 1 1 543 543 TYR CB C 543 38.425 38.425 39.915 -1.490 19383 4968 1 18 . 1 1 543 543 TYR H H 543 8.066 8.066 8.069 -0.003 19383 4969 1 18 . 1 1 544 544 ALA N N 544 119.787 119.787 121.756 -1.969 19383 4970 1 18 . 1 1 544 544 ALA HA H 544 3.926 3.926 4.338 -0.412 19383 4971 1 18 . 1 1 544 544 ALA C C 544 175.014 175.014 177.234 -2.220 19383 4972 1 18 . 1 1 544 544 ALA CA C 544 54.262 54.262 53.005 1.257 19383 4973 1 18 . 1 1 544 544 ALA CB C 544 18.991 18.991 20.221 -1.230 19383 4974 1 18 . 1 1 544 544 ALA H H 544 7.910 7.910 7.923 -0.013 19383 4975 1 18 . 1 1 545 545 GLU N N 545 115.906 115.906 118.250 -2.344 19383 4976 1 18 . 1 1 545 545 GLU HA H 545 4.056 4.056 4.396 -0.340 19383 4977 1 18 . 1 1 545 545 GLU C C 545 176.541 176.541 178.098 -1.557 19383 4978 1 18 . 1 1 545 545 GLU CA C 545 56.978 56.978 56.183 0.795 19383 4979 1 18 . 1 1 545 545 GLU CB C 545 29.625 29.625 32.198 -2.573 19383 4980 1 18 . 1 1 545 545 GLU H H 545 7.866 7.866 8.066 -0.200 19383 4981 1 18 . 1 1 546 546 GLY N N 546 107.293 107.293 109.170 -1.877 19383 4982 1 18 . 1 1 546 546 GLY C C 546 180.358 180.358 174.297 6.061 19383 4983 1 18 . 1 1 546 546 GLY CA C 546 45.645 45.645 47.013 -1.368 19383 4984 1 18 . 1 1 546 546 GLY H H 546 8.019 8.019 8.511 -0.492 19383 4985 1 18 . 1 1 547 547 LEU N N 547 121.469 121.469 114.419 7.050 19383 4986 1 18 . 1 1 547 547 LEU HA H 547 4.147 4.147 4.495 -0.348 19383 4987 1 18 . 1 1 547 547 LEU C C 547 176.730 176.730 175.986 0.744 19383 4988 1 18 . 1 1 547 547 LEU CA C 547 55.851 55.851 56.376 -0.525 19383 4989 1 18 . 1 1 547 547 LEU CB C 547 42.514 42.514 41.703 0.811 19383 4990 1 18 . 1 1 547 547 LEU H H 547 7.892 7.892 7.750 0.142 19383 4991 1 18 . 1 1 548 548 MET N N 548 116.092 116.092 119.272 -3.180 19383 4992 1 18 . 1 1 548 548 MET HA H 548 4.218 4.218 4.513 -0.295 19383 4993 1 18 . 1 1 548 548 MET C C 548 177.832 177.832 176.998 0.834 19383 4994 1 18 . 1 1 548 548 MET CA C 548 55.861 55.861 55.614 0.247 19383 4995 1 18 . 1 1 548 548 MET CB C 548 32.338 32.338 32.775 -0.437 19383 4996 1 18 . 1 1 548 548 MET H H 548 7.995 7.995 8.383 -0.388 19383 4997 1 18 . 1 1 549 549 HIS N N 549 116.959 116.959 116.070 0.889 19383 4998 1 18 . 1 1 549 549 HIS HA H 549 4.577 4.577 4.765 -0.188 19383 4999 1 18 . 1 1 549 549 HIS C C 549 179.852 179.852 175.436 4.416 19383 5000 1 18 . 1 1 549 549 HIS CA C 549 55.656 55.656 57.351 -1.695 19383 5001 1 18 . 1 1 549 549 HIS CB C 549 28.847 28.847 28.485 0.362 19383 5002 1 18 . 1 1 549 549 HIS H H 549 8.074 8.074 8.457 -0.383 19383 5003 1 18 . 1 1 550 550 ASN N N 550 118.599 118.599 116.263 2.336 19383 5004 1 18 . 1 1 550 550 ASN HA H 550 4.611 4.611 4.698 -0.087 19383 5005 1 18 . 1 1 550 550 ASN C C 550 178.753 178.753 174.779 3.974 19383 5006 1 18 . 1 1 550 550 ASN CA C 550 53.651 53.651 54.745 -1.094 19383 5007 1 18 . 1 1 550 550 ASN CB C 550 38.884 38.884 39.811 -0.927 19383 5008 1 18 . 1 1 550 550 ASN H H 550 8.235 8.235 7.608 0.627 19383 5009 1 18 . 1 1 551 551 GLN N N 551 119.902 119.902 118.805 1.097 19383 5010 1 18 . 1 1 551 551 GLN HA H 551 4.203 4.203 4.097 0.106 19383 5011 1 18 . 1 1 551 551 GLN C C 551 178.390 178.390 175.404 2.986 19383 5012 1 18 . 1 1 551 551 GLN CA C 551 56.276 56.276 56.010 0.266 19383 5013 1 18 . 1 1 551 551 GLN CB C 551 28.931 28.931 26.694 2.237 19383 5014 1 18 . 1 1 551 551 GLN H H 551 8.359 8.359 8.167 0.192 19383 5015 1 18 . 1 1 552 552 ASP N N 552 119.524 119.524 117.907 1.617 19383 5016 1 18 . 1 1 552 552 ASP HA H 552 4.448 4.448 4.782 -0.334 19383 5017 1 18 . 1 1 552 552 ASP C C 552 177.522 177.522 177.301 0.221 19383 5018 1 18 . 1 1 552 552 ASP CA C 552 54.856 54.856 52.295 2.561 19383 5019 1 18 . 1 1 552 552 ASP CB C 552 40.814 40.814 40.423 0.390 19383 5020 1 18 . 1 1 552 552 ASP H H 552 8.190 8.190 8.597 -0.407 19383 5021 1 18 . 1 1 553 553 GLY N N 553 108.043 108.043 107.171 0.872 19383 5022 1 18 . 1 1 553 553 GLY C C 553 179.757 179.757 175.413 4.344 19383 5023 1 18 . 1 1 553 553 GLY CA C 553 45.626 45.626 45.412 0.214 19383 5024 1 18 . 1 1 553 553 GLY H H 553 8.130 8.130 8.024 0.106 19383 5025 1 18 . 1 1 554 554 LEU N N 554 121.485 121.485 121.872 -0.387 19383 5026 1 18 . 1 1 554 554 LEU HA H 554 4.168 4.168 4.099 0.069 19383 5027 1 18 . 1 1 554 554 LEU C C 554 176.732 176.732 177.990 -1.258 19383 5028 1 18 . 1 1 554 554 LEU CA C 554 56.145 56.145 57.821 -1.676 19383 5029 1 18 . 1 1 554 554 LEU CB C 554 42.513 42.513 42.005 0.508 19383 5030 1 18 . 1 1 554 554 LEU H H 554 8.081 8.081 7.315 0.766 19383 5031 1 18 . 1 1 555 555 ILE N N 555 117.390 117.390 118.773 -1.383 19383 5032 1 18 . 1 1 555 555 ILE HA H 555 3.954 3.954 4.054 -0.100 19383 5033 1 18 . 1 1 555 555 ILE C C 555 178.242 178.242 176.475 1.767 19383 5034 1 18 . 1 1 555 555 ILE CA C 555 61.929 61.929 59.248 2.681 19383 5035 1 18 . 1 1 555 555 ILE CB C 555 38.317 38.317 34.617 3.700 19383 5036 1 18 . 1 1 555 555 ILE H H 555 7.976 7.976 7.730 0.246 19383 5037 1 18 . 1 1 556 556 CYS N N 556 119.495 119.495 123.047 -3.552 19383 5038 1 18 . 1 1 556 556 CYS HA H 556 4.411 4.411 4.212 0.199 19383 5039 1 18 . 1 1 556 556 CYS C C 556 178.872 178.872 176.805 2.067 19383 5040 1 18 . 1 1 556 556 CYS CA C 556 56.233 56.233 61.224 -4.991 19383 5041 1 18 . 1 1 556 556 CYS CB C 556 41.438 41.438 26.231 15.207 19383 5042 1 18 . 1 1 556 556 CYS H H 556 8.214 8.214 8.396 -0.182 19383 5043 1 18 . 1 1 557 557 GLY N N 557 108.419 108.419 108.495 -0.076 19383 5044 1 18 . 1 1 557 557 GLY C C 557 180.393 180.393 175.853 4.540 19383 5045 1 18 . 1 1 557 557 GLY CA C 557 45.701 45.701 46.672 -0.971 19383 5046 1 18 . 1 1 557 557 GLY H H 557 8.141 8.141 8.557 -0.416 19383 5047 1 18 . 1 1 558 558 LEU N N 558 120.318 120.318 119.276 1.042 19383 5048 1 18 . 1 1 558 558 LEU HA H 558 4.237 4.237 4.347 -0.110 19383 5049 1 18 . 1 1 558 558 LEU C C 558 177.398 177.398 176.257 1.141 19383 5050 1 18 . 1 1 558 558 LEU CA C 558 55.730 55.730 54.621 1.109 19383 5051 1 18 . 1 1 558 558 LEU CB C 558 42.585 42.585 40.062 2.523 19383 5052 1 18 . 1 1 558 558 LEU H H 558 7.837 7.837 7.348 0.489 19383 5053 1 18 . 1 1 559 559 ARG N N 559 119.828 119.828 119.165 0.663 19383 5054 1 18 . 1 1 559 559 ARG HA H 559 4.245 4.245 4.383 -0.138 19383 5055 1 18 . 1 1 559 559 ARG C C 559 179.052 179.052 175.413 3.639 19383 5056 1 18 . 1 1 559 559 ARG CA C 559 55.773 55.773 54.438 1.335 19383 5057 1 18 . 1 1 559 559 ARG CB C 559 31.191 31.191 30.410 0.781 19383 5058 1 18 . 1 1 559 559 ARG H H 559 8.007 8.007 7.657 0.350 19383 5059 1 19 . 1 1 508 508 GLN N N 508 120.721 120.721 119.377 1.344 19383 5060 1 19 . 1 1 508 508 GLN HA H 508 4.607 4.607 4.750 -0.143 19383 5061 1 19 . 1 1 508 508 GLN CA C 508 53.627 53.627 53.570 0.057 19383 5062 1 19 . 1 1 508 508 GLN CB C 508 28.849 28.849 29.305 -0.456 19383 5063 1 19 . 1 1 508 508 GLN H H 508 8.575 8.575 8.536 0.040 19383 5064 1 19 . 1 1 509 509 PRO HA H 509 4.329 4.329 4.279 0.050 19383 5065 1 19 . 1 1 509 509 PRO C C 509 177.740 177.740 176.619 1.121 19383 5066 1 19 . 1 1 509 509 PRO CA C 509 63.094 63.094 64.491 -1.397 19383 5067 1 19 . 1 1 509 509 PRO CB C 509 32.083 32.083 32.187 -0.104 19383 5068 1 19 . 1 1 510 510 LYS N N 510 121.228 121.228 112.714 8.514 19383 5069 1 19 . 1 1 510 510 LYS HA H 510 4.233 4.233 4.234 -0.001 19383 5070 1 19 . 1 1 510 510 LYS C C 510 177.951 177.951 174.896 3.055 19383 5071 1 19 . 1 1 510 510 LYS CA C 510 55.910 55.910 56.279 -0.369 19383 5072 1 19 . 1 1 510 510 LYS CB C 510 32.985 32.985 31.893 1.092 19383 5073 1 19 . 1 1 510 510 LYS H H 510 8.330 8.330 8.178 0.152 19383 5074 1 19 . 1 1 511 511 CYS N N 511 119.374 119.374 119.883 -0.509 19383 5075 1 19 . 1 1 511 511 CYS HA H 511 4.562 4.562 4.229 0.333 19383 5076 1 19 . 1 1 511 511 CYS C C 511 180.885 180.885 174.188 6.697 19383 5077 1 19 . 1 1 511 511 CYS CA C 511 55.085 55.085 59.475 -4.390 19383 5078 1 19 . 1 1 511 511 CYS CB C 511 41.809 41.809 25.613 16.196 19383 5079 1 19 . 1 1 511 511 CYS H H 511 8.284 8.284 8.516 -0.232 19383 5080 1 19 . 1 1 512 512 ASN N N 512 122.292 122.292 121.526 0.766 19383 5081 1 19 . 1 1 512 512 ASN HA H 512 4.898 4.898 4.994 -0.096 19383 5082 1 19 . 1 1 512 512 ASN CA C 512 50.921 50.921 50.199 0.722 19383 5083 1 19 . 1 1 512 512 ASN CB C 512 39.105 39.105 38.321 0.784 19383 5084 1 19 . 1 1 512 512 ASN H H 512 8.614 8.614 8.412 0.202 19383 5085 1 19 . 1 1 513 513 PRO HA H 513 4.294 4.294 4.353 -0.059 19383 5086 1 19 . 1 1 513 513 PRO C C 513 177.920 177.920 176.194 1.726 19383 5087 1 19 . 1 1 513 513 PRO CA C 513 63.373 63.373 64.188 -0.815 19383 5088 1 19 . 1 1 513 513 PRO CB C 513 31.880 31.880 31.575 0.305 19383 5089 1 19 . 1 1 514 514 ASN N N 514 117.476 117.476 115.550 1.926 19383 5090 1 19 . 1 1 514 514 ASN HA H 514 4.557 4.557 4.482 0.075 19383 5091 1 19 . 1 1 514 514 ASN C C 514 179.369 179.369 175.295 4.074 19383 5092 1 19 . 1 1 514 514 ASN CA C 514 53.454 53.454 53.628 -0.174 19383 5093 1 19 . 1 1 514 514 ASN CB C 514 38.954 38.954 38.822 0.132 19383 5094 1 19 . 1 1 514 514 ASN H H 514 8.285 8.285 8.103 0.182 19383 5095 1 19 . 1 1 515 515 LEU N N 515 121.054 121.054 122.450 -1.396 19383 5096 1 19 . 1 1 515 515 LEU HA H 515 4.154 4.154 4.352 -0.198 19383 5097 1 19 . 1 1 515 515 LEU C C 515 177.719 177.719 176.217 1.502 19383 5098 1 19 . 1 1 515 515 LEU CA C 515 55.268 55.268 53.886 1.382 19383 5099 1 19 . 1 1 515 515 LEU CB C 515 42.079 42.079 40.268 1.811 19383 5100 1 19 . 1 1 515 515 LEU H H 515 7.770 7.770 7.455 0.315 19383 5101 1 19 . 1 1 516 516 HIS N N 516 117.461 117.461 119.745 -2.284 19383 5102 1 19 . 1 1 516 516 HIS HA H 516 4.451 4.451 4.569 -0.118 19383 5103 1 19 . 1 1 516 516 HIS C C 516 179.871 179.871 175.864 4.007 19383 5104 1 19 . 1 1 516 516 HIS CA C 516 55.414 55.414 58.060 -2.646 19383 5105 1 19 . 1 1 516 516 HIS CB C 516 28.867 28.867 29.855 -0.988 19383 5106 1 19 . 1 1 516 516 HIS H H 516 8.126 8.126 7.499 0.627 19383 5107 1 19 . 1 1 517 517 TYR N N 517 120.302 120.302 117.564 2.738 19383 5108 1 19 . 1 1 517 517 TYR HA H 517 4.222 4.222 4.289 -0.067 19383 5109 1 19 . 1 1 517 517 TYR C C 517 178.883 178.883 176.763 2.120 19383 5110 1 19 . 1 1 517 517 TYR CA C 517 59.410 59.410 58.694 0.716 19383 5111 1 19 . 1 1 517 517 TYR CB C 517 38.843 38.843 37.857 0.986 19383 5112 1 19 . 1 1 517 517 TYR H H 517 8.101 8.101 7.847 0.254 19383 5113 1 19 . 1 1 518 518 TRP N N 518 118.660 118.660 117.705 0.955 19383 5114 1 19 . 1 1 518 518 TRP HA H 518 4.569 4.569 5.093 -0.524 19383 5115 1 19 . 1 1 518 518 TRP C C 518 178.468 178.468 176.907 1.561 19383 5116 1 19 . 1 1 518 518 TRP CA C 518 57.501 57.501 57.263 0.238 19383 5117 1 19 . 1 1 518 518 TRP CB C 518 29.619 29.619 31.250 -1.631 19383 5118 1 19 . 1 1 518 518 TRP H H 518 7.665 7.665 8.002 -0.337 19383 5119 1 19 . 1 1 519 519 THR N N 519 112.373 112.373 111.915 0.458 19383 5120 1 19 . 1 1 519 519 THR HA H 519 4.351 4.351 3.903 0.448 19383 5121 1 19 . 1 1 519 519 THR C C 519 179.594 179.594 175.324 4.270 19383 5122 1 19 . 1 1 519 519 THR CA C 519 61.654 61.654 64.885 -3.231 19383 5123 1 19 . 1 1 519 519 THR CB C 519 69.859 69.859 67.711 2.148 19383 5124 1 19 . 1 1 519 519 THR H H 519 7.894 7.894 7.990 -0.096 19383 5125 1 19 . 1 1 520 520 THR N N 520 114.438 114.438 115.953 -1.515 19383 5126 1 19 . 1 1 520 520 THR HA H 520 4.256 4.256 4.347 -0.091 19383 5127 1 19 . 1 1 520 520 THR C C 520 179.419 179.419 176.204 3.215 19383 5128 1 19 . 1 1 520 520 THR CA C 520 62.019 62.019 63.982 -1.963 19383 5129 1 19 . 1 1 520 520 THR CB C 520 69.709 69.709 68.950 0.759 19383 5130 1 19 . 1 1 520 520 THR H H 520 7.957 7.957 8.701 -0.745 19383 5131 1 19 . 1 1 521 521 GLN N N 521 121.453 121.453 121.424 0.029 19383 5132 1 19 . 1 1 521 521 GLN HA H 521 4.175 4.175 4.195 -0.020 19383 5133 1 19 . 1 1 521 521 GLN C C 521 178.345 178.345 176.757 1.588 19383 5134 1 19 . 1 1 521 521 GLN CA C 521 56.302 56.302 59.177 -2.875 19383 5135 1 19 . 1 1 521 521 GLN CB C 521 29.118 29.118 28.818 0.300 19383 5136 1 19 . 1 1 521 521 GLN H H 521 8.224 8.224 8.536 -0.312 19383 5137 1 19 . 1 1 522 522 ASP N N 522 120.227 120.227 117.763 2.464 19383 5138 1 19 . 1 1 522 522 ASP HA H 522 4.461 4.461 4.776 -0.315 19383 5139 1 19 . 1 1 522 522 ASP C C 522 177.838 177.838 177.458 0.380 19383 5140 1 19 . 1 1 522 522 ASP CA C 522 54.741 54.741 55.228 -0.487 19383 5141 1 19 . 1 1 522 522 ASP CB C 522 40.847 40.847 41.169 -0.322 19383 5142 1 19 . 1 1 522 522 ASP H H 522 8.155 8.155 7.759 0.396 19383 5143 1 19 . 1 1 523 523 GLU N N 523 120.511 120.511 119.125 1.386 19383 5144 1 19 . 1 1 523 523 GLU HA H 523 4.102 4.102 4.165 -0.063 19383 5145 1 19 . 1 1 523 523 GLU C C 523 177.165 177.165 177.373 -0.208 19383 5146 1 19 . 1 1 523 523 GLU CA C 523 57.161 57.161 57.971 -0.810 19383 5147 1 19 . 1 1 523 523 GLU CB C 523 29.153 29.153 29.391 -0.238 19383 5148 1 19 . 1 1 523 523 GLU H H 523 8.250 8.250 7.857 0.393 19383 5149 1 19 . 1 1 524 524 GLY N N 524 108.395 108.395 106.272 2.123 19383 5150 1 19 . 1 1 524 524 GLY C C 524 179.999 179.999 173.679 6.320 19383 5151 1 19 . 1 1 524 524 GLY CA C 524 45.791 45.791 44.761 1.030 19383 5152 1 19 . 1 1 524 524 GLY H H 524 8.308 8.308 7.804 0.504 19383 5153 1 19 . 1 1 525 525 ALA N N 525 123.026 123.026 123.578 -0.552 19383 5154 1 19 . 1 1 525 525 ALA HA H 525 4.139 4.139 4.399 -0.260 19383 5155 1 19 . 1 1 525 525 ALA C C 525 176.642 176.642 177.301 -0.659 19383 5156 1 19 . 1 1 525 525 ALA CA C 525 52.706 52.706 52.801 -0.095 19383 5157 1 19 . 1 1 525 525 ALA CB C 525 19.148 19.148 20.299 -1.151 19383 5158 1 19 . 1 1 525 525 ALA H H 525 7.884 7.884 7.753 0.131 19383 5159 1 19 . 1 1 526 526 ALA N N 526 121.593 121.593 122.034 -0.441 19383 5160 1 19 . 1 1 526 526 ALA HA H 526 4.164 4.164 4.747 -0.583 19383 5161 1 19 . 1 1 526 526 ALA C C 526 176.320 176.320 176.722 -0.402 19383 5162 1 19 . 1 1 526 526 ALA CA C 526 52.788 52.788 52.192 0.596 19383 5163 1 19 . 1 1 526 526 ALA CB C 526 19.055 19.055 19.956 -0.901 19383 5164 1 19 . 1 1 526 526 ALA H H 526 8.027 8.027 7.904 0.123 19383 5165 1 19 . 1 1 527 527 ILE N N 527 117.907 117.907 114.023 3.884 19383 5166 1 19 . 1 1 527 527 ILE HA H 527 3.874 3.874 4.221 -0.347 19383 5167 1 19 . 1 1 527 527 ILE C C 527 177.983 177.983 177.275 0.708 19383 5168 1 19 . 1 1 527 527 ILE CA C 527 61.894 61.894 60.466 1.428 19383 5169 1 19 . 1 1 527 527 ILE CB C 527 38.485 38.485 37.578 0.907 19383 5170 1 19 . 1 1 527 527 ILE H H 527 7.913 7.913 7.771 0.142 19383 5171 1 19 . 1 1 528 528 GLY N N 528 109.328 109.328 109.078 0.250 19383 5172 1 19 . 1 1 528 528 GLY C C 528 180.040 180.040 175.385 4.655 19383 5173 1 19 . 1 1 528 528 GLY CA C 528 45.877 45.877 47.037 -1.160 19383 5174 1 19 . 1 1 528 528 GLY H H 528 8.045 8.045 8.652 -0.607 19383 5175 1 19 . 1 1 529 529 LEU N N 529 119.297 119.297 116.775 2.522 19383 5176 1 19 . 1 1 529 529 LEU HA H 529 4.076 4.076 4.777 -0.701 19383 5177 1 19 . 1 1 529 529 LEU C C 529 177.413 177.413 177.556 -0.143 19383 5178 1 19 . 1 1 529 529 LEU CA C 529 55.759 55.759 55.839 -0.080 19383 5179 1 19 . 1 1 529 529 LEU CB C 529 42.321 42.321 42.452 -0.131 19383 5180 1 19 . 1 1 529 529 LEU H H 529 8.083 8.083 7.565 0.518 19383 5181 1 19 . 1 1 530 530 ALA N N 530 120.355 120.355 119.704 0.651 19383 5182 1 19 . 1 1 530 530 ALA HA H 530 4.035 4.035 4.532 -0.497 19383 5183 1 19 . 1 1 530 530 ALA C C 530 177.142 177.142 177.836 -0.694 19383 5184 1 19 . 1 1 530 530 ALA CA C 530 53.814 53.814 51.903 1.911 19383 5185 1 19 . 1 1 530 530 ALA CB C 530 18.780 18.780 19.188 -0.407 19383 5186 1 19 . 1 1 530 530 ALA H H 530 8.015 8.015 7.352 0.663 19383 5187 1 19 . 1 1 531 531 TRP N N 531 114.575 114.575 120.409 -5.834 19383 5188 1 19 . 1 1 531 531 TRP HA H 531 4.589 4.589 4.403 0.186 19383 5189 1 19 . 1 1 531 531 TRP C C 531 177.968 177.968 175.448 2.520 19383 5190 1 19 . 1 1 531 531 TRP CA C 531 56.378 56.378 60.069 -3.692 19383 5191 1 19 . 1 1 531 531 TRP CB C 531 29.409 29.409 29.919 -0.510 19383 5192 1 19 . 1 1 531 531 TRP H H 531 7.398 7.398 8.200 -0.802 19383 5193 1 19 . 1 1 532 532 ILE N N 532 121.501 121.501 112.083 9.418 19383 5194 1 19 . 1 1 532 532 ILE HA H 532 3.768 3.768 4.491 -0.723 19383 5195 1 19 . 1 1 532 532 ILE CA C 532 63.813 63.813 57.169 6.644 19383 5196 1 19 . 1 1 532 532 ILE H H 532 7.197 7.197 7.270 -0.073 19383 5197 1 19 . 1 1 533 533 PRO HA H 533 4.169 4.169 4.197 -0.028 19383 5198 1 19 . 1 1 533 533 PRO CA C 533 64.431 64.431 63.609 0.822 19383 5199 1 19 . 1 1 533 533 PRO CB C 533 32.238 32.238 30.947 1.291 19383 5200 1 19 . 1 1 534 534 TYR HA H 534 4.086 4.086 4.381 -0.295 19383 5201 1 19 . 1 1 534 534 TYR CA C 534 60.819 60.819 59.322 1.498 19383 5202 1 19 . 1 1 534 534 TYR CB C 534 38.437 38.437 38.933 -0.496 19383 5203 1 19 . 1 1 534 534 TYR H H 534 8.066 8.066 7.896 0.170 19383 5204 1 19 . 1 1 535 535 PHE HA H 535 4.316 4.316 4.299 0.017 19383 5205 1 19 . 1 1 535 535 PHE C C 535 175.669 175.669 176.444 -0.775 19383 5206 1 19 . 1 1 535 535 PHE CA C 535 58.885 58.885 59.438 -0.553 19383 5207 1 19 . 1 1 535 535 PHE CB C 535 40.304 40.304 39.272 1.032 19383 5208 1 19 . 1 1 535 535 PHE H H 535 8.123 8.123 8.156 -0.033 19383 5209 1 19 . 1 1 536 536 GLY N N 536 107.103 107.103 105.790 1.313 19383 5210 1 19 . 1 1 536 536 GLY CA C 536 46.510 46.510 44.822 1.688 19383 5211 1 19 . 1 1 536 536 GLY H H 536 8.031 8.031 7.903 0.128 19383 5212 1 19 . 1 1 537 537 PRO HA H 537 4.210 4.210 4.511 -0.301 19383 5213 1 19 . 1 1 537 537 PRO C C 537 175.183 175.183 176.556 -1.373 19383 5214 1 19 . 1 1 537 537 PRO CA C 537 64.563 64.563 62.527 2.036 19383 5215 1 19 . 1 1 537 537 PRO CB C 537 31.618 31.618 31.781 -0.163 19383 5216 1 19 . 1 1 538 538 ALA N N 538 120.228 120.228 121.564 -1.336 19383 5217 1 19 . 1 1 538 538 ALA HA H 538 4.095 4.095 4.011 0.084 19383 5218 1 19 . 1 1 538 538 ALA C C 538 175.268 175.268 178.820 -3.552 19383 5219 1 19 . 1 1 538 538 ALA CA C 538 54.373 54.373 54.309 0.063 19383 5220 1 19 . 1 1 538 538 ALA CB C 538 18.694 18.694 18.532 0.162 19383 5221 1 19 . 1 1 538 538 ALA H H 538 7.799 7.799 8.234 -0.435 19383 5222 1 19 . 1 1 539 539 ALA N N 539 120.412 120.412 119.302 1.110 19383 5223 1 19 . 1 1 539 539 ALA HA H 539 3.883 3.883 4.113 -0.230 19383 5224 1 19 . 1 1 539 539 ALA C C 539 175.516 175.516 179.715 -4.199 19383 5225 1 19 . 1 1 539 539 ALA CA C 539 54.526 54.526 54.644 -0.118 19383 5226 1 19 . 1 1 539 539 ALA CB C 539 18.780 18.780 16.993 1.787 19383 5227 1 19 . 1 1 539 539 ALA H H 539 8.208 8.208 8.378 -0.170 19383 5228 1 19 . 1 1 540 540 GLU N N 540 116.209 116.209 119.782 -3.573 19383 5229 1 19 . 1 1 540 540 GLU HA H 540 3.933 3.933 4.066 -0.133 19383 5230 1 19 . 1 1 540 540 GLU C C 540 176.525 176.525 177.236 -0.711 19383 5231 1 19 . 1 1 540 540 GLU CA C 540 58.522 58.522 59.011 -0.489 19383 5232 1 19 . 1 1 540 540 GLU CB C 540 28.907 28.907 29.485 -0.578 19383 5233 1 19 . 1 1 540 540 GLU H H 540 8.162 8.162 8.699 -0.537 19383 5234 1 19 . 1 1 541 541 GLY N N 541 107.297 107.297 104.877 2.420 19383 5235 1 19 . 1 1 541 541 GLY C C 541 178.784 178.784 175.185 3.599 19383 5236 1 19 . 1 1 541 541 GLY CA C 541 45.692 45.692 45.195 0.497 19383 5237 1 19 . 1 1 541 541 GLY H H 541 8.033 8.033 8.109 -0.076 19383 5238 1 19 . 1 1 542 542 ILE N N 542 121.066 121.066 118.097 2.969 19383 5239 1 19 . 1 1 542 542 ILE HA H 542 3.765 3.765 4.015 -0.250 19383 5240 1 19 . 1 1 542 542 ILE C C 542 176.804 176.804 175.896 0.908 19383 5241 1 19 . 1 1 542 542 ILE CA C 542 63.871 63.871 62.332 1.539 19383 5242 1 19 . 1 1 542 542 ILE CB C 542 38.075 38.075 37.580 0.495 19383 5243 1 19 . 1 1 542 542 ILE H H 542 7.870 7.870 7.989 -0.119 19383 5244 1 19 . 1 1 543 543 TYR N N 543 120.347 120.347 119.716 0.631 19383 5245 1 19 . 1 1 543 543 TYR HA H 543 4.144 4.144 4.619 -0.475 19383 5246 1 19 . 1 1 543 543 TYR C C 543 179.780 179.780 175.797 3.983 19383 5247 1 19 . 1 1 543 543 TYR CA C 543 60.629 60.629 58.911 1.718 19383 5248 1 19 . 1 1 543 543 TYR CB C 543 38.425 38.425 40.134 -1.709 19383 5249 1 19 . 1 1 543 543 TYR H H 543 8.066 8.066 8.260 -0.194 19383 5250 1 19 . 1 1 544 544 ALA N N 544 119.787 119.787 121.883 -2.096 19383 5251 1 19 . 1 1 544 544 ALA HA H 544 3.926 3.926 4.501 -0.575 19383 5252 1 19 . 1 1 544 544 ALA C C 544 175.014 175.014 177.264 -2.250 19383 5253 1 19 . 1 1 544 544 ALA CA C 544 54.262 54.262 53.117 1.145 19383 5254 1 19 . 1 1 544 544 ALA CB C 544 18.991 18.991 20.339 -1.348 19383 5255 1 19 . 1 1 544 544 ALA H H 544 7.910 7.910 7.985 -0.075 19383 5256 1 19 . 1 1 545 545 GLU N N 545 115.906 115.906 118.421 -2.515 19383 5257 1 19 . 1 1 545 545 GLU HA H 545 4.056 4.056 4.429 -0.373 19383 5258 1 19 . 1 1 545 545 GLU C C 545 176.541 176.541 178.080 -1.539 19383 5259 1 19 . 1 1 545 545 GLU CA C 545 56.978 56.978 56.153 0.825 19383 5260 1 19 . 1 1 545 545 GLU CB C 545 29.625 29.625 32.191 -2.566 19383 5261 1 19 . 1 1 545 545 GLU H H 545 7.866 7.866 8.118 -0.252 19383 5262 1 19 . 1 1 546 546 GLY N N 546 107.293 107.293 109.441 -2.148 19383 5263 1 19 . 1 1 546 546 GLY C C 546 180.358 180.358 174.267 6.091 19383 5264 1 19 . 1 1 546 546 GLY CA C 546 45.645 45.645 46.979 -1.334 19383 5265 1 19 . 1 1 546 546 GLY H H 546 8.019 8.019 8.497 -0.478 19383 5266 1 19 . 1 1 547 547 LEU N N 547 121.469 121.469 114.566 6.903 19383 5267 1 19 . 1 1 547 547 LEU HA H 547 4.147 4.147 4.370 -0.223 19383 5268 1 19 . 1 1 547 547 LEU C C 547 176.730 176.730 175.784 0.946 19383 5269 1 19 . 1 1 547 547 LEU CA C 547 55.851 55.851 56.327 -0.476 19383 5270 1 19 . 1 1 547 547 LEU CB C 547 42.514 42.514 41.678 0.836 19383 5271 1 19 . 1 1 547 547 LEU H H 547 7.892 7.892 7.764 0.128 19383 5272 1 19 . 1 1 548 548 MET N N 548 116.092 116.092 118.865 -2.773 19383 5273 1 19 . 1 1 548 548 MET HA H 548 4.218 4.218 4.444 -0.226 19383 5274 1 19 . 1 1 548 548 MET C C 548 177.832 177.832 176.325 1.507 19383 5275 1 19 . 1 1 548 548 MET CA C 548 55.861 55.861 54.880 0.981 19383 5276 1 19 . 1 1 548 548 MET CB C 548 32.338 32.338 32.783 -0.445 19383 5277 1 19 . 1 1 548 548 MET H H 548 7.995 7.995 8.200 -0.205 19383 5278 1 19 . 1 1 549 549 HIS N N 549 116.959 116.959 113.560 3.399 19383 5279 1 19 . 1 1 549 549 HIS HA H 549 4.577 4.577 4.686 -0.109 19383 5280 1 19 . 1 1 549 549 HIS C C 549 179.852 179.852 175.918 3.934 19383 5281 1 19 . 1 1 549 549 HIS CA C 549 55.656 55.656 56.412 -0.756 19383 5282 1 19 . 1 1 549 549 HIS CB C 549 28.847 28.847 28.586 0.261 19383 5283 1 19 . 1 1 549 549 HIS H H 549 8.074 8.074 8.024 0.050 19383 5284 1 19 . 1 1 550 550 ASN N N 550 118.599 118.599 117.012 1.587 19383 5285 1 19 . 1 1 550 550 ASN HA H 550 4.611 4.611 4.836 -0.225 19383 5286 1 19 . 1 1 550 550 ASN C C 550 178.753 178.753 175.208 3.545 19383 5287 1 19 . 1 1 550 550 ASN CA C 550 53.651 53.651 54.567 -0.916 19383 5288 1 19 . 1 1 550 550 ASN CB C 550 38.884 38.884 39.330 -0.446 19383 5289 1 19 . 1 1 550 550 ASN H H 550 8.235 8.235 8.011 0.224 19383 5290 1 19 . 1 1 551 551 GLN N N 551 119.902 119.902 119.142 0.760 19383 5291 1 19 . 1 1 551 551 GLN HA H 551 4.203 4.203 4.192 0.011 19383 5292 1 19 . 1 1 551 551 GLN C C 551 178.390 178.390 175.738 2.652 19383 5293 1 19 . 1 1 551 551 GLN CA C 551 56.276 56.276 56.509 -0.233 19383 5294 1 19 . 1 1 551 551 GLN CB C 551 28.931 28.931 27.073 1.858 19383 5295 1 19 . 1 1 551 551 GLN H H 551 8.359 8.359 7.644 0.715 19383 5296 1 19 . 1 1 552 552 ASP N N 552 119.524 119.524 121.201 -1.677 19383 5297 1 19 . 1 1 552 552 ASP HA H 552 4.448 4.448 4.817 -0.369 19383 5298 1 19 . 1 1 552 552 ASP C C 552 177.522 177.522 176.273 1.249 19383 5299 1 19 . 1 1 552 552 ASP CA C 552 54.856 54.856 53.923 0.932 19383 5300 1 19 . 1 1 552 552 ASP CB C 552 40.814 40.814 40.619 0.195 19383 5301 1 19 . 1 1 552 552 ASP H H 552 8.190 8.190 8.841 -0.651 19383 5302 1 19 . 1 1 553 553 GLY N N 553 108.043 108.043 104.467 3.576 19383 5303 1 19 . 1 1 553 553 GLY C C 553 179.757 179.757 173.597 6.160 19383 5304 1 19 . 1 1 553 553 GLY CA C 553 45.626 45.626 45.196 0.430 19383 5305 1 19 . 1 1 553 553 GLY H H 553 8.130 8.130 8.242 -0.112 19383 5306 1 19 . 1 1 554 554 LEU N N 554 121.485 121.485 119.237 2.248 19383 5307 1 19 . 1 1 554 554 LEU HA H 554 4.168 4.168 4.414 -0.246 19383 5308 1 19 . 1 1 554 554 LEU C C 554 176.732 176.732 178.366 -1.634 19383 5309 1 19 . 1 1 554 554 LEU CA C 554 56.145 56.145 56.628 -0.483 19383 5310 1 19 . 1 1 554 554 LEU CB C 554 42.513 42.513 42.065 0.448 19383 5311 1 19 . 1 1 554 554 LEU H H 554 8.081 8.081 7.726 0.355 19383 5312 1 19 . 1 1 555 555 ILE N N 555 117.390 117.390 119.725 -2.335 19383 5313 1 19 . 1 1 555 555 ILE HA H 555 3.954 3.954 4.085 -0.131 19383 5314 1 19 . 1 1 555 555 ILE C C 555 178.242 178.242 177.519 0.723 19383 5315 1 19 . 1 1 555 555 ILE CA C 555 61.929 61.929 61.882 0.047 19383 5316 1 19 . 1 1 555 555 ILE CB C 555 38.317 38.317 36.004 2.313 19383 5317 1 19 . 1 1 555 555 ILE H H 555 7.976 7.976 8.211 -0.235 19383 5318 1 19 . 1 1 556 556 CYS N N 556 119.495 119.495 113.689 5.806 19383 5319 1 19 . 1 1 556 556 CYS HA H 556 4.411 4.411 4.376 0.035 19383 5320 1 19 . 1 1 556 556 CYS C C 556 178.872 178.872 176.603 2.269 19383 5321 1 19 . 1 1 556 556 CYS CA C 556 56.233 56.233 57.777 -1.544 19383 5322 1 19 . 1 1 556 556 CYS CB C 556 41.438 41.438 25.726 15.712 19383 5323 1 19 . 1 1 556 556 CYS H H 556 8.214 8.214 8.212 0.002 19383 5324 1 19 . 1 1 557 557 GLY N N 557 108.419 108.419 109.870 -1.451 19383 5325 1 19 . 1 1 557 557 GLY C C 557 180.393 180.393 175.347 5.046 19383 5326 1 19 . 1 1 557 557 GLY CA C 557 45.701 45.701 46.543 -0.842 19383 5327 1 19 . 1 1 557 557 GLY H H 557 8.141 8.141 7.632 0.509 19383 5328 1 19 . 1 1 558 558 LEU N N 558 120.318 120.318 117.928 2.390 19383 5329 1 19 . 1 1 558 558 LEU HA H 558 4.237 4.237 3.968 0.269 19383 5330 1 19 . 1 1 558 558 LEU C C 558 177.398 177.398 177.472 -0.074 19383 5331 1 19 . 1 1 558 558 LEU CA C 558 55.730 55.730 56.886 -1.157 19383 5332 1 19 . 1 1 558 558 LEU CB C 558 42.585 42.585 41.539 1.046 19383 5333 1 19 . 1 1 558 558 LEU H H 558 7.837 7.837 7.290 0.547 19383 5334 1 19 . 1 1 559 559 ARG N N 559 119.828 119.828 116.208 3.620 19383 5335 1 19 . 1 1 559 559 ARG HA H 559 4.245 4.245 4.101 0.144 19383 5336 1 19 . 1 1 559 559 ARG C C 559 179.052 179.052 176.220 2.832 19383 5337 1 19 . 1 1 559 559 ARG CA C 559 55.773 55.773 56.949 -1.176 19383 5338 1 19 . 1 1 559 559 ARG CB C 559 31.191 31.191 29.085 2.106 19383 5339 1 19 . 1 1 559 559 ARG H H 559 8.007 8.007 8.142 -0.135 19383 5340 1 20 . 1 1 508 508 GLN N N 508 120.721 120.721 120.143 0.578 19383 5341 1 20 . 1 1 508 508 GLN HA H 508 4.607 4.607 4.743 -0.136 19383 5342 1 20 . 1 1 508 508 GLN CA C 508 53.627 53.627 54.138 -0.511 19383 5343 1 20 . 1 1 508 508 GLN CB C 508 28.849 28.849 29.421 -0.572 19383 5344 1 20 . 1 1 508 508 GLN H H 508 8.575 8.575 8.507 0.068 19383 5345 1 20 . 1 1 509 509 PRO HA H 509 4.329 4.329 4.421 -0.092 19383 5346 1 20 . 1 1 509 509 PRO C C 509 177.740 177.740 177.093 0.647 19383 5347 1 20 . 1 1 509 509 PRO CA C 509 63.094 63.094 63.980 -0.886 19383 5348 1 20 . 1 1 509 509 PRO CB C 509 32.083 32.083 32.448 -0.365 19383 5349 1 20 . 1 1 510 510 LYS N N 510 121.228 121.228 113.867 7.361 19383 5350 1 20 . 1 1 510 510 LYS HA H 510 4.233 4.233 4.274 -0.041 19383 5351 1 20 . 1 1 510 510 LYS C C 510 177.951 177.951 175.630 2.321 19383 5352 1 20 . 1 1 510 510 LYS CA C 510 55.910 55.910 56.348 -0.438 19383 5353 1 20 . 1 1 510 510 LYS CB C 510 32.985 32.985 32.644 0.341 19383 5354 1 20 . 1 1 510 510 LYS H H 510 8.330 8.330 8.299 0.031 19383 5355 1 20 . 1 1 511 511 CYS N N 511 119.374 119.374 119.601 -0.227 19383 5356 1 20 . 1 1 511 511 CYS HA H 511 4.562 4.562 4.370 0.192 19383 5357 1 20 . 1 1 511 511 CYS C C 511 180.885 180.885 174.020 6.865 19383 5358 1 20 . 1 1 511 511 CYS CA C 511 55.085 55.085 59.566 -4.481 19383 5359 1 20 . 1 1 511 511 CYS CB C 511 41.809 41.809 25.123 16.686 19383 5360 1 20 . 1 1 511 511 CYS H H 511 8.284 8.284 8.417 -0.133 19383 5361 1 20 . 1 1 512 512 ASN N N 512 122.292 122.292 119.204 3.088 19383 5362 1 20 . 1 1 512 512 ASN HA H 512 4.898 4.898 5.061 -0.163 19383 5363 1 20 . 1 1 512 512 ASN CA C 512 50.921 50.921 52.174 -1.253 19383 5364 1 20 . 1 1 512 512 ASN CB C 512 39.105 39.105 39.677 -0.572 19383 5365 1 20 . 1 1 512 512 ASN H H 512 8.614 8.614 8.308 0.306 19383 5366 1 20 . 1 1 513 513 PRO HA H 513 4.294 4.294 4.836 -0.542 19383 5367 1 20 . 1 1 513 513 PRO C C 513 177.920 177.920 176.792 1.128 19383 5368 1 20 . 1 1 513 513 PRO CA C 513 63.373 63.373 63.884 -0.511 19383 5369 1 20 . 1 1 513 513 PRO CB C 513 31.880 31.880 31.826 0.054 19383 5370 1 20 . 1 1 514 514 ASN N N 514 117.476 117.476 116.149 1.327 19383 5371 1 20 . 1 1 514 514 ASN HA H 514 4.557 4.557 4.637 -0.080 19383 5372 1 20 . 1 1 514 514 ASN C C 514 179.369 179.369 175.579 3.790 19383 5373 1 20 . 1 1 514 514 ASN CA C 514 53.454 53.454 54.942 -1.488 19383 5374 1 20 . 1 1 514 514 ASN CB C 514 38.954 38.954 39.148 -0.194 19383 5375 1 20 . 1 1 514 514 ASN H H 514 8.285 8.285 8.311 -0.026 19383 5376 1 20 . 1 1 515 515 LEU N N 515 121.054 121.054 122.148 -1.094 19383 5377 1 20 . 1 1 515 515 LEU HA H 515 4.154 4.154 4.564 -0.410 19383 5378 1 20 . 1 1 515 515 LEU C C 515 177.719 177.719 176.086 1.633 19383 5379 1 20 . 1 1 515 515 LEU CA C 515 55.268 55.268 53.648 1.620 19383 5380 1 20 . 1 1 515 515 LEU CB C 515 42.079 42.079 40.111 1.968 19383 5381 1 20 . 1 1 515 515 LEU H H 515 7.770 7.770 7.465 0.305 19383 5382 1 20 . 1 1 516 516 HIS N N 516 117.461 117.461 118.776 -1.315 19383 5383 1 20 . 1 1 516 516 HIS HA H 516 4.451 4.451 4.461 -0.010 19383 5384 1 20 . 1 1 516 516 HIS C C 516 179.871 179.871 175.534 4.337 19383 5385 1 20 . 1 1 516 516 HIS CA C 516 55.414 55.414 56.711 -1.297 19383 5386 1 20 . 1 1 516 516 HIS CB C 516 28.867 28.867 29.774 -0.907 19383 5387 1 20 . 1 1 516 516 HIS H H 516 8.126 8.126 7.335 0.791 19383 5388 1 20 . 1 1 517 517 TYR N N 517 120.302 120.302 117.095 3.207 19383 5389 1 20 . 1 1 517 517 TYR HA H 517 4.222 4.222 4.193 0.029 19383 5390 1 20 . 1 1 517 517 TYR C C 517 178.883 178.883 175.719 3.164 19383 5391 1 20 . 1 1 517 517 TYR CA C 517 59.410 59.410 58.414 0.995 19383 5392 1 20 . 1 1 517 517 TYR CB C 517 38.843 38.843 37.623 1.220 19383 5393 1 20 . 1 1 517 517 TYR H H 517 8.101 8.101 7.581 0.520 19383 5394 1 20 . 1 1 518 518 TRP N N 518 118.660 118.660 116.764 1.896 19383 5395 1 20 . 1 1 518 518 TRP HA H 518 4.569 4.569 5.045 -0.476 19383 5396 1 20 . 1 1 518 518 TRP C C 518 178.468 178.468 176.837 1.631 19383 5397 1 20 . 1 1 518 518 TRP CA C 518 57.501 57.501 57.446 0.055 19383 5398 1 20 . 1 1 518 518 TRP CB C 518 29.619 29.619 32.432 -2.813 19383 5399 1 20 . 1 1 518 518 TRP H H 518 7.665 7.665 7.567 0.098 19383 5400 1 20 . 1 1 519 519 THR N N 519 112.373 112.373 111.763 0.610 19383 5401 1 20 . 1 1 519 519 THR HA H 519 4.351 4.351 3.789 0.562 19383 5402 1 20 . 1 1 519 519 THR C C 519 179.594 179.594 175.283 4.311 19383 5403 1 20 . 1 1 519 519 THR CA C 519 61.654 61.654 64.902 -3.248 19383 5404 1 20 . 1 1 519 519 THR CB C 519 69.859 69.859 67.544 2.314 19383 5405 1 20 . 1 1 519 519 THR H H 519 7.894 7.894 8.107 -0.213 19383 5406 1 20 . 1 1 520 520 THR N N 520 114.438 114.438 116.764 -2.326 19383 5407 1 20 . 1 1 520 520 THR HA H 520 4.256 4.256 4.391 -0.135 19383 5408 1 20 . 1 1 520 520 THR C C 520 179.419 179.419 176.127 3.292 19383 5409 1 20 . 1 1 520 520 THR CA C 520 62.019 62.019 64.291 -2.272 19383 5410 1 20 . 1 1 520 520 THR CB C 520 69.709 69.709 69.173 0.536 19383 5411 1 20 . 1 1 520 520 THR H H 520 7.957 7.957 8.702 -0.745 19383 5412 1 20 . 1 1 521 521 GLN N N 521 121.453 121.453 121.125 0.328 19383 5413 1 20 . 1 1 521 521 GLN HA H 521 4.175 4.175 4.203 -0.028 19383 5414 1 20 . 1 1 521 521 GLN C C 521 178.345 178.345 176.628 1.717 19383 5415 1 20 . 1 1 521 521 GLN CA C 521 56.302 56.302 59.017 -2.715 19383 5416 1 20 . 1 1 521 521 GLN CB C 521 29.118 29.118 28.893 0.225 19383 5417 1 20 . 1 1 521 521 GLN H H 521 8.224 8.224 8.448 -0.224 19383 5418 1 20 . 1 1 522 522 ASP N N 522 120.227 120.227 117.563 2.664 19383 5419 1 20 . 1 1 522 522 ASP HA H 522 4.461 4.461 4.790 -0.329 19383 5420 1 20 . 1 1 522 522 ASP C C 522 177.838 177.838 177.446 0.392 19383 5421 1 20 . 1 1 522 522 ASP CA C 522 54.741 54.741 55.562 -0.821 19383 5422 1 20 . 1 1 522 522 ASP CB C 522 40.847 40.847 41.059 -0.212 19383 5423 1 20 . 1 1 522 522 ASP H H 522 8.155 8.155 7.832 0.323 19383 5424 1 20 . 1 1 523 523 GLU N N 523 120.511 120.511 119.043 1.468 19383 5425 1 20 . 1 1 523 523 GLU HA H 523 4.102 4.102 4.215 -0.113 19383 5426 1 20 . 1 1 523 523 GLU C C 523 177.165 177.165 176.996 0.169 19383 5427 1 20 . 1 1 523 523 GLU CA C 523 57.161 57.161 58.008 -0.847 19383 5428 1 20 . 1 1 523 523 GLU CB C 523 29.153 29.153 29.816 -0.663 19383 5429 1 20 . 1 1 523 523 GLU H H 523 8.250 8.250 7.847 0.403 19383 5430 1 20 . 1 1 524 524 GLY N N 524 108.395 108.395 103.806 4.589 19383 5431 1 20 . 1 1 524 524 GLY C C 524 179.999 179.999 173.410 6.589 19383 5432 1 20 . 1 1 524 524 GLY CA C 524 45.791 45.791 44.908 0.883 19383 5433 1 20 . 1 1 524 524 GLY H H 524 8.308 8.308 7.634 0.674 19383 5434 1 20 . 1 1 525 525 ALA N N 525 123.026 123.026 123.082 -0.056 19383 5435 1 20 . 1 1 525 525 ALA HA H 525 4.139 4.139 4.675 -0.536 19383 5436 1 20 . 1 1 525 525 ALA C C 525 176.642 176.642 177.270 -0.628 19383 5437 1 20 . 1 1 525 525 ALA CA C 525 52.706 52.706 52.417 0.289 19383 5438 1 20 . 1 1 525 525 ALA CB C 525 19.148 19.148 20.266 -1.118 19383 5439 1 20 . 1 1 525 525 ALA H H 525 7.884 7.884 7.730 0.154 19383 5440 1 20 . 1 1 526 526 ALA N N 526 121.593 121.593 121.696 -0.103 19383 5441 1 20 . 1 1 526 526 ALA HA H 526 4.164 4.164 4.790 -0.626 19383 5442 1 20 . 1 1 526 526 ALA C C 526 176.320 176.320 176.302 0.018 19383 5443 1 20 . 1 1 526 526 ALA CA C 526 52.788 52.788 51.998 0.790 19383 5444 1 20 . 1 1 526 526 ALA CB C 526 19.055 19.055 19.874 -0.819 19383 5445 1 20 . 1 1 526 526 ALA H H 526 8.027 8.027 7.816 0.211 19383 5446 1 20 . 1 1 527 527 ILE N N 527 117.907 117.907 112.904 5.003 19383 5447 1 20 . 1 1 527 527 ILE HA H 527 3.874 3.874 4.368 -0.494 19383 5448 1 20 . 1 1 527 527 ILE C C 527 177.983 177.983 177.594 0.389 19383 5449 1 20 . 1 1 527 527 ILE CA C 527 61.894 61.894 60.343 1.551 19383 5450 1 20 . 1 1 527 527 ILE CB C 527 38.485 38.485 38.176 0.309 19383 5451 1 20 . 1 1 527 527 ILE H H 527 7.913 7.913 7.639 0.274 19383 5452 1 20 . 1 1 528 528 GLY N N 528 109.328 109.328 109.098 0.230 19383 5453 1 20 . 1 1 528 528 GLY C C 528 180.040 180.040 175.459 4.581 19383 5454 1 20 . 1 1 528 528 GLY CA C 528 45.877 45.877 47.124 -1.247 19383 5455 1 20 . 1 1 528 528 GLY H H 528 8.045 8.045 8.627 -0.582 19383 5456 1 20 . 1 1 529 529 LEU N N 529 119.297 119.297 115.959 3.338 19383 5457 1 20 . 1 1 529 529 LEU HA H 529 4.076 4.076 4.632 -0.556 19383 5458 1 20 . 1 1 529 529 LEU C C 529 177.413 177.413 177.426 -0.013 19383 5459 1 20 . 1 1 529 529 LEU CA C 529 55.759 55.759 56.050 -0.291 19383 5460 1 20 . 1 1 529 529 LEU CB C 529 42.321 42.321 42.200 0.120 19383 5461 1 20 . 1 1 529 529 LEU H H 529 8.083 8.083 7.561 0.522 19383 5462 1 20 . 1 1 530 530 ALA N N 530 120.355 120.355 119.713 0.642 19383 5463 1 20 . 1 1 530 530 ALA HA H 530 4.035 4.035 4.389 -0.354 19383 5464 1 20 . 1 1 530 530 ALA C C 530 177.142 177.142 177.619 -0.477 19383 5465 1 20 . 1 1 530 530 ALA CA C 530 53.814 53.814 51.708 2.106 19383 5466 1 20 . 1 1 530 530 ALA CB C 530 18.780 18.780 18.890 -0.110 19383 5467 1 20 . 1 1 530 530 ALA H H 530 8.015 8.015 7.611 0.404 19383 5468 1 20 . 1 1 531 531 TRP N N 531 114.575 114.575 120.732 -6.157 19383 5469 1 20 . 1 1 531 531 TRP HA H 531 4.589 4.589 4.539 0.050 19383 5470 1 20 . 1 1 531 531 TRP C C 531 177.968 177.968 175.376 2.592 19383 5471 1 20 . 1 1 531 531 TRP CA C 531 56.378 56.378 59.401 -3.023 19383 5472 1 20 . 1 1 531 531 TRP CB C 531 29.409 29.409 29.816 -0.407 19383 5473 1 20 . 1 1 531 531 TRP H H 531 7.398 7.398 8.327 -0.929 19383 5474 1 20 . 1 1 532 532 ILE N N 532 121.501 121.501 112.059 9.442 19383 5475 1 20 . 1 1 532 532 ILE HA H 532 3.768 3.768 4.379 -0.611 19383 5476 1 20 . 1 1 532 532 ILE CA C 532 63.813 63.813 57.009 6.804 19383 5477 1 20 . 1 1 532 532 ILE H H 532 7.197 7.197 7.219 -0.022 19383 5478 1 20 . 1 1 533 533 PRO HA H 533 4.169 4.169 4.221 -0.052 19383 5479 1 20 . 1 1 533 533 PRO CA C 533 64.431 64.431 63.396 1.035 19383 5480 1 20 . 1 1 533 533 PRO CB C 533 32.238 32.238 31.012 1.226 19383 5481 1 20 . 1 1 534 534 TYR HA H 534 4.086 4.086 4.463 -0.377 19383 5482 1 20 . 1 1 534 534 TYR CA C 534 60.819 60.819 59.154 1.665 19383 5483 1 20 . 1 1 534 534 TYR CB C 534 38.437 38.437 39.016 -0.579 19383 5484 1 20 . 1 1 534 534 TYR H H 534 8.066 8.066 7.952 0.114 19383 5485 1 20 . 1 1 535 535 PHE HA H 535 4.316 4.316 4.426 -0.110 19383 5486 1 20 . 1 1 535 535 PHE C C 535 175.669 175.669 176.569 -0.900 19383 5487 1 20 . 1 1 535 535 PHE CA C 535 58.885 58.885 59.196 -0.311 19383 5488 1 20 . 1 1 535 535 PHE CB C 535 40.304 40.304 39.535 0.770 19383 5489 1 20 . 1 1 535 535 PHE H H 535 8.123 8.123 8.122 0.001 19383 5490 1 20 . 1 1 536 536 GLY N N 536 107.103 107.103 106.026 1.077 19383 5491 1 20 . 1 1 536 536 GLY CA C 536 46.510 46.510 44.833 1.677 19383 5492 1 20 . 1 1 536 536 GLY H H 536 8.031 8.031 7.956 0.075 19383 5493 1 20 . 1 1 537 537 PRO HA H 537 4.210 4.210 4.550 -0.340 19383 5494 1 20 . 1 1 537 537 PRO C C 537 175.183 175.183 176.714 -1.531 19383 5495 1 20 . 1 1 537 537 PRO CA C 537 64.563 64.563 62.545 2.018 19383 5496 1 20 . 1 1 537 537 PRO CB C 537 31.618 31.618 31.846 -0.228 19383 5497 1 20 . 1 1 538 538 ALA N N 538 120.228 120.228 121.707 -1.479 19383 5498 1 20 . 1 1 538 538 ALA HA H 538 4.095 4.095 4.028 0.067 19383 5499 1 20 . 1 1 538 538 ALA C C 538 175.268 175.268 178.877 -3.609 19383 5500 1 20 . 1 1 538 538 ALA CA C 538 54.373 54.373 54.399 -0.026 19383 5501 1 20 . 1 1 538 538 ALA CB C 538 18.694 18.694 18.526 0.168 19383 5502 1 20 . 1 1 538 538 ALA H H 538 7.799 7.799 8.275 -0.476 19383 5503 1 20 . 1 1 539 539 ALA N N 539 120.412 120.412 119.369 1.043 19383 5504 1 20 . 1 1 539 539 ALA HA H 539 3.883 3.883 4.086 -0.203 19383 5505 1 20 . 1 1 539 539 ALA C C 539 175.516 175.516 179.806 -4.290 19383 5506 1 20 . 1 1 539 539 ALA CA C 539 54.526 54.526 54.649 -0.123 19383 5507 1 20 . 1 1 539 539 ALA CB C 539 18.780 18.780 16.907 1.873 19383 5508 1 20 . 1 1 539 539 ALA H H 539 8.208 8.208 8.395 -0.187 19383 5509 1 20 . 1 1 540 540 GLU N N 540 116.209 116.209 119.898 -3.689 19383 5510 1 20 . 1 1 540 540 GLU HA H 540 3.933 3.933 4.046 -0.113 19383 5511 1 20 . 1 1 540 540 GLU C C 540 176.525 176.525 177.709 -1.184 19383 5512 1 20 . 1 1 540 540 GLU CA C 540 58.522 58.522 59.749 -1.227 19383 5513 1 20 . 1 1 540 540 GLU CB C 540 28.907 28.907 29.626 -0.719 19383 5514 1 20 . 1 1 540 540 GLU H H 540 8.162 8.162 8.729 -0.567 19383 5515 1 20 . 1 1 541 541 GLY N N 541 107.297 107.297 103.483 3.814 19383 5516 1 20 . 1 1 541 541 GLY C C 541 178.784 178.784 174.314 4.470 19383 5517 1 20 . 1 1 541 541 GLY CA C 541 45.692 45.692 45.093 0.599 19383 5518 1 20 . 1 1 541 541 GLY H H 541 8.033 8.033 8.569 -0.536 19383 5519 1 20 . 1 1 542 542 ILE N N 542 121.066 121.066 113.686 7.380 19383 5520 1 20 . 1 1 542 542 ILE HA H 542 3.765 3.765 4.043 -0.278 19383 5521 1 20 . 1 1 542 542 ILE C C 542 176.804 176.804 175.864 0.940 19383 5522 1 20 . 1 1 542 542 ILE CA C 542 63.871 63.871 60.291 3.580 19383 5523 1 20 . 1 1 542 542 ILE CB C 542 38.075 38.075 37.602 0.473 19383 5524 1 20 . 1 1 542 542 ILE H H 542 7.870 7.870 7.325 0.545 19383 5525 1 20 . 1 1 543 543 TYR N N 543 120.347 120.347 120.424 -0.077 19383 5526 1 20 . 1 1 543 543 TYR HA H 543 4.144 4.144 4.522 -0.378 19383 5527 1 20 . 1 1 543 543 TYR C C 543 179.780 179.780 175.973 3.807 19383 5528 1 20 . 1 1 543 543 TYR CA C 543 60.629 60.629 59.468 1.161 19383 5529 1 20 . 1 1 543 543 TYR CB C 543 38.425 38.425 39.986 -1.560 19383 5530 1 20 . 1 1 543 543 TYR H H 543 8.066 8.066 8.399 -0.333 19383 5531 1 20 . 1 1 544 544 ALA N N 544 119.787 119.787 121.761 -1.974 19383 5532 1 20 . 1 1 544 544 ALA HA H 544 3.926 3.926 4.433 -0.506 19383 5533 1 20 . 1 1 544 544 ALA C C 544 175.014 175.014 177.640 -2.626 19383 5534 1 20 . 1 1 544 544 ALA CA C 544 54.262 54.262 53.733 0.529 19383 5535 1 20 . 1 1 544 544 ALA CB C 544 18.991 18.991 19.183 -0.192 19383 5536 1 20 . 1 1 544 544 ALA H H 544 7.910 7.910 7.804 0.106 19383 5537 1 20 . 1 1 545 545 GLU N N 545 115.906 115.906 118.108 -2.202 19383 5538 1 20 . 1 1 545 545 GLU HA H 545 4.056 4.056 4.364 -0.308 19383 5539 1 20 . 1 1 545 545 GLU C C 545 176.541 176.541 177.671 -1.130 19383 5540 1 20 . 1 1 545 545 GLU CA C 545 56.978 56.978 56.465 0.513 19383 5541 1 20 . 1 1 545 545 GLU CB C 545 29.625 29.625 30.649 -1.024 19383 5542 1 20 . 1 1 545 545 GLU H H 545 7.866 7.866 7.969 -0.103 19383 5543 1 20 . 1 1 546 546 GLY N N 546 107.293 107.293 109.135 -1.842 19383 5544 1 20 . 1 1 546 546 GLY C C 546 180.358 180.358 174.534 5.824 19383 5545 1 20 . 1 1 546 546 GLY CA C 546 45.645 45.645 46.882 -1.237 19383 5546 1 20 . 1 1 546 546 GLY H H 546 8.019 8.019 8.576 -0.557 19383 5547 1 20 . 1 1 547 547 LEU N N 547 121.469 121.469 113.592 7.877 19383 5548 1 20 . 1 1 547 547 LEU HA H 547 4.147 4.147 4.410 -0.263 19383 5549 1 20 . 1 1 547 547 LEU C C 547 176.730 176.730 176.007 0.723 19383 5550 1 20 . 1 1 547 547 LEU CA C 547 55.851 55.851 56.038 -0.187 19383 5551 1 20 . 1 1 547 547 LEU CB C 547 42.514 42.514 41.899 0.615 19383 5552 1 20 . 1 1 547 547 LEU H H 547 7.892 7.892 7.616 0.276 19383 5553 1 20 . 1 1 548 548 MET N N 548 116.092 116.092 119.738 -3.646 19383 5554 1 20 . 1 1 548 548 MET HA H 548 4.218 4.218 4.438 -0.220 19383 5555 1 20 . 1 1 548 548 MET C C 548 177.832 177.832 176.764 1.068 19383 5556 1 20 . 1 1 548 548 MET CA C 548 55.861 55.861 55.503 0.358 19383 5557 1 20 . 1 1 548 548 MET CB C 548 32.338 32.338 32.903 -0.565 19383 5558 1 20 . 1 1 548 548 MET H H 548 7.995 7.995 8.095 -0.100 19383 5559 1 20 . 1 1 549 549 HIS N N 549 116.959 116.959 115.865 1.094 19383 5560 1 20 . 1 1 549 549 HIS HA H 549 4.577 4.577 4.690 -0.113 19383 5561 1 20 . 1 1 549 549 HIS C C 549 179.852 179.852 175.106 4.746 19383 5562 1 20 . 1 1 549 549 HIS CA C 549 55.656 55.656 57.372 -1.716 19383 5563 1 20 . 1 1 549 549 HIS CB C 549 28.847 28.847 28.721 0.126 19383 5564 1 20 . 1 1 549 549 HIS H H 549 8.074 8.074 8.154 -0.080 19383 5565 1 20 . 1 1 550 550 ASN N N 550 118.599 118.599 116.625 1.974 19383 5566 1 20 . 1 1 550 550 ASN HA H 550 4.611 4.611 4.851 -0.240 19383 5567 1 20 . 1 1 550 550 ASN C C 550 178.753 178.753 175.274 3.479 19383 5568 1 20 . 1 1 550 550 ASN CA C 550 53.651 53.651 54.201 -0.550 19383 5569 1 20 . 1 1 550 550 ASN CB C 550 38.884 38.884 39.919 -1.035 19383 5570 1 20 . 1 1 550 550 ASN H H 550 8.235 8.235 7.746 0.489 19383 5571 1 20 . 1 1 551 551 GLN N N 551 119.902 119.902 119.864 0.038 19383 5572 1 20 . 1 1 551 551 GLN HA H 551 4.203 4.203 4.199 0.004 19383 5573 1 20 . 1 1 551 551 GLN C C 551 178.390 178.390 175.374 3.016 19383 5574 1 20 . 1 1 551 551 GLN CA C 551 56.276 56.276 56.159 0.117 19383 5575 1 20 . 1 1 551 551 GLN CB C 551 28.931 28.931 26.811 2.120 19383 5576 1 20 . 1 1 551 551 GLN H H 551 8.359 8.359 7.433 0.926 19383 5577 1 20 . 1 1 552 552 ASP N N 552 119.524 119.524 118.234 1.290 19383 5578 1 20 . 1 1 552 552 ASP HA H 552 4.448 4.448 4.935 -0.487 19383 5579 1 20 . 1 1 552 552 ASP C C 552 177.522 177.522 177.271 0.251 19383 5580 1 20 . 1 1 552 552 ASP CA C 552 54.856 54.856 52.060 2.796 19383 5581 1 20 . 1 1 552 552 ASP CB C 552 40.814 40.814 40.840 -0.026 19383 5582 1 20 . 1 1 552 552 ASP H H 552 8.190 8.190 8.725 -0.535 19383 5583 1 20 . 1 1 553 553 GLY N N 553 108.043 108.043 107.275 0.768 19383 5584 1 20 . 1 1 553 553 GLY C C 553 179.757 179.757 175.600 4.157 19383 5585 1 20 . 1 1 553 553 GLY CA C 553 45.626 45.626 45.413 0.214 19383 5586 1 20 . 1 1 553 553 GLY H H 553 8.130 8.130 8.062 0.068 19383 5587 1 20 . 1 1 554 554 LEU N N 554 121.485 121.485 123.232 -1.747 19383 5588 1 20 . 1 1 554 554 LEU HA H 554 4.168 4.168 4.116 0.052 19383 5589 1 20 . 1 1 554 554 LEU C C 554 176.732 176.732 177.859 -1.127 19383 5590 1 20 . 1 1 554 554 LEU CA C 554 56.145 56.145 58.221 -2.076 19383 5591 1 20 . 1 1 554 554 LEU CB C 554 42.513 42.513 41.979 0.534 19383 5592 1 20 . 1 1 554 554 LEU H H 554 8.081 8.081 7.441 0.640 19383 5593 1 20 . 1 1 555 555 ILE N N 555 117.390 117.390 118.441 -1.051 19383 5594 1 20 . 1 1 555 555 ILE HA H 555 3.954 3.954 4.061 -0.107 19383 5595 1 20 . 1 1 555 555 ILE C C 555 178.242 178.242 176.312 1.930 19383 5596 1 20 . 1 1 555 555 ILE CA C 555 61.929 61.929 59.040 2.889 19383 5597 1 20 . 1 1 555 555 ILE CB C 555 38.317 38.317 34.514 3.803 19383 5598 1 20 . 1 1 555 555 ILE H H 555 7.976 7.976 7.837 0.139 19383 5599 1 20 . 1 1 556 556 CYS N N 556 119.495 119.495 122.948 -3.453 19383 5600 1 20 . 1 1 556 556 CYS HA H 556 4.411 4.411 4.263 0.148 19383 5601 1 20 . 1 1 556 556 CYS C C 556 178.872 178.872 176.727 2.145 19383 5602 1 20 . 1 1 556 556 CYS CA C 556 56.233 56.233 61.023 -4.790 19383 5603 1 20 . 1 1 556 556 CYS CB C 556 41.438 41.438 26.506 14.932 19383 5604 1 20 . 1 1 556 556 CYS H H 556 8.214 8.214 8.694 -0.480 19383 5605 1 20 . 1 1 557 557 GLY N N 557 108.419 108.419 109.111 -0.692 19383 5606 1 20 . 1 1 557 557 GLY C C 557 180.393 180.393 175.987 4.406 19383 5607 1 20 . 1 1 557 557 GLY CA C 557 45.701 45.701 47.322 -1.621 19383 5608 1 20 . 1 1 557 557 GLY H H 557 8.141 8.141 8.745 -0.604 19383 5609 1 20 . 1 1 558 558 LEU N N 558 120.318 120.318 118.694 1.624 19383 5610 1 20 . 1 1 558 558 LEU HA H 558 4.237 4.237 4.175 0.062 19383 5611 1 20 . 1 1 558 558 LEU C C 558 177.398 177.398 177.652 -0.254 19383 5612 1 20 . 1 1 558 558 LEU CA C 558 55.730 55.730 56.227 -0.497 19383 5613 1 20 . 1 1 558 558 LEU CB C 558 42.585 42.585 40.747 1.838 19383 5614 1 20 . 1 1 558 558 LEU H H 558 7.837 7.837 7.325 0.512 19383 5615 1 20 . 1 1 559 559 ARG N N 559 119.828 119.828 120.968 -1.140 19383 5616 1 20 . 1 1 559 559 ARG HA H 559 4.245 4.245 4.109 0.136 19383 5617 1 20 . 1 1 559 559 ARG C C 559 179.052 179.052 176.202 2.850 19383 5618 1 20 . 1 1 559 559 ARG CA C 559 55.773 55.773 56.240 -0.467 19383 5619 1 20 . 1 1 559 559 ARG CB C 559 31.191 31.191 29.523 1.668 19383 5620 1 20 . 1 1 559 559 ARG H H 559 8.007 8.007 8.007 -0.000 19383 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 46 3.083 -0.483 3.079 19383 2 1 1 "Average Difference" HA 45 0.306 0.168 0.259 19383 3 1 1 "Average Difference" C 46 3.041 -1.564 2.637 19383 4 1 1 "Average Difference" CA 52 1.855 0.167 1.865 19383 5 1 1 "Average Difference" CB 44 3.550 -0.905 3.473 19383 6 1 1 "Average Difference" HN 48 0.371 0.055 0.371 19383 7 1 2 "Average Difference" N 46 2.845 -0.568 2.819 19383 8 1 2 "Average Difference" HA 45 0.324 0.163 0.283 19383 9 1 2 "Average Difference" C 46 3.013 -1.596 2.584 19383 10 1 2 "Average Difference" CA 52 1.843 0.155 1.854 19383 11 1 2 "Average Difference" CB 44 3.583 -0.942 3.497 19383 12 1 2 "Average Difference" HN 48 0.433 -0.022 0.437 19383 13 1 3 "Average Difference" N 46 2.870 -0.656 2.825 19383 14 1 3 "Average Difference" HA 45 0.328 0.170 0.284 19383 15 1 3 "Average Difference" C 46 3.063 -1.662 2.602 19383 16 1 3 "Average Difference" CA 52 1.687 0.098 1.701 19383 17 1 3 "Average Difference" CB 44 3.466 -0.896 3.387 19383 18 1 3 "Average Difference" HN 48 0.383 -0.021 0.387 19383 19 1 4 "Average Difference" N 46 2.844 -0.703 2.786 19383 20 1 4 "Average Difference" HA 45 0.375 0.204 0.318 19383 21 1 4 "Average Difference" C 46 2.968 -1.607 2.523 19383 22 1 4 "Average Difference" CA 52 2.100 0.145 2.115 19383 23 1 4 "Average Difference" CB 44 3.571 -0.878 3.502 19383 24 1 4 "Average Difference" HN 48 0.400 -0.005 0.405 19383 25 1 5 "Average Difference" N 46 2.766 -0.507 2.749 19383 26 1 5 "Average Difference" HA 45 0.314 0.167 0.269 19383 27 1 5 "Average Difference" C 46 3.000 -1.597 2.568 19383 28 1 5 "Average Difference" CA 52 1.791 0.151 1.802 19383 29 1 5 "Average Difference" CB 44 3.561 -0.917 3.481 19383 30 1 5 "Average Difference" HN 48 0.440 -0.005 0.445 19383 31 1 6 "Average Difference" N 46 3.191 -0.594 3.170 19383 32 1 6 "Average Difference" HA 45 0.302 0.180 0.246 19383 33 1 6 "Average Difference" C 46 3.090 -1.652 2.641 19383 34 1 6 "Average Difference" CA 52 1.816 0.167 1.826 19383 35 1 6 "Average Difference" CB 44 3.589 -0.931 3.506 19383 36 1 6 "Average Difference" HN 48 0.430 0.063 0.430 19383 37 1 7 "Average Difference" N 46 2.940 -0.744 2.876 19383 38 1 7 "Average Difference" HA 45 0.317 0.143 0.286 19383 39 1 7 "Average Difference" C 46 2.933 -1.598 2.487 19383 40 1 7 "Average Difference" CA 52 1.977 0.135 1.991 19383 41 1 7 "Average Difference" CB 44 3.589 -0.973 3.494 19383 42 1 7 "Average Difference" HN 48 0.394 -0.030 0.397 19383 43 1 8 "Average Difference" N 46 3.074 -0.737 3.017 19383 44 1 8 "Average Difference" HA 45 0.312 0.134 0.285 19383 45 1 8 "Average Difference" C 46 3.083 -1.648 2.634 19383 46 1 8 "Average Difference" CA 52 1.842 0.213 1.848 19383 47 1 8 "Average Difference" CB 44 3.567 -0.994 3.465 19383 48 1 8 "Average Difference" HN 48 0.445 -0.007 0.450 19383 49 1 9 "Average Difference" N 46 3.092 -0.881 2.997 19383 50 1 9 "Average Difference" HA 45 0.306 0.158 0.266 19383 51 1 9 "Average Difference" C 46 2.978 -1.587 2.548 19383 52 1 9 "Average Difference" CA 52 1.849 0.066 1.866 19383 53 1 9 "Average Difference" CB 44 3.566 -0.881 3.495 19383 54 1 9 "Average Difference" HN 48 0.401 -0.048 0.402 19383 55 1 10 "Average Difference" N 46 2.856 -0.724 2.793 19383 56 1 10 "Average Difference" HA 45 0.318 0.190 0.258 19383 57 1 10 "Average Difference" C 46 3.093 -1.629 2.658 19383 58 1 10 "Average Difference" CA 52 1.811 0.079 1.827 19383 59 1 10 "Average Difference" CB 44 3.579 -0.923 3.498 19383 60 1 10 "Average Difference" HN 48 0.428 -0.033 0.431 19383 61 1 11 "Average Difference" N 46 3.008 -0.558 2.988 19383 62 1 11 "Average Difference" HA 45 0.303 0.140 0.271 19383 63 1 11 "Average Difference" C 46 3.057 -1.642 2.607 19383 64 1 11 "Average Difference" CA 52 1.845 0.240 1.847 19383 65 1 11 "Average Difference" CB 44 3.490 -0.960 3.395 19383 66 1 11 "Average Difference" HN 48 0.374 -0.001 0.378 19383 67 1 12 "Average Difference" N 46 2.724 -0.489 2.709 19383 68 1 12 "Average Difference" HA 45 0.333 0.194 0.274 19383 69 1 12 "Average Difference" C 46 3.036 -1.640 2.584 19383 70 1 12 "Average Difference" CA 52 1.849 0.100 1.865 19383 71 1 12 "Average Difference" CB 44 3.592 -0.975 3.497 19383 72 1 12 "Average Difference" HN 48 0.396 -0.022 0.399 19383 73 1 13 "Average Difference" N 46 2.869 -0.616 2.834 19383 74 1 13 "Average Difference" HA 45 0.341 0.232 0.253 19383 75 1 13 "Average Difference" C 46 3.058 -1.709 2.563 19383 76 1 13 "Average Difference" CA 52 1.713 -0.026 1.730 19383 77 1 13 "Average Difference" CB 44 3.414 -0.988 3.306 19383 78 1 13 "Average Difference" HN 48 0.355 0.053 0.355 19383 79 1 14 "Average Difference" N 46 3.283 -0.886 3.196 19383 80 1 14 "Average Difference" HA 45 0.301 0.155 0.261 19383 81 1 14 "Average Difference" C 46 3.039 -1.645 2.584 19383 82 1 14 "Average Difference" CA 52 1.903 0.056 1.921 19383 83 1 14 "Average Difference" CB 44 3.596 -1.050 3.479 19383 84 1 14 "Average Difference" HN 48 0.469 -0.019 0.474 19383 85 1 15 "Average Difference" N 46 3.226 -0.655 3.193 19383 86 1 15 "Average Difference" HA 45 0.329 0.166 0.287 19383 87 1 15 "Average Difference" C 46 3.078 -1.611 2.652 19383 88 1 15 "Average Difference" CA 52 1.918 0.027 1.936 19383 89 1 15 "Average Difference" CB 44 3.631 -0.896 3.559 19383 90 1 15 "Average Difference" HN 48 0.422 -0.040 0.425 19383 91 1 16 "Average Difference" N 46 3.139 -0.807 3.067 19383 92 1 16 "Average Difference" HA 45 0.307 0.130 0.281 19383 93 1 16 "Average Difference" C 46 3.060 -1.677 2.587 19383 94 1 16 "Average Difference" CA 52 1.805 0.057 1.822 19383 95 1 16 "Average Difference" CB 44 3.615 -1.071 3.492 19383 96 1 16 "Average Difference" HN 48 0.439 -0.027 0.443 19383 97 1 17 "Average Difference" N 46 3.127 -0.364 3.140 19383 98 1 17 "Average Difference" HA 45 0.309 0.150 0.273 19383 99 1 17 "Average Difference" C 46 2.956 -1.593 2.518 19383 100 1 17 "Average Difference" CA 52 1.991 0.205 2.000 19383 101 1 17 "Average Difference" CB 44 3.518 -0.932 3.432 19383 102 1 17 "Average Difference" HN 48 0.369 0.032 0.371 19383 103 1 18 "Average Difference" N 46 3.033 -0.473 3.029 19383 104 1 18 "Average Difference" HA 45 0.311 0.177 0.259 19383 105 1 18 "Average Difference" C 46 2.998 -1.672 2.516 19383 106 1 18 "Average Difference" CA 52 1.871 0.042 1.889 19383 107 1 18 "Average Difference" CB 44 3.587 -0.962 3.495 19383 108 1 18 "Average Difference" HN 48 0.390 0.000 0.394 19383 109 1 19 "Average Difference" N 46 3.139 -0.994 3.010 19383 110 1 19 "Average Difference" HA 45 0.302 0.163 0.257 19383 111 1 19 "Average Difference" C 46 3.051 -1.668 2.582 19383 112 1 19 "Average Difference" CA 52 1.706 0.102 1.719 19383 113 1 19 "Average Difference" CB 44 3.574 -0.918 3.494 19383 114 1 19 "Average Difference" HN 48 0.369 -0.012 0.373 19383 115 1 20 "Average Difference" N 46 3.247 -0.858 3.166 19383 116 1 20 "Average Difference" HA 45 0.311 0.189 0.250 19383 117 1 20 "Average Difference" C 46 3.024 -1.644 2.566 19383 118 1 20 "Average Difference" CA 52 1.959 0.114 1.974 19383 119 1 20 "Average Difference" CB 44 3.575 -0.892 3.502 19383 120 1 20 "Average Difference" HN 48 0.425 -0.032 0.428 19383 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 19383 _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 1 508 508 GLN N N 508 120.721 120.721 120.683 0.038 19383 2 1 . 1 1 508 508 GLN HA H 508 4.607 4.607 4.684 -0.077 19383 3 1 . 1 1 508 508 GLN CA C 508 53.627 53.627 54.210 -0.583 19383 4 1 . 1 1 508 508 GLN CB C 508 28.849 28.849 29.408 -0.559 19383 5 1 . 1 1 508 508 GLN H H 508 8.575 8.575 8.483 0.092 19383 6 1 . 1 1 509 509 PRO HA H 509 4.329 4.329 4.442 -0.113 19383 7 1 . 1 1 509 509 PRO C C 509 177.740 177.740 176.860 0.880 19383 8 1 . 1 1 509 509 PRO CA C 509 63.094 63.094 63.710 -0.616 19383 9 1 . 1 1 509 509 PRO CB C 509 32.083 32.083 32.205 -0.122 19383 10 1 . 1 1 510 510 LYS N N 510 121.228 121.228 114.812 6.416 19383 11 1 . 1 1 510 510 LYS HA H 510 4.233 4.233 4.140 0.093 19383 12 1 . 1 1 510 510 LYS C C 510 177.951 177.951 175.592 2.359 19383 13 1 . 1 1 510 510 LYS CA C 510 55.910 55.910 56.795 -0.885 19383 14 1 . 1 1 510 510 LYS CB C 510 32.985 32.985 31.590 1.395 19383 15 1 . 1 1 510 510 LYS H H 510 8.330 8.330 8.203 0.127 19383 16 1 . 1 1 511 511 CYS N N 511 119.374 119.374 119.286 0.088 19383 17 1 . 1 1 511 511 CYS HA H 511 4.562 4.562 4.311 0.251 19383 18 1 . 1 1 511 511 CYS C C 511 180.885 180.885 174.272 6.613 19383 19 1 . 1 1 511 511 CYS CA C 511 55.085 55.085 59.809 -4.724 19383 20 1 . 1 1 511 511 CYS CB C 511 41.809 41.809 25.436 16.373 19383 21 1 . 1 1 511 511 CYS H H 511 8.284 8.284 8.393 -0.109 19383 22 1 . 1 1 512 512 ASN N N 512 122.292 122.292 120.627 1.665 19383 23 1 . 1 1 512 512 ASN HA H 512 4.898 4.898 5.008 -0.110 19383 24 1 . 1 1 512 512 ASN CA C 512 50.921 50.921 51.334 -0.413 19383 25 1 . 1 1 512 512 ASN CB C 512 39.105 39.105 39.937 -0.833 19383 26 1 . 1 1 512 512 ASN H H 512 8.614 8.614 8.388 0.226 19383 27 1 . 1 1 513 513 PRO HA H 513 4.294 4.294 4.776 -0.482 19383 28 1 . 1 1 513 513 PRO C C 513 177.920 177.920 176.478 1.442 19383 29 1 . 1 1 513 513 PRO CA C 513 63.373 63.373 63.521 -0.148 19383 30 1 . 1 1 513 513 PRO CB C 513 31.880 31.880 31.628 0.252 19383 31 1 . 1 1 514 514 ASN N N 514 117.476 117.476 116.783 0.693 19383 32 1 . 1 1 514 514 ASN HA H 514 4.557 4.557 4.662 -0.105 19383 33 1 . 1 1 514 514 ASN C C 514 179.369 179.369 175.598 3.771 19383 34 1 . 1 1 514 514 ASN CA C 514 53.454 53.454 54.090 -0.636 19383 35 1 . 1 1 514 514 ASN CB C 514 38.954 38.954 39.099 -0.145 19383 36 1 . 1 1 514 514 ASN H H 514 8.285 8.285 8.294 -0.009 19383 37 1 . 1 1 515 515 LEU N N 515 121.054 121.054 122.179 -1.125 19383 38 1 . 1 1 515 515 LEU HA H 515 4.154 4.154 4.512 -0.358 19383 39 1 . 1 1 515 515 LEU C C 515 177.719 177.719 176.213 1.506 19383 40 1 . 1 1 515 515 LEU CA C 515 55.268 55.268 54.060 1.208 19383 41 1 . 1 1 515 515 LEU CB C 515 42.079 42.079 40.193 1.886 19383 42 1 . 1 1 515 515 LEU H H 515 7.770 7.770 7.525 0.245 19383 43 1 . 1 1 516 516 HIS N N 516 117.461 117.461 120.133 -2.672 19383 44 1 . 1 1 516 516 HIS HA H 516 4.451 4.451 4.434 0.017 19383 45 1 . 1 1 516 516 HIS C C 516 179.871 179.871 175.435 4.436 19383 46 1 . 1 1 516 516 HIS CA C 516 55.414 55.414 57.721 -2.307 19383 47 1 . 1 1 516 516 HIS CB C 516 28.867 28.867 30.082 -1.215 19383 48 1 . 1 1 516 516 HIS H H 516 8.126 8.126 7.637 0.489 19383 49 1 . 1 1 517 517 TYR N N 517 120.302 120.302 118.605 1.697 19383 50 1 . 1 1 517 517 TYR HA H 517 4.222 4.222 4.317 -0.095 19383 51 1 . 1 1 517 517 TYR C C 517 178.883 178.883 176.505 2.378 19383 52 1 . 1 1 517 517 TYR CA C 517 59.410 59.410 60.005 -0.595 19383 53 1 . 1 1 517 517 TYR CB C 517 38.843 38.843 37.981 0.862 19383 54 1 . 1 1 517 517 TYR H H 517 8.101 8.101 7.934 0.167 19383 55 1 . 1 1 518 518 TRP N N 518 118.660 118.660 117.208 1.452 19383 56 1 . 1 1 518 518 TRP HA H 518 4.569 4.569 4.883 -0.314 19383 57 1 . 1 1 518 518 TRP C C 518 178.468 178.468 177.233 1.235 19383 58 1 . 1 1 518 518 TRP CA C 518 57.501 57.501 57.691 -0.189 19383 59 1 . 1 1 518 518 TRP CB C 518 29.619 29.619 30.796 -1.177 19383 60 1 . 1 1 518 518 TRP H H 518 7.665 7.665 8.076 -0.411 19383 61 1 . 1 1 519 519 THR N N 519 112.373 112.373 110.919 1.454 19383 62 1 . 1 1 519 519 THR HA H 519 4.351 4.351 3.796 0.555 19383 63 1 . 1 1 519 519 THR C C 519 179.594 179.594 175.295 4.299 19383 64 1 . 1 1 519 519 THR CA C 519 61.654 61.654 64.982 -3.328 19383 65 1 . 1 1 519 519 THR CB C 519 69.859 69.859 67.474 2.385 19383 66 1 . 1 1 519 519 THR H H 519 7.894 7.894 8.053 -0.159 19383 67 1 . 1 1 520 520 THR N N 520 114.438 114.438 116.477 -2.039 19383 68 1 . 1 1 520 520 THR HA H 520 4.256 4.256 4.367 -0.111 19383 69 1 . 1 1 520 520 THR C C 520 179.419 179.419 175.866 3.553 19383 70 1 . 1 1 520 520 THR CA C 520 62.019 62.019 64.072 -2.053 19383 71 1 . 1 1 520 520 THR CB C 520 69.709 69.709 68.863 0.846 19383 72 1 . 1 1 520 520 THR H H 520 7.957 7.957 8.585 -0.628 19383 73 1 . 1 1 521 521 GLN N N 521 121.453 121.453 121.636 -0.183 19383 74 1 . 1 1 521 521 GLN HA H 521 4.175 4.175 4.184 -0.009 19383 75 1 . 1 1 521 521 GLN C C 521 178.345 178.345 176.701 1.645 19383 76 1 . 1 1 521 521 GLN CA C 521 56.302 56.302 58.761 -2.459 19383 77 1 . 1 1 521 521 GLN CB C 521 29.118 29.118 28.852 0.266 19383 78 1 . 1 1 521 521 GLN H H 521 8.224 8.224 8.515 -0.291 19383 79 1 . 1 1 522 522 ASP N N 522 120.227 120.227 117.633 2.594 19383 80 1 . 1 1 522 522 ASP HA H 522 4.461 4.461 4.708 -0.247 19383 81 1 . 1 1 522 522 ASP C C 522 177.838 177.838 177.249 0.589 19383 82 1 . 1 1 522 522 ASP CA C 522 54.741 54.741 55.064 -0.323 19383 83 1 . 1 1 522 522 ASP CB C 522 40.847 40.847 41.097 -0.250 19383 84 1 . 1 1 522 522 ASP H H 522 8.155 8.155 7.790 0.365 19383 85 1 . 1 1 523 523 GLU N N 523 120.511 120.511 119.204 1.307 19383 86 1 . 1 1 523 523 GLU HA H 523 4.102 4.102 4.129 -0.027 19383 87 1 . 1 1 523 523 GLU C C 523 177.165 177.165 177.177 -0.012 19383 88 1 . 1 1 523 523 GLU CA C 523 57.161 57.161 58.168 -1.007 19383 89 1 . 1 1 523 523 GLU CB C 523 29.153 29.153 29.524 -0.371 19383 90 1 . 1 1 523 523 GLU H H 523 8.250 8.250 7.842 0.408 19383 91 1 . 1 1 524 524 GLY N N 524 108.395 108.395 105.136 3.259 19383 92 1 . 1 1 524 524 GLY C C 524 179.999 179.999 173.544 6.455 19383 93 1 . 1 1 524 524 GLY CA C 524 45.791 45.791 44.688 1.103 19383 94 1 . 1 1 524 524 GLY H H 524 8.308 8.308 7.705 0.603 19383 95 1 . 1 1 525 525 ALA N N 525 123.026 123.026 123.372 -0.346 19383 96 1 . 1 1 525 525 ALA HA H 525 4.139 4.139 4.505 -0.366 19383 97 1 . 1 1 525 525 ALA C C 525 176.642 176.642 177.262 -0.620 19383 98 1 . 1 1 525 525 ALA CA C 525 52.706 52.706 52.659 0.047 19383 99 1 . 1 1 525 525 ALA CB C 525 19.148 19.148 20.185 -1.037 19383 100 1 . 1 1 525 525 ALA H H 525 7.884 7.884 7.768 0.116 19383 101 1 . 1 1 526 526 ALA N N 526 121.593 121.593 121.652 -0.059 19383 102 1 . 1 1 526 526 ALA HA H 526 4.164 4.164 4.723 -0.559 19383 103 1 . 1 1 526 526 ALA C C 526 176.320 176.320 176.809 -0.489 19383 104 1 . 1 1 526 526 ALA CA C 526 52.788 52.788 52.086 0.702 19383 105 1 . 1 1 526 526 ALA CB C 526 19.055 19.055 19.868 -0.813 19383 106 1 . 1 1 526 526 ALA H H 526 8.027 8.027 7.916 0.111 19383 107 1 . 1 1 527 527 ILE N N 527 117.907 117.907 114.373 3.534 19383 108 1 . 1 1 527 527 ILE HA H 527 3.874 3.874 4.293 -0.419 19383 109 1 . 1 1 527 527 ILE C C 527 177.983 177.983 177.252 0.731 19383 110 1 . 1 1 527 527 ILE CA C 527 61.894 61.894 60.391 1.503 19383 111 1 . 1 1 527 527 ILE CB C 527 38.485 38.485 37.725 0.759 19383 112 1 . 1 1 527 527 ILE H H 527 7.913 7.913 7.698 0.215 19383 113 1 . 1 1 528 528 GLY N N 528 109.328 109.328 108.976 0.352 19383 114 1 . 1 1 528 528 GLY C C 528 180.040 180.040 175.308 4.732 19383 115 1 . 1 1 528 528 GLY CA C 528 45.877 45.877 46.856 -0.979 19383 116 1 . 1 1 528 528 GLY H H 528 8.045 8.045 8.519 -0.474 19383 117 1 . 1 1 529 529 LEU N N 529 119.297 119.297 116.477 2.820 19383 118 1 . 1 1 529 529 LEU HA H 529 4.076 4.076 4.634 -0.558 19383 119 1 . 1 1 529 529 LEU C C 529 177.413 177.413 177.324 0.089 19383 120 1 . 1 1 529 529 LEU CA C 529 55.759 55.759 55.930 -0.171 19383 121 1 . 1 1 529 529 LEU CB C 529 42.321 42.321 42.084 0.237 19383 122 1 . 1 1 529 529 LEU H H 529 8.083 8.083 7.534 0.549 19383 123 1 . 1 1 530 530 ALA N N 530 120.355 120.355 119.585 0.770 19383 124 1 . 1 1 530 530 ALA HA H 530 4.035 4.035 4.550 -0.515 19383 125 1 . 1 1 530 530 ALA C C 530 177.142 177.142 178.419 -1.277 19383 126 1 . 1 1 530 530 ALA CA C 530 53.814 53.814 51.851 1.963 19383 127 1 . 1 1 530 530 ALA CB C 530 18.780 18.780 19.344 -0.564 19383 128 1 . 1 1 530 530 ALA H H 530 8.015 8.015 7.541 0.474 19383 129 1 . 1 1 531 531 TRP N N 531 114.575 114.575 121.906 -7.331 19383 130 1 . 1 1 531 531 TRP HA H 531 4.589 4.589 4.610 -0.021 19383 131 1 . 1 1 531 531 TRP C C 531 177.968 177.968 175.015 2.953 19383 132 1 . 1 1 531 531 TRP CA C 531 56.378 56.378 57.874 -1.496 19383 133 1 . 1 1 531 531 TRP CB C 531 29.409 29.409 28.799 0.610 19383 134 1 . 1 1 531 531 TRP H H 531 7.398 7.398 8.388 -0.990 19383 135 1 . 1 1 532 532 ILE N N 532 121.501 121.501 113.139 8.362 19383 136 1 . 1 1 532 532 ILE HA H 532 3.768 3.768 4.473 -0.705 19383 137 1 . 1 1 532 532 ILE CA C 532 63.813 63.813 57.616 6.197 19383 138 1 . 1 1 532 532 ILE H H 532 7.197 7.197 7.521 -0.324 19383 139 1 . 1 1 533 533 PRO HA H 533 4.169 4.169 4.330 -0.161 19383 140 1 . 1 1 533 533 PRO CA C 533 64.431 64.431 63.597 0.833 19383 141 1 . 1 1 533 533 PRO CB C 533 32.238 32.238 30.922 1.316 19383 142 1 . 1 1 534 534 TYR HA H 534 4.086 4.086 4.396 -0.310 19383 143 1 . 1 1 534 534 TYR CA C 534 60.819 60.819 59.634 1.186 19383 144 1 . 1 1 534 534 TYR CB C 534 38.437 38.437 38.940 -0.503 19383 145 1 . 1 1 534 534 TYR H H 534 8.066 8.066 8.128 -0.062 19383 146 1 . 1 1 535 535 PHE HA H 535 4.316 4.316 4.375 -0.059 19383 147 1 . 1 1 535 535 PHE C C 535 175.669 175.669 176.436 -0.767 19383 148 1 . 1 1 535 535 PHE CA C 535 58.885 58.885 59.251 -0.366 19383 149 1 . 1 1 535 535 PHE CB C 535 40.304 40.304 39.443 0.861 19383 150 1 . 1 1 535 535 PHE H H 535 8.123 8.123 8.239 -0.116 19383 151 1 . 1 1 536 536 GLY N N 536 107.103 107.103 106.578 0.525 19383 152 1 . 1 1 536 536 GLY CA C 536 46.510 46.510 44.497 2.013 19383 153 1 . 1 1 536 536 GLY H H 536 8.031 8.031 7.922 0.109 19383 154 1 . 1 1 537 537 PRO HA H 537 4.210 4.210 4.503 -0.293 19383 155 1 . 1 1 537 537 PRO C C 537 175.183 175.183 176.631 -1.448 19383 156 1 . 1 1 537 537 PRO CA C 537 64.563 64.563 62.561 2.002 19383 157 1 . 1 1 537 537 PRO CB C 537 31.618 31.618 32.060 -0.442 19383 158 1 . 1 1 538 538 ALA N N 538 120.228 120.228 121.475 -1.247 19383 159 1 . 1 1 538 538 ALA HA H 538 4.095 4.095 4.044 0.051 19383 160 1 . 1 1 538 538 ALA C C 538 175.268 175.268 178.928 -3.660 19383 161 1 . 1 1 538 538 ALA CA C 538 54.373 54.373 54.306 0.067 19383 162 1 . 1 1 538 538 ALA CB C 538 18.694 18.694 18.481 0.213 19383 163 1 . 1 1 538 538 ALA H H 538 7.799 7.799 8.265 -0.466 19383 164 1 . 1 1 539 539 ALA N N 539 120.412 120.412 119.428 0.984 19383 165 1 . 1 1 539 539 ALA HA H 539 3.883 3.883 4.079 -0.196 19383 166 1 . 1 1 539 539 ALA C C 539 175.516 175.516 179.705 -4.189 19383 167 1 . 1 1 539 539 ALA CA C 539 54.526 54.526 54.597 -0.071 19383 168 1 . 1 1 539 539 ALA CB C 539 18.780 18.780 17.087 1.693 19383 169 1 . 1 1 539 539 ALA H H 539 8.208 8.208 8.327 -0.119 19383 170 1 . 1 1 540 540 GLU N N 540 116.209 116.209 119.767 -3.558 19383 171 1 . 1 1 540 540 GLU HA H 540 3.933 3.933 4.088 -0.155 19383 172 1 . 1 1 540 540 GLU C C 540 176.525 176.525 177.345 -0.820 19383 173 1 . 1 1 540 540 GLU CA C 540 58.522 58.522 59.185 -0.663 19383 174 1 . 1 1 540 540 GLU CB C 540 28.907 28.907 29.517 -0.610 19383 175 1 . 1 1 540 540 GLU H H 540 8.162 8.162 8.697 -0.535 19383 176 1 . 1 1 541 541 GLY N N 541 107.297 107.297 104.249 3.048 19383 177 1 . 1 1 541 541 GLY C C 541 178.784 178.784 174.964 3.820 19383 178 1 . 1 1 541 541 GLY CA C 541 45.692 45.692 45.161 0.531 19383 179 1 . 1 1 541 541 GLY H H 541 8.033 8.033 8.329 -0.296 19383 180 1 . 1 1 542 542 ILE N N 542 121.066 121.066 117.261 3.805 19383 181 1 . 1 1 542 542 ILE HA H 542 3.765 3.765 3.913 -0.148 19383 182 1 . 1 1 542 542 ILE C C 542 176.804 176.804 175.884 0.920 19383 183 1 . 1 1 542 542 ILE CA C 542 63.871 63.871 61.922 1.949 19383 184 1 . 1 1 542 542 ILE CB C 542 38.075 38.075 37.504 0.571 19383 185 1 . 1 1 542 542 ILE H H 542 7.870 7.870 7.631 0.239 19383 186 1 . 1 1 543 543 TYR N N 543 120.347 120.347 119.411 0.936 19383 187 1 . 1 1 543 543 TYR HA H 543 4.144 4.144 4.535 -0.390 19383 188 1 . 1 1 543 543 TYR C C 543 179.780 179.780 175.977 3.803 19383 189 1 . 1 1 543 543 TYR CA C 543 60.629 60.629 59.011 1.618 19383 190 1 . 1 1 543 543 TYR CB C 543 38.425 38.425 39.853 -1.428 19383 191 1 . 1 1 543 543 TYR H H 543 8.066 8.066 8.207 -0.141 19383 192 1 . 1 1 544 544 ALA N N 544 119.787 119.787 121.670 -1.883 19383 193 1 . 1 1 544 544 ALA HA H 544 3.926 3.926 4.396 -0.470 19383 194 1 . 1 1 544 544 ALA C C 544 175.014 175.014 177.444 -2.430 19383 195 1 . 1 1 544 544 ALA CA C 544 54.262 54.262 53.306 0.956 19383 196 1 . 1 1 544 544 ALA CB C 544 18.991 18.991 19.831 -0.840 19383 197 1 . 1 1 544 544 ALA H H 544 7.910 7.910 7.866 0.044 19383 198 1 . 1 1 545 545 GLU N N 545 115.906 115.906 118.300 -2.394 19383 199 1 . 1 1 545 545 GLU HA H 545 4.056 4.056 4.396 -0.340 19383 200 1 . 1 1 545 545 GLU C C 545 176.541 176.541 177.865 -1.324 19383 201 1 . 1 1 545 545 GLU CA C 545 56.978 56.978 56.218 0.760 19383 202 1 . 1 1 545 545 GLU CB C 545 29.625 29.625 31.744 -2.119 19383 203 1 . 1 1 545 545 GLU H H 545 7.866 7.866 7.948 -0.082 19383 204 1 . 1 1 546 546 GLY N N 546 107.293 107.293 109.166 -1.873 19383 205 1 . 1 1 546 546 GLY C C 546 180.358 180.358 174.288 6.070 19383 206 1 . 1 1 546 546 GLY CA C 546 45.645 45.645 46.845 -1.200 19383 207 1 . 1 1 546 546 GLY H H 546 8.019 8.019 8.330 -0.311 19383 208 1 . 1 1 547 547 LEU N N 547 121.469 121.469 114.125 7.344 19383 209 1 . 1 1 547 547 LEU HA H 547 4.147 4.147 4.455 -0.307 19383 210 1 . 1 1 547 547 LEU C C 547 176.730 176.730 176.232 0.498 19383 211 1 . 1 1 547 547 LEU CA C 547 55.851 55.851 56.242 -0.391 19383 212 1 . 1 1 547 547 LEU CB C 547 42.514 42.514 41.836 0.678 19383 213 1 . 1 1 547 547 LEU H H 547 7.892 7.892 7.642 0.250 19383 214 1 . 1 1 548 548 MET N N 548 116.092 116.092 119.319 -3.227 19383 215 1 . 1 1 548 548 MET HA H 548 4.218 4.218 4.509 -0.291 19383 216 1 . 1 1 548 548 MET C C 548 177.832 177.832 177.126 0.706 19383 217 1 . 1 1 548 548 MET CA C 548 55.861 55.861 55.570 0.291 19383 218 1 . 1 1 548 548 MET CB C 548 32.338 32.338 32.689 -0.351 19383 219 1 . 1 1 548 548 MET H H 548 7.995 7.995 8.207 -0.212 19383 220 1 . 1 1 549 549 HIS N N 549 116.959 116.959 116.526 0.433 19383 221 1 . 1 1 549 549 HIS HA H 549 4.577 4.577 4.618 -0.041 19383 222 1 . 1 1 549 549 HIS C C 549 179.852 179.852 175.278 4.574 19383 223 1 . 1 1 549 549 HIS CA C 549 55.656 55.656 57.475 -1.819 19383 224 1 . 1 1 549 549 HIS CB C 549 28.847 28.847 28.876 -0.029 19383 225 1 . 1 1 549 549 HIS H H 549 8.074 8.074 8.375 -0.301 19383 226 1 . 1 1 550 550 ASN N N 550 118.599 118.599 116.430 2.169 19383 227 1 . 1 1 550 550 ASN HA H 550 4.611 4.611 4.677 -0.066 19383 228 1 . 1 1 550 550 ASN C C 550 178.753 178.753 175.204 3.549 19383 229 1 . 1 1 550 550 ASN CA C 550 53.651 53.651 54.074 -0.423 19383 230 1 . 1 1 550 550 ASN CB C 550 38.884 38.884 39.755 -0.871 19383 231 1 . 1 1 550 550 ASN H H 550 8.235 8.235 7.777 0.458 19383 232 1 . 1 1 551 551 GLN N N 551 119.902 119.902 119.616 0.286 19383 233 1 . 1 1 551 551 GLN HA H 551 4.203 4.203 4.179 0.024 19383 234 1 . 1 1 551 551 GLN C C 551 178.390 178.390 175.527 2.863 19383 235 1 . 1 1 551 551 GLN CA C 551 56.276 56.276 55.958 0.318 19383 236 1 . 1 1 551 551 GLN CB C 551 28.931 28.931 26.645 2.286 19383 237 1 . 1 1 551 551 GLN H H 551 8.359 8.359 7.722 0.637 19383 238 1 . 1 1 552 552 ASP N N 552 119.524 119.524 118.161 1.363 19383 239 1 . 1 1 552 552 ASP HA H 552 4.448 4.448 4.851 -0.403 19383 240 1 . 1 1 552 552 ASP C C 552 177.522 177.522 176.987 0.535 19383 241 1 . 1 1 552 552 ASP CA C 552 54.856 54.856 53.115 1.741 19383 242 1 . 1 1 552 552 ASP CB C 552 40.814 40.814 40.802 0.012 19383 243 1 . 1 1 552 552 ASP H H 552 8.190 8.190 8.600 -0.410 19383 244 1 . 1 1 553 553 GLY N N 553 108.043 108.043 106.847 1.196 19383 245 1 . 1 1 553 553 GLY C C 553 179.757 179.757 175.299 4.458 19383 246 1 . 1 1 553 553 GLY CA C 553 45.626 45.626 45.418 0.208 19383 247 1 . 1 1 553 553 GLY H H 553 8.130 8.130 8.076 0.054 19383 248 1 . 1 1 554 554 LEU N N 554 121.485 121.485 121.952 -0.467 19383 249 1 . 1 1 554 554 LEU HA H 554 4.168 4.168 4.104 0.064 19383 250 1 . 1 1 554 554 LEU C C 554 176.732 176.732 178.137 -1.405 19383 251 1 . 1 1 554 554 LEU CA C 554 56.145 56.145 57.838 -1.693 19383 252 1 . 1 1 554 554 LEU CB C 554 42.513 42.513 41.938 0.575 19383 253 1 . 1 1 554 554 LEU H H 554 8.081 8.081 7.619 0.462 19383 254 1 . 1 1 555 555 ILE N N 555 117.390 117.390 118.569 -1.179 19383 255 1 . 1 1 555 555 ILE HA H 555 3.954 3.954 4.090 -0.136 19383 256 1 . 1 1 555 555 ILE C C 555 178.242 178.242 176.370 1.872 19383 257 1 . 1 1 555 555 ILE CA C 555 61.929 61.929 59.085 2.844 19383 258 1 . 1 1 555 555 ILE CB C 555 38.317 38.317 34.648 3.669 19383 259 1 . 1 1 555 555 ILE H H 555 7.976 7.976 7.849 0.127 19383 260 1 . 1 1 556 556 CYS N N 556 119.495 119.495 121.813 -2.318 19383 261 1 . 1 1 556 556 CYS HA H 556 4.411 4.411 4.318 0.093 19383 262 1 . 1 1 556 556 CYS C C 556 178.872 178.872 176.789 2.083 19383 263 1 . 1 1 556 556 CYS CA C 556 56.233 56.233 60.805 -4.572 19383 264 1 . 1 1 556 556 CYS CB C 556 41.438 41.438 26.526 14.912 19383 265 1 . 1 1 556 556 CYS H H 556 8.214 8.214 8.338 -0.124 19383 266 1 . 1 1 557 557 GLY N N 557 108.419 108.419 108.792 -0.373 19383 267 1 . 1 1 557 557 GLY C C 557 180.393 180.393 175.666 4.727 19383 268 1 . 1 1 557 557 GLY CA C 557 45.701 45.701 46.698 -0.997 19383 269 1 . 1 1 557 557 GLY H H 557 8.141 8.141 8.566 -0.425 19383 270 1 . 1 1 558 558 LEU N N 558 120.318 120.318 118.214 2.104 19383 271 1 . 1 1 558 558 LEU HA H 558 4.237 4.237 4.194 0.043 19383 272 1 . 1 1 558 558 LEU C C 558 177.398 177.398 177.115 0.283 19383 273 1 . 1 1 558 558 LEU CA C 558 55.730 55.730 55.908 -0.178 19383 274 1 . 1 1 558 558 LEU CB C 558 42.585 42.585 41.213 1.372 19383 275 1 . 1 1 558 558 LEU H H 558 7.837 7.837 7.402 0.435 19383 276 1 . 1 1 559 559 ARG N N 559 119.828 119.828 117.669 2.159 19383 277 1 . 1 1 559 559 ARG HA H 559 4.245 4.245 4.065 0.180 19383 278 1 . 1 1 559 559 ARG C C 559 179.052 179.052 175.966 3.086 19383 279 1 . 1 1 559 559 ARG CA C 559 55.773 55.773 56.488 -0.715 19383 280 1 . 1 1 559 559 ARG CB C 559 31.191 31.191 29.396 1.795 19383 281 1 . 1 1 559 559 ARG H H 559 8.007 8.007 7.723 0.284 19383 stop_ save_