data_25657 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25657 _Entry.PDB_ID 2N3T 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 25657 _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 1 484 484 LYS HA H 484 4.551 4.551 4.288 0.263 25657 2 1 1 . 1 1 484 484 LYS CA C 484 55.960 55.960 56.157 -0.197 25657 3 1 1 . 1 1 484 484 LYS CB C 484 32.962 32.962 33.227 -0.265 25657 4 1 1 . 1 1 488 488 ALA HA H 488 3.926 3.926 3.968 -0.042 25657 5 1 1 . 1 1 488 488 ALA CA C 488 54.682 54.682 54.835 -0.153 25657 6 1 1 . 1 1 488 488 ALA CB C 488 18.652 18.652 17.971 0.680 25657 7 1 1 . 1 1 489 489 ALA HA H 489 3.910 3.910 3.953 -0.043 25657 8 1 1 . 1 1 489 489 ALA CA C 489 54.563 54.563 55.067 -0.504 25657 9 1 1 . 1 1 489 489 ALA CB C 489 18.733 18.733 18.182 0.551 25657 10 1 1 . 1 1 490 490 ILE HA H 490 4.120 4.120 3.616 0.504 25657 11 1 1 . 1 1 490 490 ILE CA C 490 61.752 61.752 64.049 -2.297 25657 12 1 1 . 1 1 490 490 ILE CB C 490 38.584 38.584 36.852 1.732 25657 13 1 1 . 1 1 493 493 LEU HA H 493 4.293 4.293 4.125 0.168 25657 14 1 1 . 1 1 493 493 LEU CA C 493 55.121 55.121 57.253 -2.132 25657 15 1 1 . 1 1 493 493 LEU CB C 493 42.180 42.180 41.778 0.402 25657 16 1 1 . 1 1 494 494 GLY CA C 494 47.527 47.527 46.925 0.602 25657 17 1 1 . 1 1 496 496 ALA HA H 496 4.034 4.034 4.272 -0.238 25657 18 1 1 . 1 1 496 496 ALA CA C 496 55.704 55.704 54.596 1.108 25657 19 1 1 . 1 1 496 496 ALA CB C 496 19.830 19.830 18.228 1.602 25657 20 1 1 . 1 1 497 497 PHE HA H 497 4.621 4.621 4.332 0.289 25657 21 1 1 . 1 1 497 497 PHE CA C 497 57.493 57.493 58.606 -1.113 25657 22 1 1 . 1 1 497 497 PHE CB C 497 38.584 38.584 37.738 0.846 25657 23 1 1 . 1 1 498 498 ALA HA H 498 3.822 3.822 4.043 -0.221 25657 24 1 1 . 1 1 498 498 ALA CA C 498 54.735 54.735 54.731 0.004 25657 25 1 1 . 1 1 498 498 ALA CB C 498 18.397 18.397 18.322 0.075 25657 26 1 1 . 1 1 500 500 SER N N 500 113.984 113.984 115.673 -1.689 25657 27 1 1 . 1 1 500 500 SER HA H 500 4.200 4.200 4.054 0.146 25657 28 1 1 . 1 1 500 500 SER CA C 500 60.559 60.559 60.146 0.413 25657 29 1 1 . 1 1 500 500 SER CB C 500 65.159 65.159 62.972 2.187 25657 30 1 1 . 1 1 500 500 SER H H 500 8.124 8.124 7.875 0.249 25657 31 1 1 . 1 1 501 501 LYS N N 501 118.485 118.485 119.675 -1.190 25657 32 1 1 . 1 1 501 501 LYS HA H 501 4.276 4.276 4.060 0.216 25657 33 1 1 . 1 1 501 501 LYS CA C 501 55.960 55.960 55.946 0.014 25657 34 1 1 . 1 1 501 501 LYS H H 501 8.419 8.419 7.700 0.719 25657 35 1 1 . 1 1 502 502 ASN N N 502 115.874 115.874 118.806 -2.932 25657 36 1 1 . 1 1 502 502 ASN HA H 502 4.275 4.275 4.895 -0.620 25657 37 1 1 . 1 1 502 502 ASN CA C 502 55.449 55.449 52.379 3.070 25657 38 1 1 . 1 1 502 502 ASN CB C 502 39.861 39.861 41.392 -1.531 25657 39 1 1 . 1 1 502 502 ASN H H 502 6.247 6.247 7.900 -1.653 25657 40 1 1 . 1 1 503 503 ASP N N 503 127.293 127.293 124.121 3.172 25657 41 1 1 . 1 1 503 503 ASP HA H 503 4.551 4.551 4.275 0.276 25657 42 1 1 . 1 1 503 503 ASP CA C 503 56.982 56.982 56.845 0.137 25657 43 1 1 . 1 1 503 503 ASP CB C 503 41.395 41.395 40.516 0.879 25657 44 1 1 . 1 1 503 503 ASP H H 503 8.734 8.734 8.975 -0.241 25657 45 1 1 . 1 1 504 504 GLU N N 504 123.432 123.432 120.418 3.014 25657 46 1 1 . 1 1 504 504 GLU HA H 504 4.094 4.094 4.149 -0.055 25657 47 1 1 . 1 1 504 504 GLU CA C 504 59.282 59.282 59.052 0.230 25657 48 1 1 . 1 1 504 504 GLU CB C 504 28.618 28.618 29.734 -1.116 25657 49 1 1 . 1 1 504 504 GLU H H 504 8.208 8.208 7.803 0.405 25657 50 1 1 . 1 1 505 505 VAL N N 505 121.171 121.171 120.479 0.692 25657 51 1 1 . 1 1 505 505 VAL HA H 505 3.284 3.284 3.687 -0.403 25657 52 1 1 . 1 1 505 505 VAL CA C 505 66.547 66.547 65.758 0.789 25657 53 1 1 . 1 1 505 505 VAL CB C 505 30.918 30.918 31.571 -0.653 25657 54 1 1 . 1 1 505 505 VAL H H 505 8.343 8.343 7.757 0.586 25657 55 1 1 . 1 1 506 506 LEU N N 506 120.468 120.468 120.476 -0.008 25657 56 1 1 . 1 1 506 506 LEU HA H 506 3.956 3.956 4.055 -0.099 25657 57 1 1 . 1 1 506 506 LEU CA C 506 58.667 58.667 58.342 0.325 25657 58 1 1 . 1 1 506 506 LEU CB C 506 41.139 41.139 41.581 -0.442 25657 59 1 1 . 1 1 506 506 LEU H H 506 7.677 7.677 8.012 -0.335 25657 60 1 1 . 1 1 507 507 GLY N N 507 102.846 102.846 105.931 -3.085 25657 61 1 1 . 1 1 507 507 GLY CA C 507 46.428 46.428 46.612 -0.184 25657 62 1 1 . 1 1 507 507 GLY H H 507 7.864 7.864 7.462 0.402 25657 63 1 1 . 1 1 508 508 LEU N N 508 119.101 119.101 121.385 -2.284 25657 64 1 1 . 1 1 508 508 LEU HA H 508 4.209 4.209 4.387 -0.178 25657 65 1 1 . 1 1 508 508 LEU CA C 508 56.471 56.471 56.988 -0.517 25657 66 1 1 . 1 1 508 508 LEU CB C 508 43.362 43.362 42.182 1.180 25657 67 1 1 . 1 1 508 508 LEU H H 508 7.368 7.368 7.354 0.014 25657 68 1 1 . 1 1 509 509 LEU N N 509 112.199 112.199 119.813 -7.614 25657 69 1 1 . 1 1 509 509 LEU HA H 509 4.387 4.387 4.046 0.341 25657 70 1 1 . 1 1 509 509 LEU CA C 509 55.073 55.073 58.048 -2.975 25657 71 1 1 . 1 1 509 509 LEU CB C 509 42.111 42.111 40.762 1.349 25657 72 1 1 . 1 1 509 509 LEU H H 509 8.043 8.043 8.521 -0.478 25657 73 1 1 . 1 1 510 510 LEU N N 510 124.597 124.597 120.030 4.567 25657 74 1 1 . 1 1 510 510 LEU HA H 510 3.986 3.986 4.044 -0.058 25657 75 1 1 . 1 1 510 510 LEU CA C 510 59.537 59.537 60.438 -0.901 25657 76 1 1 . 1 1 510 510 LEU CB C 510 38.809 38.809 38.535 0.273 25657 77 1 1 . 1 1 510 510 LEU H H 510 9.023 9.023 7.650 1.373 25657 78 1 1 . 1 1 511 511 PRO HA H 511 4.188 4.188 4.148 0.040 25657 79 1 1 . 1 1 511 511 PRO CA C 511 65.159 65.159 66.068 -0.909 25657 80 1 1 . 1 1 511 511 PRO CB C 511 31.173 31.173 31.257 -0.084 25657 81 1 1 . 1 1 512 512 ILE N N 512 116.144 116.144 115.378 0.766 25657 82 1 1 . 1 1 512 512 ILE HA H 512 3.555 3.555 3.843 -0.288 25657 83 1 1 . 1 1 512 512 ILE CA C 512 63.626 63.626 63.534 0.092 25657 84 1 1 . 1 1 512 512 ILE CB C 512 37.562 37.562 37.772 -0.209 25657 85 1 1 . 1 1 512 512 ILE H H 512 6.740 6.740 7.390 -0.650 25657 86 1 1 . 1 1 513 513 ALA N N 513 120.058 120.058 121.838 -1.780 25657 87 1 1 . 1 1 513 513 ALA HA H 513 4.001 4.001 4.327 -0.326 25657 88 1 1 . 1 1 513 513 ALA CA C 513 54.684 54.684 53.459 1.225 25657 89 1 1 . 1 1 513 513 ALA CB C 513 17.961 17.961 19.135 -1.174 25657 90 1 1 . 1 1 513 513 ALA H H 513 7.742 7.742 8.000 -0.258 25657 91 1 1 . 1 1 514 514 ALA N N 514 112.305 112.305 119.569 -7.264 25657 92 1 1 . 1 1 514 514 ALA HA H 514 4.043 4.043 4.370 -0.327 25657 93 1 1 . 1 1 514 514 ALA CA C 514 51.908 51.908 51.676 0.232 25657 94 1 1 . 1 1 514 514 ALA CB C 514 19.430 19.430 19.434 -0.004 25657 95 1 1 . 1 1 514 514 ALA H H 514 7.900 7.900 7.576 0.324 25657 96 1 1 . 1 1 515 515 SER N N 515 113.093 113.093 113.494 -0.401 25657 97 1 1 . 1 1 515 515 SER HA H 515 4.372 4.372 4.228 0.144 25657 98 1 1 . 1 1 515 515 SER CA C 515 57.781 57.781 59.067 -1.286 25657 99 1 1 . 1 1 515 515 SER CB C 515 63.115 63.115 62.490 0.625 25657 100 1 1 . 1 1 515 515 SER H H 515 7.103 7.103 7.593 -0.490 25657 101 1 1 . 1 1 516 516 THR N N 516 115.846 115.846 114.886 0.960 25657 102 1 1 . 1 1 516 516 THR HA H 516 4.187 4.187 4.285 -0.098 25657 103 1 1 . 1 1 516 516 THR CA C 516 62.093 62.093 64.001 -1.908 25657 104 1 1 . 1 1 516 516 THR CB C 516 67.714 67.714 69.172 -1.458 25657 105 1 1 . 1 1 516 516 THR H H 516 8.161 8.161 8.696 -0.535 25657 106 1 1 . 1 1 517 517 ASP N N 517 118.302 118.302 118.380 -0.078 25657 107 1 1 . 1 1 517 517 ASP HA H 517 4.574 4.574 4.551 0.023 25657 108 1 1 . 1 1 517 517 ASP CA C 517 54.171 54.171 53.952 0.219 25657 109 1 1 . 1 1 517 517 ASP CB C 517 41.139 41.139 41.053 0.086 25657 110 1 1 . 1 1 517 517 ASP H H 517 8.295 8.295 8.075 0.220 25657 111 1 1 . 1 1 518 518 LEU N N 518 121.136 121.136 121.018 0.118 25657 112 1 1 . 1 1 518 518 LEU HA H 518 4.531 4.531 4.353 0.178 25657 113 1 1 . 1 1 518 518 LEU CA C 518 53.050 53.050 54.035 -0.985 25657 114 1 1 . 1 1 518 518 LEU CB C 518 40.884 40.884 41.093 -0.209 25657 115 1 1 . 1 1 518 518 LEU H H 518 7.150 7.150 7.938 -0.788 25657 116 1 1 . 1 1 519 519 PRO HA H 519 4.385 4.385 4.313 0.072 25657 117 1 1 . 1 1 519 519 PRO CA C 519 63.115 63.115 62.952 0.164 25657 118 1 1 . 1 1 519 519 PRO CB C 519 32.195 32.195 32.025 0.170 25657 119 1 1 . 1 1 520 520 ILE N N 520 121.919 121.919 117.600 4.319 25657 120 1 1 . 1 1 520 520 ILE HA H 520 3.760 3.760 3.807 -0.047 25657 121 1 1 . 1 1 520 520 ILE CA C 520 63.881 63.881 63.737 0.144 25657 122 1 1 . 1 1 520 520 ILE CB C 520 37.817 37.817 37.792 0.025 25657 123 1 1 . 1 1 520 520 ILE H H 520 8.655 8.655 8.462 0.193 25657 124 1 1 . 1 1 522 522 THR N N 522 114.698 114.698 112.864 1.834 25657 125 1 1 . 1 1 522 522 THR HA H 522 3.647 3.647 3.986 -0.339 25657 126 1 1 . 1 1 522 522 THR CA C 522 65.670 65.670 65.526 0.144 25657 127 1 1 . 1 1 522 522 THR CB C 522 68.481 68.481 68.057 0.424 25657 128 1 1 . 1 1 522 522 THR H H 522 6.636 6.636 7.721 -1.085 25657 129 1 1 . 1 1 523 523 ALA N N 523 122.860 122.860 124.032 -1.172 25657 130 1 1 . 1 1 523 523 ALA HA H 523 3.940 3.940 3.988 -0.048 25657 131 1 1 . 1 1 523 523 ALA CA C 523 55.415 55.415 54.956 0.459 25657 132 1 1 . 1 1 523 523 ALA CB C 523 18.392 18.392 18.085 0.307 25657 133 1 1 . 1 1 523 523 ALA H H 523 7.251 7.251 7.420 -0.169 25657 134 1 1 . 1 1 524 524 ALA N N 524 121.541 121.541 120.833 0.708 25657 135 1 1 . 1 1 524 524 ALA HA H 524 3.933 3.933 3.949 -0.016 25657 136 1 1 . 1 1 524 524 ALA CA C 524 55.193 55.193 55.525 -0.332 25657 137 1 1 . 1 1 524 524 ALA CB C 524 18.652 18.652 18.481 0.171 25657 138 1 1 . 1 1 524 524 ALA H H 524 9.218 9.218 8.182 1.036 25657 139 1 1 . 1 1 526 526 ALA HA H 526 3.886 3.886 3.907 -0.021 25657 140 1 1 . 1 1 526 526 ALA CA C 526 55.544 55.544 55.231 0.313 25657 141 1 1 . 1 1 526 526 ALA CB C 526 18.113 18.113 17.999 0.114 25657 142 1 1 . 1 1 527 527 SER HA H 527 3.932 3.932 4.154 -0.222 25657 143 1 1 . 1 1 527 527 SER CA C 527 60.304 60.304 62.340 -2.036 25657 144 1 1 . 1 1 527 527 SER CB C 527 62.859 62.859 62.943 -0.083 25657 145 1 1 . 1 1 528 528 LEU HA H 528 4.030 4.030 3.948 0.082 25657 146 1 1 . 1 1 528 528 LEU CA C 528 57.252 57.252 57.998 -0.746 25657 147 1 1 . 1 1 528 528 LEU CB C 528 41.555 41.555 41.744 -0.189 25657 148 1 1 . 1 1 529 529 ALA HA H 529 4.312 4.312 3.956 0.356 25657 149 1 1 . 1 1 529 529 ALA CA C 529 52.127 52.127 55.034 -2.907 25657 150 1 1 . 1 1 529 529 ALA CB C 529 18.908 18.908 18.162 0.746 25657 151 1 1 . 1 1 530 530 LEU HA H 530 3.931 3.931 4.112 -0.181 25657 152 1 1 . 1 1 530 530 LEU CA C 530 57.493 57.493 57.950 -0.457 25657 153 1 1 . 1 1 530 530 LEU CB C 530 42.161 42.161 42.046 0.115 25657 154 1 1 . 1 1 531 531 ALA N N 531 121.603 121.603 121.192 0.411 25657 155 1 1 . 1 1 531 531 ALA HA H 531 3.874 3.874 3.948 -0.074 25657 156 1 1 . 1 1 531 531 ALA CA C 531 55.704 55.704 55.398 0.305 25657 157 1 1 . 1 1 531 531 ALA CB C 531 19.842 19.842 18.282 1.560 25657 158 1 1 . 1 1 531 531 ALA H H 531 8.675 8.675 7.718 0.957 25657 159 1 1 . 1 1 533 533 VAL HA H 533 4.073 4.073 3.951 0.122 25657 160 1 1 . 1 1 533 533 VAL CA C 533 66.437 66.437 65.924 0.513 25657 161 1 1 . 1 1 533 533 VAL CB C 533 31.684 31.684 32.734 -1.050 25657 162 1 1 . 1 1 535 535 VAL N N 535 125.207 125.207 119.444 5.763 25657 163 1 1 . 1 1 535 535 VAL HA H 535 4.047 4.047 3.771 0.276 25657 164 1 1 . 1 1 535 535 VAL CA C 535 62.093 62.093 64.316 -2.223 25657 165 1 1 . 1 1 535 535 VAL CB C 535 30.918 30.918 31.864 -0.946 25657 166 1 1 . 1 1 535 535 VAL H H 535 6.624 6.624 8.317 -1.693 25657 167 1 1 . 1 1 536 536 GLY N N 536 116.145 116.145 107.085 9.060 25657 168 1 1 . 1 1 536 536 GLY CA C 536 45.994 45.994 45.351 0.643 25657 169 1 1 . 1 1 536 536 GLY H H 536 7.749 7.749 7.769 -0.020 25657 170 1 1 . 1 1 537 537 THR N N 537 116.707 116.707 113.407 3.300 25657 171 1 1 . 1 1 537 537 THR HA H 537 4.262 4.262 4.670 -0.408 25657 172 1 1 . 1 1 537 537 THR CA C 537 62.604 62.604 60.658 1.946 25657 173 1 1 . 1 1 537 537 THR CB C 537 72.058 72.058 70.922 1.136 25657 174 1 1 . 1 1 537 537 THR H H 537 7.962 7.962 7.508 0.454 25657 175 1 1 . 1 1 538 538 CYS N N 538 114.912 114.912 117.258 -2.346 25657 176 1 1 . 1 1 538 538 CYS HA H 538 4.308 4.308 4.826 -0.518 25657 177 1 1 . 1 1 538 538 CYS CB C 538 36.284 36.284 30.553 5.731 25657 178 1 1 . 1 1 538 538 CYS H H 538 8.598 8.598 8.329 0.269 25657 179 1 1 . 1 1 539 539 ASN N N 539 114.935 114.935 120.677 -5.742 25657 180 1 1 . 1 1 539 539 ASN HA H 539 4.121 4.121 4.803 -0.682 25657 181 1 1 . 1 1 539 539 ASN CA C 539 56.215 56.215 52.428 3.787 25657 182 1 1 . 1 1 539 539 ASN CB C 539 40.628 40.628 41.037 -0.409 25657 183 1 1 . 1 1 539 539 ASN H H 539 6.886 6.886 8.353 -1.467 25657 184 1 1 . 1 1 540 540 GLY N N 540 120.207 120.207 111.054 9.153 25657 185 1 1 . 1 1 540 540 GLY CA C 540 47.527 47.527 45.865 1.662 25657 186 1 1 . 1 1 540 540 GLY H H 540 9.345 9.345 8.743 0.602 25657 187 1 1 . 1 1 541 541 ASP N N 541 123.940 123.940 122.966 0.974 25657 188 1 1 . 1 1 541 541 ASP HA H 541 4.442 4.442 4.420 0.022 25657 189 1 1 . 1 1 541 541 ASP CA C 541 57.493 57.493 56.889 0.604 25657 190 1 1 . 1 1 541 541 ASP CB C 541 39.861 39.861 40.253 -0.392 25657 191 1 1 . 1 1 541 541 ASP H H 541 7.768 7.768 8.947 -1.179 25657 192 1 1 . 1 1 542 542 ILE N N 542 121.748 121.748 117.365 4.383 25657 193 1 1 . 1 1 542 542 ILE HA H 542 3.423 3.423 3.553 -0.130 25657 194 1 1 . 1 1 542 542 ILE CA C 542 64.903 64.903 64.579 0.324 25657 195 1 1 . 1 1 542 542 ILE CB C 542 37.562 37.562 37.142 0.420 25657 196 1 1 . 1 1 542 542 ILE H H 542 8.866 8.866 7.894 0.972 25657 197 1 1 . 1 1 543 543 THR N N 543 117.103 117.103 115.691 1.412 25657 198 1 1 . 1 1 543 543 THR HA H 543 3.535 3.535 4.065 -0.530 25657 199 1 1 . 1 1 543 543 THR CA C 543 68.481 68.481 67.204 1.278 25657 200 1 1 . 1 1 543 543 THR CB C 543 68.481 68.481 68.073 0.408 25657 201 1 1 . 1 1 543 543 THR H H 543 8.047 8.047 8.028 0.019 25657 202 1 1 . 1 1 544 544 THR N N 544 117.176 117.176 119.398 -2.222 25657 203 1 1 . 1 1 544 544 THR HA H 544 3.749 3.749 3.868 -0.119 25657 204 1 1 . 1 1 544 544 THR CA C 544 66.692 66.692 67.107 -0.415 25657 205 1 1 . 1 1 544 544 THR CB C 544 68.736 68.736 68.246 0.491 25657 206 1 1 . 1 1 544 544 THR H H 544 8.240 8.240 8.058 0.182 25657 207 1 1 . 1 1 545 545 SER N N 545 117.103 117.103 118.279 -1.176 25657 208 1 1 . 1 1 545 545 SER HA H 545 4.165 4.165 4.204 -0.039 25657 209 1 1 . 1 1 545 545 SER CA C 545 62.348 62.348 61.948 0.400 25657 210 1 1 . 1 1 545 545 SER CB C 545 62.348 62.348 63.199 -0.851 25657 211 1 1 . 1 1 545 545 SER H H 545 7.407 7.407 7.581 -0.174 25657 212 1 1 . 1 1 546 546 ILE N N 546 122.380 122.380 122.299 0.081 25657 213 1 1 . 1 1 546 546 ILE HA H 546 3.463 3.463 3.834 -0.371 25657 214 1 1 . 1 1 546 546 ILE CA C 546 66.242 66.242 65.165 1.077 25657 215 1 1 . 1 1 546 546 ILE CB C 546 38.328 38.328 38.222 0.106 25657 216 1 1 . 1 1 546 546 ILE H H 546 7.830 7.830 8.282 -0.452 25657 217 1 1 . 1 1 547 547 MET N N 547 117.942 117.942 120.343 -2.401 25657 218 1 1 . 1 1 547 547 MET HA H 547 4.498 4.498 4.344 0.154 25657 219 1 1 . 1 1 547 547 MET CA C 547 56.982 56.982 58.657 -1.675 25657 220 1 1 . 1 1 547 547 MET CB C 547 30.197 30.197 32.412 -2.215 25657 221 1 1 . 1 1 547 547 MET H H 547 8.524 8.524 8.494 0.030 25657 222 1 1 . 1 1 548 548 ASP N N 548 119.475 119.475 119.051 0.424 25657 223 1 1 . 1 1 548 548 ASP HA H 548 4.497 4.497 4.316 0.181 25657 224 1 1 . 1 1 548 548 ASP CA C 548 57.493 57.493 57.552 -0.059 25657 225 1 1 . 1 1 548 548 ASP CB C 548 39.350 39.350 40.147 -0.797 25657 226 1 1 . 1 1 548 548 ASP H H 548 8.820 8.820 8.378 0.442 25657 227 1 1 . 1 1 549 549 ASN N N 549 116.905 116.905 117.825 -0.920 25657 228 1 1 . 1 1 549 549 ASN HA H 549 4.141 4.141 4.563 -0.422 25657 229 1 1 . 1 1 549 549 ASN CA C 549 57.493 57.493 55.350 2.143 25657 230 1 1 . 1 1 549 549 ASN CB C 549 41.139 41.139 38.401 2.738 25657 231 1 1 . 1 1 549 549 ASN H H 549 7.443 7.443 7.839 -0.396 25657 232 1 1 . 1 1 550 550 PHE N N 550 115.303 115.303 119.487 -4.184 25657 233 1 1 . 1 1 550 550 PHE HA H 550 4.384 4.384 4.268 0.116 25657 234 1 1 . 1 1 550 550 PHE CA C 550 60.815 60.815 61.721 -0.907 25657 235 1 1 . 1 1 550 550 PHE CB C 550 39.409 39.409 39.100 0.309 25657 236 1 1 . 1 1 550 550 PHE H H 550 7.283 7.283 7.511 -0.228 25657 237 1 1 . 1 1 551 551 LEU N N 551 117.577 117.577 116.463 1.114 25657 238 1 1 . 1 1 551 551 LEU HA H 551 4.313 4.313 4.615 -0.302 25657 239 1 1 . 1 1 551 551 LEU CA C 551 56.471 56.471 56.082 0.389 25657 240 1 1 . 1 1 551 551 LEU CB C 551 43.183 43.183 42.259 0.924 25657 241 1 1 . 1 1 551 551 LEU H H 551 8.274 8.274 7.667 0.607 25657 242 1 1 . 1 1 552 552 GLU N N 552 115.846 115.846 118.268 -2.422 25657 243 1 1 . 1 1 552 552 GLU HA H 552 3.942 3.942 4.245 -0.303 25657 244 1 1 . 1 1 552 552 GLU CA C 552 59.282 59.282 56.396 2.886 25657 245 1 1 . 1 1 552 552 GLU CB C 552 29.103 29.103 29.642 -0.539 25657 246 1 1 . 1 1 552 552 GLU H H 552 8.161 8.161 7.731 0.430 25657 247 1 1 . 1 1 553 553 ARG N N 553 116.743 116.743 119.140 -2.397 25657 248 1 1 . 1 1 553 553 ARG HA H 553 4.574 4.574 4.106 0.468 25657 249 1 1 . 1 1 553 553 ARG CA C 553 55.960 55.960 57.171 -1.211 25657 250 1 1 . 1 1 553 553 ARG CB C 553 30.662 30.662 29.724 0.938 25657 251 1 1 . 1 1 553 553 ARG H H 553 6.884 6.884 7.566 -0.682 25657 252 1 1 . 1 1 554 554 THR N N 554 110.707 110.707 116.462 -5.755 25657 253 1 1 . 1 1 554 554 THR HA H 554 4.389 4.389 4.351 0.038 25657 254 1 1 . 1 1 554 554 THR CA C 554 61.070 61.070 60.350 0.720 25657 255 1 1 . 1 1 554 554 THR CB C 554 71.292 71.292 69.936 1.356 25657 256 1 1 . 1 1 554 554 THR H H 554 8.620 8.620 7.849 0.771 25657 257 1 1 . 1 1 555 555 ALA N N 555 122.620 122.620 124.698 -2.078 25657 258 1 1 . 1 1 555 555 ALA HA H 555 4.096 4.096 3.991 0.105 25657 259 1 1 . 1 1 555 555 ALA CA C 555 55.354 55.354 54.773 0.581 25657 260 1 1 . 1 1 555 555 ALA CB C 555 18.127 18.127 18.350 -0.223 25657 261 1 1 . 1 1 555 555 ALA H H 555 8.682 8.682 8.548 0.134 25657 262 1 1 . 1 1 556 556 ILE N N 556 114.464 114.464 118.328 -3.864 25657 263 1 1 . 1 1 556 556 ILE HA H 556 3.889 3.889 3.608 0.281 25657 264 1 1 . 1 1 556 556 ILE CA C 556 63.370 63.370 62.418 0.952 25657 265 1 1 . 1 1 556 556 ILE CB C 556 38.073 38.073 37.416 0.657 25657 266 1 1 . 1 1 556 556 ILE H H 556 7.702 7.702 7.826 -0.124 25657 267 1 1 . 1 1 557 557 GLU N N 557 121.301 121.301 119.865 1.436 25657 268 1 1 . 1 1 557 557 GLU HA H 557 4.256 4.256 3.641 0.615 25657 269 1 1 . 1 1 557 557 GLU CA C 557 58.771 58.771 58.195 0.576 25657 270 1 1 . 1 1 557 557 GLU CB C 557 31.316 31.316 28.845 2.471 25657 271 1 1 . 1 1 557 557 GLU H H 557 7.545 7.545 8.272 -0.727 25657 272 1 1 . 1 1 558 558 LEU N N 558 118.899 118.899 115.255 3.644 25657 273 1 1 . 1 1 558 558 LEU HA H 558 4.062 4.062 4.173 -0.111 25657 274 1 1 . 1 1 558 558 LEU CA C 558 58.004 58.004 55.775 2.229 25657 275 1 1 . 1 1 558 558 LEU CB C 558 42.417 42.417 41.242 1.175 25657 276 1 1 . 1 1 558 558 LEU H H 558 7.829 7.829 7.613 0.216 25657 277 1 1 . 1 1 562 562 TRP HA H 562 4.366 4.366 4.409 -0.043 25657 278 1 1 . 1 1 562 562 TRP CA C 562 59.793 59.793 60.702 -0.909 25657 279 1 1 . 1 1 562 562 TRP CB C 562 28.874 28.874 28.950 -0.076 25657 280 1 1 . 1 1 563 563 VAL HA H 563 3.659 3.659 2.588 1.071 25657 281 1 1 . 1 1 563 563 VAL CA C 563 65.926 65.926 64.808 1.117 25657 282 1 1 . 1 1 563 563 VAL CB C 563 31.429 31.429 30.889 0.540 25657 283 1 1 . 1 1 564 564 ARG HA H 564 4.273 4.273 3.889 0.384 25657 284 1 1 . 1 1 564 564 ARG CA C 564 56.982 56.982 59.249 -2.267 25657 285 1 1 . 1 1 564 564 ARG CB C 564 30.151 30.151 29.786 0.365 25657 286 1 1 . 1 1 566 566 LEU HA H 566 4.057 4.057 3.909 0.148 25657 287 1 1 . 1 1 566 566 LEU CA C 566 57.749 57.749 58.113 -0.364 25657 288 1 1 . 1 1 566 566 LEU CB C 566 41.139 41.139 41.596 -0.457 25657 289 1 1 . 1 1 567 567 ALA HA H 567 4.004 4.004 4.269 -0.265 25657 290 1 1 . 1 1 567 567 ALA CA C 567 54.427 54.427 54.917 -0.490 25657 291 1 1 . 1 1 567 567 ALA CB C 567 19.419 19.419 18.340 1.079 25657 292 1 1 . 1 1 569 569 ALA N N 569 123.940 123.940 121.299 2.641 25657 293 1 1 . 1 1 569 569 ALA HA H 569 3.741 3.741 4.148 -0.407 25657 294 1 1 . 1 1 569 569 ALA CB C 569 17.725 17.725 18.249 -0.524 25657 295 1 1 . 1 1 570 570 LEU N N 570 117.193 117.193 117.692 -0.499 25657 296 1 1 . 1 1 570 570 LEU HA H 570 4.039 4.039 4.290 -0.251 25657 297 1 1 . 1 1 570 570 LEU CA C 570 57.749 57.749 57.557 0.192 25657 298 1 1 . 1 1 570 570 LEU CB C 570 41.906 41.906 42.048 -0.143 25657 299 1 1 . 1 1 570 570 LEU H H 570 7.636 7.636 7.601 0.035 25657 300 1 1 . 1 1 573 573 LEU N N 573 123.340 123.340 119.866 3.474 25657 301 1 1 . 1 1 573 573 LEU HA H 573 4.150 4.150 4.050 0.100 25657 302 1 1 . 1 1 573 573 LEU CA C 573 57.757 57.757 57.560 0.197 25657 303 1 1 . 1 1 573 573 LEU CB C 573 42.417 42.417 42.280 0.137 25657 304 1 1 . 1 1 573 573 LEU H H 573 8.510 8.510 7.703 0.807 25657 305 1 1 . 1 1 574 574 TYR N N 574 114.647 114.647 113.871 0.776 25657 306 1 1 . 1 1 574 574 TYR H H 574 7.510 7.510 7.389 0.121 25657 307 1 1 . 1 1 575 575 MET N N 575 123.163 123.163 120.585 2.578 25657 308 1 1 . 1 1 575 575 MET HA H 575 4.363 4.363 4.187 0.176 25657 309 1 1 . 1 1 575 575 MET CA C 575 55.449 55.449 58.830 -3.381 25657 310 1 1 . 1 1 575 575 MET CB C 575 29.385 29.385 32.906 -3.521 25657 311 1 1 . 1 1 575 575 MET H H 575 7.209 7.209 7.380 -0.171 25657 312 1 1 . 1 1 579 579 GLU N N 579 123.708 123.708 123.579 0.129 25657 313 1 1 . 1 1 579 579 GLU HA H 579 4.402 4.402 4.095 0.307 25657 314 1 1 . 1 1 579 579 GLU CA C 579 57.749 57.749 59.361 -1.612 25657 315 1 1 . 1 1 579 579 GLU CB C 579 29.193 29.193 29.806 -0.613 25657 316 1 1 . 1 1 579 579 GLU H H 579 8.893 8.893 9.131 -0.238 25657 317 1 1 . 1 1 580 580 GLN N N 580 119.901 119.901 118.768 1.133 25657 318 1 1 . 1 1 580 580 GLN HA H 580 4.231 4.231 4.057 0.174 25657 319 1 1 . 1 1 580 580 GLN CA C 580 58.200 58.200 58.669 -0.469 25657 320 1 1 . 1 1 580 580 GLN CB C 580 29.385 29.385 28.258 1.127 25657 321 1 1 . 1 1 580 580 GLN H H 580 7.768 7.768 8.251 -0.483 25657 322 1 1 . 1 1 581 581 VAL N N 581 118.005 118.005 119.550 -1.545 25657 323 1 1 . 1 1 581 581 VAL HA H 581 3.786 3.786 3.332 0.454 25657 324 1 1 . 1 1 581 581 VAL CA C 581 61.326 61.326 66.405 -5.079 25657 325 1 1 . 1 1 581 581 VAL CB C 581 34.495 34.495 30.808 3.687 25657 326 1 1 . 1 1 581 581 VAL H H 581 8.874 8.874 8.010 0.864 25657 327 1 1 . 1 1 582 582 ASP N N 582 123.700 123.700 118.640 5.060 25657 328 1 1 . 1 1 582 582 ASP HA H 582 4.161 4.161 4.372 -0.211 25657 329 1 1 . 1 1 582 582 ASP CA C 582 58.260 58.260 57.173 1.087 25657 330 1 1 . 1 1 582 582 ASP CB C 582 39.355 39.355 40.607 -1.252 25657 331 1 1 . 1 1 582 582 ASP H H 582 7.604 7.604 7.805 -0.201 25657 332 1 1 . 1 1 583 583 ASP N N 583 119.292 119.292 120.621 -1.329 25657 333 1 1 . 1 1 583 583 ASP HA H 583 4.546 4.546 4.459 0.087 25657 334 1 1 . 1 1 583 583 ASP CA C 583 54.938 54.938 56.521 -1.583 25657 335 1 1 . 1 1 583 583 ASP CB C 583 40.628 40.628 40.976 -0.348 25657 336 1 1 . 1 1 583 583 ASP H H 583 8.376 8.376 7.827 0.549 25657 337 1 1 . 1 1 584 584 VAL N N 584 121.900 121.900 120.638 1.262 25657 338 1 1 . 1 1 584 584 VAL HA H 584 3.727 3.727 3.526 0.201 25657 339 1 1 . 1 1 584 584 VAL CA C 584 65.159 65.159 66.421 -1.262 25657 340 1 1 . 1 1 584 584 VAL CB C 584 31.429 31.429 31.683 -0.254 25657 341 1 1 . 1 1 584 584 VAL H H 584 7.732 7.732 8.322 -0.590 25657 342 1 1 . 1 1 585 585 LEU N N 585 119.481 119.481 119.356 0.125 25657 343 1 1 . 1 1 585 585 LEU HA H 585 3.879 3.879 3.789 0.090 25657 344 1 1 . 1 1 585 585 LEU CA C 585 57.493 57.493 58.416 -0.923 25657 345 1 1 . 1 1 585 585 LEU CB C 585 40.628 40.628 41.005 -0.377 25657 346 1 1 . 1 1 585 585 LEU H H 585 8.018 8.018 7.903 0.115 25657 347 1 1 . 1 1 586 586 GLU N N 586 118.081 118.081 117.718 0.363 25657 348 1 1 . 1 1 586 586 GLU HA H 586 4.283 4.283 3.938 0.345 25657 349 1 1 . 1 1 586 586 GLU CA C 586 55.704 55.704 59.648 -3.944 25657 350 1 1 . 1 1 586 586 GLU CB C 586 29.129 29.129 29.145 -0.017 25657 351 1 1 . 1 1 586 586 GLU H H 586 7.729 7.729 7.800 -0.071 25657 352 1 1 . 1 1 587 587 THR HA H 587 3.882 3.882 4.078 -0.196 25657 353 1 1 . 1 1 587 587 THR CA C 587 66.400 66.400 66.199 0.201 25657 354 1 1 . 1 1 587 587 THR CB C 587 68.288 68.288 68.310 -0.022 25657 355 1 1 . 1 1 588 588 ILE HA H 588 3.484 3.484 3.559 -0.075 25657 356 1 1 . 1 1 588 588 ILE CA C 588 64.025 64.025 64.520 -0.495 25657 357 1 1 . 1 1 588 588 ILE CB C 588 37.562 37.562 37.575 -0.013 25657 358 1 1 . 1 1 589 589 SER HA H 589 4.403 4.403 4.122 0.281 25657 359 1 1 . 1 1 589 589 SER CA C 589 58.477 58.477 60.745 -2.268 25657 360 1 1 . 1 1 589 589 SER CB C 589 63.314 63.314 63.657 -0.343 25657 361 1 1 . 1 1 590 590 ALA N N 590 121.916 121.916 122.993 -1.077 25657 362 1 1 . 1 1 590 590 ALA HA H 590 4.329 4.329 4.130 0.199 25657 363 1 1 . 1 1 590 590 ALA CA C 590 51.871 51.871 53.919 -2.048 25657 364 1 1 . 1 1 590 590 ALA CB C 590 19.324 19.324 19.203 0.121 25657 365 1 1 . 1 1 590 590 ALA H H 590 7.097 7.097 7.162 -0.065 25657 366 1 1 . 1 1 591 591 ILE N N 591 119.802 119.802 119.804 -0.002 25657 367 1 1 . 1 1 591 591 ILE HA H 591 4.175 4.175 4.068 0.107 25657 368 1 1 . 1 1 591 591 ILE CA C 591 61.070 61.070 60.729 0.341 25657 369 1 1 . 1 1 591 591 ILE CB C 591 38.584 38.584 38.530 0.054 25657 370 1 1 . 1 1 591 591 ILE H H 591 7.990 7.990 7.331 0.659 25657 371 1 1 . 1 1 593 593 HIS HA H 593 4.874 4.874 4.991 -0.117 25657 372 1 1 . 1 1 593 593 HIS CA C 593 53.660 53.660 53.480 0.180 25657 373 1 1 . 1 1 593 593 HIS CB C 593 30.094 30.094 31.525 -1.431 25657 374 1 1 . 1 1 594 594 PRO HA H 594 4.325 4.325 4.375 -0.050 25657 375 1 1 . 1 1 594 594 PRO CA C 594 63.355 63.355 63.232 0.123 25657 376 1 1 . 1 1 594 594 PRO CB C 594 31.940 31.940 32.535 -0.595 25657 377 1 1 . 1 1 595 595 MET N N 595 120.044 120.044 114.175 5.869 25657 378 1 1 . 1 1 595 595 MET H H 595 8.232 8.232 8.689 -0.457 25657 379 1 1 . 1 1 596 596 THR HA H 596 3.558 3.558 3.964 -0.406 25657 380 1 1 . 1 1 596 596 THR CA C 596 68.481 68.481 67.011 1.470 25657 381 1 1 . 1 1 596 596 THR CB C 596 68.225 68.225 67.680 0.545 25657 382 1 1 . 1 1 597 597 SER HA H 597 3.998 3.998 4.009 -0.011 25657 383 1 1 . 1 1 597 597 SER CA C 597 61.070 61.070 61.920 -0.850 25657 384 1 1 . 1 1 597 597 SER CB C 597 62.859 62.859 62.788 0.071 25657 385 1 1 . 1 1 598 598 ALA HA H 598 4.136 4.136 4.028 0.108 25657 386 1 1 . 1 1 598 598 ALA CA C 598 54.171 54.171 54.971 -0.800 25657 387 1 1 . 1 1 598 598 ALA CB C 598 18.141 18.141 18.172 -0.031 25657 388 1 1 . 1 1 599 599 ILE HA H 599 3.456 3.456 3.566 -0.110 25657 389 1 1 . 1 1 599 599 ILE CA C 599 66.181 66.181 64.828 1.353 25657 390 1 1 . 1 1 599 599 ILE CB C 599 37.802 37.802 37.572 0.230 25657 391 1 1 . 1 1 600 600 GLU HA H 600 3.658 3.658 3.899 -0.241 25657 392 1 1 . 1 1 600 600 GLU CA C 600 60.048 60.048 59.867 0.181 25657 393 1 1 . 1 1 600 600 GLU CB C 600 29.385 29.385 29.562 -0.177 25657 394 1 1 . 1 1 601 601 VAL HA H 601 3.735 3.735 3.757 -0.022 25657 395 1 1 . 1 1 601 601 VAL CA C 601 65.926 65.926 65.809 0.117 25657 396 1 1 . 1 1 601 601 VAL CB C 601 31.684 31.684 31.200 0.484 25657 397 1 1 . 1 1 603 603 VAL HA H 603 3.734 3.734 3.721 0.013 25657 398 1 1 . 1 1 603 603 VAL CA C 603 65.415 65.415 65.202 0.213 25657 399 1 1 . 1 1 603 603 VAL CB C 603 31.684 31.684 31.095 0.589 25657 400 1 1 . 1 1 604 604 GLY CA C 604 47.272 47.272 46.317 0.955 25657 401 1 1 . 1 1 606 606 CYS HA H 606 4.827 4.827 4.348 0.478 25657 402 1 1 . 1 1 606 606 CYS CA C 606 54.938 54.938 59.395 -4.457 25657 403 1 1 . 1 1 606 606 CYS CB C 606 33.218 33.218 25.016 8.202 25657 404 1 1 . 1 1 607 607 ALA HA H 607 4.652 4.652 4.421 0.231 25657 405 1 1 . 1 1 607 607 ALA CA C 607 54.682 54.682 51.225 3.457 25657 406 1 1 . 1 1 607 607 ALA CB C 607 19.419 19.419 19.810 -0.391 25657 407 1 2 . 1 1 484 484 LYS HA H 484 4.551 4.551 4.025 0.526 25657 408 1 2 . 1 1 484 484 LYS CA C 484 55.960 55.960 56.601 -0.641 25657 409 1 2 . 1 1 484 484 LYS CB C 484 32.962 32.962 32.825 0.137 25657 410 1 2 . 1 1 488 488 ALA HA H 488 3.926 3.926 3.974 -0.048 25657 411 1 2 . 1 1 488 488 ALA CA C 488 54.682 54.682 54.747 -0.065 25657 412 1 2 . 1 1 488 488 ALA CB C 488 18.652 18.652 17.927 0.725 25657 413 1 2 . 1 1 489 489 ALA HA H 489 3.910 3.910 4.063 -0.153 25657 414 1 2 . 1 1 489 489 ALA CA C 489 54.563 54.563 55.169 -0.606 25657 415 1 2 . 1 1 489 489 ALA CB C 489 18.733 18.733 18.289 0.444 25657 416 1 2 . 1 1 490 490 ILE HA H 490 4.120 4.120 3.837 0.283 25657 417 1 2 . 1 1 490 490 ILE CA C 490 61.752 61.752 62.422 -0.670 25657 418 1 2 . 1 1 490 490 ILE CB C 490 38.584 38.584 36.531 2.053 25657 419 1 2 . 1 1 493 493 LEU HA H 493 4.293 4.293 4.042 0.251 25657 420 1 2 . 1 1 493 493 LEU CA C 493 55.121 55.121 57.732 -2.611 25657 421 1 2 . 1 1 493 493 LEU CB C 493 42.180 42.180 41.828 0.352 25657 422 1 2 . 1 1 494 494 GLY CA C 494 47.527 47.527 47.224 0.303 25657 423 1 2 . 1 1 496 496 ALA HA H 496 4.034 4.034 4.037 -0.003 25657 424 1 2 . 1 1 496 496 ALA CA C 496 55.704 55.704 54.339 1.365 25657 425 1 2 . 1 1 496 496 ALA CB C 496 19.830 19.830 18.569 1.261 25657 426 1 2 . 1 1 497 497 PHE HA H 497 4.621 4.621 4.126 0.495 25657 427 1 2 . 1 1 497 497 PHE CA C 497 57.493 57.493 60.159 -2.666 25657 428 1 2 . 1 1 497 497 PHE CB C 497 38.584 38.584 37.650 0.934 25657 429 1 2 . 1 1 498 498 ALA HA H 498 3.822 3.822 4.131 -0.309 25657 430 1 2 . 1 1 498 498 ALA CA C 498 54.735 54.735 52.562 2.174 25657 431 1 2 . 1 1 498 498 ALA CB C 498 18.397 18.397 17.485 0.912 25657 432 1 2 . 1 1 500 500 SER N N 500 113.984 113.984 112.762 1.222 25657 433 1 2 . 1 1 500 500 SER HA H 500 4.200 4.200 4.411 -0.211 25657 434 1 2 . 1 1 500 500 SER CA C 500 60.559 60.559 58.429 2.130 25657 435 1 2 . 1 1 500 500 SER CB C 500 65.159 65.159 63.553 1.606 25657 436 1 2 . 1 1 500 500 SER H H 500 8.124 8.124 7.761 0.363 25657 437 1 2 . 1 1 501 501 LYS N N 501 118.485 118.485 120.110 -1.625 25657 438 1 2 . 1 1 501 501 LYS HA H 501 4.276 4.276 4.479 -0.203 25657 439 1 2 . 1 1 501 501 LYS CA C 501 55.960 55.960 56.419 -0.459 25657 440 1 2 . 1 1 501 501 LYS H H 501 8.419 8.419 8.490 -0.071 25657 441 1 2 . 1 1 502 502 ASN N N 502 115.874 115.874 113.826 2.048 25657 442 1 2 . 1 1 502 502 ASN HA H 502 4.275 4.275 4.714 -0.439 25657 443 1 2 . 1 1 502 502 ASN CA C 502 55.449 55.449 54.263 1.186 25657 444 1 2 . 1 1 502 502 ASN CB C 502 39.861 39.861 36.698 3.163 25657 445 1 2 . 1 1 502 502 ASN H H 502 6.247 6.247 8.339 -2.092 25657 446 1 2 . 1 1 503 503 ASP N N 503 127.293 127.293 118.398 8.895 25657 447 1 2 . 1 1 503 503 ASP HA H 503 4.551 4.551 4.676 -0.125 25657 448 1 2 . 1 1 503 503 ASP CA C 503 56.982 56.982 55.875 1.107 25657 449 1 2 . 1 1 503 503 ASP CB C 503 41.395 41.395 40.293 1.102 25657 450 1 2 . 1 1 503 503 ASP H H 503 8.734 8.734 8.607 0.127 25657 451 1 2 . 1 1 504 504 GLU N N 504 123.432 123.432 121.755 1.677 25657 452 1 2 . 1 1 504 504 GLU HA H 504 4.094 4.094 4.149 -0.055 25657 453 1 2 . 1 1 504 504 GLU CA C 504 59.282 59.282 59.186 0.096 25657 454 1 2 . 1 1 504 504 GLU CB C 504 28.618 28.618 29.146 -0.528 25657 455 1 2 . 1 1 504 504 GLU H H 504 8.208 8.208 8.575 -0.367 25657 456 1 2 . 1 1 505 505 VAL N N 505 121.171 121.171 120.157 1.014 25657 457 1 2 . 1 1 505 505 VAL HA H 505 3.284 3.284 3.834 -0.550 25657 458 1 2 . 1 1 505 505 VAL CA C 505 66.547 66.547 65.126 1.421 25657 459 1 2 . 1 1 505 505 VAL CB C 505 30.918 30.918 31.871 -0.953 25657 460 1 2 . 1 1 505 505 VAL H H 505 8.343 8.343 8.173 0.170 25657 461 1 2 . 1 1 506 506 LEU N N 506 120.468 120.468 120.289 0.179 25657 462 1 2 . 1 1 506 506 LEU HA H 506 3.956 3.956 4.108 -0.152 25657 463 1 2 . 1 1 506 506 LEU CA C 506 58.667 58.667 58.013 0.654 25657 464 1 2 . 1 1 506 506 LEU CB C 506 41.139 41.139 41.592 -0.453 25657 465 1 2 . 1 1 506 506 LEU H H 506 7.677 7.677 7.604 0.073 25657 466 1 2 . 1 1 507 507 GLY N N 507 102.846 102.846 107.076 -4.230 25657 467 1 2 . 1 1 507 507 GLY CA C 507 46.428 46.428 46.913 -0.485 25657 468 1 2 . 1 1 507 507 GLY H H 507 7.864 7.864 7.881 -0.017 25657 469 1 2 . 1 1 508 508 LEU N N 508 119.101 119.101 122.052 -2.951 25657 470 1 2 . 1 1 508 508 LEU HA H 508 4.209 4.209 4.464 -0.255 25657 471 1 2 . 1 1 508 508 LEU CA C 508 56.471 56.471 56.822 -0.351 25657 472 1 2 . 1 1 508 508 LEU CB C 508 43.362 43.362 42.474 0.888 25657 473 1 2 . 1 1 508 508 LEU H H 508 7.368 7.368 7.388 -0.020 25657 474 1 2 . 1 1 509 509 LEU N N 509 112.199 112.199 120.375 -8.176 25657 475 1 2 . 1 1 509 509 LEU HA H 509 4.387 4.387 3.913 0.474 25657 476 1 2 . 1 1 509 509 LEU CA C 509 55.073 55.073 58.183 -3.110 25657 477 1 2 . 1 1 509 509 LEU CB C 509 42.111 42.111 41.943 0.168 25657 478 1 2 . 1 1 509 509 LEU H H 509 8.043 8.043 8.518 -0.475 25657 479 1 2 . 1 1 510 510 LEU N N 510 124.597 124.597 119.783 4.814 25657 480 1 2 . 1 1 510 510 LEU HA H 510 3.986 3.986 4.037 -0.051 25657 481 1 2 . 1 1 510 510 LEU CA C 510 59.537 59.537 60.487 -0.950 25657 482 1 2 . 1 1 510 510 LEU CB C 510 38.809 38.809 38.347 0.462 25657 483 1 2 . 1 1 510 510 LEU H H 510 9.023 9.023 7.744 1.279 25657 484 1 2 . 1 1 511 511 PRO HA H 511 4.188 4.188 4.127 0.061 25657 485 1 2 . 1 1 511 511 PRO CA C 511 65.159 65.159 65.915 -0.756 25657 486 1 2 . 1 1 511 511 PRO CB C 511 31.173 31.173 31.163 0.010 25657 487 1 2 . 1 1 512 512 ILE N N 512 116.144 116.144 114.463 1.681 25657 488 1 2 . 1 1 512 512 ILE HA H 512 3.555 3.555 3.903 -0.348 25657 489 1 2 . 1 1 512 512 ILE CA C 512 63.626 63.626 63.107 0.519 25657 490 1 2 . 1 1 512 512 ILE CB C 512 37.562 37.562 37.969 -0.407 25657 491 1 2 . 1 1 512 512 ILE H H 512 6.740 6.740 7.467 -0.727 25657 492 1 2 . 1 1 513 513 ALA N N 513 120.058 120.058 121.877 -1.819 25657 493 1 2 . 1 1 513 513 ALA HA H 513 4.001 4.001 4.291 -0.290 25657 494 1 2 . 1 1 513 513 ALA CA C 513 54.684 54.684 53.985 0.699 25657 495 1 2 . 1 1 513 513 ALA CB C 513 17.961 17.961 19.220 -1.259 25657 496 1 2 . 1 1 513 513 ALA H H 513 7.742 7.742 7.928 -0.186 25657 497 1 2 . 1 1 514 514 ALA N N 514 112.305 112.305 118.899 -6.594 25657 498 1 2 . 1 1 514 514 ALA HA H 514 4.043 4.043 4.304 -0.261 25657 499 1 2 . 1 1 514 514 ALA CA C 514 51.908 51.908 52.184 -0.276 25657 500 1 2 . 1 1 514 514 ALA CB C 514 19.430 19.430 19.186 0.244 25657 501 1 2 . 1 1 514 514 ALA H H 514 7.900 7.900 7.843 0.057 25657 502 1 2 . 1 1 515 515 SER N N 515 113.093 113.093 116.056 -2.963 25657 503 1 2 . 1 1 515 515 SER HA H 515 4.372 4.372 4.514 -0.142 25657 504 1 2 . 1 1 515 515 SER CA C 515 57.781 57.781 58.142 -0.361 25657 505 1 2 . 1 1 515 515 SER CB C 515 63.115 63.115 61.890 1.225 25657 506 1 2 . 1 1 515 515 SER H H 515 7.103 7.103 7.471 -0.368 25657 507 1 2 . 1 1 516 516 THR N N 516 115.846 115.846 117.054 -1.208 25657 508 1 2 . 1 1 516 516 THR HA H 516 4.187 4.187 3.975 0.212 25657 509 1 2 . 1 1 516 516 THR CA C 516 62.093 62.093 64.136 -2.043 25657 510 1 2 . 1 1 516 516 THR CB C 516 67.714 67.714 68.769 -1.055 25657 511 1 2 . 1 1 516 516 THR H H 516 8.161 8.161 7.651 0.510 25657 512 1 2 . 1 1 517 517 ASP N N 517 118.302 118.302 118.935 -0.633 25657 513 1 2 . 1 1 517 517 ASP HA H 517 4.574 4.574 4.440 0.134 25657 514 1 2 . 1 1 517 517 ASP CA C 517 54.171 54.171 55.796 -1.625 25657 515 1 2 . 1 1 517 517 ASP CB C 517 41.139 41.139 41.057 0.082 25657 516 1 2 . 1 1 517 517 ASP H H 517 8.295 8.295 8.377 -0.082 25657 517 1 2 . 1 1 518 518 LEU N N 518 121.136 121.136 117.065 4.071 25657 518 1 2 . 1 1 518 518 LEU HA H 518 4.531 4.531 4.887 -0.356 25657 519 1 2 . 1 1 518 518 LEU CA C 518 53.050 53.050 51.802 1.248 25657 520 1 2 . 1 1 518 518 LEU CB C 518 40.884 40.884 41.653 -0.769 25657 521 1 2 . 1 1 518 518 LEU H H 518 7.150 7.150 7.611 -0.461 25657 522 1 2 . 1 1 519 519 PRO HA H 519 4.385 4.385 4.300 0.085 25657 523 1 2 . 1 1 519 519 PRO CA C 519 63.115 63.115 63.065 0.050 25657 524 1 2 . 1 1 519 519 PRO CB C 519 32.195 32.195 31.959 0.236 25657 525 1 2 . 1 1 520 520 ILE N N 520 121.919 121.919 118.644 3.275 25657 526 1 2 . 1 1 520 520 ILE HA H 520 3.760 3.760 3.745 0.015 25657 527 1 2 . 1 1 520 520 ILE CA C 520 63.881 63.881 63.872 0.009 25657 528 1 2 . 1 1 520 520 ILE CB C 520 37.817 37.817 37.447 0.370 25657 529 1 2 . 1 1 520 520 ILE H H 520 8.655 8.655 8.171 0.484 25657 530 1 2 . 1 1 522 522 THR N N 522 114.698 114.698 115.375 -0.677 25657 531 1 2 . 1 1 522 522 THR HA H 522 3.647 3.647 4.081 -0.434 25657 532 1 2 . 1 1 522 522 THR CA C 522 65.670 65.670 65.750 -0.080 25657 533 1 2 . 1 1 522 522 THR CB C 522 68.481 68.481 68.425 0.056 25657 534 1 2 . 1 1 522 522 THR H H 522 6.636 6.636 7.445 -0.809 25657 535 1 2 . 1 1 523 523 ALA N N 523 122.860 122.860 122.923 -0.063 25657 536 1 2 . 1 1 523 523 ALA HA H 523 3.940 3.940 4.123 -0.183 25657 537 1 2 . 1 1 523 523 ALA CA C 523 55.415 55.415 54.378 1.037 25657 538 1 2 . 1 1 523 523 ALA CB C 523 18.392 18.392 17.990 0.402 25657 539 1 2 . 1 1 523 523 ALA H H 523 7.251 7.251 7.499 -0.248 25657 540 1 2 . 1 1 524 524 ALA N N 524 121.541 121.541 122.361 -0.820 25657 541 1 2 . 1 1 524 524 ALA HA H 524 3.933 3.933 4.031 -0.098 25657 542 1 2 . 1 1 524 524 ALA CA C 524 55.193 55.193 55.275 -0.082 25657 543 1 2 . 1 1 524 524 ALA CB C 524 18.652 18.652 18.322 0.330 25657 544 1 2 . 1 1 524 524 ALA H H 524 9.218 9.218 8.664 0.554 25657 545 1 2 . 1 1 526 526 ALA HA H 526 3.886 3.886 3.916 -0.030 25657 546 1 2 . 1 1 526 526 ALA CA C 526 55.544 55.544 55.288 0.256 25657 547 1 2 . 1 1 526 526 ALA CB C 526 18.113 18.113 17.819 0.294 25657 548 1 2 . 1 1 527 527 SER HA H 527 3.932 3.932 4.145 -0.213 25657 549 1 2 . 1 1 527 527 SER CA C 527 60.304 60.304 61.398 -1.095 25657 550 1 2 . 1 1 527 527 SER CB C 527 62.859 62.859 63.069 -0.210 25657 551 1 2 . 1 1 528 528 LEU HA H 528 4.030 4.030 3.944 0.086 25657 552 1 2 . 1 1 528 528 LEU CA C 528 57.252 57.252 57.957 -0.705 25657 553 1 2 . 1 1 528 528 LEU CB C 528 41.555 41.555 41.804 -0.249 25657 554 1 2 . 1 1 529 529 ALA HA H 529 4.312 4.312 3.914 0.398 25657 555 1 2 . 1 1 529 529 ALA CA C 529 52.127 52.127 54.916 -2.788 25657 556 1 2 . 1 1 529 529 ALA CB C 529 18.908 18.908 18.295 0.613 25657 557 1 2 . 1 1 530 530 LEU HA H 530 3.931 3.931 3.714 0.217 25657 558 1 2 . 1 1 530 530 LEU CA C 530 57.493 57.493 57.742 -0.249 25657 559 1 2 . 1 1 530 530 LEU CB C 530 42.161 42.161 41.781 0.380 25657 560 1 2 . 1 1 531 531 ALA N N 531 121.603 121.603 120.377 1.226 25657 561 1 2 . 1 1 531 531 ALA HA H 531 3.874 3.874 4.012 -0.138 25657 562 1 2 . 1 1 531 531 ALA CA C 531 55.704 55.704 54.956 0.748 25657 563 1 2 . 1 1 531 531 ALA CB C 531 19.842 19.842 17.999 1.843 25657 564 1 2 . 1 1 531 531 ALA H H 531 8.675 8.675 7.630 1.045 25657 565 1 2 . 1 1 533 533 VAL HA H 533 4.073 4.073 3.811 0.262 25657 566 1 2 . 1 1 533 533 VAL CA C 533 66.437 66.437 65.816 0.621 25657 567 1 2 . 1 1 533 533 VAL CB C 533 31.684 31.684 31.741 -0.057 25657 568 1 2 . 1 1 535 535 VAL N N 535 125.207 125.207 119.043 6.164 25657 569 1 2 . 1 1 535 535 VAL HA H 535 4.047 4.047 3.689 0.358 25657 570 1 2 . 1 1 535 535 VAL CA C 535 62.093 62.093 63.756 -1.663 25657 571 1 2 . 1 1 535 535 VAL CB C 535 30.918 30.918 31.616 -0.698 25657 572 1 2 . 1 1 535 535 VAL H H 535 6.624 6.624 7.628 -1.004 25657 573 1 2 . 1 1 536 536 GLY N N 536 116.145 116.145 108.730 7.415 25657 574 1 2 . 1 1 536 536 GLY CA C 536 45.994 45.994 45.602 0.392 25657 575 1 2 . 1 1 536 536 GLY H H 536 7.749 7.749 7.941 -0.192 25657 576 1 2 . 1 1 537 537 THR N N 537 116.707 116.707 111.279 5.428 25657 577 1 2 . 1 1 537 537 THR HA H 537 4.262 4.262 4.650 -0.388 25657 578 1 2 . 1 1 537 537 THR CA C 537 62.604 62.604 60.158 2.446 25657 579 1 2 . 1 1 537 537 THR CB C 537 72.058 72.058 71.376 0.682 25657 580 1 2 . 1 1 537 537 THR H H 537 7.962 7.962 7.271 0.691 25657 581 1 2 . 1 1 538 538 CYS N N 538 114.912 114.912 119.322 -4.410 25657 582 1 2 . 1 1 538 538 CYS HA H 538 4.308 4.308 4.802 -0.494 25657 583 1 2 . 1 1 538 538 CYS CB C 538 36.284 36.284 29.410 6.874 25657 584 1 2 . 1 1 538 538 CYS H H 538 8.598 8.598 8.463 0.135 25657 585 1 2 . 1 1 539 539 ASN N N 539 114.935 114.935 123.165 -8.230 25657 586 1 2 . 1 1 539 539 ASN HA H 539 4.121 4.121 4.828 -0.707 25657 587 1 2 . 1 1 539 539 ASN CA C 539 56.215 56.215 53.766 2.449 25657 588 1 2 . 1 1 539 539 ASN CB C 539 40.628 40.628 40.386 0.242 25657 589 1 2 . 1 1 539 539 ASN H H 539 6.886 6.886 8.553 -1.667 25657 590 1 2 . 1 1 540 540 GLY N N 540 120.207 120.207 110.930 9.277 25657 591 1 2 . 1 1 540 540 GLY CA C 540 47.527 47.527 46.031 1.496 25657 592 1 2 . 1 1 540 540 GLY H H 540 9.345 9.345 8.664 0.681 25657 593 1 2 . 1 1 541 541 ASP N N 541 123.940 123.940 121.293 2.647 25657 594 1 2 . 1 1 541 541 ASP HA H 541 4.442 4.442 4.343 0.099 25657 595 1 2 . 1 1 541 541 ASP CA C 541 57.493 57.493 56.410 1.083 25657 596 1 2 . 1 1 541 541 ASP CB C 541 39.861 39.861 40.661 -0.800 25657 597 1 2 . 1 1 541 541 ASP H H 541 7.768 7.768 8.584 -0.816 25657 598 1 2 . 1 1 542 542 ILE N N 542 121.748 121.748 118.649 3.099 25657 599 1 2 . 1 1 542 542 ILE HA H 542 3.423 3.423 3.675 -0.252 25657 600 1 2 . 1 1 542 542 ILE CA C 542 64.903 64.903 64.634 0.269 25657 601 1 2 . 1 1 542 542 ILE CB C 542 37.562 37.562 37.883 -0.321 25657 602 1 2 . 1 1 542 542 ILE H H 542 8.866 8.866 7.228 1.638 25657 603 1 2 . 1 1 543 543 THR N N 543 117.103 117.103 114.389 2.714 25657 604 1 2 . 1 1 543 543 THR HA H 543 3.535 3.535 4.059 -0.524 25657 605 1 2 . 1 1 543 543 THR CA C 543 68.481 68.481 67.119 1.362 25657 606 1 2 . 1 1 543 543 THR CB C 543 68.481 68.481 68.120 0.361 25657 607 1 2 . 1 1 543 543 THR H H 543 8.047 8.047 8.301 -0.254 25657 608 1 2 . 1 1 544 544 THR N N 544 117.176 117.176 118.034 -0.858 25657 609 1 2 . 1 1 544 544 THR HA H 544 3.749 3.749 4.064 -0.315 25657 610 1 2 . 1 1 544 544 THR CA C 544 66.692 66.692 66.887 -0.195 25657 611 1 2 . 1 1 544 544 THR CB C 544 68.736 68.736 68.577 0.159 25657 612 1 2 . 1 1 544 544 THR H H 544 8.240 8.240 7.464 0.776 25657 613 1 2 . 1 1 545 545 SER N N 545 117.103 117.103 118.235 -1.132 25657 614 1 2 . 1 1 545 545 SER HA H 545 4.165 4.165 4.223 -0.058 25657 615 1 2 . 1 1 545 545 SER CA C 545 62.348 62.348 61.840 0.508 25657 616 1 2 . 1 1 545 545 SER CB C 545 62.348 62.348 62.126 0.222 25657 617 1 2 . 1 1 545 545 SER H H 545 7.407 7.407 7.688 -0.281 25657 618 1 2 . 1 1 546 546 ILE N N 546 122.380 122.380 123.806 -1.426 25657 619 1 2 . 1 1 546 546 ILE HA H 546 3.463 3.463 3.676 -0.213 25657 620 1 2 . 1 1 546 546 ILE CA C 546 66.242 66.242 65.332 0.910 25657 621 1 2 . 1 1 546 546 ILE CB C 546 38.328 38.328 37.967 0.361 25657 622 1 2 . 1 1 546 546 ILE H H 546 7.830 7.830 8.364 -0.534 25657 623 1 2 . 1 1 547 547 MET N N 547 117.942 117.942 118.948 -1.006 25657 624 1 2 . 1 1 547 547 MET HA H 547 4.498 4.498 4.120 0.378 25657 625 1 2 . 1 1 547 547 MET CA C 547 56.982 56.982 58.995 -2.013 25657 626 1 2 . 1 1 547 547 MET CB C 547 30.197 30.197 32.319 -2.122 25657 627 1 2 . 1 1 547 547 MET H H 547 8.524 8.524 7.951 0.573 25657 628 1 2 . 1 1 548 548 ASP N N 548 119.475 119.475 119.774 -0.299 25657 629 1 2 . 1 1 548 548 ASP HA H 548 4.497 4.497 4.259 0.238 25657 630 1 2 . 1 1 548 548 ASP CA C 548 57.493 57.493 58.234 -0.741 25657 631 1 2 . 1 1 548 548 ASP CB C 548 39.350 39.350 40.850 -1.500 25657 632 1 2 . 1 1 548 548 ASP H H 548 8.820 8.820 8.262 0.558 25657 633 1 2 . 1 1 549 549 ASN N N 549 116.905 116.905 117.446 -0.541 25657 634 1 2 . 1 1 549 549 ASN HA H 549 4.141 4.141 4.450 -0.309 25657 635 1 2 . 1 1 549 549 ASN CA C 549 57.493 57.493 56.479 1.014 25657 636 1 2 . 1 1 549 549 ASN CB C 549 41.139 41.139 38.670 2.469 25657 637 1 2 . 1 1 549 549 ASN H H 549 7.443 7.443 8.205 -0.762 25657 638 1 2 . 1 1 550 550 PHE N N 550 115.303 115.303 121.788 -6.485 25657 639 1 2 . 1 1 550 550 PHE HA H 550 4.384 4.384 4.277 0.107 25657 640 1 2 . 1 1 550 550 PHE CA C 550 60.815 60.815 61.182 -0.367 25657 641 1 2 . 1 1 550 550 PHE CB C 550 39.409 39.409 39.025 0.384 25657 642 1 2 . 1 1 550 550 PHE H H 550 7.283 7.283 7.980 -0.697 25657 643 1 2 . 1 1 551 551 LEU N N 551 117.577 117.577 116.976 0.601 25657 644 1 2 . 1 1 551 551 LEU HA H 551 4.313 4.313 4.156 0.157 25657 645 1 2 . 1 1 551 551 LEU CA C 551 56.471 56.471 57.732 -1.261 25657 646 1 2 . 1 1 551 551 LEU CB C 551 43.183 43.183 40.899 2.284 25657 647 1 2 . 1 1 551 551 LEU H H 551 8.274 8.274 8.119 0.155 25657 648 1 2 . 1 1 552 552 GLU N N 552 115.846 115.846 117.951 -2.105 25657 649 1 2 . 1 1 552 552 GLU HA H 552 3.942 3.942 4.280 -0.338 25657 650 1 2 . 1 1 552 552 GLU CA C 552 59.282 59.282 57.075 2.207 25657 651 1 2 . 1 1 552 552 GLU CB C 552 29.103 29.103 30.511 -1.408 25657 652 1 2 . 1 1 552 552 GLU H H 552 8.161 8.161 7.394 0.767 25657 653 1 2 . 1 1 553 553 ARG N N 553 116.743 116.743 118.375 -1.632 25657 654 1 2 . 1 1 553 553 ARG HA H 553 4.574 4.574 4.051 0.523 25657 655 1 2 . 1 1 553 553 ARG CA C 553 55.960 55.960 56.868 -0.908 25657 656 1 2 . 1 1 553 553 ARG CB C 553 30.662 30.662 29.314 1.348 25657 657 1 2 . 1 1 553 553 ARG H H 553 6.884 6.884 8.221 -1.337 25657 658 1 2 . 1 1 554 554 THR N N 554 110.707 110.707 114.054 -3.347 25657 659 1 2 . 1 1 554 554 THR HA H 554 4.389 4.389 4.377 0.012 25657 660 1 2 . 1 1 554 554 THR CA C 554 61.070 61.070 60.938 0.132 25657 661 1 2 . 1 1 554 554 THR CB C 554 71.292 71.292 70.281 1.012 25657 662 1 2 . 1 1 554 554 THR H H 554 8.620 8.620 7.874 0.746 25657 663 1 2 . 1 1 555 555 ALA N N 555 122.620 122.620 124.005 -1.385 25657 664 1 2 . 1 1 555 555 ALA HA H 555 4.096 4.096 4.066 0.030 25657 665 1 2 . 1 1 555 555 ALA CA C 555 55.354 55.354 54.475 0.879 25657 666 1 2 . 1 1 555 555 ALA CB C 555 18.127 18.127 17.935 0.192 25657 667 1 2 . 1 1 555 555 ALA H H 555 8.682 8.682 8.861 -0.179 25657 668 1 2 . 1 1 556 556 ILE N N 556 114.464 114.464 119.651 -5.187 25657 669 1 2 . 1 1 556 556 ILE HA H 556 3.889 3.889 3.686 0.203 25657 670 1 2 . 1 1 556 556 ILE CA C 556 63.370 63.370 62.851 0.519 25657 671 1 2 . 1 1 556 556 ILE CB C 556 38.073 38.073 37.319 0.754 25657 672 1 2 . 1 1 556 556 ILE H H 556 7.702 7.702 7.961 -0.259 25657 673 1 2 . 1 1 557 557 GLU N N 557 121.301 121.301 119.724 1.577 25657 674 1 2 . 1 1 557 557 GLU HA H 557 4.256 4.256 4.194 0.062 25657 675 1 2 . 1 1 557 557 GLU CA C 557 58.771 58.771 58.520 0.251 25657 676 1 2 . 1 1 557 557 GLU CB C 557 31.316 31.316 29.147 2.169 25657 677 1 2 . 1 1 557 557 GLU H H 557 7.545 7.545 7.956 -0.411 25657 678 1 2 . 1 1 558 558 LEU N N 558 118.899 118.899 114.793 4.106 25657 679 1 2 . 1 1 558 558 LEU HA H 558 4.062 4.062 4.262 -0.200 25657 680 1 2 . 1 1 558 558 LEU CA C 558 58.004 58.004 56.089 1.915 25657 681 1 2 . 1 1 558 558 LEU CB C 558 42.417 42.417 41.743 0.674 25657 682 1 2 . 1 1 558 558 LEU H H 558 7.829 7.829 7.737 0.092 25657 683 1 2 . 1 1 562 562 TRP HA H 562 4.366 4.366 4.781 -0.415 25657 684 1 2 . 1 1 562 562 TRP CA C 562 59.793 59.793 58.815 0.978 25657 685 1 2 . 1 1 562 562 TRP CB C 562 28.874 28.874 28.411 0.463 25657 686 1 2 . 1 1 563 563 VAL HA H 563 3.659 3.659 2.479 1.180 25657 687 1 2 . 1 1 563 563 VAL CA C 563 65.926 65.926 65.534 0.392 25657 688 1 2 . 1 1 563 563 VAL CB C 563 31.429 31.429 30.619 0.810 25657 689 1 2 . 1 1 564 564 ARG HA H 564 4.273 4.273 3.785 0.488 25657 690 1 2 . 1 1 564 564 ARG CA C 564 56.982 56.982 59.037 -2.055 25657 691 1 2 . 1 1 564 564 ARG CB C 564 30.151 30.151 29.501 0.650 25657 692 1 2 . 1 1 566 566 LEU HA H 566 4.057 4.057 3.840 0.217 25657 693 1 2 . 1 1 566 566 LEU CA C 566 57.749 57.749 57.892 -0.144 25657 694 1 2 . 1 1 566 566 LEU CB C 566 41.139 41.139 41.112 0.027 25657 695 1 2 . 1 1 567 567 ALA HA H 567 4.004 4.004 3.951 0.053 25657 696 1 2 . 1 1 567 567 ALA CA C 567 54.427 54.427 55.202 -0.775 25657 697 1 2 . 1 1 567 567 ALA CB C 567 19.419 19.419 18.125 1.294 25657 698 1 2 . 1 1 569 569 ALA N N 569 123.940 123.940 122.209 1.731 25657 699 1 2 . 1 1 569 569 ALA HA H 569 3.741 3.741 3.888 -0.147 25657 700 1 2 . 1 1 569 569 ALA CB C 569 17.725 17.725 18.344 -0.619 25657 701 1 2 . 1 1 570 570 LEU N N 570 117.193 117.193 117.524 -0.331 25657 702 1 2 . 1 1 570 570 LEU HA H 570 4.039 4.039 3.802 0.237 25657 703 1 2 . 1 1 570 570 LEU CA C 570 57.749 57.749 56.745 1.004 25657 704 1 2 . 1 1 570 570 LEU CB C 570 41.906 41.906 41.742 0.164 25657 705 1 2 . 1 1 570 570 LEU H H 570 7.636 7.636 8.134 -0.498 25657 706 1 2 . 1 1 573 573 LEU N N 573 123.340 123.340 121.590 1.750 25657 707 1 2 . 1 1 573 573 LEU HA H 573 4.150 4.150 3.823 0.327 25657 708 1 2 . 1 1 573 573 LEU CA C 573 57.757 57.757 57.461 0.296 25657 709 1 2 . 1 1 573 573 LEU CB C 573 42.417 42.417 41.644 0.773 25657 710 1 2 . 1 1 573 573 LEU H H 573 8.510 8.510 8.031 0.479 25657 711 1 2 . 1 1 574 574 TYR N N 574 114.647 114.647 112.728 1.919 25657 712 1 2 . 1 1 574 574 TYR H H 574 7.510 7.510 7.090 0.420 25657 713 1 2 . 1 1 575 575 MET N N 575 123.163 123.163 113.412 9.751 25657 714 1 2 . 1 1 575 575 MET HA H 575 4.363 4.363 3.909 0.454 25657 715 1 2 . 1 1 575 575 MET CA C 575 55.449 55.449 56.816 -1.367 25657 716 1 2 . 1 1 575 575 MET CB C 575 29.385 29.385 29.870 -0.485 25657 717 1 2 . 1 1 575 575 MET H H 575 7.209 7.209 8.381 -1.172 25657 718 1 2 . 1 1 579 579 GLU N N 579 123.708 123.708 123.202 0.506 25657 719 1 2 . 1 1 579 579 GLU HA H 579 4.402 4.402 3.892 0.510 25657 720 1 2 . 1 1 579 579 GLU CA C 579 57.749 57.749 59.196 -1.446 25657 721 1 2 . 1 1 579 579 GLU CB C 579 29.193 29.193 29.660 -0.467 25657 722 1 2 . 1 1 579 579 GLU H H 579 8.893 8.893 8.797 0.096 25657 723 1 2 . 1 1 580 580 GLN N N 580 119.901 119.901 118.346 1.555 25657 724 1 2 . 1 1 580 580 GLN HA H 580 4.231 4.231 4.033 0.198 25657 725 1 2 . 1 1 580 580 GLN CA C 580 58.200 58.200 58.693 -0.493 25657 726 1 2 . 1 1 580 580 GLN CB C 580 29.385 29.385 27.890 1.495 25657 727 1 2 . 1 1 580 580 GLN H H 580 7.768 7.768 8.218 -0.450 25657 728 1 2 . 1 1 581 581 VAL N N 581 118.005 118.005 119.461 -1.456 25657 729 1 2 . 1 1 581 581 VAL HA H 581 3.786 3.786 3.042 0.744 25657 730 1 2 . 1 1 581 581 VAL CA C 581 61.326 61.326 67.469 -6.143 25657 731 1 2 . 1 1 581 581 VAL CB C 581 34.495 34.495 31.120 3.375 25657 732 1 2 . 1 1 581 581 VAL H H 581 8.874 8.874 8.204 0.670 25657 733 1 2 . 1 1 582 582 ASP N N 582 123.700 123.700 118.614 5.086 25657 734 1 2 . 1 1 582 582 ASP HA H 582 4.161 4.161 4.201 -0.040 25657 735 1 2 . 1 1 582 582 ASP CA C 582 58.260 58.260 57.823 0.437 25657 736 1 2 . 1 1 582 582 ASP CB C 582 39.355 39.355 40.805 -1.450 25657 737 1 2 . 1 1 582 582 ASP H H 582 7.604 7.604 8.049 -0.445 25657 738 1 2 . 1 1 583 583 ASP N N 583 119.292 119.292 119.676 -0.384 25657 739 1 2 . 1 1 583 583 ASP HA H 583 4.546 4.546 4.452 0.094 25657 740 1 2 . 1 1 583 583 ASP CA C 583 54.938 54.938 56.861 -1.923 25657 741 1 2 . 1 1 583 583 ASP CB C 583 40.628 40.628 40.856 -0.229 25657 742 1 2 . 1 1 583 583 ASP H H 583 8.376 8.376 7.376 1.000 25657 743 1 2 . 1 1 584 584 VAL N N 584 121.900 121.900 120.477 1.423 25657 744 1 2 . 1 1 584 584 VAL HA H 584 3.727 3.727 3.460 0.267 25657 745 1 2 . 1 1 584 584 VAL CA C 584 65.159 65.159 66.880 -1.721 25657 746 1 2 . 1 1 584 584 VAL CB C 584 31.429 31.429 31.768 -0.339 25657 747 1 2 . 1 1 584 584 VAL H H 584 7.732 7.732 7.878 -0.146 25657 748 1 2 . 1 1 585 585 LEU N N 585 119.481 119.481 118.703 0.778 25657 749 1 2 . 1 1 585 585 LEU HA H 585 3.879 3.879 3.714 0.165 25657 750 1 2 . 1 1 585 585 LEU CA C 585 57.493 57.493 57.893 -0.400 25657 751 1 2 . 1 1 585 585 LEU CB C 585 40.628 40.628 41.081 -0.453 25657 752 1 2 . 1 1 585 585 LEU H H 585 8.018 8.018 8.237 -0.219 25657 753 1 2 . 1 1 586 586 GLU N N 586 118.081 118.081 118.413 -0.332 25657 754 1 2 . 1 1 586 586 GLU HA H 586 4.283 4.283 3.965 0.318 25657 755 1 2 . 1 1 586 586 GLU CA C 586 55.704 55.704 59.517 -3.813 25657 756 1 2 . 1 1 586 586 GLU CB C 586 29.129 29.129 29.052 0.077 25657 757 1 2 . 1 1 586 586 GLU H H 586 7.729 7.729 7.912 -0.183 25657 758 1 2 . 1 1 587 587 THR HA H 587 3.882 3.882 3.953 -0.071 25657 759 1 2 . 1 1 587 587 THR CA C 587 66.400 66.400 66.826 -0.426 25657 760 1 2 . 1 1 587 587 THR CB C 587 68.288 68.288 68.693 -0.405 25657 761 1 2 . 1 1 588 588 ILE HA H 588 3.484 3.484 3.534 -0.050 25657 762 1 2 . 1 1 588 588 ILE CA C 588 64.025 64.025 64.996 -0.971 25657 763 1 2 . 1 1 588 588 ILE CB C 588 37.562 37.562 37.447 0.115 25657 764 1 2 . 1 1 589 589 SER HA H 589 4.403 4.403 4.185 0.218 25657 765 1 2 . 1 1 589 589 SER CA C 589 58.477 58.477 60.936 -2.459 25657 766 1 2 . 1 1 589 589 SER CB C 589 63.314 63.314 63.435 -0.121 25657 767 1 2 . 1 1 590 590 ALA N N 590 121.916 121.916 125.235 -3.319 25657 768 1 2 . 1 1 590 590 ALA HA H 590 4.329 4.329 4.128 0.201 25657 769 1 2 . 1 1 590 590 ALA CA C 590 51.871 51.871 54.126 -2.255 25657 770 1 2 . 1 1 590 590 ALA CB C 590 19.324 19.324 18.947 0.377 25657 771 1 2 . 1 1 590 590 ALA H H 590 7.097 7.097 7.755 -0.658 25657 772 1 2 . 1 1 591 591 ILE N N 591 119.802 119.802 118.476 1.326 25657 773 1 2 . 1 1 591 591 ILE HA H 591 4.175 4.175 4.161 0.014 25657 774 1 2 . 1 1 591 591 ILE CA C 591 61.070 61.070 60.703 0.367 25657 775 1 2 . 1 1 591 591 ILE CB C 591 38.584 38.584 39.062 -0.478 25657 776 1 2 . 1 1 591 591 ILE H H 591 7.990 7.990 7.462 0.528 25657 777 1 2 . 1 1 593 593 HIS HA H 593 4.874 4.874 4.867 0.007 25657 778 1 2 . 1 1 593 593 HIS CA C 593 53.660 53.660 54.260 -0.600 25657 779 1 2 . 1 1 593 593 HIS CB C 593 30.094 30.094 30.555 -0.461 25657 780 1 2 . 1 1 594 594 PRO HA H 594 4.325 4.325 4.456 -0.131 25657 781 1 2 . 1 1 594 594 PRO CA C 594 63.355 63.355 64.150 -0.795 25657 782 1 2 . 1 1 594 594 PRO CB C 594 31.940 31.940 32.453 -0.512 25657 783 1 2 . 1 1 595 595 MET N N 595 120.044 120.044 116.588 3.456 25657 784 1 2 . 1 1 595 595 MET H H 595 8.232 8.232 7.729 0.503 25657 785 1 2 . 1 1 596 596 THR HA H 596 3.558 3.558 3.898 -0.340 25657 786 1 2 . 1 1 596 596 THR CA C 596 68.481 68.481 66.313 2.168 25657 787 1 2 . 1 1 596 596 THR CB C 596 68.225 68.225 67.871 0.353 25657 788 1 2 . 1 1 597 597 SER HA H 597 3.998 3.998 4.001 -0.003 25657 789 1 2 . 1 1 597 597 SER CA C 597 61.070 61.070 61.377 -0.307 25657 790 1 2 . 1 1 597 597 SER CB C 597 62.859 62.859 62.595 0.264 25657 791 1 2 . 1 1 598 598 ALA HA H 598 4.136 4.136 4.123 0.013 25657 792 1 2 . 1 1 598 598 ALA CA C 598 54.171 54.171 54.973 -0.802 25657 793 1 2 . 1 1 598 598 ALA CB C 598 18.141 18.141 18.270 -0.129 25657 794 1 2 . 1 1 599 599 ILE HA H 599 3.456 3.456 3.620 -0.164 25657 795 1 2 . 1 1 599 599 ILE CA C 599 66.181 66.181 64.434 1.747 25657 796 1 2 . 1 1 599 599 ILE CB C 599 37.802 37.802 37.675 0.127 25657 797 1 2 . 1 1 600 600 GLU HA H 600 3.658 3.658 3.962 -0.304 25657 798 1 2 . 1 1 600 600 GLU CA C 600 60.048 60.048 60.112 -0.064 25657 799 1 2 . 1 1 600 600 GLU CB C 600 29.385 29.385 29.579 -0.195 25657 800 1 2 . 1 1 601 601 VAL HA H 601 3.735 3.735 3.646 0.089 25657 801 1 2 . 1 1 601 601 VAL CA C 601 65.926 65.926 66.078 -0.152 25657 802 1 2 . 1 1 601 601 VAL CB C 601 31.684 31.684 31.740 -0.056 25657 803 1 2 . 1 1 603 603 VAL HA H 603 3.734 3.734 3.721 0.013 25657 804 1 2 . 1 1 603 603 VAL CA C 603 65.415 65.415 65.448 -0.033 25657 805 1 2 . 1 1 603 603 VAL CB C 603 31.684 31.684 31.132 0.552 25657 806 1 2 . 1 1 604 604 GLY CA C 604 47.272 47.272 45.716 1.556 25657 807 1 2 . 1 1 606 606 CYS HA H 606 4.827 4.827 4.268 0.559 25657 808 1 2 . 1 1 606 606 CYS CA C 606 54.938 54.938 59.466 -4.528 25657 809 1 2 . 1 1 606 606 CYS CB C 606 33.218 33.218 25.167 8.051 25657 810 1 2 . 1 1 607 607 ALA HA H 607 4.652 4.652 4.349 0.303 25657 811 1 2 . 1 1 607 607 ALA CA C 607 54.682 54.682 51.068 3.614 25657 812 1 2 . 1 1 607 607 ALA CB C 607 19.419 19.419 20.075 -0.656 25657 813 1 3 . 1 1 484 484 LYS HA H 484 4.551 4.551 4.248 0.303 25657 814 1 3 . 1 1 484 484 LYS CA C 484 55.960 55.960 56.240 -0.280 25657 815 1 3 . 1 1 484 484 LYS CB C 484 32.962 32.962 32.762 0.200 25657 816 1 3 . 1 1 488 488 ALA HA H 488 3.926 3.926 4.083 -0.157 25657 817 1 3 . 1 1 488 488 ALA CA C 488 54.682 54.682 54.480 0.202 25657 818 1 3 . 1 1 488 488 ALA CB C 488 18.652 18.652 18.078 0.575 25657 819 1 3 . 1 1 489 489 ALA HA H 489 3.910 3.910 4.051 -0.141 25657 820 1 3 . 1 1 489 489 ALA CA C 489 54.563 54.563 54.746 -0.183 25657 821 1 3 . 1 1 489 489 ALA CB C 489 18.733 18.733 18.404 0.329 25657 822 1 3 . 1 1 490 490 ILE HA H 490 4.120 4.120 3.631 0.489 25657 823 1 3 . 1 1 490 490 ILE CA C 490 61.752 61.752 64.515 -2.763 25657 824 1 3 . 1 1 490 490 ILE CB C 490 38.584 38.584 37.658 0.926 25657 825 1 3 . 1 1 493 493 LEU HA H 493 4.293 4.293 3.922 0.371 25657 826 1 3 . 1 1 493 493 LEU CA C 493 55.121 55.121 56.595 -1.474 25657 827 1 3 . 1 1 493 493 LEU CB C 493 42.180 42.180 41.760 0.420 25657 828 1 3 . 1 1 494 494 GLY CA C 494 47.527 47.527 46.262 1.265 25657 829 1 3 . 1 1 496 496 ALA HA H 496 4.034 4.034 3.978 0.056 25657 830 1 3 . 1 1 496 496 ALA CA C 496 55.704 55.704 54.792 0.912 25657 831 1 3 . 1 1 496 496 ALA CB C 496 19.830 19.830 18.021 1.809 25657 832 1 3 . 1 1 497 497 PHE HA H 497 4.621 4.621 4.131 0.490 25657 833 1 3 . 1 1 497 497 PHE CA C 497 57.493 57.493 56.995 0.498 25657 834 1 3 . 1 1 497 497 PHE CB C 497 38.584 38.584 36.825 1.759 25657 835 1 3 . 1 1 498 498 ALA HA H 498 3.822 3.822 4.310 -0.488 25657 836 1 3 . 1 1 498 498 ALA CA C 498 54.735 54.735 51.972 2.763 25657 837 1 3 . 1 1 498 498 ALA CB C 498 18.397 18.397 18.419 -0.022 25657 838 1 3 . 1 1 500 500 SER N N 500 113.984 113.984 113.290 0.694 25657 839 1 3 . 1 1 500 500 SER HA H 500 4.200 4.200 4.461 -0.261 25657 840 1 3 . 1 1 500 500 SER CA C 500 60.559 60.559 58.776 1.784 25657 841 1 3 . 1 1 500 500 SER CB C 500 65.159 65.159 64.495 0.664 25657 842 1 3 . 1 1 500 500 SER H H 500 8.124 8.124 8.086 0.038 25657 843 1 3 . 1 1 501 501 LYS N N 501 118.485 118.485 120.977 -2.492 25657 844 1 3 . 1 1 501 501 LYS HA H 501 4.276 4.276 4.335 -0.059 25657 845 1 3 . 1 1 501 501 LYS CA C 501 55.960 55.960 56.441 -0.481 25657 846 1 3 . 1 1 501 501 LYS H H 501 8.419 8.419 8.617 -0.198 25657 847 1 3 . 1 1 502 502 ASN N N 502 115.874 115.874 113.022 2.852 25657 848 1 3 . 1 1 502 502 ASN HA H 502 4.275 4.275 4.700 -0.425 25657 849 1 3 . 1 1 502 502 ASN CA C 502 55.449 55.449 53.995 1.454 25657 850 1 3 . 1 1 502 502 ASN CB C 502 39.861 39.861 36.868 2.993 25657 851 1 3 . 1 1 502 502 ASN H H 502 6.247 6.247 8.200 -1.953 25657 852 1 3 . 1 1 503 503 ASP N N 503 127.293 127.293 116.716 10.577 25657 853 1 3 . 1 1 503 503 ASP HA H 503 4.551 4.551 4.580 -0.029 25657 854 1 3 . 1 1 503 503 ASP CA C 503 56.982 56.982 56.552 0.430 25657 855 1 3 . 1 1 503 503 ASP CB C 503 41.395 41.395 39.978 1.417 25657 856 1 3 . 1 1 503 503 ASP H H 503 8.734 8.734 8.689 0.045 25657 857 1 3 . 1 1 504 504 GLU N N 504 123.432 123.432 121.701 1.731 25657 858 1 3 . 1 1 504 504 GLU HA H 504 4.094 4.094 4.086 0.008 25657 859 1 3 . 1 1 504 504 GLU CA C 504 59.282 59.282 59.523 -0.240 25657 860 1 3 . 1 1 504 504 GLU CB C 504 28.618 28.618 29.521 -0.903 25657 861 1 3 . 1 1 504 504 GLU H H 504 8.208 8.208 8.533 -0.325 25657 862 1 3 . 1 1 505 505 VAL N N 505 121.171 121.171 119.080 2.091 25657 863 1 3 . 1 1 505 505 VAL HA H 505 3.284 3.284 3.870 -0.586 25657 864 1 3 . 1 1 505 505 VAL CA C 505 66.547 66.547 65.082 1.465 25657 865 1 3 . 1 1 505 505 VAL CB C 505 30.918 30.918 31.908 -0.990 25657 866 1 3 . 1 1 505 505 VAL H H 505 8.343 8.343 8.125 0.218 25657 867 1 3 . 1 1 506 506 LEU N N 506 120.468 120.468 121.664 -1.196 25657 868 1 3 . 1 1 506 506 LEU HA H 506 3.956 3.956 4.243 -0.287 25657 869 1 3 . 1 1 506 506 LEU CA C 506 58.667 58.667 58.416 0.251 25657 870 1 3 . 1 1 506 506 LEU CB C 506 41.139 41.139 41.864 -0.725 25657 871 1 3 . 1 1 506 506 LEU H H 506 7.677 7.677 7.485 0.192 25657 872 1 3 . 1 1 507 507 GLY N N 507 102.846 102.846 106.914 -4.068 25657 873 1 3 . 1 1 507 507 GLY CA C 507 46.428 46.428 47.364 -0.936 25657 874 1 3 . 1 1 507 507 GLY H H 507 7.864 7.864 8.396 -0.532 25657 875 1 3 . 1 1 508 508 LEU N N 508 119.101 119.101 121.549 -2.448 25657 876 1 3 . 1 1 508 508 LEU HA H 508 4.209 4.209 4.439 -0.230 25657 877 1 3 . 1 1 508 508 LEU CA C 508 56.471 56.471 57.002 -0.531 25657 878 1 3 . 1 1 508 508 LEU CB C 508 43.362 43.362 42.535 0.827 25657 879 1 3 . 1 1 508 508 LEU H H 508 7.368 7.368 7.364 0.004 25657 880 1 3 . 1 1 509 509 LEU N N 509 112.199 112.199 120.206 -8.007 25657 881 1 3 . 1 1 509 509 LEU HA H 509 4.387 4.387 3.897 0.490 25657 882 1 3 . 1 1 509 509 LEU CA C 509 55.073 55.073 58.351 -3.278 25657 883 1 3 . 1 1 509 509 LEU CB C 509 42.111 42.111 41.830 0.282 25657 884 1 3 . 1 1 509 509 LEU H H 509 8.043 8.043 8.048 -0.005 25657 885 1 3 . 1 1 510 510 LEU N N 510 124.597 124.597 119.932 4.665 25657 886 1 3 . 1 1 510 510 LEU HA H 510 3.986 3.986 4.061 -0.075 25657 887 1 3 . 1 1 510 510 LEU CA C 510 59.537 59.537 60.507 -0.970 25657 888 1 3 . 1 1 510 510 LEU CB C 510 38.809 38.809 38.385 0.424 25657 889 1 3 . 1 1 510 510 LEU H H 510 9.023 9.023 8.674 0.349 25657 890 1 3 . 1 1 511 511 PRO HA H 511 4.188 4.188 4.199 -0.011 25657 891 1 3 . 1 1 511 511 PRO CA C 511 65.159 65.159 65.637 -0.478 25657 892 1 3 . 1 1 511 511 PRO CB C 511 31.173 31.173 31.345 -0.172 25657 893 1 3 . 1 1 512 512 ILE N N 512 116.144 116.144 116.032 0.112 25657 894 1 3 . 1 1 512 512 ILE HA H 512 3.555 3.555 4.027 -0.472 25657 895 1 3 . 1 1 512 512 ILE CA C 512 63.626 63.626 63.252 0.374 25657 896 1 3 . 1 1 512 512 ILE CB C 512 37.562 37.562 37.922 -0.360 25657 897 1 3 . 1 1 512 512 ILE H H 512 6.740 6.740 7.454 -0.714 25657 898 1 3 . 1 1 513 513 ALA N N 513 120.058 120.058 122.614 -2.556 25657 899 1 3 . 1 1 513 513 ALA HA H 513 4.001 4.001 4.243 -0.242 25657 900 1 3 . 1 1 513 513 ALA CA C 513 54.684 54.684 53.379 1.306 25657 901 1 3 . 1 1 513 513 ALA CB C 513 17.961 17.961 18.669 -0.708 25657 902 1 3 . 1 1 513 513 ALA H H 513 7.742 7.742 8.195 -0.453 25657 903 1 3 . 1 1 514 514 ALA N N 514 112.305 112.305 119.179 -6.874 25657 904 1 3 . 1 1 514 514 ALA HA H 514 4.043 4.043 4.320 -0.277 25657 905 1 3 . 1 1 514 514 ALA CA C 514 51.908 51.908 52.472 -0.564 25657 906 1 3 . 1 1 514 514 ALA CB C 514 19.430 19.430 19.201 0.229 25657 907 1 3 . 1 1 514 514 ALA H H 514 7.900 7.900 7.699 0.201 25657 908 1 3 . 1 1 515 515 SER N N 515 113.093 113.093 114.633 -1.540 25657 909 1 3 . 1 1 515 515 SER HA H 515 4.372 4.372 4.668 -0.296 25657 910 1 3 . 1 1 515 515 SER CA C 515 57.781 57.781 56.880 0.901 25657 911 1 3 . 1 1 515 515 SER CB C 515 63.115 63.115 62.904 0.211 25657 912 1 3 . 1 1 515 515 SER H H 515 7.103 7.103 7.443 -0.340 25657 913 1 3 . 1 1 516 516 THR N N 516 115.846 115.846 120.086 -4.240 25657 914 1 3 . 1 1 516 516 THR HA H 516 4.187 4.187 4.029 0.158 25657 915 1 3 . 1 1 516 516 THR CA C 516 62.093 62.093 64.639 -2.546 25657 916 1 3 . 1 1 516 516 THR CB C 516 67.714 67.714 68.725 -1.011 25657 917 1 3 . 1 1 516 516 THR H H 516 8.161 8.161 8.727 -0.566 25657 918 1 3 . 1 1 517 517 ASP N N 517 118.302 118.302 119.617 -1.315 25657 919 1 3 . 1 1 517 517 ASP HA H 517 4.574 4.574 4.394 0.180 25657 920 1 3 . 1 1 517 517 ASP CA C 517 54.171 54.171 55.878 -1.707 25657 921 1 3 . 1 1 517 517 ASP CB C 517 41.139 41.139 41.063 0.076 25657 922 1 3 . 1 1 517 517 ASP H H 517 8.295 8.295 8.252 0.043 25657 923 1 3 . 1 1 518 518 LEU N N 518 121.136 121.136 117.455 3.681 25657 924 1 3 . 1 1 518 518 LEU HA H 518 4.531 4.531 4.698 -0.167 25657 925 1 3 . 1 1 518 518 LEU CA C 518 53.050 53.050 52.563 0.487 25657 926 1 3 . 1 1 518 518 LEU CB C 518 40.884 40.884 41.019 -0.135 25657 927 1 3 . 1 1 518 518 LEU H H 518 7.150 7.150 7.474 -0.324 25657 928 1 3 . 1 1 519 519 PRO HA H 519 4.385 4.385 4.267 0.118 25657 929 1 3 . 1 1 519 519 PRO CA C 519 63.115 63.115 63.251 -0.136 25657 930 1 3 . 1 1 519 519 PRO CB C 519 32.195 32.195 32.053 0.142 25657 931 1 3 . 1 1 520 520 ILE N N 520 121.919 121.919 125.433 -3.514 25657 932 1 3 . 1 1 520 520 ILE HA H 520 3.760 3.760 3.563 0.197 25657 933 1 3 . 1 1 520 520 ILE CA C 520 63.881 63.881 64.775 -0.894 25657 934 1 3 . 1 1 520 520 ILE CB C 520 37.817 37.817 37.600 0.217 25657 935 1 3 . 1 1 520 520 ILE H H 520 8.655 8.655 8.468 0.187 25657 936 1 3 . 1 1 522 522 THR N N 522 114.698 114.698 114.323 0.375 25657 937 1 3 . 1 1 522 522 THR HA H 522 3.647 3.647 4.114 -0.467 25657 938 1 3 . 1 1 522 522 THR CA C 522 65.670 65.670 66.122 -0.452 25657 939 1 3 . 1 1 522 522 THR CB C 522 68.481 68.481 68.519 -0.038 25657 940 1 3 . 1 1 522 522 THR H H 522 6.636 6.636 7.696 -1.060 25657 941 1 3 . 1 1 523 523 ALA N N 523 122.860 122.860 123.737 -0.877 25657 942 1 3 . 1 1 523 523 ALA HA H 523 3.940 3.940 4.223 -0.283 25657 943 1 3 . 1 1 523 523 ALA CA C 523 55.415 55.415 54.549 0.866 25657 944 1 3 . 1 1 523 523 ALA CB C 523 18.392 18.392 18.005 0.387 25657 945 1 3 . 1 1 523 523 ALA H H 523 7.251 7.251 7.468 -0.217 25657 946 1 3 . 1 1 524 524 ALA N N 524 121.541 121.541 122.788 -1.247 25657 947 1 3 . 1 1 524 524 ALA HA H 524 3.933 3.933 4.037 -0.104 25657 948 1 3 . 1 1 524 524 ALA CA C 524 55.193 55.193 55.338 -0.145 25657 949 1 3 . 1 1 524 524 ALA CB C 524 18.652 18.652 18.522 0.130 25657 950 1 3 . 1 1 524 524 ALA H H 524 9.218 9.218 8.440 0.778 25657 951 1 3 . 1 1 526 526 ALA HA H 526 3.886 3.886 4.068 -0.182 25657 952 1 3 . 1 1 526 526 ALA CA C 526 55.544 55.544 54.957 0.587 25657 953 1 3 . 1 1 526 526 ALA CB C 526 18.113 18.113 17.898 0.215 25657 954 1 3 . 1 1 527 527 SER HA H 527 3.932 3.932 4.089 -0.157 25657 955 1 3 . 1 1 527 527 SER CA C 527 60.304 60.304 62.085 -1.781 25657 956 1 3 . 1 1 527 527 SER CB C 527 62.859 62.859 63.190 -0.331 25657 957 1 3 . 1 1 528 528 LEU HA H 528 4.030 4.030 3.925 0.105 25657 958 1 3 . 1 1 528 528 LEU CA C 528 57.252 57.252 57.856 -0.604 25657 959 1 3 . 1 1 528 528 LEU CB C 528 41.555 41.555 40.803 0.751 25657 960 1 3 . 1 1 529 529 ALA HA H 529 4.312 4.312 3.876 0.436 25657 961 1 3 . 1 1 529 529 ALA CA C 529 52.127 52.127 54.981 -2.854 25657 962 1 3 . 1 1 529 529 ALA CB C 529 18.908 18.908 18.274 0.634 25657 963 1 3 . 1 1 530 530 LEU HA H 530 3.931 3.931 3.907 0.024 25657 964 1 3 . 1 1 530 530 LEU CA C 530 57.493 57.493 57.839 -0.346 25657 965 1 3 . 1 1 530 530 LEU CB C 530 42.161 42.161 42.016 0.145 25657 966 1 3 . 1 1 531 531 ALA N N 531 121.603 121.603 119.909 1.694 25657 967 1 3 . 1 1 531 531 ALA HA H 531 3.874 3.874 3.899 -0.025 25657 968 1 3 . 1 1 531 531 ALA CA C 531 55.704 55.704 55.045 0.659 25657 969 1 3 . 1 1 531 531 ALA CB C 531 19.842 19.842 18.535 1.306 25657 970 1 3 . 1 1 531 531 ALA H H 531 8.675 8.675 8.131 0.544 25657 971 1 3 . 1 1 533 533 VAL HA H 533 4.073 4.073 3.517 0.556 25657 972 1 3 . 1 1 533 533 VAL CA C 533 66.437 66.437 64.765 1.672 25657 973 1 3 . 1 1 533 533 VAL CB C 533 31.684 31.684 30.493 1.191 25657 974 1 3 . 1 1 535 535 VAL N N 535 125.207 125.207 119.890 5.317 25657 975 1 3 . 1 1 535 535 VAL HA H 535 4.047 4.047 3.752 0.295 25657 976 1 3 . 1 1 535 535 VAL CA C 535 62.093 62.093 63.849 -1.756 25657 977 1 3 . 1 1 535 535 VAL CB C 535 30.918 30.918 31.875 -0.957 25657 978 1 3 . 1 1 535 535 VAL H H 535 6.624 6.624 7.808 -1.184 25657 979 1 3 . 1 1 536 536 GLY N N 536 116.145 116.145 107.901 8.244 25657 980 1 3 . 1 1 536 536 GLY CA C 536 45.994 45.994 45.389 0.605 25657 981 1 3 . 1 1 536 536 GLY H H 536 7.749 7.749 8.159 -0.410 25657 982 1 3 . 1 1 537 537 THR N N 537 116.707 116.707 114.280 2.427 25657 983 1 3 . 1 1 537 537 THR HA H 537 4.262 4.262 4.705 -0.443 25657 984 1 3 . 1 1 537 537 THR CA C 537 62.604 62.604 60.560 2.044 25657 985 1 3 . 1 1 537 537 THR CB C 537 72.058 72.058 70.332 1.726 25657 986 1 3 . 1 1 537 537 THR H H 537 7.962 7.962 7.900 0.062 25657 987 1 3 . 1 1 538 538 CYS N N 538 114.912 114.912 118.601 -3.689 25657 988 1 3 . 1 1 538 538 CYS HA H 538 4.308 4.308 4.841 -0.533 25657 989 1 3 . 1 1 538 538 CYS CB C 538 36.284 36.284 30.601 5.683 25657 990 1 3 . 1 1 538 538 CYS H H 538 8.598 8.598 8.163 0.435 25657 991 1 3 . 1 1 539 539 ASN N N 539 114.935 114.935 119.462 -4.527 25657 992 1 3 . 1 1 539 539 ASN HA H 539 4.121 4.121 4.788 -0.667 25657 993 1 3 . 1 1 539 539 ASN CA C 539 56.215 56.215 52.467 3.748 25657 994 1 3 . 1 1 539 539 ASN CB C 539 40.628 40.628 41.103 -0.475 25657 995 1 3 . 1 1 539 539 ASN H H 539 6.886 6.886 8.184 -1.298 25657 996 1 3 . 1 1 540 540 GLY N N 540 120.207 120.207 110.843 9.364 25657 997 1 3 . 1 1 540 540 GLY CA C 540 47.527 47.527 46.177 1.350 25657 998 1 3 . 1 1 540 540 GLY H H 540 9.345 9.345 8.820 0.525 25657 999 1 3 . 1 1 541 541 ASP N N 541 123.940 123.940 122.186 1.754 25657 1000 1 3 . 1 1 541 541 ASP HA H 541 4.442 4.442 4.287 0.155 25657 1001 1 3 . 1 1 541 541 ASP CA C 541 57.493 57.493 57.685 -0.192 25657 1002 1 3 . 1 1 541 541 ASP CB C 541 39.861 39.861 40.627 -0.766 25657 1003 1 3 . 1 1 541 541 ASP H H 541 7.768 7.768 8.711 -0.943 25657 1004 1 3 . 1 1 542 542 ILE N N 542 121.748 121.748 118.186 3.562 25657 1005 1 3 . 1 1 542 542 ILE HA H 542 3.423 3.423 3.795 -0.372 25657 1006 1 3 . 1 1 542 542 ILE CA C 542 64.903 64.903 64.228 0.675 25657 1007 1 3 . 1 1 542 542 ILE CB C 542 37.562 37.562 37.726 -0.164 25657 1008 1 3 . 1 1 542 542 ILE H H 542 8.866 8.866 7.276 1.590 25657 1009 1 3 . 1 1 543 543 THR N N 543 117.103 117.103 114.972 2.131 25657 1010 1 3 . 1 1 543 543 THR HA H 543 3.535 3.535 4.091 -0.556 25657 1011 1 3 . 1 1 543 543 THR CA C 543 68.481 68.481 66.957 1.524 25657 1012 1 3 . 1 1 543 543 THR CB C 543 68.481 68.481 68.197 0.284 25657 1013 1 3 . 1 1 543 543 THR H H 543 8.047 8.047 7.842 0.205 25657 1014 1 3 . 1 1 544 544 THR N N 544 117.176 117.176 118.635 -1.459 25657 1015 1 3 . 1 1 544 544 THR HA H 544 3.749 3.749 4.140 -0.391 25657 1016 1 3 . 1 1 544 544 THR CA C 544 66.692 66.692 66.612 0.080 25657 1017 1 3 . 1 1 544 544 THR CB C 544 68.736 68.736 68.731 0.005 25657 1018 1 3 . 1 1 544 544 THR H H 544 8.240 8.240 7.810 0.430 25657 1019 1 3 . 1 1 545 545 SER N N 545 117.103 117.103 117.711 -0.608 25657 1020 1 3 . 1 1 545 545 SER HA H 545 4.165 4.165 4.308 -0.143 25657 1021 1 3 . 1 1 545 545 SER CA C 545 62.348 62.348 61.736 0.612 25657 1022 1 3 . 1 1 545 545 SER CB C 545 62.348 62.348 62.703 -0.354 25657 1023 1 3 . 1 1 545 545 SER H H 545 7.407 7.407 7.735 -0.328 25657 1024 1 3 . 1 1 546 546 ILE N N 546 122.380 122.380 123.658 -1.278 25657 1025 1 3 . 1 1 546 546 ILE HA H 546 3.463 3.463 3.859 -0.396 25657 1026 1 3 . 1 1 546 546 ILE CA C 546 66.242 66.242 65.283 0.959 25657 1027 1 3 . 1 1 546 546 ILE CB C 546 38.328 38.328 38.265 0.063 25657 1028 1 3 . 1 1 546 546 ILE H H 546 7.830 7.830 8.041 -0.211 25657 1029 1 3 . 1 1 547 547 MET N N 547 117.942 117.942 119.214 -1.272 25657 1030 1 3 . 1 1 547 547 MET HA H 547 4.498 4.498 4.010 0.488 25657 1031 1 3 . 1 1 547 547 MET CA C 547 56.982 56.982 59.007 -2.025 25657 1032 1 3 . 1 1 547 547 MET CB C 547 30.197 30.197 32.377 -2.180 25657 1033 1 3 . 1 1 547 547 MET H H 547 8.524 8.524 7.995 0.529 25657 1034 1 3 . 1 1 548 548 ASP N N 548 119.475 119.475 119.474 0.001 25657 1035 1 3 . 1 1 548 548 ASP HA H 548 4.497 4.497 4.382 0.115 25657 1036 1 3 . 1 1 548 548 ASP CA C 548 57.493 57.493 57.726 -0.233 25657 1037 1 3 . 1 1 548 548 ASP CB C 548 39.350 39.350 40.818 -1.468 25657 1038 1 3 . 1 1 548 548 ASP H H 548 8.820 8.820 8.094 0.726 25657 1039 1 3 . 1 1 549 549 ASN N N 549 116.905 116.905 117.082 -0.177 25657 1040 1 3 . 1 1 549 549 ASN HA H 549 4.141 4.141 4.508 -0.367 25657 1041 1 3 . 1 1 549 549 ASN CA C 549 57.493 57.493 55.737 1.756 25657 1042 1 3 . 1 1 549 549 ASN CB C 549 41.139 41.139 38.676 2.462 25657 1043 1 3 . 1 1 549 549 ASN H H 549 7.443 7.443 7.733 -0.290 25657 1044 1 3 . 1 1 550 550 PHE N N 550 115.303 115.303 120.559 -5.256 25657 1045 1 3 . 1 1 550 550 PHE HA H 550 4.384 4.384 4.237 0.147 25657 1046 1 3 . 1 1 550 550 PHE CA C 550 60.815 60.815 62.434 -1.619 25657 1047 1 3 . 1 1 550 550 PHE CB C 550 39.409 39.409 39.175 0.234 25657 1048 1 3 . 1 1 550 550 PHE H H 550 7.283 7.283 8.048 -0.765 25657 1049 1 3 . 1 1 551 551 LEU N N 551 117.577 117.577 118.649 -1.072 25657 1050 1 3 . 1 1 551 551 LEU HA H 551 4.313 4.313 4.319 -0.006 25657 1051 1 3 . 1 1 551 551 LEU CA C 551 56.471 56.471 57.394 -0.923 25657 1052 1 3 . 1 1 551 551 LEU CB C 551 43.183 43.183 41.873 1.310 25657 1053 1 3 . 1 1 551 551 LEU H H 551 8.274 8.274 7.855 0.419 25657 1054 1 3 . 1 1 552 552 GLU N N 552 115.846 115.846 118.639 -2.793 25657 1055 1 3 . 1 1 552 552 GLU HA H 552 3.942 3.942 4.324 -0.382 25657 1056 1 3 . 1 1 552 552 GLU CA C 552 59.282 59.282 56.862 2.420 25657 1057 1 3 . 1 1 552 552 GLU CB C 552 29.103 29.103 30.527 -1.424 25657 1058 1 3 . 1 1 552 552 GLU H H 552 8.161 8.161 7.694 0.467 25657 1059 1 3 . 1 1 553 553 ARG N N 553 116.743 116.743 119.832 -3.089 25657 1060 1 3 . 1 1 553 553 ARG HA H 553 4.574 4.574 3.976 0.598 25657 1061 1 3 . 1 1 553 553 ARG CA C 553 55.960 55.960 56.355 -0.395 25657 1062 1 3 . 1 1 553 553 ARG CB C 553 30.662 30.662 28.821 1.841 25657 1063 1 3 . 1 1 553 553 ARG H H 553 6.884 6.884 8.340 -1.456 25657 1064 1 3 . 1 1 554 554 THR N N 554 110.707 110.707 119.039 -8.332 25657 1065 1 3 . 1 1 554 554 THR HA H 554 4.389 4.389 4.270 0.119 25657 1066 1 3 . 1 1 554 554 THR CA C 554 61.070 61.070 62.284 -1.214 25657 1067 1 3 . 1 1 554 554 THR CB C 554 71.292 71.292 69.698 1.594 25657 1068 1 3 . 1 1 554 554 THR H H 554 8.620 8.620 8.071 0.549 25657 1069 1 3 . 1 1 555 555 ALA N N 555 122.620 122.620 124.561 -1.941 25657 1070 1 3 . 1 1 555 555 ALA HA H 555 4.096 4.096 4.059 0.037 25657 1071 1 3 . 1 1 555 555 ALA CA C 555 55.354 55.354 54.405 0.949 25657 1072 1 3 . 1 1 555 555 ALA CB C 555 18.127 18.127 18.064 0.063 25657 1073 1 3 . 1 1 555 555 ALA H H 555 8.682 8.682 8.745 -0.063 25657 1074 1 3 . 1 1 556 556 ILE N N 556 114.464 114.464 120.043 -5.579 25657 1075 1 3 . 1 1 556 556 ILE HA H 556 3.889 3.889 3.665 0.224 25657 1076 1 3 . 1 1 556 556 ILE CA C 556 63.370 63.370 62.285 1.085 25657 1077 1 3 . 1 1 556 556 ILE CB C 556 38.073 38.073 37.168 0.905 25657 1078 1 3 . 1 1 556 556 ILE H H 556 7.702 7.702 7.976 -0.274 25657 1079 1 3 . 1 1 557 557 GLU N N 557 121.301 121.301 120.141 1.160 25657 1080 1 3 . 1 1 557 557 GLU HA H 557 4.256 4.256 4.100 0.156 25657 1081 1 3 . 1 1 557 557 GLU CA C 557 58.771 58.771 58.200 0.571 25657 1082 1 3 . 1 1 557 557 GLU CB C 557 31.316 31.316 28.936 2.380 25657 1083 1 3 . 1 1 557 557 GLU H H 557 7.545 7.545 7.634 -0.089 25657 1084 1 3 . 1 1 558 558 LEU N N 558 118.899 118.899 115.322 3.577 25657 1085 1 3 . 1 1 558 558 LEU HA H 558 4.062 4.062 4.146 -0.084 25657 1086 1 3 . 1 1 558 558 LEU CA C 558 58.004 58.004 56.128 1.876 25657 1087 1 3 . 1 1 558 558 LEU CB C 558 42.417 42.417 41.507 0.910 25657 1088 1 3 . 1 1 558 558 LEU H H 558 7.829 7.829 7.470 0.359 25657 1089 1 3 . 1 1 562 562 TRP HA H 562 4.366 4.366 4.551 -0.185 25657 1090 1 3 . 1 1 562 562 TRP CA C 562 59.793 59.793 60.169 -0.376 25657 1091 1 3 . 1 1 562 562 TRP CB C 562 28.874 28.874 29.717 -0.843 25657 1092 1 3 . 1 1 563 563 VAL HA H 563 3.659 3.659 3.153 0.506 25657 1093 1 3 . 1 1 563 563 VAL CA C 563 65.926 65.926 65.611 0.315 25657 1094 1 3 . 1 1 563 563 VAL CB C 563 31.429 31.429 31.577 -0.148 25657 1095 1 3 . 1 1 564 564 ARG HA H 564 4.273 4.273 3.959 0.314 25657 1096 1 3 . 1 1 564 564 ARG CA C 564 56.982 56.982 59.364 -2.382 25657 1097 1 3 . 1 1 564 564 ARG CB C 564 30.151 30.151 29.377 0.774 25657 1098 1 3 . 1 1 566 566 LEU HA H 566 4.057 4.057 3.695 0.362 25657 1099 1 3 . 1 1 566 566 LEU CA C 566 57.749 57.749 57.996 -0.247 25657 1100 1 3 . 1 1 566 566 LEU CB C 566 41.139 41.139 41.031 0.108 25657 1101 1 3 . 1 1 567 567 ALA HA H 567 4.004 4.004 4.000 0.004 25657 1102 1 3 . 1 1 567 567 ALA CA C 567 54.427 54.427 54.972 -0.545 25657 1103 1 3 . 1 1 567 567 ALA CB C 567 19.419 19.419 18.202 1.217 25657 1104 1 3 . 1 1 569 569 ALA N N 569 123.940 123.940 121.723 2.217 25657 1105 1 3 . 1 1 569 569 ALA HA H 569 3.741 3.741 3.989 -0.248 25657 1106 1 3 . 1 1 569 569 ALA CB C 569 17.725 17.725 18.131 -0.406 25657 1107 1 3 . 1 1 570 570 LEU N N 570 117.193 117.193 117.009 0.184 25657 1108 1 3 . 1 1 570 570 LEU HA H 570 4.039 4.039 3.977 0.062 25657 1109 1 3 . 1 1 570 570 LEU CA C 570 57.749 57.749 57.047 0.702 25657 1110 1 3 . 1 1 570 570 LEU CB C 570 41.906 41.906 41.552 0.354 25657 1111 1 3 . 1 1 570 570 LEU H H 570 7.636 7.636 7.798 -0.162 25657 1112 1 3 . 1 1 573 573 LEU N N 573 123.340 123.340 118.977 4.363 25657 1113 1 3 . 1 1 573 573 LEU HA H 573 4.150 4.150 3.888 0.262 25657 1114 1 3 . 1 1 573 573 LEU CA C 573 57.757 57.757 57.792 -0.035 25657 1115 1 3 . 1 1 573 573 LEU CB C 573 42.417 42.417 41.694 0.723 25657 1116 1 3 . 1 1 573 573 LEU H H 573 8.510 8.510 7.811 0.699 25657 1117 1 3 . 1 1 574 574 TYR N N 574 114.647 114.647 112.962 1.685 25657 1118 1 3 . 1 1 574 574 TYR H H 574 7.510 7.510 7.715 -0.205 25657 1119 1 3 . 1 1 575 575 MET N N 575 123.163 123.163 120.050 3.113 25657 1120 1 3 . 1 1 575 575 MET HA H 575 4.363 4.363 4.044 0.319 25657 1121 1 3 . 1 1 575 575 MET CA C 575 55.449 55.449 56.563 -1.114 25657 1122 1 3 . 1 1 575 575 MET CB C 575 29.385 29.385 31.105 -1.720 25657 1123 1 3 . 1 1 575 575 MET H H 575 7.209 7.209 8.094 -0.885 25657 1124 1 3 . 1 1 579 579 GLU N N 579 123.708 123.708 124.045 -0.337 25657 1125 1 3 . 1 1 579 579 GLU HA H 579 4.402 4.402 3.943 0.459 25657 1126 1 3 . 1 1 579 579 GLU CA C 579 57.749 57.749 59.238 -1.489 25657 1127 1 3 . 1 1 579 579 GLU CB C 579 29.193 29.193 29.612 -0.419 25657 1128 1 3 . 1 1 579 579 GLU H H 579 8.893 8.893 8.918 -0.025 25657 1129 1 3 . 1 1 580 580 GLN N N 580 119.901 119.901 118.860 1.041 25657 1130 1 3 . 1 1 580 580 GLN HA H 580 4.231 4.231 4.103 0.128 25657 1131 1 3 . 1 1 580 580 GLN CA C 580 58.200 58.200 58.893 -0.693 25657 1132 1 3 . 1 1 580 580 GLN CB C 580 29.385 29.385 28.078 1.306 25657 1133 1 3 . 1 1 580 580 GLN H H 580 7.768 7.768 8.360 -0.592 25657 1134 1 3 . 1 1 581 581 VAL N N 581 118.005 118.005 119.681 -1.676 25657 1135 1 3 . 1 1 581 581 VAL HA H 581 3.786 3.786 3.234 0.552 25657 1136 1 3 . 1 1 581 581 VAL CA C 581 61.326 61.326 65.547 -4.221 25657 1137 1 3 . 1 1 581 581 VAL CB C 581 34.495 34.495 31.145 3.350 25657 1138 1 3 . 1 1 581 581 VAL H H 581 8.874 8.874 8.550 0.324 25657 1139 1 3 . 1 1 582 582 ASP N N 582 123.700 123.700 119.465 4.235 25657 1140 1 3 . 1 1 582 582 ASP HA H 582 4.161 4.161 4.292 -0.131 25657 1141 1 3 . 1 1 582 582 ASP CA C 582 58.260 58.260 57.189 1.071 25657 1142 1 3 . 1 1 582 582 ASP CB C 582 39.355 39.355 40.251 -0.896 25657 1143 1 3 . 1 1 582 582 ASP H H 582 7.604 7.604 7.767 -0.163 25657 1144 1 3 . 1 1 583 583 ASP N N 583 119.292 119.292 120.038 -0.746 25657 1145 1 3 . 1 1 583 583 ASP HA H 583 4.546 4.546 4.416 0.130 25657 1146 1 3 . 1 1 583 583 ASP CA C 583 54.938 54.938 57.546 -2.608 25657 1147 1 3 . 1 1 583 583 ASP CB C 583 40.628 40.628 40.866 -0.238 25657 1148 1 3 . 1 1 583 583 ASP H H 583 8.376 8.376 7.550 0.826 25657 1149 1 3 . 1 1 584 584 VAL N N 584 121.900 121.900 120.175 1.725 25657 1150 1 3 . 1 1 584 584 VAL HA H 584 3.727 3.727 3.657 0.070 25657 1151 1 3 . 1 1 584 584 VAL CA C 584 65.159 65.159 65.952 -0.793 25657 1152 1 3 . 1 1 584 584 VAL CB C 584 31.429 31.429 31.258 0.171 25657 1153 1 3 . 1 1 584 584 VAL H H 584 7.732 7.732 7.375 0.357 25657 1154 1 3 . 1 1 585 585 LEU N N 585 119.481 119.481 120.190 -0.709 25657 1155 1 3 . 1 1 585 585 LEU HA H 585 3.879 3.879 3.869 0.010 25657 1156 1 3 . 1 1 585 585 LEU CA C 585 57.493 57.493 58.650 -1.157 25657 1157 1 3 . 1 1 585 585 LEU CB C 585 40.628 40.628 41.442 -0.814 25657 1158 1 3 . 1 1 585 585 LEU H H 585 8.018 8.018 7.786 0.232 25657 1159 1 3 . 1 1 586 586 GLU N N 586 118.081 118.081 118.584 -0.503 25657 1160 1 3 . 1 1 586 586 GLU HA H 586 4.283 4.283 3.861 0.422 25657 1161 1 3 . 1 1 586 586 GLU CA C 586 55.704 55.704 59.727 -4.023 25657 1162 1 3 . 1 1 586 586 GLU CB C 586 29.129 29.129 29.235 -0.106 25657 1163 1 3 . 1 1 586 586 GLU H H 586 7.729 7.729 7.821 -0.092 25657 1164 1 3 . 1 1 587 587 THR HA H 587 3.882 3.882 4.070 -0.188 25657 1165 1 3 . 1 1 587 587 THR CA C 587 66.400 66.400 66.670 -0.270 25657 1166 1 3 . 1 1 587 587 THR CB C 587 68.288 68.288 68.785 -0.497 25657 1167 1 3 . 1 1 588 588 ILE HA H 588 3.484 3.484 3.707 -0.223 25657 1168 1 3 . 1 1 588 588 ILE CA C 588 64.025 64.025 64.930 -0.905 25657 1169 1 3 . 1 1 588 588 ILE CB C 588 37.562 37.562 37.738 -0.176 25657 1170 1 3 . 1 1 589 589 SER HA H 589 4.403 4.403 4.195 0.208 25657 1171 1 3 . 1 1 589 589 SER CA C 589 58.477 58.477 60.944 -2.467 25657 1172 1 3 . 1 1 589 589 SER CB C 589 63.314 63.314 63.820 -0.506 25657 1173 1 3 . 1 1 590 590 ALA N N 590 121.916 121.916 124.343 -2.427 25657 1174 1 3 . 1 1 590 590 ALA HA H 590 4.329 4.329 4.081 0.248 25657 1175 1 3 . 1 1 590 590 ALA CA C 590 51.871 51.871 54.176 -2.305 25657 1176 1 3 . 1 1 590 590 ALA CB C 590 19.324 19.324 18.919 0.405 25657 1177 1 3 . 1 1 590 590 ALA H H 590 7.097 7.097 7.421 -0.324 25657 1178 1 3 . 1 1 591 591 ILE N N 591 119.802 119.802 120.181 -0.379 25657 1179 1 3 . 1 1 591 591 ILE HA H 591 4.175 4.175 3.897 0.278 25657 1180 1 3 . 1 1 591 591 ILE CA C 591 61.070 61.070 60.080 0.990 25657 1181 1 3 . 1 1 591 591 ILE CB C 591 38.584 38.584 38.396 0.188 25657 1182 1 3 . 1 1 591 591 ILE H H 591 7.990 7.990 7.342 0.648 25657 1183 1 3 . 1 1 593 593 HIS HA H 593 4.874 4.874 4.894 -0.020 25657 1184 1 3 . 1 1 593 593 HIS CA C 593 53.660 53.660 52.620 1.040 25657 1185 1 3 . 1 1 593 593 HIS CB C 593 30.094 30.094 29.508 0.586 25657 1186 1 3 . 1 1 594 594 PRO HA H 594 4.325 4.325 4.446 -0.121 25657 1187 1 3 . 1 1 594 594 PRO CA C 594 63.355 63.355 64.551 -1.196 25657 1188 1 3 . 1 1 594 594 PRO CB C 594 31.940 31.940 32.149 -0.209 25657 1189 1 3 . 1 1 595 595 MET N N 595 120.044 120.044 116.176 3.868 25657 1190 1 3 . 1 1 595 595 MET H H 595 8.232 8.232 8.282 -0.050 25657 1191 1 3 . 1 1 596 596 THR HA H 596 3.558 3.558 4.158 -0.600 25657 1192 1 3 . 1 1 596 596 THR CA C 596 68.481 68.481 64.394 4.087 25657 1193 1 3 . 1 1 596 596 THR CB C 596 68.225 68.225 68.553 -0.328 25657 1194 1 3 . 1 1 597 597 SER HA H 597 3.998 3.998 4.102 -0.104 25657 1195 1 3 . 1 1 597 597 SER CA C 597 61.070 61.070 61.618 -0.548 25657 1196 1 3 . 1 1 597 597 SER CB C 597 62.859 62.859 62.876 -0.017 25657 1197 1 3 . 1 1 598 598 ALA HA H 598 4.136 4.136 4.074 0.062 25657 1198 1 3 . 1 1 598 598 ALA CA C 598 54.171 54.171 54.874 -0.703 25657 1199 1 3 . 1 1 598 598 ALA CB C 598 18.141 18.141 18.178 -0.037 25657 1200 1 3 . 1 1 599 599 ILE HA H 599 3.456 3.456 3.642 -0.186 25657 1201 1 3 . 1 1 599 599 ILE CA C 599 66.181 66.181 65.087 1.095 25657 1202 1 3 . 1 1 599 599 ILE CB C 599 37.802 37.802 37.621 0.181 25657 1203 1 3 . 1 1 600 600 GLU HA H 600 3.658 3.658 3.976 -0.318 25657 1204 1 3 . 1 1 600 600 GLU CA C 600 60.048 60.048 59.960 0.088 25657 1205 1 3 . 1 1 600 600 GLU CB C 600 29.385 29.385 29.346 0.039 25657 1206 1 3 . 1 1 601 601 VAL HA H 601 3.735 3.735 3.747 -0.012 25657 1207 1 3 . 1 1 601 601 VAL CA C 601 65.926 65.926 65.511 0.415 25657 1208 1 3 . 1 1 601 601 VAL CB C 601 31.684 31.684 31.320 0.364 25657 1209 1 3 . 1 1 603 603 VAL HA H 603 3.734 3.734 3.836 -0.102 25657 1210 1 3 . 1 1 603 603 VAL CA C 603 65.415 65.415 65.155 0.260 25657 1211 1 3 . 1 1 603 603 VAL CB C 603 31.684 31.684 31.313 0.371 25657 1212 1 3 . 1 1 604 604 GLY CA C 604 47.272 47.272 46.412 0.860 25657 1213 1 3 . 1 1 606 606 CYS HA H 606 4.827 4.827 4.231 0.596 25657 1214 1 3 . 1 1 606 606 CYS CA C 606 54.938 54.938 59.037 -4.099 25657 1215 1 3 . 1 1 606 606 CYS CB C 606 33.218 33.218 25.299 7.920 25657 1216 1 3 . 1 1 607 607 ALA HA H 607 4.652 4.652 4.417 0.235 25657 1217 1 3 . 1 1 607 607 ALA CA C 607 54.682 54.682 51.522 3.160 25657 1218 1 3 . 1 1 607 607 ALA CB C 607 19.419 19.419 19.233 0.186 25657 1219 1 4 . 1 1 484 484 LYS HA H 484 4.551 4.551 4.371 0.180 25657 1220 1 4 . 1 1 484 484 LYS CA C 484 55.960 55.960 56.943 -0.983 25657 1221 1 4 . 1 1 484 484 LYS CB C 484 32.962 32.962 32.421 0.541 25657 1222 1 4 . 1 1 488 488 ALA HA H 488 3.926 3.926 4.107 -0.181 25657 1223 1 4 . 1 1 488 488 ALA CA C 488 54.682 54.682 54.833 -0.151 25657 1224 1 4 . 1 1 488 488 ALA CB C 488 18.652 18.652 17.780 0.872 25657 1225 1 4 . 1 1 489 489 ALA HA H 489 3.910 3.910 4.088 -0.178 25657 1226 1 4 . 1 1 489 489 ALA CA C 489 54.563 54.563 54.816 -0.253 25657 1227 1 4 . 1 1 489 489 ALA CB C 489 18.733 18.733 18.540 0.193 25657 1228 1 4 . 1 1 490 490 ILE HA H 490 4.120 4.120 3.675 0.445 25657 1229 1 4 . 1 1 490 490 ILE CA C 490 61.752 61.752 64.574 -2.822 25657 1230 1 4 . 1 1 490 490 ILE CB C 490 38.584 38.584 37.055 1.529 25657 1231 1 4 . 1 1 493 493 LEU HA H 493 4.293 4.293 3.866 0.427 25657 1232 1 4 . 1 1 493 493 LEU CA C 493 55.121 55.121 56.911 -1.790 25657 1233 1 4 . 1 1 493 493 LEU CB C 493 42.180 42.180 40.828 1.353 25657 1234 1 4 . 1 1 494 494 GLY CA C 494 47.527 47.527 46.201 1.326 25657 1235 1 4 . 1 1 496 496 ALA HA H 496 4.034 4.034 3.976 0.058 25657 1236 1 4 . 1 1 496 496 ALA CA C 496 55.704 55.704 54.684 1.020 25657 1237 1 4 . 1 1 496 496 ALA CB C 496 19.830 19.830 18.059 1.771 25657 1238 1 4 . 1 1 497 497 PHE HA H 497 4.621 4.621 4.178 0.443 25657 1239 1 4 . 1 1 497 497 PHE CA C 497 57.493 57.493 56.921 0.572 25657 1240 1 4 . 1 1 497 497 PHE CB C 497 38.584 38.584 36.848 1.736 25657 1241 1 4 . 1 1 498 498 ALA HA H 498 3.822 3.822 4.401 -0.579 25657 1242 1 4 . 1 1 498 498 ALA CA C 498 54.735 54.735 52.406 2.329 25657 1243 1 4 . 1 1 498 498 ALA CB C 498 18.397 18.397 17.940 0.457 25657 1244 1 4 . 1 1 500 500 SER N N 500 113.984 113.984 114.082 -0.098 25657 1245 1 4 . 1 1 500 500 SER HA H 500 4.200 4.200 4.471 -0.271 25657 1246 1 4 . 1 1 500 500 SER CA C 500 60.559 60.559 58.794 1.765 25657 1247 1 4 . 1 1 500 500 SER CB C 500 65.159 65.159 63.713 1.446 25657 1248 1 4 . 1 1 500 500 SER H H 500 8.124 8.124 7.874 0.250 25657 1249 1 4 . 1 1 501 501 LYS N N 501 118.485 118.485 121.399 -2.914 25657 1250 1 4 . 1 1 501 501 LYS HA H 501 4.276 4.276 4.558 -0.282 25657 1251 1 4 . 1 1 501 501 LYS CA C 501 55.960 55.960 56.229 -0.269 25657 1252 1 4 . 1 1 501 501 LYS H H 501 8.419 8.419 8.314 0.105 25657 1253 1 4 . 1 1 502 502 ASN N N 502 115.874 115.874 115.835 0.039 25657 1254 1 4 . 1 1 502 502 ASN HA H 502 4.275 4.275 4.764 -0.489 25657 1255 1 4 . 1 1 502 502 ASN CA C 502 55.449 55.449 54.142 1.307 25657 1256 1 4 . 1 1 502 502 ASN CB C 502 39.861 39.861 36.384 3.477 25657 1257 1 4 . 1 1 502 502 ASN H H 502 6.247 6.247 8.329 -2.082 25657 1258 1 4 . 1 1 503 503 ASP N N 503 127.293 127.293 120.955 6.338 25657 1259 1 4 . 1 1 503 503 ASP HA H 503 4.551 4.551 4.676 -0.125 25657 1260 1 4 . 1 1 503 503 ASP CA C 503 56.982 56.982 57.724 -0.742 25657 1261 1 4 . 1 1 503 503 ASP CB C 503 41.395 41.395 41.107 0.288 25657 1262 1 4 . 1 1 503 503 ASP H H 503 8.734 8.734 8.442 0.292 25657 1263 1 4 . 1 1 504 504 GLU N N 504 123.432 123.432 119.446 3.986 25657 1264 1 4 . 1 1 504 504 GLU HA H 504 4.094 4.094 4.043 0.051 25657 1265 1 4 . 1 1 504 504 GLU CA C 504 59.282 59.282 59.755 -0.473 25657 1266 1 4 . 1 1 504 504 GLU CB C 504 28.618 28.618 28.831 -0.213 25657 1267 1 4 . 1 1 504 504 GLU H H 504 8.208 8.208 8.723 -0.515 25657 1268 1 4 . 1 1 505 505 VAL N N 505 121.171 121.171 118.642 2.529 25657 1269 1 4 . 1 1 505 505 VAL HA H 505 3.284 3.284 3.839 -0.555 25657 1270 1 4 . 1 1 505 505 VAL CA C 505 66.547 66.547 66.082 0.465 25657 1271 1 4 . 1 1 505 505 VAL CB C 505 30.918 30.918 31.975 -1.057 25657 1272 1 4 . 1 1 505 505 VAL H H 505 8.343 8.343 7.955 0.388 25657 1273 1 4 . 1 1 506 506 LEU N N 506 120.468 120.468 119.235 1.233 25657 1274 1 4 . 1 1 506 506 LEU HA H 506 3.956 3.956 4.134 -0.178 25657 1275 1 4 . 1 1 506 506 LEU CA C 506 58.667 58.667 57.710 0.957 25657 1276 1 4 . 1 1 506 506 LEU CB C 506 41.139 41.139 41.457 -0.318 25657 1277 1 4 . 1 1 506 506 LEU H H 506 7.677 7.677 7.542 0.135 25657 1278 1 4 . 1 1 507 507 GLY N N 507 102.846 102.846 107.411 -4.565 25657 1279 1 4 . 1 1 507 507 GLY CA C 507 46.428 46.428 46.882 -0.454 25657 1280 1 4 . 1 1 507 507 GLY H H 507 7.864 7.864 8.104 -0.240 25657 1281 1 4 . 1 1 508 508 LEU N N 508 119.101 119.101 121.717 -2.616 25657 1282 1 4 . 1 1 508 508 LEU HA H 508 4.209 4.209 4.458 -0.249 25657 1283 1 4 . 1 1 508 508 LEU CA C 508 56.471 56.471 57.205 -0.734 25657 1284 1 4 . 1 1 508 508 LEU CB C 508 43.362 43.362 42.266 1.096 25657 1285 1 4 . 1 1 508 508 LEU H H 508 7.368 7.368 7.494 -0.126 25657 1286 1 4 . 1 1 509 509 LEU N N 509 112.199 112.199 119.974 -7.775 25657 1287 1 4 . 1 1 509 509 LEU HA H 509 4.387 4.387 3.995 0.392 25657 1288 1 4 . 1 1 509 509 LEU CA C 509 55.073 55.073 58.519 -3.446 25657 1289 1 4 . 1 1 509 509 LEU CB C 509 42.111 42.111 41.289 0.821 25657 1290 1 4 . 1 1 509 509 LEU H H 509 8.043 8.043 8.432 -0.389 25657 1291 1 4 . 1 1 510 510 LEU N N 510 124.597 124.597 120.187 4.410 25657 1292 1 4 . 1 1 510 510 LEU HA H 510 3.986 3.986 4.060 -0.074 25657 1293 1 4 . 1 1 510 510 LEU CA C 510 59.537 59.537 60.183 -0.646 25657 1294 1 4 . 1 1 510 510 LEU CB C 510 38.809 38.809 38.448 0.361 25657 1295 1 4 . 1 1 510 510 LEU H H 510 9.023 9.023 7.571 1.452 25657 1296 1 4 . 1 1 511 511 PRO HA H 511 4.188 4.188 4.151 0.037 25657 1297 1 4 . 1 1 511 511 PRO CA C 511 65.159 65.159 66.055 -0.896 25657 1298 1 4 . 1 1 511 511 PRO CB C 511 31.173 31.173 31.245 -0.072 25657 1299 1 4 . 1 1 512 512 ILE N N 512 116.144 116.144 116.061 0.083 25657 1300 1 4 . 1 1 512 512 ILE HA H 512 3.555 3.555 3.839 -0.284 25657 1301 1 4 . 1 1 512 512 ILE CA C 512 63.626 63.626 63.723 -0.097 25657 1302 1 4 . 1 1 512 512 ILE CB C 512 37.562 37.562 37.739 -0.177 25657 1303 1 4 . 1 1 512 512 ILE H H 512 6.740 6.740 7.506 -0.766 25657 1304 1 4 . 1 1 513 513 ALA N N 513 120.058 120.058 121.320 -1.262 25657 1305 1 4 . 1 1 513 513 ALA HA H 513 4.001 4.001 4.232 -0.231 25657 1306 1 4 . 1 1 513 513 ALA CA C 513 54.684 54.684 53.643 1.041 25657 1307 1 4 . 1 1 513 513 ALA CB C 513 17.961 17.961 19.216 -1.255 25657 1308 1 4 . 1 1 513 513 ALA H H 513 7.742 7.742 7.894 -0.152 25657 1309 1 4 . 1 1 514 514 ALA N N 514 112.305 112.305 121.161 -8.856 25657 1310 1 4 . 1 1 514 514 ALA HA H 514 4.043 4.043 4.350 -0.307 25657 1311 1 4 . 1 1 514 514 ALA CA C 514 51.908 51.908 51.944 -0.036 25657 1312 1 4 . 1 1 514 514 ALA CB C 514 19.430 19.430 18.415 1.015 25657 1313 1 4 . 1 1 514 514 ALA H H 514 7.900 7.900 7.731 0.169 25657 1314 1 4 . 1 1 515 515 SER N N 515 113.093 113.093 114.377 -1.284 25657 1315 1 4 . 1 1 515 515 SER HA H 515 4.372 4.372 4.671 -0.299 25657 1316 1 4 . 1 1 515 515 SER CA C 515 57.781 57.781 57.529 0.252 25657 1317 1 4 . 1 1 515 515 SER CB C 515 63.115 63.115 63.527 -0.412 25657 1318 1 4 . 1 1 515 515 SER H H 515 7.103 7.103 7.426 -0.323 25657 1319 1 4 . 1 1 516 516 THR N N 516 115.846 115.846 113.942 1.904 25657 1320 1 4 . 1 1 516 516 THR HA H 516 4.187 4.187 4.022 0.165 25657 1321 1 4 . 1 1 516 516 THR CA C 516 62.093 62.093 64.182 -2.089 25657 1322 1 4 . 1 1 516 516 THR CB C 516 67.714 67.714 68.857 -1.143 25657 1323 1 4 . 1 1 516 516 THR H H 516 8.161 8.161 8.346 -0.185 25657 1324 1 4 . 1 1 517 517 ASP N N 517 118.302 118.302 121.056 -2.754 25657 1325 1 4 . 1 1 517 517 ASP HA H 517 4.574 4.574 4.430 0.144 25657 1326 1 4 . 1 1 517 517 ASP CA C 517 54.171 54.171 56.276 -2.105 25657 1327 1 4 . 1 1 517 517 ASP CB C 517 41.139 41.139 40.702 0.437 25657 1328 1 4 . 1 1 517 517 ASP H H 517 8.295 8.295 8.122 0.173 25657 1329 1 4 . 1 1 518 518 LEU N N 518 121.136 121.136 116.682 4.454 25657 1330 1 4 . 1 1 518 518 LEU HA H 518 4.531 4.531 4.689 -0.158 25657 1331 1 4 . 1 1 518 518 LEU CA C 518 53.050 53.050 52.402 0.648 25657 1332 1 4 . 1 1 518 518 LEU CB C 518 40.884 40.884 41.026 -0.142 25657 1333 1 4 . 1 1 518 518 LEU H H 518 7.150 7.150 7.395 -0.245 25657 1334 1 4 . 1 1 519 519 PRO HA H 519 4.385 4.385 4.267 0.118 25657 1335 1 4 . 1 1 519 519 PRO CA C 519 63.115 63.115 62.871 0.244 25657 1336 1 4 . 1 1 519 519 PRO CB C 519 32.195 32.195 32.209 -0.014 25657 1337 1 4 . 1 1 520 520 ILE N N 520 121.919 121.919 116.338 5.581 25657 1338 1 4 . 1 1 520 520 ILE HA H 520 3.760 3.760 3.673 0.087 25657 1339 1 4 . 1 1 520 520 ILE CA C 520 63.881 63.881 63.407 0.474 25657 1340 1 4 . 1 1 520 520 ILE CB C 520 37.817 37.817 37.084 0.734 25657 1341 1 4 . 1 1 520 520 ILE H H 520 8.655 8.655 8.354 0.301 25657 1342 1 4 . 1 1 522 522 THR N N 522 114.698 114.698 112.820 1.878 25657 1343 1 4 . 1 1 522 522 THR HA H 522 3.647 3.647 3.985 -0.338 25657 1344 1 4 . 1 1 522 522 THR CA C 522 65.670 65.670 65.411 0.259 25657 1345 1 4 . 1 1 522 522 THR CB C 522 68.481 68.481 68.621 -0.140 25657 1346 1 4 . 1 1 522 522 THR H H 522 6.636 6.636 7.393 -0.757 25657 1347 1 4 . 1 1 523 523 ALA N N 523 122.860 122.860 123.101 -0.241 25657 1348 1 4 . 1 1 523 523 ALA HA H 523 3.940 3.940 3.848 0.092 25657 1349 1 4 . 1 1 523 523 ALA CA C 523 55.415 55.415 54.739 0.677 25657 1350 1 4 . 1 1 523 523 ALA CB C 523 18.392 18.392 18.155 0.237 25657 1351 1 4 . 1 1 523 523 ALA H H 523 7.251 7.251 7.562 -0.311 25657 1352 1 4 . 1 1 524 524 ALA N N 524 121.541 121.541 122.142 -0.601 25657 1353 1 4 . 1 1 524 524 ALA HA H 524 3.933 3.933 4.184 -0.251 25657 1354 1 4 . 1 1 524 524 ALA CA C 524 55.193 55.193 54.976 0.217 25657 1355 1 4 . 1 1 524 524 ALA CB C 524 18.652 18.652 18.146 0.506 25657 1356 1 4 . 1 1 524 524 ALA H H 524 9.218 9.218 7.500 1.718 25657 1357 1 4 . 1 1 526 526 ALA HA H 526 3.886 3.886 4.046 -0.160 25657 1358 1 4 . 1 1 526 526 ALA CA C 526 55.544 55.544 55.182 0.362 25657 1359 1 4 . 1 1 526 526 ALA CB C 526 18.113 18.113 18.042 0.071 25657 1360 1 4 . 1 1 527 527 SER HA H 527 3.932 3.932 4.154 -0.222 25657 1361 1 4 . 1 1 527 527 SER CA C 527 60.304 60.304 62.129 -1.825 25657 1362 1 4 . 1 1 527 527 SER CB C 527 62.859 62.859 63.148 -0.288 25657 1363 1 4 . 1 1 528 528 LEU HA H 528 4.030 4.030 3.959 0.071 25657 1364 1 4 . 1 1 528 528 LEU CA C 528 57.252 57.252 58.576 -1.324 25657 1365 1 4 . 1 1 528 528 LEU CB C 528 41.555 41.555 42.063 -0.508 25657 1366 1 4 . 1 1 529 529 ALA HA H 529 4.312 4.312 4.079 0.233 25657 1367 1 4 . 1 1 529 529 ALA CA C 529 52.127 52.127 55.315 -3.188 25657 1368 1 4 . 1 1 529 529 ALA CB C 529 18.908 18.908 18.241 0.667 25657 1369 1 4 . 1 1 530 530 LEU HA H 530 3.931 3.931 3.936 -0.005 25657 1370 1 4 . 1 1 530 530 LEU CA C 530 57.493 57.493 57.521 -0.028 25657 1371 1 4 . 1 1 530 530 LEU CB C 530 42.161 42.161 41.921 0.240 25657 1372 1 4 . 1 1 531 531 ALA N N 531 121.603 121.603 120.296 1.307 25657 1373 1 4 . 1 1 531 531 ALA HA H 531 3.874 3.874 3.924 -0.050 25657 1374 1 4 . 1 1 531 531 ALA CA C 531 55.704 55.704 54.710 0.994 25657 1375 1 4 . 1 1 531 531 ALA CB C 531 19.842 19.842 18.363 1.479 25657 1376 1 4 . 1 1 531 531 ALA H H 531 8.675 8.675 8.374 0.301 25657 1377 1 4 . 1 1 533 533 VAL HA H 533 4.073 4.073 3.699 0.374 25657 1378 1 4 . 1 1 533 533 VAL CA C 533 66.437 66.437 64.618 1.819 25657 1379 1 4 . 1 1 533 533 VAL CB C 533 31.684 31.684 31.503 0.181 25657 1380 1 4 . 1 1 535 535 VAL N N 535 125.207 125.207 117.656 7.551 25657 1381 1 4 . 1 1 535 535 VAL HA H 535 4.047 4.047 3.761 0.286 25657 1382 1 4 . 1 1 535 535 VAL CA C 535 62.093 62.093 64.257 -2.164 25657 1383 1 4 . 1 1 535 535 VAL CB C 535 30.918 30.918 31.857 -0.939 25657 1384 1 4 . 1 1 535 535 VAL H H 535 6.624 6.624 7.136 -0.512 25657 1385 1 4 . 1 1 536 536 GLY N N 536 116.145 116.145 105.322 10.823 25657 1386 1 4 . 1 1 536 536 GLY CA C 536 45.994 45.994 45.131 0.863 25657 1387 1 4 . 1 1 536 536 GLY H H 536 7.749 7.749 7.498 0.251 25657 1388 1 4 . 1 1 537 537 THR N N 537 116.707 116.707 111.974 4.733 25657 1389 1 4 . 1 1 537 537 THR HA H 537 4.262 4.262 4.479 -0.217 25657 1390 1 4 . 1 1 537 537 THR CA C 537 62.604 62.604 60.844 1.760 25657 1391 1 4 . 1 1 537 537 THR CB C 537 72.058 72.058 70.679 1.379 25657 1392 1 4 . 1 1 537 537 THR H H 537 7.962 7.962 7.678 0.284 25657 1393 1 4 . 1 1 538 538 CYS N N 538 114.912 114.912 118.214 -3.302 25657 1394 1 4 . 1 1 538 538 CYS HA H 538 4.308 4.308 4.823 -0.515 25657 1395 1 4 . 1 1 538 538 CYS CB C 538 36.284 36.284 30.194 6.090 25657 1396 1 4 . 1 1 538 538 CYS H H 538 8.598 8.598 8.448 0.150 25657 1397 1 4 . 1 1 539 539 ASN N N 539 114.935 114.935 122.776 -7.841 25657 1398 1 4 . 1 1 539 539 ASN HA H 539 4.121 4.121 4.894 -0.773 25657 1399 1 4 . 1 1 539 539 ASN CA C 539 56.215 56.215 53.424 2.791 25657 1400 1 4 . 1 1 539 539 ASN CB C 539 40.628 40.628 41.296 -0.668 25657 1401 1 4 . 1 1 539 539 ASN H H 539 6.886 6.886 8.517 -1.631 25657 1402 1 4 . 1 1 540 540 GLY N N 540 120.207 120.207 111.114 9.093 25657 1403 1 4 . 1 1 540 540 GLY CA C 540 47.527 47.527 46.681 0.846 25657 1404 1 4 . 1 1 540 540 GLY H H 540 9.345 9.345 8.855 0.490 25657 1405 1 4 . 1 1 541 541 ASP N N 541 123.940 123.940 122.541 1.399 25657 1406 1 4 . 1 1 541 541 ASP HA H 541 4.442 4.442 4.277 0.165 25657 1407 1 4 . 1 1 541 541 ASP CA C 541 57.493 57.493 56.957 0.536 25657 1408 1 4 . 1 1 541 541 ASP CB C 541 39.861 39.861 40.100 -0.239 25657 1409 1 4 . 1 1 541 541 ASP H H 541 7.768 7.768 8.403 -0.635 25657 1410 1 4 . 1 1 542 542 ILE N N 542 121.748 121.748 118.600 3.148 25657 1411 1 4 . 1 1 542 542 ILE HA H 542 3.423 3.423 3.534 -0.111 25657 1412 1 4 . 1 1 542 542 ILE CA C 542 64.903 64.903 65.335 -0.433 25657 1413 1 4 . 1 1 542 542 ILE CB C 542 37.562 37.562 37.569 -0.007 25657 1414 1 4 . 1 1 542 542 ILE H H 542 8.866 8.866 7.893 0.973 25657 1415 1 4 . 1 1 543 543 THR N N 543 117.103 117.103 115.139 1.964 25657 1416 1 4 . 1 1 543 543 THR HA H 543 3.535 3.535 4.041 -0.506 25657 1417 1 4 . 1 1 543 543 THR CA C 543 68.481 68.481 66.592 1.889 25657 1418 1 4 . 1 1 543 543 THR CB C 543 68.481 68.481 68.425 0.056 25657 1419 1 4 . 1 1 543 543 THR H H 543 8.047 8.047 7.655 0.392 25657 1420 1 4 . 1 1 544 544 THR N N 544 117.176 117.176 119.348 -2.172 25657 1421 1 4 . 1 1 544 544 THR HA H 544 3.749 3.749 4.030 -0.281 25657 1422 1 4 . 1 1 544 544 THR CA C 544 66.692 66.692 67.250 -0.558 25657 1423 1 4 . 1 1 544 544 THR CB C 544 68.736 68.736 68.284 0.452 25657 1424 1 4 . 1 1 544 544 THR H H 544 8.240 8.240 8.088 0.152 25657 1425 1 4 . 1 1 545 545 SER N N 545 117.103 117.103 117.661 -0.558 25657 1426 1 4 . 1 1 545 545 SER HA H 545 4.165 4.165 4.195 -0.030 25657 1427 1 4 . 1 1 545 545 SER CA C 545 62.348 62.348 62.560 -0.212 25657 1428 1 4 . 1 1 545 545 SER CB C 545 62.348 62.348 62.871 -0.523 25657 1429 1 4 . 1 1 545 545 SER H H 545 7.407 7.407 7.841 -0.434 25657 1430 1 4 . 1 1 546 546 ILE N N 546 122.380 122.380 123.135 -0.755 25657 1431 1 4 . 1 1 546 546 ILE HA H 546 3.463 3.463 3.778 -0.315 25657 1432 1 4 . 1 1 546 546 ILE CA C 546 66.242 66.242 65.546 0.696 25657 1433 1 4 . 1 1 546 546 ILE CB C 546 38.328 38.328 38.285 0.043 25657 1434 1 4 . 1 1 546 546 ILE H H 546 7.830 7.830 7.821 0.009 25657 1435 1 4 . 1 1 547 547 MET N N 547 117.942 117.942 120.249 -2.307 25657 1436 1 4 . 1 1 547 547 MET HA H 547 4.498 4.498 4.185 0.313 25657 1437 1 4 . 1 1 547 547 MET CA C 547 56.982 56.982 59.145 -2.163 25657 1438 1 4 . 1 1 547 547 MET CB C 547 30.197 30.197 32.252 -2.055 25657 1439 1 4 . 1 1 547 547 MET H H 547 8.524 8.524 8.575 -0.051 25657 1440 1 4 . 1 1 548 548 ASP N N 548 119.475 119.475 119.733 -0.258 25657 1441 1 4 . 1 1 548 548 ASP HA H 548 4.497 4.497 4.261 0.236 25657 1442 1 4 . 1 1 548 548 ASP CA C 548 57.493 57.493 57.538 -0.045 25657 1443 1 4 . 1 1 548 548 ASP CB C 548 39.350 39.350 40.092 -0.742 25657 1444 1 4 . 1 1 548 548 ASP H H 548 8.820 8.820 8.522 0.298 25657 1445 1 4 . 1 1 549 549 ASN N N 549 116.905 116.905 118.161 -1.256 25657 1446 1 4 . 1 1 549 549 ASN HA H 549 4.141 4.141 4.465 -0.324 25657 1447 1 4 . 1 1 549 549 ASN CA C 549 57.493 57.493 55.837 1.656 25657 1448 1 4 . 1 1 549 549 ASN CB C 549 41.139 41.139 38.182 2.957 25657 1449 1 4 . 1 1 549 549 ASN H H 549 7.443 7.443 7.949 -0.506 25657 1450 1 4 . 1 1 550 550 PHE N N 550 115.303 115.303 119.581 -4.278 25657 1451 1 4 . 1 1 550 550 PHE HA H 550 4.384 4.384 4.336 0.048 25657 1452 1 4 . 1 1 550 550 PHE CA C 550 60.815 60.815 61.034 -0.219 25657 1453 1 4 . 1 1 550 550 PHE CB C 550 39.409 39.409 38.943 0.466 25657 1454 1 4 . 1 1 550 550 PHE H H 550 7.283 7.283 7.507 -0.224 25657 1455 1 4 . 1 1 551 551 LEU N N 551 117.577 117.577 117.142 0.435 25657 1456 1 4 . 1 1 551 551 LEU HA H 551 4.313 4.313 4.159 0.154 25657 1457 1 4 . 1 1 551 551 LEU CA C 551 56.471 56.471 57.313 -0.842 25657 1458 1 4 . 1 1 551 551 LEU CB C 551 43.183 43.183 41.505 1.677 25657 1459 1 4 . 1 1 551 551 LEU H H 551 8.274 8.274 7.793 0.481 25657 1460 1 4 . 1 1 552 552 GLU N N 552 115.846 115.846 118.821 -2.975 25657 1461 1 4 . 1 1 552 552 GLU HA H 552 3.942 3.942 4.157 -0.215 25657 1462 1 4 . 1 1 552 552 GLU CA C 552 59.282 59.282 57.756 1.526 25657 1463 1 4 . 1 1 552 552 GLU CB C 552 29.103 29.103 30.160 -1.057 25657 1464 1 4 . 1 1 552 552 GLU H H 552 8.161 8.161 7.675 0.486 25657 1465 1 4 . 1 1 553 553 ARG N N 553 116.743 116.743 120.447 -3.704 25657 1466 1 4 . 1 1 553 553 ARG HA H 553 4.574 4.574 4.057 0.517 25657 1467 1 4 . 1 1 553 553 ARG CA C 553 55.960 55.960 56.440 -0.480 25657 1468 1 4 . 1 1 553 553 ARG CB C 553 30.662 30.662 29.710 0.952 25657 1469 1 4 . 1 1 553 553 ARG H H 553 6.884 6.884 8.034 -1.150 25657 1470 1 4 . 1 1 554 554 THR N N 554 110.707 110.707 114.566 -3.859 25657 1471 1 4 . 1 1 554 554 THR HA H 554 4.389 4.389 4.370 0.019 25657 1472 1 4 . 1 1 554 554 THR CA C 554 61.070 61.070 61.054 0.016 25657 1473 1 4 . 1 1 554 554 THR CB C 554 71.292 71.292 69.962 1.330 25657 1474 1 4 . 1 1 554 554 THR H H 554 8.620 8.620 7.777 0.843 25657 1475 1 4 . 1 1 555 555 ALA N N 555 122.620 122.620 125.132 -2.512 25657 1476 1 4 . 1 1 555 555 ALA HA H 555 4.096 4.096 4.106 -0.010 25657 1477 1 4 . 1 1 555 555 ALA CA C 555 55.354 55.354 54.143 1.211 25657 1478 1 4 . 1 1 555 555 ALA CB C 555 18.127 18.127 18.222 -0.095 25657 1479 1 4 . 1 1 555 555 ALA H H 555 8.682 8.682 8.790 -0.108 25657 1480 1 4 . 1 1 556 556 ILE N N 556 114.464 114.464 119.855 -5.391 25657 1481 1 4 . 1 1 556 556 ILE HA H 556 3.889 3.889 3.745 0.144 25657 1482 1 4 . 1 1 556 556 ILE CA C 556 63.370 63.370 62.878 0.492 25657 1483 1 4 . 1 1 556 556 ILE CB C 556 38.073 38.073 37.527 0.546 25657 1484 1 4 . 1 1 556 556 ILE H H 556 7.702 7.702 8.020 -0.318 25657 1485 1 4 . 1 1 557 557 GLU N N 557 121.301 121.301 119.748 1.553 25657 1486 1 4 . 1 1 557 557 GLU HA H 557 4.256 4.256 4.059 0.197 25657 1487 1 4 . 1 1 557 557 GLU CA C 557 58.771 58.771 58.352 0.419 25657 1488 1 4 . 1 1 557 557 GLU CB C 557 31.316 31.316 29.045 2.271 25657 1489 1 4 . 1 1 557 557 GLU H H 557 7.545 7.545 7.766 -0.221 25657 1490 1 4 . 1 1 558 558 LEU N N 558 118.899 118.899 114.637 4.262 25657 1491 1 4 . 1 1 558 558 LEU HA H 558 4.062 4.062 4.228 -0.166 25657 1492 1 4 . 1 1 558 558 LEU CA C 558 58.004 58.004 55.768 2.236 25657 1493 1 4 . 1 1 558 558 LEU CB C 558 42.417 42.417 41.322 1.095 25657 1494 1 4 . 1 1 558 558 LEU H H 558 7.829 7.829 7.765 0.064 25657 1495 1 4 . 1 1 562 562 TRP HA H 562 4.366 4.366 4.494 -0.128 25657 1496 1 4 . 1 1 562 562 TRP CA C 562 59.793 59.793 60.986 -1.193 25657 1497 1 4 . 1 1 562 562 TRP CB C 562 28.874 28.874 29.639 -0.765 25657 1498 1 4 . 1 1 563 563 VAL HA H 563 3.659 3.659 3.198 0.461 25657 1499 1 4 . 1 1 563 563 VAL CA C 563 65.926 65.926 65.003 0.923 25657 1500 1 4 . 1 1 563 563 VAL CB C 563 31.429 31.429 31.855 -0.426 25657 1501 1 4 . 1 1 564 564 ARG HA H 564 4.273 4.273 3.842 0.431 25657 1502 1 4 . 1 1 564 564 ARG CA C 564 56.982 56.982 59.382 -2.400 25657 1503 1 4 . 1 1 564 564 ARG CB C 564 30.151 30.151 29.697 0.454 25657 1504 1 4 . 1 1 566 566 LEU HA H 566 4.057 4.057 3.760 0.297 25657 1505 1 4 . 1 1 566 566 LEU CA C 566 57.749 57.749 56.520 1.229 25657 1506 1 4 . 1 1 566 566 LEU CB C 566 41.139 41.139 40.791 0.348 25657 1507 1 4 . 1 1 567 567 ALA HA H 567 4.004 4.004 4.017 -0.013 25657 1508 1 4 . 1 1 567 567 ALA CA C 567 54.427 54.427 54.983 -0.555 25657 1509 1 4 . 1 1 567 567 ALA CB C 567 19.419 19.419 18.093 1.326 25657 1510 1 4 . 1 1 569 569 ALA N N 569 123.940 123.940 122.623 1.317 25657 1511 1 4 . 1 1 569 569 ALA HA H 569 3.741 3.741 3.987 -0.246 25657 1512 1 4 . 1 1 569 569 ALA CB C 569 17.725 17.725 18.360 -0.635 25657 1513 1 4 . 1 1 570 570 LEU N N 570 117.193 117.193 118.222 -1.029 25657 1514 1 4 . 1 1 570 570 LEU HA H 570 4.039 4.039 3.878 0.161 25657 1515 1 4 . 1 1 570 570 LEU CA C 570 57.749 57.749 57.168 0.581 25657 1516 1 4 . 1 1 570 570 LEU CB C 570 41.906 41.906 41.792 0.114 25657 1517 1 4 . 1 1 570 570 LEU H H 570 7.636 7.636 7.973 -0.337 25657 1518 1 4 . 1 1 573 573 LEU N N 573 123.340 123.340 121.365 1.975 25657 1519 1 4 . 1 1 573 573 LEU HA H 573 4.150 4.150 3.829 0.321 25657 1520 1 4 . 1 1 573 573 LEU CA C 573 57.757 57.757 57.935 -0.178 25657 1521 1 4 . 1 1 573 573 LEU CB C 573 42.417 42.417 41.525 0.892 25657 1522 1 4 . 1 1 573 573 LEU H H 573 8.510 8.510 8.184 0.326 25657 1523 1 4 . 1 1 574 574 TYR N N 574 114.647 114.647 113.364 1.283 25657 1524 1 4 . 1 1 574 574 TYR H H 574 7.510 7.510 7.345 0.165 25657 1525 1 4 . 1 1 575 575 MET N N 575 123.163 123.163 117.941 5.222 25657 1526 1 4 . 1 1 575 575 MET HA H 575 4.363 4.363 3.960 0.403 25657 1527 1 4 . 1 1 575 575 MET CA C 575 55.449 55.449 57.554 -2.105 25657 1528 1 4 . 1 1 575 575 MET CB C 575 29.385 29.385 31.708 -2.323 25657 1529 1 4 . 1 1 575 575 MET H H 575 7.209 7.209 7.761 -0.552 25657 1530 1 4 . 1 1 579 579 GLU N N 579 123.708 123.708 120.987 2.721 25657 1531 1 4 . 1 1 579 579 GLU HA H 579 4.402 4.402 3.942 0.460 25657 1532 1 4 . 1 1 579 579 GLU CA C 579 57.749 57.749 59.367 -1.618 25657 1533 1 4 . 1 1 579 579 GLU CB C 579 29.193 29.193 29.647 -0.454 25657 1534 1 4 . 1 1 579 579 GLU H H 579 8.893 8.893 8.691 0.202 25657 1535 1 4 . 1 1 580 580 GLN N N 580 119.901 119.901 119.268 0.633 25657 1536 1 4 . 1 1 580 580 GLN HA H 580 4.231 4.231 3.959 0.272 25657 1537 1 4 . 1 1 580 580 GLN CA C 580 58.200 58.200 58.684 -0.484 25657 1538 1 4 . 1 1 580 580 GLN CB C 580 29.385 29.385 28.235 1.150 25657 1539 1 4 . 1 1 580 580 GLN H H 580 7.768 7.768 8.214 -0.446 25657 1540 1 4 . 1 1 581 581 VAL N N 581 118.005 118.005 119.424 -1.419 25657 1541 1 4 . 1 1 581 581 VAL HA H 581 3.786 3.786 3.296 0.490 25657 1542 1 4 . 1 1 581 581 VAL CA C 581 61.326 61.326 66.411 -5.085 25657 1543 1 4 . 1 1 581 581 VAL CB C 581 34.495 34.495 31.538 2.957 25657 1544 1 4 . 1 1 581 581 VAL H H 581 8.874 8.874 7.497 1.377 25657 1545 1 4 . 1 1 582 582 ASP N N 582 123.700 123.700 118.169 5.531 25657 1546 1 4 . 1 1 582 582 ASP HA H 582 4.161 4.161 4.189 -0.028 25657 1547 1 4 . 1 1 582 582 ASP CA C 582 58.260 58.260 57.714 0.546 25657 1548 1 4 . 1 1 582 582 ASP CB C 582 39.355 39.355 40.793 -1.438 25657 1549 1 4 . 1 1 582 582 ASP H H 582 7.604 7.604 7.789 -0.185 25657 1550 1 4 . 1 1 583 583 ASP N N 583 119.292 119.292 118.225 1.067 25657 1551 1 4 . 1 1 583 583 ASP HA H 583 4.546 4.546 4.427 0.119 25657 1552 1 4 . 1 1 583 583 ASP CA C 583 54.938 54.938 56.702 -1.764 25657 1553 1 4 . 1 1 583 583 ASP CB C 583 40.628 40.628 40.827 -0.199 25657 1554 1 4 . 1 1 583 583 ASP H H 583 8.376 8.376 7.604 0.772 25657 1555 1 4 . 1 1 584 584 VAL N N 584 121.900 121.900 119.973 1.927 25657 1556 1 4 . 1 1 584 584 VAL HA H 584 3.727 3.727 3.620 0.107 25657 1557 1 4 . 1 1 584 584 VAL CA C 584 65.159 65.159 66.326 -1.167 25657 1558 1 4 . 1 1 584 584 VAL CB C 584 31.429 31.429 31.382 0.047 25657 1559 1 4 . 1 1 584 584 VAL H H 584 7.732 7.732 7.405 0.327 25657 1560 1 4 . 1 1 585 585 LEU N N 585 119.481 119.481 119.889 -0.408 25657 1561 1 4 . 1 1 585 585 LEU HA H 585 3.879 3.879 3.861 0.018 25657 1562 1 4 . 1 1 585 585 LEU CA C 585 57.493 57.493 58.668 -1.175 25657 1563 1 4 . 1 1 585 585 LEU CB C 585 40.628 40.628 41.100 -0.472 25657 1564 1 4 . 1 1 585 585 LEU H H 585 8.018 8.018 8.002 0.016 25657 1565 1 4 . 1 1 586 586 GLU N N 586 118.081 118.081 118.190 -0.109 25657 1566 1 4 . 1 1 586 586 GLU HA H 586 4.283 4.283 3.907 0.376 25657 1567 1 4 . 1 1 586 586 GLU CA C 586 55.704 55.704 59.637 -3.933 25657 1568 1 4 . 1 1 586 586 GLU CB C 586 29.129 29.129 29.401 -0.272 25657 1569 1 4 . 1 1 586 586 GLU H H 586 7.729 7.729 7.986 -0.257 25657 1570 1 4 . 1 1 587 587 THR HA H 587 3.882 3.882 4.040 -0.158 25657 1571 1 4 . 1 1 587 587 THR CA C 587 66.400 66.400 66.244 0.156 25657 1572 1 4 . 1 1 587 587 THR CB C 587 68.288 68.288 68.857 -0.569 25657 1573 1 4 . 1 1 588 588 ILE HA H 588 3.484 3.484 3.614 -0.130 25657 1574 1 4 . 1 1 588 588 ILE CA C 588 64.025 64.025 65.445 -1.420 25657 1575 1 4 . 1 1 588 588 ILE CB C 588 37.562 37.562 38.008 -0.446 25657 1576 1 4 . 1 1 589 589 SER HA H 589 4.403 4.403 4.240 0.163 25657 1577 1 4 . 1 1 589 589 SER CA C 589 58.477 58.477 60.089 -1.612 25657 1578 1 4 . 1 1 589 589 SER CB C 589 63.314 63.314 63.552 -0.238 25657 1579 1 4 . 1 1 590 590 ALA N N 590 121.916 121.916 124.589 -2.673 25657 1580 1 4 . 1 1 590 590 ALA HA H 590 4.329 4.329 4.249 0.080 25657 1581 1 4 . 1 1 590 590 ALA CA C 590 51.871 51.871 53.754 -1.883 25657 1582 1 4 . 1 1 590 590 ALA CB C 590 19.324 19.324 18.921 0.403 25657 1583 1 4 . 1 1 590 590 ALA H H 590 7.097 7.097 7.255 -0.158 25657 1584 1 4 . 1 1 591 591 ILE N N 591 119.802 119.802 115.469 4.333 25657 1585 1 4 . 1 1 591 591 ILE HA H 591 4.175 4.175 4.175 -0.000 25657 1586 1 4 . 1 1 591 591 ILE CA C 591 61.070 61.070 59.887 1.183 25657 1587 1 4 . 1 1 591 591 ILE CB C 591 38.584 38.584 38.174 0.410 25657 1588 1 4 . 1 1 591 591 ILE H H 591 7.990 7.990 7.383 0.607 25657 1589 1 4 . 1 1 593 593 HIS HA H 593 4.874 4.874 5.003 -0.129 25657 1590 1 4 . 1 1 593 593 HIS CA C 593 53.660 53.660 52.568 1.093 25657 1591 1 4 . 1 1 593 593 HIS CB C 593 30.094 30.094 29.541 0.553 25657 1592 1 4 . 1 1 594 594 PRO HA H 594 4.325 4.325 4.435 -0.110 25657 1593 1 4 . 1 1 594 594 PRO CA C 594 63.355 63.355 64.150 -0.795 25657 1594 1 4 . 1 1 594 594 PRO CB C 594 31.940 31.940 32.486 -0.546 25657 1595 1 4 . 1 1 595 595 MET N N 595 120.044 120.044 118.310 1.734 25657 1596 1 4 . 1 1 595 595 MET H H 595 8.232 8.232 8.154 0.078 25657 1597 1 4 . 1 1 596 596 THR HA H 596 3.558 3.558 3.909 -0.351 25657 1598 1 4 . 1 1 596 596 THR CA C 596 68.481 68.481 66.084 2.397 25657 1599 1 4 . 1 1 596 596 THR CB C 596 68.225 68.225 67.768 0.457 25657 1600 1 4 . 1 1 597 597 SER HA H 597 3.998 3.998 4.049 -0.051 25657 1601 1 4 . 1 1 597 597 SER CA C 597 61.070 61.070 61.433 -0.363 25657 1602 1 4 . 1 1 597 597 SER CB C 597 62.859 62.859 61.906 0.953 25657 1603 1 4 . 1 1 598 598 ALA HA H 598 4.136 4.136 4.106 0.030 25657 1604 1 4 . 1 1 598 598 ALA CA C 598 54.171 54.171 54.785 -0.614 25657 1605 1 4 . 1 1 598 598 ALA CB C 598 18.141 18.141 18.390 -0.249 25657 1606 1 4 . 1 1 599 599 ILE HA H 599 3.456 3.456 3.701 -0.245 25657 1607 1 4 . 1 1 599 599 ILE CA C 599 66.181 66.181 64.607 1.574 25657 1608 1 4 . 1 1 599 599 ILE CB C 599 37.802 37.802 37.858 -0.056 25657 1609 1 4 . 1 1 600 600 GLU HA H 600 3.658 3.658 3.986 -0.328 25657 1610 1 4 . 1 1 600 600 GLU CA C 600 60.048 60.048 60.160 -0.112 25657 1611 1 4 . 1 1 600 600 GLU CB C 600 29.385 29.385 29.724 -0.339 25657 1612 1 4 . 1 1 601 601 VAL HA H 601 3.735 3.735 3.802 -0.067 25657 1613 1 4 . 1 1 601 601 VAL CA C 601 65.926 65.926 65.626 0.300 25657 1614 1 4 . 1 1 601 601 VAL CB C 601 31.684 31.684 31.222 0.462 25657 1615 1 4 . 1 1 603 603 VAL HA H 603 3.734 3.734 3.665 0.069 25657 1616 1 4 . 1 1 603 603 VAL CA C 603 65.415 65.415 66.106 -0.691 25657 1617 1 4 . 1 1 603 603 VAL CB C 603 31.684 31.684 31.142 0.542 25657 1618 1 4 . 1 1 604 604 GLY CA C 604 47.272 47.272 46.528 0.744 25657 1619 1 4 . 1 1 606 606 CYS HA H 606 4.827 4.827 4.276 0.551 25657 1620 1 4 . 1 1 606 606 CYS CA C 606 54.938 54.938 59.804 -4.866 25657 1621 1 4 . 1 1 606 606 CYS CB C 606 33.218 33.218 25.701 7.517 25657 1622 1 4 . 1 1 607 607 ALA HA H 607 4.652 4.652 4.562 0.090 25657 1623 1 4 . 1 1 607 607 ALA CA C 607 54.682 54.682 50.225 4.457 25657 1624 1 4 . 1 1 607 607 ALA CB C 607 19.419 19.419 20.670 -1.251 25657 1625 1 5 . 1 1 484 484 LYS HA H 484 4.551 4.551 4.288 0.263 25657 1626 1 5 . 1 1 484 484 LYS CA C 484 55.960 55.960 56.390 -0.430 25657 1627 1 5 . 1 1 484 484 LYS CB C 484 32.962 32.962 32.014 0.948 25657 1628 1 5 . 1 1 488 488 ALA HA H 488 3.926 3.926 4.088 -0.162 25657 1629 1 5 . 1 1 488 488 ALA CA C 488 54.682 54.682 54.693 -0.011 25657 1630 1 5 . 1 1 488 488 ALA CB C 488 18.652 18.652 18.202 0.450 25657 1631 1 5 . 1 1 489 489 ALA HA H 489 3.910 3.910 4.015 -0.105 25657 1632 1 5 . 1 1 489 489 ALA CA C 489 54.563 54.563 55.141 -0.578 25657 1633 1 5 . 1 1 489 489 ALA CB C 489 18.733 18.733 18.324 0.409 25657 1634 1 5 . 1 1 490 490 ILE HA H 490 4.120 4.120 3.745 0.375 25657 1635 1 5 . 1 1 490 490 ILE CA C 490 61.752 61.752 64.290 -2.538 25657 1636 1 5 . 1 1 490 490 ILE CB C 490 38.584 38.584 36.659 1.925 25657 1637 1 5 . 1 1 493 493 LEU HA H 493 4.293 4.293 4.017 0.276 25657 1638 1 5 . 1 1 493 493 LEU CA C 493 55.121 55.121 57.476 -2.355 25657 1639 1 5 . 1 1 493 493 LEU CB C 493 42.180 42.180 41.611 0.569 25657 1640 1 5 . 1 1 494 494 GLY CA C 494 47.527 47.527 47.040 0.487 25657 1641 1 5 . 1 1 496 496 ALA HA H 496 4.034 4.034 4.112 -0.078 25657 1642 1 5 . 1 1 496 496 ALA CA C 496 55.704 55.704 54.467 1.237 25657 1643 1 5 . 1 1 496 496 ALA CB C 496 19.830 19.830 18.891 0.939 25657 1644 1 5 . 1 1 497 497 PHE HA H 497 4.621 4.621 4.129 0.492 25657 1645 1 5 . 1 1 497 497 PHE CA C 497 57.493 57.493 58.103 -0.611 25657 1646 1 5 . 1 1 497 497 PHE CB C 497 38.584 38.584 37.306 1.278 25657 1647 1 5 . 1 1 498 498 ALA HA H 498 3.822 3.822 4.128 -0.306 25657 1648 1 5 . 1 1 498 498 ALA CA C 498 54.735 54.735 53.469 1.266 25657 1649 1 5 . 1 1 498 498 ALA CB C 498 18.397 18.397 17.691 0.706 25657 1650 1 5 . 1 1 500 500 SER N N 500 113.984 113.984 113.822 0.162 25657 1651 1 5 . 1 1 500 500 SER HA H 500 4.200 4.200 4.447 -0.247 25657 1652 1 5 . 1 1 500 500 SER CA C 500 60.559 60.559 59.032 1.527 25657 1653 1 5 . 1 1 500 500 SER CB C 500 65.159 65.159 64.587 0.572 25657 1654 1 5 . 1 1 500 500 SER H H 500 8.124 8.124 7.729 0.395 25657 1655 1 5 . 1 1 501 501 LYS N N 501 118.485 118.485 120.038 -1.553 25657 1656 1 5 . 1 1 501 501 LYS HA H 501 4.276 4.276 4.462 -0.186 25657 1657 1 5 . 1 1 501 501 LYS CA C 501 55.960 55.960 56.075 -0.115 25657 1658 1 5 . 1 1 501 501 LYS H H 501 8.419 8.419 8.526 -0.107 25657 1659 1 5 . 1 1 502 502 ASN N N 502 115.874 115.874 116.140 -0.266 25657 1660 1 5 . 1 1 502 502 ASN HA H 502 4.275 4.275 4.669 -0.394 25657 1661 1 5 . 1 1 502 502 ASN CA C 502 55.449 55.449 54.163 1.286 25657 1662 1 5 . 1 1 502 502 ASN CB C 502 39.861 39.861 36.865 2.996 25657 1663 1 5 . 1 1 502 502 ASN H H 502 6.247 6.247 8.734 -2.487 25657 1664 1 5 . 1 1 503 503 ASP N N 503 127.293 127.293 118.586 8.707 25657 1665 1 5 . 1 1 503 503 ASP HA H 503 4.551 4.551 4.497 0.054 25657 1666 1 5 . 1 1 503 503 ASP CA C 503 56.982 56.982 55.988 0.994 25657 1667 1 5 . 1 1 503 503 ASP CB C 503 41.395 41.395 40.786 0.609 25657 1668 1 5 . 1 1 503 503 ASP H H 503 8.734 8.734 8.428 0.305 25657 1669 1 5 . 1 1 504 504 GLU N N 504 123.432 123.432 120.881 2.551 25657 1670 1 5 . 1 1 504 504 GLU HA H 504 4.094 4.094 3.986 0.108 25657 1671 1 5 . 1 1 504 504 GLU CA C 504 59.282 59.282 59.604 -0.322 25657 1672 1 5 . 1 1 504 504 GLU CB C 504 28.618 28.618 29.833 -1.215 25657 1673 1 5 . 1 1 504 504 GLU H H 504 8.208 8.208 8.401 -0.193 25657 1674 1 5 . 1 1 505 505 VAL N N 505 121.171 121.171 119.121 2.050 25657 1675 1 5 . 1 1 505 505 VAL HA H 505 3.284 3.284 3.639 -0.355 25657 1676 1 5 . 1 1 505 505 VAL CA C 505 66.547 66.547 65.081 1.466 25657 1677 1 5 . 1 1 505 505 VAL CB C 505 30.918 30.918 30.688 0.230 25657 1678 1 5 . 1 1 505 505 VAL H H 505 8.343 8.343 8.279 0.064 25657 1679 1 5 . 1 1 506 506 LEU N N 506 120.468 120.468 121.633 -1.165 25657 1680 1 5 . 1 1 506 506 LEU HA H 506 3.956 3.956 3.966 -0.010 25657 1681 1 5 . 1 1 506 506 LEU CA C 506 58.667 58.667 57.997 0.670 25657 1682 1 5 . 1 1 506 506 LEU CB C 506 41.139 41.139 40.653 0.486 25657 1683 1 5 . 1 1 506 506 LEU H H 506 7.677 7.677 8.189 -0.512 25657 1684 1 5 . 1 1 507 507 GLY N N 507 102.846 102.846 106.044 -3.198 25657 1685 1 5 . 1 1 507 507 GLY CA C 507 46.428 46.428 47.030 -0.602 25657 1686 1 5 . 1 1 507 507 GLY H H 507 7.864 7.864 7.778 0.086 25657 1687 1 5 . 1 1 508 508 LEU N N 508 119.101 119.101 121.021 -1.920 25657 1688 1 5 . 1 1 508 508 LEU HA H 508 4.209 4.209 4.326 -0.117 25657 1689 1 5 . 1 1 508 508 LEU CA C 508 56.471 56.471 56.788 -0.317 25657 1690 1 5 . 1 1 508 508 LEU CB C 508 43.362 43.362 42.237 1.125 25657 1691 1 5 . 1 1 508 508 LEU H H 508 7.368 7.368 7.253 0.115 25657 1692 1 5 . 1 1 509 509 LEU N N 509 112.199 112.199 120.841 -8.642 25657 1693 1 5 . 1 1 509 509 LEU HA H 509 4.387 4.387 3.920 0.467 25657 1694 1 5 . 1 1 509 509 LEU CA C 509 55.073 55.073 57.900 -2.827 25657 1695 1 5 . 1 1 509 509 LEU CB C 509 42.111 42.111 40.846 1.266 25657 1696 1 5 . 1 1 509 509 LEU H H 509 8.043 8.043 8.245 -0.202 25657 1697 1 5 . 1 1 510 510 LEU N N 510 124.597 124.597 120.400 4.197 25657 1698 1 5 . 1 1 510 510 LEU HA H 510 3.986 3.986 4.027 -0.041 25657 1699 1 5 . 1 1 510 510 LEU CA C 510 59.537 59.537 60.257 -0.720 25657 1700 1 5 . 1 1 510 510 LEU CB C 510 38.809 38.809 38.478 0.331 25657 1701 1 5 . 1 1 510 510 LEU H H 510 9.023 9.023 7.971 1.052 25657 1702 1 5 . 1 1 511 511 PRO HA H 511 4.188 4.188 4.103 0.085 25657 1703 1 5 . 1 1 511 511 PRO CA C 511 65.159 65.159 65.998 -0.839 25657 1704 1 5 . 1 1 511 511 PRO CB C 511 31.173 31.173 31.087 0.086 25657 1705 1 5 . 1 1 512 512 ILE N N 512 116.144 116.144 115.237 0.907 25657 1706 1 5 . 1 1 512 512 ILE HA H 512 3.555 3.555 3.866 -0.311 25657 1707 1 5 . 1 1 512 512 ILE CA C 512 63.626 63.626 63.389 0.236 25657 1708 1 5 . 1 1 512 512 ILE CB C 512 37.562 37.562 37.782 -0.220 25657 1709 1 5 . 1 1 512 512 ILE H H 512 6.740 6.740 7.319 -0.579 25657 1710 1 5 . 1 1 513 513 ALA N N 513 120.058 120.058 121.371 -1.313 25657 1711 1 5 . 1 1 513 513 ALA HA H 513 4.001 4.001 4.265 -0.264 25657 1712 1 5 . 1 1 513 513 ALA CA C 513 54.684 54.684 53.275 1.409 25657 1713 1 5 . 1 1 513 513 ALA CB C 513 17.961 17.961 18.897 -0.936 25657 1714 1 5 . 1 1 513 513 ALA H H 513 7.742 7.742 8.016 -0.274 25657 1715 1 5 . 1 1 514 514 ALA N N 514 112.305 112.305 120.509 -8.204 25657 1716 1 5 . 1 1 514 514 ALA HA H 514 4.043 4.043 4.393 -0.350 25657 1717 1 5 . 1 1 514 514 ALA CA C 514 51.908 51.908 51.184 0.724 25657 1718 1 5 . 1 1 514 514 ALA CB C 514 19.430 19.430 18.634 0.796 25657 1719 1 5 . 1 1 514 514 ALA H H 514 7.900 7.900 7.642 0.258 25657 1720 1 5 . 1 1 515 515 SER N N 515 113.093 113.093 112.563 0.530 25657 1721 1 5 . 1 1 515 515 SER HA H 515 4.372 4.372 4.098 0.274 25657 1722 1 5 . 1 1 515 515 SER CA C 515 57.781 57.781 58.670 -0.889 25657 1723 1 5 . 1 1 515 515 SER CB C 515 63.115 63.115 62.378 0.737 25657 1724 1 5 . 1 1 515 515 SER H H 515 7.103 7.103 7.739 -0.636 25657 1725 1 5 . 1 1 516 516 THR N N 516 115.846 115.846 113.770 2.076 25657 1726 1 5 . 1 1 516 516 THR HA H 516 4.187 4.187 4.171 0.016 25657 1727 1 5 . 1 1 516 516 THR CA C 516 62.093 62.093 64.299 -2.206 25657 1728 1 5 . 1 1 516 516 THR CB C 516 67.714 67.714 69.423 -1.709 25657 1729 1 5 . 1 1 516 516 THR H H 516 8.161 8.161 8.139 0.022 25657 1730 1 5 . 1 1 517 517 ASP N N 517 118.302 118.302 117.799 0.503 25657 1731 1 5 . 1 1 517 517 ASP HA H 517 4.574 4.574 4.687 -0.113 25657 1732 1 5 . 1 1 517 517 ASP CA C 517 54.171 54.171 54.066 0.105 25657 1733 1 5 . 1 1 517 517 ASP CB C 517 41.139 41.139 41.219 -0.080 25657 1734 1 5 . 1 1 517 517 ASP H H 517 8.295 8.295 8.428 -0.133 25657 1735 1 5 . 1 1 518 518 LEU N N 518 121.136 121.136 120.234 0.902 25657 1736 1 5 . 1 1 518 518 LEU HA H 518 4.531 4.531 4.845 -0.314 25657 1737 1 5 . 1 1 518 518 LEU CA C 518 53.050 53.050 51.567 1.483 25657 1738 1 5 . 1 1 518 518 LEU CB C 518 40.884 40.884 42.182 -1.298 25657 1739 1 5 . 1 1 518 518 LEU H H 518 7.150 7.150 7.552 -0.402 25657 1740 1 5 . 1 1 519 519 PRO HA H 519 4.385 4.385 4.478 -0.093 25657 1741 1 5 . 1 1 519 519 PRO CA C 519 63.115 63.115 62.053 1.062 25657 1742 1 5 . 1 1 519 519 PRO CB C 519 32.195 32.195 32.352 -0.157 25657 1743 1 5 . 1 1 520 520 ILE N N 520 121.919 121.919 117.236 4.683 25657 1744 1 5 . 1 1 520 520 ILE HA H 520 3.760 3.760 3.628 0.132 25657 1745 1 5 . 1 1 520 520 ILE CA C 520 63.881 63.881 63.796 0.085 25657 1746 1 5 . 1 1 520 520 ILE CB C 520 37.817 37.817 37.168 0.649 25657 1747 1 5 . 1 1 520 520 ILE H H 520 8.655 8.655 8.451 0.204 25657 1748 1 5 . 1 1 522 522 THR N N 522 114.698 114.698 116.096 -1.398 25657 1749 1 5 . 1 1 522 522 THR HA H 522 3.647 3.647 3.946 -0.299 25657 1750 1 5 . 1 1 522 522 THR CA C 522 65.670 65.670 65.712 -0.042 25657 1751 1 5 . 1 1 522 522 THR CB C 522 68.481 68.481 68.405 0.076 25657 1752 1 5 . 1 1 522 522 THR H H 522 6.636 6.636 8.077 -1.441 25657 1753 1 5 . 1 1 523 523 ALA N N 523 122.860 122.860 121.991 0.869 25657 1754 1 5 . 1 1 523 523 ALA HA H 523 3.940 3.940 4.125 -0.185 25657 1755 1 5 . 1 1 523 523 ALA CA C 523 55.415 55.415 54.350 1.065 25657 1756 1 5 . 1 1 523 523 ALA CB C 523 18.392 18.392 18.256 0.136 25657 1757 1 5 . 1 1 523 523 ALA H H 523 7.251 7.251 7.547 -0.296 25657 1758 1 5 . 1 1 524 524 ALA N N 524 121.541 121.541 122.468 -0.927 25657 1759 1 5 . 1 1 524 524 ALA HA H 524 3.933 3.933 4.034 -0.101 25657 1760 1 5 . 1 1 524 524 ALA CA C 524 55.193 55.193 54.932 0.261 25657 1761 1 5 . 1 1 524 524 ALA CB C 524 18.652 18.652 18.683 -0.031 25657 1762 1 5 . 1 1 524 524 ALA H H 524 9.218 9.218 7.997 1.221 25657 1763 1 5 . 1 1 526 526 ALA HA H 526 3.886 3.886 4.137 -0.251 25657 1764 1 5 . 1 1 526 526 ALA CA C 526 55.544 55.544 54.853 0.691 25657 1765 1 5 . 1 1 526 526 ALA CB C 526 18.113 18.113 17.944 0.170 25657 1766 1 5 . 1 1 527 527 SER HA H 527 3.932 3.932 4.217 -0.285 25657 1767 1 5 . 1 1 527 527 SER CA C 527 60.304 60.304 61.377 -1.073 25657 1768 1 5 . 1 1 527 527 SER CB C 527 62.859 62.859 63.234 -0.375 25657 1769 1 5 . 1 1 528 528 LEU HA H 528 4.030 4.030 3.848 0.182 25657 1770 1 5 . 1 1 528 528 LEU CA C 528 57.252 57.252 58.194 -0.942 25657 1771 1 5 . 1 1 528 528 LEU CB C 528 41.555 41.555 41.933 -0.378 25657 1772 1 5 . 1 1 529 529 ALA HA H 529 4.312 4.312 3.993 0.319 25657 1773 1 5 . 1 1 529 529 ALA CA C 529 52.127 52.127 54.988 -2.861 25657 1774 1 5 . 1 1 529 529 ALA CB C 529 18.908 18.908 18.160 0.748 25657 1775 1 5 . 1 1 530 530 LEU HA H 530 3.931 3.931 4.063 -0.132 25657 1776 1 5 . 1 1 530 530 LEU CA C 530 57.493 57.493 57.591 -0.098 25657 1777 1 5 . 1 1 530 530 LEU CB C 530 42.161 42.161 41.892 0.269 25657 1778 1 5 . 1 1 531 531 ALA N N 531 121.603 121.603 120.880 0.723 25657 1779 1 5 . 1 1 531 531 ALA HA H 531 3.874 3.874 3.919 -0.045 25657 1780 1 5 . 1 1 531 531 ALA CA C 531 55.704 55.704 55.227 0.477 25657 1781 1 5 . 1 1 531 531 ALA CB C 531 19.842 19.842 18.313 1.529 25657 1782 1 5 . 1 1 531 531 ALA H H 531 8.675 8.675 7.727 0.948 25657 1783 1 5 . 1 1 533 533 VAL HA H 533 4.073 4.073 3.948 0.125 25657 1784 1 5 . 1 1 533 533 VAL CA C 533 66.437 66.437 65.603 0.834 25657 1785 1 5 . 1 1 533 533 VAL CB C 533 31.684 31.684 32.276 -0.592 25657 1786 1 5 . 1 1 535 535 VAL N N 535 125.207 125.207 119.333 5.874 25657 1787 1 5 . 1 1 535 535 VAL HA H 535 4.047 4.047 3.815 0.232 25657 1788 1 5 . 1 1 535 535 VAL CA C 535 62.093 62.093 64.472 -2.378 25657 1789 1 5 . 1 1 535 535 VAL CB C 535 30.918 30.918 31.939 -1.021 25657 1790 1 5 . 1 1 535 535 VAL H H 535 6.624 6.624 7.648 -1.024 25657 1791 1 5 . 1 1 536 536 GLY N N 536 116.145 116.145 107.345 8.800 25657 1792 1 5 . 1 1 536 536 GLY CA C 536 45.994 45.994 45.587 0.407 25657 1793 1 5 . 1 1 536 536 GLY H H 536 7.749 7.749 7.829 -0.080 25657 1794 1 5 . 1 1 537 537 THR N N 537 116.707 116.707 113.625 3.082 25657 1795 1 5 . 1 1 537 537 THR HA H 537 4.262 4.262 4.487 -0.225 25657 1796 1 5 . 1 1 537 537 THR CA C 537 62.604 62.604 60.997 1.607 25657 1797 1 5 . 1 1 537 537 THR CB C 537 72.058 72.058 70.341 1.717 25657 1798 1 5 . 1 1 537 537 THR H H 537 7.962 7.962 7.461 0.501 25657 1799 1 5 . 1 1 538 538 CYS N N 538 114.912 114.912 117.958 -3.046 25657 1800 1 5 . 1 1 538 538 CYS HA H 538 4.308 4.308 4.811 -0.503 25657 1801 1 5 . 1 1 538 538 CYS CB C 538 36.284 36.284 30.164 6.120 25657 1802 1 5 . 1 1 538 538 CYS H H 538 8.598 8.598 8.369 0.229 25657 1803 1 5 . 1 1 539 539 ASN N N 539 114.935 114.935 120.314 -5.379 25657 1804 1 5 . 1 1 539 539 ASN HA H 539 4.121 4.121 4.829 -0.708 25657 1805 1 5 . 1 1 539 539 ASN CA C 539 56.215 56.215 53.682 2.533 25657 1806 1 5 . 1 1 539 539 ASN CB C 539 40.628 40.628 41.259 -0.631 25657 1807 1 5 . 1 1 539 539 ASN H H 539 6.886 6.886 8.521 -1.635 25657 1808 1 5 . 1 1 540 540 GLY N N 540 120.207 120.207 110.546 9.661 25657 1809 1 5 . 1 1 540 540 GLY CA C 540 47.527 47.527 46.069 1.458 25657 1810 1 5 . 1 1 540 540 GLY H H 540 9.345 9.345 8.712 0.633 25657 1811 1 5 . 1 1 541 541 ASP N N 541 123.940 123.940 122.275 1.665 25657 1812 1 5 . 1 1 541 541 ASP HA H 541 4.442 4.442 4.390 0.052 25657 1813 1 5 . 1 1 541 541 ASP CA C 541 57.493 57.493 56.738 0.755 25657 1814 1 5 . 1 1 541 541 ASP CB C 541 39.861 39.861 40.550 -0.689 25657 1815 1 5 . 1 1 541 541 ASP H H 541 7.768 7.768 8.678 -0.910 25657 1816 1 5 . 1 1 542 542 ILE N N 542 121.748 121.748 117.084 4.664 25657 1817 1 5 . 1 1 542 542 ILE HA H 542 3.423 3.423 3.693 -0.270 25657 1818 1 5 . 1 1 542 542 ILE CA C 542 64.903 64.903 64.227 0.676 25657 1819 1 5 . 1 1 542 542 ILE CB C 542 37.562 37.562 37.694 -0.132 25657 1820 1 5 . 1 1 542 542 ILE H H 542 8.866 8.866 7.452 1.414 25657 1821 1 5 . 1 1 543 543 THR N N 543 117.103 117.103 114.694 2.409 25657 1822 1 5 . 1 1 543 543 THR HA H 543 3.535 3.535 4.219 -0.684 25657 1823 1 5 . 1 1 543 543 THR CA C 543 68.481 68.481 66.759 1.722 25657 1824 1 5 . 1 1 543 543 THR CB C 543 68.481 68.481 68.903 -0.422 25657 1825 1 5 . 1 1 543 543 THR H H 543 8.047 8.047 8.599 -0.552 25657 1826 1 5 . 1 1 544 544 THR N N 544 117.176 117.176 117.035 0.141 25657 1827 1 5 . 1 1 544 544 THR HA H 544 3.749 3.749 4.020 -0.271 25657 1828 1 5 . 1 1 544 544 THR CA C 544 66.692 66.692 66.600 0.092 25657 1829 1 5 . 1 1 544 544 THR CB C 544 68.736 68.736 68.058 0.678 25657 1830 1 5 . 1 1 544 544 THR H H 544 8.240 8.240 7.740 0.500 25657 1831 1 5 . 1 1 545 545 SER N N 545 117.103 117.103 118.202 -1.099 25657 1832 1 5 . 1 1 545 545 SER HA H 545 4.165 4.165 4.227 -0.062 25657 1833 1 5 . 1 1 545 545 SER CA C 545 62.348 62.348 61.296 1.052 25657 1834 1 5 . 1 1 545 545 SER CB C 545 62.348 62.348 62.648 -0.300 25657 1835 1 5 . 1 1 545 545 SER H H 545 7.407 7.407 7.664 -0.257 25657 1836 1 5 . 1 1 546 546 ILE N N 546 122.380 122.380 122.871 -0.491 25657 1837 1 5 . 1 1 546 546 ILE HA H 546 3.463 3.463 3.874 -0.411 25657 1838 1 5 . 1 1 546 546 ILE CA C 546 66.242 66.242 65.200 1.042 25657 1839 1 5 . 1 1 546 546 ILE CB C 546 38.328 38.328 38.025 0.303 25657 1840 1 5 . 1 1 546 546 ILE H H 546 7.830 7.830 7.543 0.287 25657 1841 1 5 . 1 1 547 547 MET N N 547 117.942 117.942 118.639 -0.697 25657 1842 1 5 . 1 1 547 547 MET HA H 547 4.498 4.498 4.338 0.160 25657 1843 1 5 . 1 1 547 547 MET CA C 547 56.982 56.982 59.125 -2.143 25657 1844 1 5 . 1 1 547 547 MET CB C 547 30.197 30.197 32.381 -2.184 25657 1845 1 5 . 1 1 547 547 MET H H 547 8.524 8.524 8.400 0.124 25657 1846 1 5 . 1 1 548 548 ASP N N 548 119.475 119.475 119.750 -0.275 25657 1847 1 5 . 1 1 548 548 ASP HA H 548 4.497 4.497 4.382 0.115 25657 1848 1 5 . 1 1 548 548 ASP CA C 548 57.493 57.493 57.483 0.010 25657 1849 1 5 . 1 1 548 548 ASP CB C 548 39.350 39.350 40.809 -1.459 25657 1850 1 5 . 1 1 548 548 ASP H H 548 8.820 8.820 8.102 0.718 25657 1851 1 5 . 1 1 549 549 ASN N N 549 116.905 116.905 118.701 -1.796 25657 1852 1 5 . 1 1 549 549 ASN HA H 549 4.141 4.141 4.569 -0.428 25657 1853 1 5 . 1 1 549 549 ASN CA C 549 57.493 57.493 56.296 1.197 25657 1854 1 5 . 1 1 549 549 ASN CB C 549 41.139 41.139 38.319 2.820 25657 1855 1 5 . 1 1 549 549 ASN H H 549 7.443 7.443 7.648 -0.205 25657 1856 1 5 . 1 1 550 550 PHE N N 550 115.303 115.303 119.141 -3.838 25657 1857 1 5 . 1 1 550 550 PHE HA H 550 4.384 4.384 4.169 0.215 25657 1858 1 5 . 1 1 550 550 PHE CA C 550 60.815 60.815 61.933 -1.118 25657 1859 1 5 . 1 1 550 550 PHE CB C 550 39.409 39.409 38.878 0.531 25657 1860 1 5 . 1 1 550 550 PHE H H 550 7.283 7.283 7.756 -0.473 25657 1861 1 5 . 1 1 551 551 LEU N N 551 117.577 117.577 116.053 1.524 25657 1862 1 5 . 1 1 551 551 LEU HA H 551 4.313 4.313 4.249 0.064 25657 1863 1 5 . 1 1 551 551 LEU CA C 551 56.471 56.471 56.269 0.202 25657 1864 1 5 . 1 1 551 551 LEU CB C 551 43.183 43.183 42.267 0.916 25657 1865 1 5 . 1 1 551 551 LEU H H 551 8.274 8.274 7.471 0.803 25657 1866 1 5 . 1 1 552 552 GLU N N 552 115.846 115.846 118.041 -2.195 25657 1867 1 5 . 1 1 552 552 GLU HA H 552 3.942 3.942 4.163 -0.221 25657 1868 1 5 . 1 1 552 552 GLU CA C 552 59.282 59.282 57.882 1.400 25657 1869 1 5 . 1 1 552 552 GLU CB C 552 29.103 29.103 30.085 -0.983 25657 1870 1 5 . 1 1 552 552 GLU H H 552 8.161 8.161 7.497 0.664 25657 1871 1 5 . 1 1 553 553 ARG N N 553 116.743 116.743 117.884 -1.141 25657 1872 1 5 . 1 1 553 553 ARG HA H 553 4.574 4.574 4.239 0.335 25657 1873 1 5 . 1 1 553 553 ARG CA C 553 55.960 55.960 56.959 -0.999 25657 1874 1 5 . 1 1 553 553 ARG CB C 553 30.662 30.662 28.251 2.411 25657 1875 1 5 . 1 1 553 553 ARG H H 553 6.884 6.884 8.307 -1.423 25657 1876 1 5 . 1 1 554 554 THR N N 554 110.707 110.707 112.262 -1.555 25657 1877 1 5 . 1 1 554 554 THR HA H 554 4.389 4.389 4.564 -0.175 25657 1878 1 5 . 1 1 554 554 THR CA C 554 61.070 61.070 60.278 0.792 25657 1879 1 5 . 1 1 554 554 THR CB C 554 71.292 71.292 70.817 0.475 25657 1880 1 5 . 1 1 554 554 THR H H 554 8.620 8.620 7.827 0.793 25657 1881 1 5 . 1 1 555 555 ALA N N 555 122.620 122.620 126.844 -4.224 25657 1882 1 5 . 1 1 555 555 ALA HA H 555 4.096 4.096 4.108 -0.012 25657 1883 1 5 . 1 1 555 555 ALA CA C 555 55.354 55.354 53.961 1.393 25657 1884 1 5 . 1 1 555 555 ALA CB C 555 18.127 18.127 18.274 -0.147 25657 1885 1 5 . 1 1 555 555 ALA H H 555 8.682 8.682 8.897 -0.215 25657 1886 1 5 . 1 1 556 556 ILE N N 556 114.464 114.464 119.821 -5.357 25657 1887 1 5 . 1 1 556 556 ILE HA H 556 3.889 3.889 3.741 0.148 25657 1888 1 5 . 1 1 556 556 ILE CA C 556 63.370 63.370 63.377 -0.007 25657 1889 1 5 . 1 1 556 556 ILE CB C 556 38.073 38.073 37.968 0.105 25657 1890 1 5 . 1 1 556 556 ILE H H 556 7.702 7.702 7.899 -0.197 25657 1891 1 5 . 1 1 557 557 GLU N N 557 121.301 121.301 119.301 2.000 25657 1892 1 5 . 1 1 557 557 GLU HA H 557 4.256 4.256 3.995 0.261 25657 1893 1 5 . 1 1 557 557 GLU CA C 557 58.771 58.771 58.292 0.479 25657 1894 1 5 . 1 1 557 557 GLU CB C 557 31.316 31.316 29.287 2.029 25657 1895 1 5 . 1 1 557 557 GLU H H 557 7.545 7.545 8.202 -0.657 25657 1896 1 5 . 1 1 558 558 LEU N N 558 118.899 118.899 119.456 -0.557 25657 1897 1 5 . 1 1 558 558 LEU HA H 558 4.062 4.062 4.081 -0.019 25657 1898 1 5 . 1 1 558 558 LEU CA C 558 58.004 58.004 57.326 0.678 25657 1899 1 5 . 1 1 558 558 LEU CB C 558 42.417 42.417 41.285 1.131 25657 1900 1 5 . 1 1 558 558 LEU H H 558 7.829 7.829 7.518 0.311 25657 1901 1 5 . 1 1 562 562 TRP HA H 562 4.366 4.366 4.445 -0.079 25657 1902 1 5 . 1 1 562 562 TRP CA C 562 59.793 59.793 59.629 0.164 25657 1903 1 5 . 1 1 562 562 TRP CB C 562 28.874 28.874 28.010 0.864 25657 1904 1 5 . 1 1 563 563 VAL HA H 563 3.659 3.659 2.790 0.869 25657 1905 1 5 . 1 1 563 563 VAL CA C 563 65.926 65.926 65.546 0.380 25657 1906 1 5 . 1 1 563 563 VAL CB C 563 31.429 31.429 31.886 -0.457 25657 1907 1 5 . 1 1 564 564 ARG HA H 564 4.273 4.273 3.907 0.366 25657 1908 1 5 . 1 1 564 564 ARG CA C 564 56.982 56.982 59.064 -2.082 25657 1909 1 5 . 1 1 564 564 ARG CB C 564 30.151 30.151 29.589 0.562 25657 1910 1 5 . 1 1 566 566 LEU HA H 566 4.057 4.057 4.050 0.007 25657 1911 1 5 . 1 1 566 566 LEU CA C 566 57.749 57.749 56.768 0.981 25657 1912 1 5 . 1 1 566 566 LEU CB C 566 41.139 41.139 41.088 0.051 25657 1913 1 5 . 1 1 567 567 ALA HA H 567 4.004 4.004 4.253 -0.249 25657 1914 1 5 . 1 1 567 567 ALA CA C 567 54.427 54.427 55.032 -0.605 25657 1915 1 5 . 1 1 567 567 ALA CB C 567 19.419 19.419 18.590 0.829 25657 1916 1 5 . 1 1 569 569 ALA N N 569 123.940 123.940 122.369 1.571 25657 1917 1 5 . 1 1 569 569 ALA HA H 569 3.741 3.741 4.173 -0.432 25657 1918 1 5 . 1 1 569 569 ALA CB C 569 17.725 17.725 18.600 -0.875 25657 1919 1 5 . 1 1 570 570 LEU N N 570 117.193 117.193 118.496 -1.303 25657 1920 1 5 . 1 1 570 570 LEU HA H 570 4.039 4.039 4.326 -0.287 25657 1921 1 5 . 1 1 570 570 LEU CA C 570 57.749 57.749 56.842 0.907 25657 1922 1 5 . 1 1 570 570 LEU CB C 570 41.906 41.906 42.093 -0.187 25657 1923 1 5 . 1 1 570 570 LEU H H 570 7.636 7.636 7.682 -0.046 25657 1924 1 5 . 1 1 573 573 LEU N N 573 123.340 123.340 122.555 0.785 25657 1925 1 5 . 1 1 573 573 LEU HA H 573 4.150 4.150 4.255 -0.105 25657 1926 1 5 . 1 1 573 573 LEU CA C 573 57.757 57.757 57.226 0.531 25657 1927 1 5 . 1 1 573 573 LEU CB C 573 42.417 42.417 42.590 -0.173 25657 1928 1 5 . 1 1 573 573 LEU H H 573 8.510 8.510 7.796 0.714 25657 1929 1 5 . 1 1 574 574 TYR N N 574 114.647 114.647 116.344 -1.697 25657 1930 1 5 . 1 1 574 574 TYR H H 574 7.510 7.510 7.822 -0.312 25657 1931 1 5 . 1 1 575 575 MET N N 575 123.163 123.163 121.267 1.896 25657 1932 1 5 . 1 1 575 575 MET HA H 575 4.363 4.363 4.496 -0.133 25657 1933 1 5 . 1 1 575 575 MET CA C 575 55.449 55.449 55.987 -0.538 25657 1934 1 5 . 1 1 575 575 MET CB C 575 29.385 29.385 31.904 -2.519 25657 1935 1 5 . 1 1 575 575 MET H H 575 7.209 7.209 7.449 -0.240 25657 1936 1 5 . 1 1 579 579 GLU N N 579 123.708 123.708 121.615 2.093 25657 1937 1 5 . 1 1 579 579 GLU HA H 579 4.402 4.402 4.197 0.205 25657 1938 1 5 . 1 1 579 579 GLU CA C 579 57.749 57.749 59.136 -1.387 25657 1939 1 5 . 1 1 579 579 GLU CB C 579 29.193 29.193 29.494 -0.301 25657 1940 1 5 . 1 1 579 579 GLU H H 579 8.893 8.893 8.341 0.552 25657 1941 1 5 . 1 1 580 580 GLN N N 580 119.901 119.901 119.455 0.446 25657 1942 1 5 . 1 1 580 580 GLN HA H 580 4.231 4.231 4.194 0.037 25657 1943 1 5 . 1 1 580 580 GLN CA C 580 58.200 58.200 59.021 -0.821 25657 1944 1 5 . 1 1 580 580 GLN CB C 580 29.385 29.385 28.465 0.920 25657 1945 1 5 . 1 1 580 580 GLN H H 580 7.768 7.768 8.481 -0.713 25657 1946 1 5 . 1 1 581 581 VAL N N 581 118.005 118.005 119.803 -1.798 25657 1947 1 5 . 1 1 581 581 VAL HA H 581 3.786 3.786 3.684 0.102 25657 1948 1 5 . 1 1 581 581 VAL CA C 581 61.326 61.326 66.243 -4.917 25657 1949 1 5 . 1 1 581 581 VAL CB C 581 34.495 34.495 31.002 3.493 25657 1950 1 5 . 1 1 581 581 VAL H H 581 8.874 8.874 8.093 0.781 25657 1951 1 5 . 1 1 582 582 ASP N N 582 123.700 123.700 119.874 3.826 25657 1952 1 5 . 1 1 582 582 ASP HA H 582 4.161 4.161 4.218 -0.057 25657 1953 1 5 . 1 1 582 582 ASP CA C 582 58.260 58.260 57.854 0.406 25657 1954 1 5 . 1 1 582 582 ASP CB C 582 39.355 39.355 40.192 -0.837 25657 1955 1 5 . 1 1 582 582 ASP H H 582 7.604 7.604 7.841 -0.237 25657 1956 1 5 . 1 1 583 583 ASP N N 583 119.292 119.292 119.209 0.083 25657 1957 1 5 . 1 1 583 583 ASP HA H 583 4.546 4.546 4.452 0.094 25657 1958 1 5 . 1 1 583 583 ASP CA C 583 54.938 54.938 56.708 -1.770 25657 1959 1 5 . 1 1 583 583 ASP CB C 583 40.628 40.628 40.925 -0.297 25657 1960 1 5 . 1 1 583 583 ASP H H 583 8.376 8.376 7.616 0.760 25657 1961 1 5 . 1 1 584 584 VAL N N 584 121.900 121.900 119.667 2.233 25657 1962 1 5 . 1 1 584 584 VAL HA H 584 3.727 3.727 3.575 0.152 25657 1963 1 5 . 1 1 584 584 VAL CA C 584 65.159 65.159 66.122 -0.963 25657 1964 1 5 . 1 1 584 584 VAL CB C 584 31.429 31.429 31.395 0.035 25657 1965 1 5 . 1 1 584 584 VAL H H 584 7.732 7.732 7.628 0.104 25657 1966 1 5 . 1 1 585 585 LEU N N 585 119.481 119.481 118.921 0.560 25657 1967 1 5 . 1 1 585 585 LEU HA H 585 3.879 3.879 3.787 0.092 25657 1968 1 5 . 1 1 585 585 LEU CA C 585 57.493 57.493 58.045 -0.552 25657 1969 1 5 . 1 1 585 585 LEU CB C 585 40.628 40.628 40.841 -0.213 25657 1970 1 5 . 1 1 585 585 LEU H H 585 8.018 8.018 8.069 -0.051 25657 1971 1 5 . 1 1 586 586 GLU N N 586 118.081 118.081 118.412 -0.331 25657 1972 1 5 . 1 1 586 586 GLU HA H 586 4.283 4.283 3.885 0.398 25657 1973 1 5 . 1 1 586 586 GLU CA C 586 55.704 55.704 59.611 -3.907 25657 1974 1 5 . 1 1 586 586 GLU CB C 586 29.129 29.129 29.480 -0.351 25657 1975 1 5 . 1 1 586 586 GLU H H 586 7.729 7.729 8.158 -0.429 25657 1976 1 5 . 1 1 587 587 THR HA H 587 3.882 3.882 4.106 -0.224 25657 1977 1 5 . 1 1 587 587 THR CA C 587 66.400 66.400 66.423 -0.023 25657 1978 1 5 . 1 1 587 587 THR CB C 587 68.288 68.288 68.991 -0.703 25657 1979 1 5 . 1 1 588 588 ILE HA H 588 3.484 3.484 3.660 -0.176 25657 1980 1 5 . 1 1 588 588 ILE CA C 588 64.025 64.025 65.012 -0.987 25657 1981 1 5 . 1 1 588 588 ILE CB C 588 37.562 37.562 37.492 0.070 25657 1982 1 5 . 1 1 589 589 SER HA H 589 4.403 4.403 4.133 0.270 25657 1983 1 5 . 1 1 589 589 SER CA C 589 58.477 58.477 60.959 -2.482 25657 1984 1 5 . 1 1 589 589 SER CB C 589 63.314 63.314 63.736 -0.422 25657 1985 1 5 . 1 1 590 590 ALA N N 590 121.916 121.916 124.487 -2.571 25657 1986 1 5 . 1 1 590 590 ALA HA H 590 4.329 4.329 4.123 0.206 25657 1987 1 5 . 1 1 590 590 ALA CA C 590 51.871 51.871 53.919 -2.048 25657 1988 1 5 . 1 1 590 590 ALA CB C 590 19.324 19.324 19.027 0.297 25657 1989 1 5 . 1 1 590 590 ALA H H 590 7.097 7.097 7.314 -0.217 25657 1990 1 5 . 1 1 591 591 ILE N N 591 119.802 119.802 118.485 1.317 25657 1991 1 5 . 1 1 591 591 ILE HA H 591 4.175 4.175 4.033 0.142 25657 1992 1 5 . 1 1 591 591 ILE CA C 591 61.070 61.070 59.652 1.418 25657 1993 1 5 . 1 1 591 591 ILE CB C 591 38.584 38.584 37.650 0.934 25657 1994 1 5 . 1 1 591 591 ILE H H 591 7.990 7.990 7.739 0.251 25657 1995 1 5 . 1 1 593 593 HIS HA H 593 4.874 4.874 5.189 -0.315 25657 1996 1 5 . 1 1 593 593 HIS CA C 593 53.660 53.660 52.413 1.247 25657 1997 1 5 . 1 1 593 593 HIS CB C 593 30.094 30.094 29.295 0.799 25657 1998 1 5 . 1 1 594 594 PRO HA H 594 4.325 4.325 4.190 0.135 25657 1999 1 5 . 1 1 594 594 PRO CA C 594 63.355 63.355 63.746 -0.391 25657 2000 1 5 . 1 1 594 594 PRO CB C 594 31.940 31.940 32.149 -0.209 25657 2001 1 5 . 1 1 595 595 MET N N 595 120.044 120.044 116.727 3.317 25657 2002 1 5 . 1 1 595 595 MET H H 595 8.232 8.232 8.270 -0.038 25657 2003 1 5 . 1 1 596 596 THR HA H 596 3.558 3.558 3.956 -0.398 25657 2004 1 5 . 1 1 596 596 THR CA C 596 68.481 68.481 65.530 2.951 25657 2005 1 5 . 1 1 596 596 THR CB C 596 68.225 68.225 68.463 -0.238 25657 2006 1 5 . 1 1 597 597 SER HA H 597 3.998 3.998 4.104 -0.106 25657 2007 1 5 . 1 1 597 597 SER CA C 597 61.070 61.070 61.887 -0.817 25657 2008 1 5 . 1 1 597 597 SER CB C 597 62.859 62.859 62.965 -0.106 25657 2009 1 5 . 1 1 598 598 ALA HA H 598 4.136 4.136 4.023 0.113 25657 2010 1 5 . 1 1 598 598 ALA CA C 598 54.171 54.171 55.126 -0.955 25657 2011 1 5 . 1 1 598 598 ALA CB C 598 18.141 18.141 17.988 0.154 25657 2012 1 5 . 1 1 599 599 ILE HA H 599 3.456 3.456 3.585 -0.129 25657 2013 1 5 . 1 1 599 599 ILE CA C 599 66.181 66.181 64.766 1.415 25657 2014 1 5 . 1 1 599 599 ILE CB C 599 37.802 37.802 37.719 0.083 25657 2015 1 5 . 1 1 600 600 GLU HA H 600 3.658 3.658 3.869 -0.211 25657 2016 1 5 . 1 1 600 600 GLU CA C 600 60.048 60.048 59.888 0.160 25657 2017 1 5 . 1 1 600 600 GLU CB C 600 29.385 29.385 29.551 -0.166 25657 2018 1 5 . 1 1 601 601 VAL HA H 601 3.735 3.735 3.778 -0.043 25657 2019 1 5 . 1 1 601 601 VAL CA C 601 65.926 65.926 65.749 0.177 25657 2020 1 5 . 1 1 601 601 VAL CB C 601 31.684 31.684 31.628 0.056 25657 2021 1 5 . 1 1 603 603 VAL HA H 603 3.734 3.734 3.724 0.010 25657 2022 1 5 . 1 1 603 603 VAL CA C 603 65.415 65.415 65.969 -0.554 25657 2023 1 5 . 1 1 603 603 VAL CB C 603 31.684 31.684 30.751 0.933 25657 2024 1 5 . 1 1 604 604 GLY CA C 604 47.272 47.272 47.225 0.047 25657 2025 1 5 . 1 1 606 606 CYS HA H 606 4.827 4.827 4.415 0.412 25657 2026 1 5 . 1 1 606 606 CYS CA C 606 54.938 54.938 57.995 -3.057 25657 2027 1 5 . 1 1 606 606 CYS CB C 606 33.218 33.218 26.965 6.253 25657 2028 1 5 . 1 1 607 607 ALA HA H 607 4.652 4.652 4.347 0.305 25657 2029 1 5 . 1 1 607 607 ALA CA C 607 54.682 54.682 51.952 2.730 25657 2030 1 5 . 1 1 607 607 ALA CB C 607 19.419 19.419 19.804 -0.385 25657 2031 1 6 . 1 1 484 484 LYS HA H 484 4.551 4.551 4.228 0.323 25657 2032 1 6 . 1 1 484 484 LYS CA C 484 55.960 55.960 56.332 -0.372 25657 2033 1 6 . 1 1 484 484 LYS CB C 484 32.962 32.962 33.000 -0.038 25657 2034 1 6 . 1 1 488 488 ALA HA H 488 3.926 3.926 4.023 -0.097 25657 2035 1 6 . 1 1 488 488 ALA CA C 488 54.682 54.682 54.757 -0.075 25657 2036 1 6 . 1 1 488 488 ALA CB C 488 18.652 18.652 17.996 0.656 25657 2037 1 6 . 1 1 489 489 ALA HA H 489 3.910 3.910 3.983 -0.073 25657 2038 1 6 . 1 1 489 489 ALA CA C 489 54.563 54.563 55.124 -0.561 25657 2039 1 6 . 1 1 489 489 ALA CB C 489 18.733 18.733 18.255 0.478 25657 2040 1 6 . 1 1 490 490 ILE HA H 490 4.120 4.120 3.613 0.507 25657 2041 1 6 . 1 1 490 490 ILE CA C 490 61.752 61.752 63.806 -2.054 25657 2042 1 6 . 1 1 490 490 ILE CB C 490 38.584 38.584 36.889 1.695 25657 2043 1 6 . 1 1 493 493 LEU HA H 493 4.293 4.293 4.359 -0.066 25657 2044 1 6 . 1 1 493 493 LEU CA C 493 55.121 55.121 56.070 -0.949 25657 2045 1 6 . 1 1 493 493 LEU CB C 493 42.180 42.180 41.311 0.869 25657 2046 1 6 . 1 1 494 494 GLY CA C 494 47.527 47.527 46.800 0.727 25657 2047 1 6 . 1 1 496 496 ALA HA H 496 4.034 4.034 4.194 -0.160 25657 2048 1 6 . 1 1 496 496 ALA CA C 496 55.704 55.704 54.963 0.741 25657 2049 1 6 . 1 1 496 496 ALA CB C 496 19.830 19.830 18.169 1.661 25657 2050 1 6 . 1 1 497 497 PHE HA H 497 4.621 4.621 4.196 0.425 25657 2051 1 6 . 1 1 497 497 PHE CA C 497 57.493 57.493 58.552 -1.059 25657 2052 1 6 . 1 1 497 497 PHE CB C 497 38.584 38.584 37.882 0.702 25657 2053 1 6 . 1 1 498 498 ALA HA H 498 3.822 3.822 4.013 -0.191 25657 2054 1 6 . 1 1 498 498 ALA CA C 498 54.735 54.735 54.654 0.081 25657 2055 1 6 . 1 1 498 498 ALA CB C 498 18.397 18.397 18.305 0.092 25657 2056 1 6 . 1 1 500 500 SER N N 500 113.984 113.984 115.622 -1.638 25657 2057 1 6 . 1 1 500 500 SER HA H 500 4.200 4.200 4.063 0.137 25657 2058 1 6 . 1 1 500 500 SER CA C 500 60.559 60.559 60.341 0.218 25657 2059 1 6 . 1 1 500 500 SER CB C 500 65.159 65.159 62.882 2.277 25657 2060 1 6 . 1 1 500 500 SER H H 500 8.124 8.124 7.877 0.247 25657 2061 1 6 . 1 1 501 501 LYS N N 501 118.485 118.485 119.620 -1.135 25657 2062 1 6 . 1 1 501 501 LYS HA H 501 4.276 4.276 4.036 0.240 25657 2063 1 6 . 1 1 501 501 LYS CA C 501 55.960 55.960 55.208 0.752 25657 2064 1 6 . 1 1 501 501 LYS H H 501 8.419 8.419 7.911 0.508 25657 2065 1 6 . 1 1 502 502 ASN N N 502 115.874 115.874 117.773 -1.899 25657 2066 1 6 . 1 1 502 502 ASN HA H 502 4.275 4.275 4.912 -0.637 25657 2067 1 6 . 1 1 502 502 ASN CA C 502 55.449 55.449 52.517 2.932 25657 2068 1 6 . 1 1 502 502 ASN CB C 502 39.861 39.861 40.290 -0.429 25657 2069 1 6 . 1 1 502 502 ASN H H 502 6.247 6.247 7.613 -1.366 25657 2070 1 6 . 1 1 503 503 ASP N N 503 127.293 127.293 119.050 8.243 25657 2071 1 6 . 1 1 503 503 ASP HA H 503 4.551 4.551 4.544 0.007 25657 2072 1 6 . 1 1 503 503 ASP CA C 503 56.982 56.982 56.535 0.447 25657 2073 1 6 . 1 1 503 503 ASP CB C 503 41.395 41.395 40.897 0.498 25657 2074 1 6 . 1 1 503 503 ASP H H 503 8.734 8.734 8.881 -0.147 25657 2075 1 6 . 1 1 504 504 GLU N N 504 123.432 123.432 120.922 2.510 25657 2076 1 6 . 1 1 504 504 GLU HA H 504 4.094 4.094 4.155 -0.061 25657 2077 1 6 . 1 1 504 504 GLU CA C 504 59.282 59.282 59.068 0.214 25657 2078 1 6 . 1 1 504 504 GLU CB C 504 28.618 28.618 29.633 -1.015 25657 2079 1 6 . 1 1 504 504 GLU H H 504 8.208 8.208 8.290 -0.082 25657 2080 1 6 . 1 1 505 505 VAL N N 505 121.171 121.171 120.163 1.008 25657 2081 1 6 . 1 1 505 505 VAL HA H 505 3.284 3.284 3.688 -0.404 25657 2082 1 6 . 1 1 505 505 VAL CA C 505 66.547 66.547 65.541 1.006 25657 2083 1 6 . 1 1 505 505 VAL CB C 505 30.918 30.918 31.719 -0.801 25657 2084 1 6 . 1 1 505 505 VAL H H 505 8.343 8.343 7.949 0.394 25657 2085 1 6 . 1 1 506 506 LEU N N 506 120.468 120.468 120.925 -0.457 25657 2086 1 6 . 1 1 506 506 LEU HA H 506 3.956 3.956 4.115 -0.159 25657 2087 1 6 . 1 1 506 506 LEU CA C 506 58.667 58.667 58.133 0.534 25657 2088 1 6 . 1 1 506 506 LEU CB C 506 41.139 41.139 41.643 -0.504 25657 2089 1 6 . 1 1 506 506 LEU H H 506 7.677 7.677 7.713 -0.036 25657 2090 1 6 . 1 1 507 507 GLY N N 507 102.846 102.846 106.127 -3.281 25657 2091 1 6 . 1 1 507 507 GLY CA C 507 46.428 46.428 46.873 -0.445 25657 2092 1 6 . 1 1 507 507 GLY H H 507 7.864 7.864 7.677 0.187 25657 2093 1 6 . 1 1 508 508 LEU N N 508 119.101 119.101 122.030 -2.929 25657 2094 1 6 . 1 1 508 508 LEU HA H 508 4.209 4.209 4.464 -0.255 25657 2095 1 6 . 1 1 508 508 LEU CA C 508 56.471 56.471 57.131 -0.660 25657 2096 1 6 . 1 1 508 508 LEU CB C 508 43.362 43.362 42.607 0.755 25657 2097 1 6 . 1 1 508 508 LEU H H 508 7.368 7.368 7.658 -0.290 25657 2098 1 6 . 1 1 509 509 LEU N N 509 112.199 112.199 119.734 -7.535 25657 2099 1 6 . 1 1 509 509 LEU HA H 509 4.387 4.387 4.008 0.379 25657 2100 1 6 . 1 1 509 509 LEU CA C 509 55.073 55.073 58.049 -2.976 25657 2101 1 6 . 1 1 509 509 LEU CB C 509 42.111 42.111 41.749 0.362 25657 2102 1 6 . 1 1 509 509 LEU H H 509 8.043 8.043 8.296 -0.253 25657 2103 1 6 . 1 1 510 510 LEU N N 510 124.597 124.597 121.154 3.443 25657 2104 1 6 . 1 1 510 510 LEU HA H 510 3.986 3.986 4.092 -0.106 25657 2105 1 6 . 1 1 510 510 LEU CA C 510 59.537 59.537 60.405 -0.868 25657 2106 1 6 . 1 1 510 510 LEU CB C 510 38.809 38.809 38.813 -0.004 25657 2107 1 6 . 1 1 510 510 LEU H H 510 9.023 9.023 7.893 1.130 25657 2108 1 6 . 1 1 511 511 PRO HA H 511 4.188 4.188 4.180 0.008 25657 2109 1 6 . 1 1 511 511 PRO CA C 511 65.159 65.159 65.912 -0.753 25657 2110 1 6 . 1 1 511 511 PRO CB C 511 31.173 31.173 31.262 -0.089 25657 2111 1 6 . 1 1 512 512 ILE N N 512 116.144 116.144 115.300 0.844 25657 2112 1 6 . 1 1 512 512 ILE HA H 512 3.555 3.555 4.021 -0.466 25657 2113 1 6 . 1 1 512 512 ILE CA C 512 63.626 63.626 63.244 0.382 25657 2114 1 6 . 1 1 512 512 ILE CB C 512 37.562 37.562 37.852 -0.290 25657 2115 1 6 . 1 1 512 512 ILE H H 512 6.740 6.740 7.327 -0.587 25657 2116 1 6 . 1 1 513 513 ALA N N 513 120.058 120.058 122.992 -2.934 25657 2117 1 6 . 1 1 513 513 ALA HA H 513 4.001 4.001 4.293 -0.292 25657 2118 1 6 . 1 1 513 513 ALA CA C 513 54.684 54.684 53.138 1.546 25657 2119 1 6 . 1 1 513 513 ALA CB C 513 17.961 17.961 18.522 -0.561 25657 2120 1 6 . 1 1 513 513 ALA H H 513 7.742 7.742 8.192 -0.450 25657 2121 1 6 . 1 1 514 514 ALA N N 514 112.305 112.305 119.509 -7.204 25657 2122 1 6 . 1 1 514 514 ALA HA H 514 4.043 4.043 4.400 -0.357 25657 2123 1 6 . 1 1 514 514 ALA CA C 514 51.908 51.908 51.136 0.772 25657 2124 1 6 . 1 1 514 514 ALA CB C 514 19.430 19.430 18.777 0.653 25657 2125 1 6 . 1 1 514 514 ALA H H 514 7.900 7.900 7.592 0.308 25657 2126 1 6 . 1 1 515 515 SER N N 515 113.093 113.093 113.287 -0.194 25657 2127 1 6 . 1 1 515 515 SER HA H 515 4.372 4.372 4.115 0.257 25657 2128 1 6 . 1 1 515 515 SER CA C 515 57.781 57.781 58.432 -0.651 25657 2129 1 6 . 1 1 515 515 SER CB C 515 63.115 63.115 62.341 0.774 25657 2130 1 6 . 1 1 515 515 SER H H 515 7.103 7.103 7.574 -0.471 25657 2131 1 6 . 1 1 516 516 THR N N 516 115.846 115.846 114.659 1.187 25657 2132 1 6 . 1 1 516 516 THR HA H 516 4.187 4.187 4.272 -0.085 25657 2133 1 6 . 1 1 516 516 THR CA C 516 62.093 62.093 63.654 -1.561 25657 2134 1 6 . 1 1 516 516 THR CB C 516 67.714 67.714 69.762 -2.048 25657 2135 1 6 . 1 1 516 516 THR H H 516 8.161 8.161 8.520 -0.359 25657 2136 1 6 . 1 1 517 517 ASP N N 517 118.302 118.302 119.786 -1.484 25657 2137 1 6 . 1 1 517 517 ASP HA H 517 4.574 4.574 4.802 -0.228 25657 2138 1 6 . 1 1 517 517 ASP CA C 517 54.171 54.171 53.888 0.283 25657 2139 1 6 . 1 1 517 517 ASP CB C 517 41.139 41.139 40.846 0.292 25657 2140 1 6 . 1 1 517 517 ASP H H 517 8.295 8.295 8.118 0.177 25657 2141 1 6 . 1 1 518 518 LEU N N 518 121.136 121.136 117.817 3.319 25657 2142 1 6 . 1 1 518 518 LEU HA H 518 4.531 4.531 4.980 -0.449 25657 2143 1 6 . 1 1 518 518 LEU CA C 518 53.050 53.050 51.512 1.538 25657 2144 1 6 . 1 1 518 518 LEU CB C 518 40.884 40.884 43.180 -2.296 25657 2145 1 6 . 1 1 518 518 LEU H H 518 7.150 7.150 7.504 -0.354 25657 2146 1 6 . 1 1 519 519 PRO HA H 519 4.385 4.385 4.364 0.021 25657 2147 1 6 . 1 1 519 519 PRO CA C 519 63.115 63.115 63.249 -0.134 25657 2148 1 6 . 1 1 519 519 PRO CB C 519 32.195 32.195 32.595 -0.400 25657 2149 1 6 . 1 1 520 520 ILE N N 520 121.919 121.919 122.199 -0.280 25657 2150 1 6 . 1 1 520 520 ILE HA H 520 3.760 3.760 3.714 0.046 25657 2151 1 6 . 1 1 520 520 ILE CA C 520 63.881 63.881 63.807 0.074 25657 2152 1 6 . 1 1 520 520 ILE CB C 520 37.817 37.817 38.119 -0.302 25657 2153 1 6 . 1 1 520 520 ILE H H 520 8.655 8.655 8.279 0.376 25657 2154 1 6 . 1 1 522 522 THR N N 522 114.698 114.698 111.983 2.715 25657 2155 1 6 . 1 1 522 522 THR HA H 522 3.647 3.647 4.110 -0.463 25657 2156 1 6 . 1 1 522 522 THR CA C 522 65.670 65.670 65.144 0.525 25657 2157 1 6 . 1 1 522 522 THR CB C 522 68.481 68.481 68.811 -0.330 25657 2158 1 6 . 1 1 522 522 THR H H 522 6.636 6.636 7.450 -0.814 25657 2159 1 6 . 1 1 523 523 ALA N N 523 122.860 122.860 123.480 -0.620 25657 2160 1 6 . 1 1 523 523 ALA HA H 523 3.940 3.940 3.935 0.005 25657 2161 1 6 . 1 1 523 523 ALA CA C 523 55.415 55.415 54.658 0.757 25657 2162 1 6 . 1 1 523 523 ALA CB C 523 18.392 18.392 18.291 0.101 25657 2163 1 6 . 1 1 523 523 ALA H H 523 7.251 7.251 7.750 -0.499 25657 2164 1 6 . 1 1 524 524 ALA N N 524 121.541 121.541 122.453 -0.912 25657 2165 1 6 . 1 1 524 524 ALA HA H 524 3.933 3.933 4.080 -0.147 25657 2166 1 6 . 1 1 524 524 ALA CA C 524 55.193 55.193 54.835 0.358 25657 2167 1 6 . 1 1 524 524 ALA CB C 524 18.652 18.652 18.557 0.095 25657 2168 1 6 . 1 1 524 524 ALA H H 524 9.218 9.218 8.299 0.919 25657 2169 1 6 . 1 1 526 526 ALA HA H 526 3.886 3.886 4.006 -0.120 25657 2170 1 6 . 1 1 526 526 ALA CA C 526 55.544 55.544 55.246 0.298 25657 2171 1 6 . 1 1 526 526 ALA CB C 526 18.113 18.113 18.046 0.067 25657 2172 1 6 . 1 1 527 527 SER HA H 527 3.932 3.932 4.160 -0.228 25657 2173 1 6 . 1 1 527 527 SER CA C 527 60.304 60.304 62.013 -1.709 25657 2174 1 6 . 1 1 527 527 SER CB C 527 62.859 62.859 63.020 -0.161 25657 2175 1 6 . 1 1 528 528 LEU HA H 528 4.030 4.030 4.043 -0.013 25657 2176 1 6 . 1 1 528 528 LEU CA C 528 57.252 57.252 58.154 -0.902 25657 2177 1 6 . 1 1 528 528 LEU CB C 528 41.555 41.555 41.979 -0.424 25657 2178 1 6 . 1 1 529 529 ALA HA H 529 4.312 4.312 4.054 0.258 25657 2179 1 6 . 1 1 529 529 ALA CA C 529 52.127 52.127 55.292 -3.165 25657 2180 1 6 . 1 1 529 529 ALA CB C 529 18.908 18.908 18.252 0.656 25657 2181 1 6 . 1 1 530 530 LEU HA H 530 3.931 3.931 4.383 -0.452 25657 2182 1 6 . 1 1 530 530 LEU CA C 530 57.493 57.493 57.379 0.114 25657 2183 1 6 . 1 1 530 530 LEU CB C 530 42.161 42.161 40.869 1.292 25657 2184 1 6 . 1 1 531 531 ALA N N 531 121.603 121.603 122.232 -0.629 25657 2185 1 6 . 1 1 531 531 ALA HA H 531 3.874 3.874 4.115 -0.241 25657 2186 1 6 . 1 1 531 531 ALA CA C 531 55.704 55.704 55.127 0.577 25657 2187 1 6 . 1 1 531 531 ALA CB C 531 19.842 19.842 18.602 1.240 25657 2188 1 6 . 1 1 531 531 ALA H H 531 8.675 8.675 8.116 0.559 25657 2189 1 6 . 1 1 533 533 VAL HA H 533 4.073 4.073 4.006 0.067 25657 2190 1 6 . 1 1 533 533 VAL CA C 533 66.437 66.437 66.623 -0.186 25657 2191 1 6 . 1 1 533 533 VAL CB C 533 31.684 31.684 32.591 -0.907 25657 2192 1 6 . 1 1 535 535 VAL N N 535 125.207 125.207 120.930 4.277 25657 2193 1 6 . 1 1 535 535 VAL HA H 535 4.047 4.047 3.762 0.285 25657 2194 1 6 . 1 1 535 535 VAL CA C 535 62.093 62.093 64.513 -2.421 25657 2195 1 6 . 1 1 535 535 VAL CB C 535 30.918 30.918 31.056 -0.138 25657 2196 1 6 . 1 1 535 535 VAL H H 535 6.624 6.624 8.190 -1.566 25657 2197 1 6 . 1 1 536 536 GLY N N 536 116.145 116.145 107.086 9.059 25657 2198 1 6 . 1 1 536 536 GLY CA C 536 45.994 45.994 45.324 0.670 25657 2199 1 6 . 1 1 536 536 GLY H H 536 7.749 7.749 7.847 -0.098 25657 2200 1 6 . 1 1 537 537 THR N N 537 116.707 116.707 113.931 2.776 25657 2201 1 6 . 1 1 537 537 THR HA H 537 4.262 4.262 4.595 -0.333 25657 2202 1 6 . 1 1 537 537 THR CA C 537 62.604 62.604 60.493 2.111 25657 2203 1 6 . 1 1 537 537 THR CB C 537 72.058 72.058 71.475 0.583 25657 2204 1 6 . 1 1 537 537 THR H H 537 7.962 7.962 7.567 0.395 25657 2205 1 6 . 1 1 538 538 CYS N N 538 114.912 114.912 122.985 -8.073 25657 2206 1 6 . 1 1 538 538 CYS HA H 538 4.308 4.308 4.899 -0.591 25657 2207 1 6 . 1 1 538 538 CYS CB C 538 36.284 36.284 29.599 6.685 25657 2208 1 6 . 1 1 538 538 CYS H H 538 8.598 8.598 8.456 0.142 25657 2209 1 6 . 1 1 539 539 ASN N N 539 114.935 114.935 119.523 -4.588 25657 2210 1 6 . 1 1 539 539 ASN HA H 539 4.121 4.121 4.820 -0.699 25657 2211 1 6 . 1 1 539 539 ASN CA C 539 56.215 56.215 52.641 3.574 25657 2212 1 6 . 1 1 539 539 ASN CB C 539 40.628 40.628 41.798 -1.170 25657 2213 1 6 . 1 1 539 539 ASN H H 539 6.886 6.886 8.394 -1.508 25657 2214 1 6 . 1 1 540 540 GLY N N 540 120.207 120.207 110.678 9.529 25657 2215 1 6 . 1 1 540 540 GLY CA C 540 47.527 47.527 46.270 1.257 25657 2216 1 6 . 1 1 540 540 GLY H H 540 9.345 9.345 8.729 0.616 25657 2217 1 6 . 1 1 541 541 ASP N N 541 123.940 123.940 123.315 0.625 25657 2218 1 6 . 1 1 541 541 ASP HA H 541 4.442 4.442 4.330 0.112 25657 2219 1 6 . 1 1 541 541 ASP CA C 541 57.493 57.493 56.676 0.817 25657 2220 1 6 . 1 1 541 541 ASP CB C 541 39.861 39.861 40.164 -0.303 25657 2221 1 6 . 1 1 541 541 ASP H H 541 7.768 7.768 8.459 -0.691 25657 2222 1 6 . 1 1 542 542 ILE N N 542 121.748 121.748 118.193 3.555 25657 2223 1 6 . 1 1 542 542 ILE HA H 542 3.423 3.423 3.548 -0.125 25657 2224 1 6 . 1 1 542 542 ILE CA C 542 64.903 64.903 64.373 0.530 25657 2225 1 6 . 1 1 542 542 ILE CB C 542 37.562 37.562 37.341 0.221 25657 2226 1 6 . 1 1 542 542 ILE H H 542 8.866 8.866 8.026 0.840 25657 2227 1 6 . 1 1 543 543 THR N N 543 117.103 117.103 115.286 1.817 25657 2228 1 6 . 1 1 543 543 THR HA H 543 3.535 3.535 4.190 -0.655 25657 2229 1 6 . 1 1 543 543 THR CA C 543 68.481 68.481 66.112 2.369 25657 2230 1 6 . 1 1 543 543 THR CB C 543 68.481 68.481 68.631 -0.150 25657 2231 1 6 . 1 1 543 543 THR H H 543 8.047 8.047 8.224 -0.177 25657 2232 1 6 . 1 1 544 544 THR N N 544 117.176 117.176 117.857 -0.681 25657 2233 1 6 . 1 1 544 544 THR HA H 544 3.749 3.749 3.986 -0.237 25657 2234 1 6 . 1 1 544 544 THR CA C 544 66.692 66.692 66.619 0.073 25657 2235 1 6 . 1 1 544 544 THR CB C 544 68.736 68.736 68.700 0.036 25657 2236 1 6 . 1 1 544 544 THR H H 544 8.240 8.240 8.357 -0.117 25657 2237 1 6 . 1 1 545 545 SER N N 545 117.103 117.103 117.205 -0.102 25657 2238 1 6 . 1 1 545 545 SER HA H 545 4.165 4.165 4.378 -0.213 25657 2239 1 6 . 1 1 545 545 SER CA C 545 62.348 62.348 62.288 0.060 25657 2240 1 6 . 1 1 545 545 SER CB C 545 62.348 62.348 63.210 -0.862 25657 2241 1 6 . 1 1 545 545 SER H H 545 7.407 7.407 7.600 -0.193 25657 2242 1 6 . 1 1 546 546 ILE N N 546 122.380 122.380 123.988 -1.608 25657 2243 1 6 . 1 1 546 546 ILE HA H 546 3.463 3.463 3.732 -0.269 25657 2244 1 6 . 1 1 546 546 ILE CA C 546 66.242 66.242 65.705 0.537 25657 2245 1 6 . 1 1 546 546 ILE CB C 546 38.328 38.328 38.303 0.025 25657 2246 1 6 . 1 1 546 546 ILE H H 546 7.830 7.830 7.612 0.218 25657 2247 1 6 . 1 1 547 547 MET N N 547 117.942 117.942 118.106 -0.164 25657 2248 1 6 . 1 1 547 547 MET HA H 547 4.498 4.498 4.224 0.274 25657 2249 1 6 . 1 1 547 547 MET CA C 547 56.982 56.982 58.544 -1.562 25657 2250 1 6 . 1 1 547 547 MET CB C 547 30.197 30.197 32.085 -1.888 25657 2251 1 6 . 1 1 547 547 MET H H 547 8.524 8.524 8.587 -0.063 25657 2252 1 6 . 1 1 548 548 ASP N N 548 119.475 119.475 119.172 0.303 25657 2253 1 6 . 1 1 548 548 ASP HA H 548 4.497 4.497 4.286 0.211 25657 2254 1 6 . 1 1 548 548 ASP CA C 548 57.493 57.493 57.477 0.016 25657 2255 1 6 . 1 1 548 548 ASP CB C 548 39.350 39.350 41.035 -1.685 25657 2256 1 6 . 1 1 548 548 ASP H H 548 8.820 8.820 7.775 1.045 25657 2257 1 6 . 1 1 549 549 ASN N N 549 116.905 116.905 118.288 -1.383 25657 2258 1 6 . 1 1 549 549 ASN HA H 549 4.141 4.141 4.509 -0.368 25657 2259 1 6 . 1 1 549 549 ASN CA C 549 57.493 57.493 55.776 1.716 25657 2260 1 6 . 1 1 549 549 ASN CB C 549 41.139 41.139 38.149 2.990 25657 2261 1 6 . 1 1 549 549 ASN H H 549 7.443 7.443 8.006 -0.563 25657 2262 1 6 . 1 1 550 550 PHE N N 550 115.303 115.303 119.357 -4.054 25657 2263 1 6 . 1 1 550 550 PHE HA H 550 4.384 4.384 4.191 0.193 25657 2264 1 6 . 1 1 550 550 PHE CA C 550 60.815 60.815 61.921 -1.106 25657 2265 1 6 . 1 1 550 550 PHE CB C 550 39.409 39.409 38.998 0.411 25657 2266 1 6 . 1 1 550 550 PHE H H 550 7.283 7.283 7.940 -0.657 25657 2267 1 6 . 1 1 551 551 LEU N N 551 117.577 117.577 115.901 1.676 25657 2268 1 6 . 1 1 551 551 LEU HA H 551 4.313 4.313 4.162 0.151 25657 2269 1 6 . 1 1 551 551 LEU CA C 551 56.471 56.471 57.017 -0.546 25657 2270 1 6 . 1 1 551 551 LEU CB C 551 43.183 43.183 42.110 1.073 25657 2271 1 6 . 1 1 551 551 LEU H H 551 8.274 8.274 7.605 0.669 25657 2272 1 6 . 1 1 552 552 GLU N N 552 115.846 115.846 118.946 -3.100 25657 2273 1 6 . 1 1 552 552 GLU HA H 552 3.942 3.942 4.116 -0.174 25657 2274 1 6 . 1 1 552 552 GLU CA C 552 59.282 59.282 57.506 1.776 25657 2275 1 6 . 1 1 552 552 GLU CB C 552 29.103 29.103 30.465 -1.362 25657 2276 1 6 . 1 1 552 552 GLU H H 552 8.161 8.161 7.893 0.268 25657 2277 1 6 . 1 1 553 553 ARG N N 553 116.743 116.743 118.825 -2.082 25657 2278 1 6 . 1 1 553 553 ARG HA H 553 4.574 4.574 4.000 0.574 25657 2279 1 6 . 1 1 553 553 ARG CA C 553 55.960 55.960 56.474 -0.514 25657 2280 1 6 . 1 1 553 553 ARG CB C 553 30.662 30.662 28.065 2.597 25657 2281 1 6 . 1 1 553 553 ARG H H 553 6.884 6.884 8.458 -1.574 25657 2282 1 6 . 1 1 554 554 THR N N 554 110.707 110.707 115.750 -5.043 25657 2283 1 6 . 1 1 554 554 THR HA H 554 4.389 4.389 4.182 0.207 25657 2284 1 6 . 1 1 554 554 THR CA C 554 61.070 61.070 62.418 -1.348 25657 2285 1 6 . 1 1 554 554 THR CB C 554 71.292 71.292 69.747 1.545 25657 2286 1 6 . 1 1 554 554 THR H H 554 8.620 8.620 7.884 0.736 25657 2287 1 6 . 1 1 555 555 ALA N N 555 122.620 122.620 125.338 -2.718 25657 2288 1 6 . 1 1 555 555 ALA HA H 555 4.096 4.096 3.989 0.107 25657 2289 1 6 . 1 1 555 555 ALA CA C 555 55.354 55.354 54.599 0.755 25657 2290 1 6 . 1 1 555 555 ALA CB C 555 18.127 18.127 18.563 -0.436 25657 2291 1 6 . 1 1 555 555 ALA H H 555 8.682 8.682 8.591 0.091 25657 2292 1 6 . 1 1 556 556 ILE N N 556 114.464 114.464 118.233 -3.769 25657 2293 1 6 . 1 1 556 556 ILE HA H 556 3.889 3.889 3.557 0.332 25657 2294 1 6 . 1 1 556 556 ILE CA C 556 63.370 63.370 62.258 1.112 25657 2295 1 6 . 1 1 556 556 ILE CB C 556 38.073 38.073 37.355 0.718 25657 2296 1 6 . 1 1 556 556 ILE H H 556 7.702 7.702 7.763 -0.061 25657 2297 1 6 . 1 1 557 557 GLU N N 557 121.301 121.301 120.099 1.202 25657 2298 1 6 . 1 1 557 557 GLU HA H 557 4.256 4.256 3.937 0.319 25657 2299 1 6 . 1 1 557 557 GLU CA C 557 58.771 58.771 58.547 0.224 25657 2300 1 6 . 1 1 557 557 GLU CB C 557 31.316 31.316 28.984 2.332 25657 2301 1 6 . 1 1 557 557 GLU H H 557 7.545 7.545 7.998 -0.453 25657 2302 1 6 . 1 1 558 558 LEU N N 558 118.899 118.899 114.816 4.083 25657 2303 1 6 . 1 1 558 558 LEU HA H 558 4.062 4.062 4.404 -0.342 25657 2304 1 6 . 1 1 558 558 LEU CA C 558 58.004 58.004 55.519 2.485 25657 2305 1 6 . 1 1 558 558 LEU CB C 558 42.417 42.417 41.924 0.493 25657 2306 1 6 . 1 1 558 558 LEU H H 558 7.829 7.829 7.695 0.134 25657 2307 1 6 . 1 1 562 562 TRP HA H 562 4.366 4.366 4.523 -0.157 25657 2308 1 6 . 1 1 562 562 TRP CA C 562 59.793 59.793 58.840 0.953 25657 2309 1 6 . 1 1 562 562 TRP CB C 562 28.874 28.874 28.900 -0.026 25657 2310 1 6 . 1 1 563 563 VAL HA H 563 3.659 3.659 2.381 1.278 25657 2311 1 6 . 1 1 563 563 VAL CA C 563 65.926 65.926 64.244 1.682 25657 2312 1 6 . 1 1 563 563 VAL CB C 563 31.429 31.429 31.027 0.402 25657 2313 1 6 . 1 1 564 564 ARG HA H 564 4.273 4.273 3.986 0.287 25657 2314 1 6 . 1 1 564 564 ARG CA C 564 56.982 56.982 59.400 -2.418 25657 2315 1 6 . 1 1 564 564 ARG CB C 564 30.151 30.151 30.084 0.067 25657 2316 1 6 . 1 1 566 566 LEU HA H 566 4.057 4.057 3.910 0.147 25657 2317 1 6 . 1 1 566 566 LEU CA C 566 57.749 57.749 58.663 -0.914 25657 2318 1 6 . 1 1 566 566 LEU CB C 566 41.139 41.139 41.579 -0.440 25657 2319 1 6 . 1 1 567 567 ALA HA H 567 4.004 4.004 4.113 -0.109 25657 2320 1 6 . 1 1 567 567 ALA CA C 567 54.427 54.427 54.862 -0.435 25657 2321 1 6 . 1 1 567 567 ALA CB C 567 19.419 19.419 18.153 1.266 25657 2322 1 6 . 1 1 569 569 ALA N N 569 123.940 123.940 121.658 2.282 25657 2323 1 6 . 1 1 569 569 ALA HA H 569 3.741 3.741 3.940 -0.199 25657 2324 1 6 . 1 1 569 569 ALA CB C 569 17.725 17.725 18.313 -0.588 25657 2325 1 6 . 1 1 570 570 LEU N N 570 117.193 117.193 117.670 -0.477 25657 2326 1 6 . 1 1 570 570 LEU HA H 570 4.039 4.039 4.140 -0.101 25657 2327 1 6 . 1 1 570 570 LEU CA C 570 57.749 57.749 57.063 0.686 25657 2328 1 6 . 1 1 570 570 LEU CB C 570 41.906 41.906 41.775 0.131 25657 2329 1 6 . 1 1 570 570 LEU H H 570 7.636 7.636 7.650 -0.014 25657 2330 1 6 . 1 1 573 573 LEU N N 573 123.340 123.340 119.800 3.540 25657 2331 1 6 . 1 1 573 573 LEU HA H 573 4.150 4.150 4.047 0.103 25657 2332 1 6 . 1 1 573 573 LEU CA C 573 57.757 57.757 57.777 -0.020 25657 2333 1 6 . 1 1 573 573 LEU CB C 573 42.417 42.417 42.109 0.308 25657 2334 1 6 . 1 1 573 573 LEU H H 573 8.510 8.510 8.135 0.375 25657 2335 1 6 . 1 1 574 574 TYR N N 574 114.647 114.647 114.882 -0.235 25657 2336 1 6 . 1 1 574 574 TYR H H 574 7.510 7.510 7.845 -0.335 25657 2337 1 6 . 1 1 575 575 MET N N 575 123.163 123.163 118.052 5.111 25657 2338 1 6 . 1 1 575 575 MET HA H 575 4.363 4.363 3.965 0.398 25657 2339 1 6 . 1 1 575 575 MET CA C 575 55.449 55.449 58.446 -2.997 25657 2340 1 6 . 1 1 575 575 MET CB C 575 29.385 29.385 32.205 -2.820 25657 2341 1 6 . 1 1 575 575 MET H H 575 7.209 7.209 8.468 -1.259 25657 2342 1 6 . 1 1 579 579 GLU N N 579 123.708 123.708 121.454 2.254 25657 2343 1 6 . 1 1 579 579 GLU HA H 579 4.402 4.402 3.903 0.499 25657 2344 1 6 . 1 1 579 579 GLU CA C 579 57.749 57.749 59.472 -1.723 25657 2345 1 6 . 1 1 579 579 GLU CB C 579 29.193 29.193 29.161 0.032 25657 2346 1 6 . 1 1 579 579 GLU H H 579 8.893 8.893 8.833 0.060 25657 2347 1 6 . 1 1 580 580 GLN N N 580 119.901 119.901 117.877 2.024 25657 2348 1 6 . 1 1 580 580 GLN HA H 580 4.231 4.231 4.169 0.062 25657 2349 1 6 . 1 1 580 580 GLN CA C 580 58.200 58.200 58.739 -0.539 25657 2350 1 6 . 1 1 580 580 GLN CB C 580 29.385 29.385 28.094 1.291 25657 2351 1 6 . 1 1 580 580 GLN H H 580 7.768 7.768 8.544 -0.776 25657 2352 1 6 . 1 1 581 581 VAL N N 581 118.005 118.005 120.450 -2.445 25657 2353 1 6 . 1 1 581 581 VAL HA H 581 3.786 3.786 3.471 0.315 25657 2354 1 6 . 1 1 581 581 VAL CA C 581 61.326 61.326 66.960 -5.634 25657 2355 1 6 . 1 1 581 581 VAL CB C 581 34.495 34.495 31.517 2.978 25657 2356 1 6 . 1 1 581 581 VAL H H 581 8.874 8.874 8.349 0.525 25657 2357 1 6 . 1 1 582 582 ASP N N 582 123.700 123.700 119.443 4.257 25657 2358 1 6 . 1 1 582 582 ASP HA H 582 4.161 4.161 4.183 -0.022 25657 2359 1 6 . 1 1 582 582 ASP CA C 582 58.260 58.260 57.289 0.971 25657 2360 1 6 . 1 1 582 582 ASP CB C 582 39.355 39.355 40.054 -0.699 25657 2361 1 6 . 1 1 582 582 ASP H H 582 7.604 7.604 7.772 -0.168 25657 2362 1 6 . 1 1 583 583 ASP N N 583 119.292 119.292 118.743 0.549 25657 2363 1 6 . 1 1 583 583 ASP HA H 583 4.546 4.546 4.409 0.137 25657 2364 1 6 . 1 1 583 583 ASP CA C 583 54.938 54.938 57.032 -2.094 25657 2365 1 6 . 1 1 583 583 ASP CB C 583 40.628 40.628 40.959 -0.331 25657 2366 1 6 . 1 1 583 583 ASP H H 583 8.376 8.376 7.730 0.646 25657 2367 1 6 . 1 1 584 584 VAL N N 584 121.900 121.900 119.696 2.204 25657 2368 1 6 . 1 1 584 584 VAL HA H 584 3.727 3.727 3.563 0.164 25657 2369 1 6 . 1 1 584 584 VAL CA C 584 65.159 65.159 65.828 -0.669 25657 2370 1 6 . 1 1 584 584 VAL CB C 584 31.429 31.429 31.144 0.285 25657 2371 1 6 . 1 1 584 584 VAL H H 584 7.732 7.732 7.674 0.058 25657 2372 1 6 . 1 1 585 585 LEU N N 585 119.481 119.481 120.087 -0.606 25657 2373 1 6 . 1 1 585 585 LEU HA H 585 3.879 3.879 3.751 0.128 25657 2374 1 6 . 1 1 585 585 LEU CA C 585 57.493 57.493 58.436 -0.943 25657 2375 1 6 . 1 1 585 585 LEU CB C 585 40.628 40.628 40.881 -0.253 25657 2376 1 6 . 1 1 585 585 LEU H H 585 8.018 8.018 7.878 0.140 25657 2377 1 6 . 1 1 586 586 GLU N N 586 118.081 118.081 117.993 0.088 25657 2378 1 6 . 1 1 586 586 GLU HA H 586 4.283 4.283 3.910 0.373 25657 2379 1 6 . 1 1 586 586 GLU CA C 586 55.704 55.704 59.386 -3.682 25657 2380 1 6 . 1 1 586 586 GLU CB C 586 29.129 29.129 28.966 0.163 25657 2381 1 6 . 1 1 586 586 GLU H H 586 7.729 7.729 8.089 -0.360 25657 2382 1 6 . 1 1 587 587 THR HA H 587 3.882 3.882 4.046 -0.164 25657 2383 1 6 . 1 1 587 587 THR CA C 587 66.400 66.400 66.387 0.013 25657 2384 1 6 . 1 1 587 587 THR CB C 587 68.288 68.288 68.310 -0.022 25657 2385 1 6 . 1 1 588 588 ILE HA H 588 3.484 3.484 3.838 -0.354 25657 2386 1 6 . 1 1 588 588 ILE CA C 588 64.025 64.025 63.943 0.082 25657 2387 1 6 . 1 1 588 588 ILE CB C 588 37.562 37.562 37.683 -0.121 25657 2388 1 6 . 1 1 589 589 SER HA H 589 4.403 4.403 3.947 0.456 25657 2389 1 6 . 1 1 589 589 SER CA C 589 58.477 58.477 59.774 -1.297 25657 2390 1 6 . 1 1 589 589 SER CB C 589 63.314 63.314 63.235 0.079 25657 2391 1 6 . 1 1 590 590 ALA N N 590 121.916 121.916 125.243 -3.327 25657 2392 1 6 . 1 1 590 590 ALA HA H 590 4.329 4.329 4.273 0.056 25657 2393 1 6 . 1 1 590 590 ALA CA C 590 51.871 51.871 53.562 -1.691 25657 2394 1 6 . 1 1 590 590 ALA CB C 590 19.324 19.324 19.424 -0.100 25657 2395 1 6 . 1 1 590 590 ALA H H 590 7.097 7.097 7.362 -0.265 25657 2396 1 6 . 1 1 591 591 ILE N N 591 119.802 119.802 116.615 3.187 25657 2397 1 6 . 1 1 591 591 ILE HA H 591 4.175 4.175 4.187 -0.012 25657 2398 1 6 . 1 1 591 591 ILE CA C 591 61.070 61.070 60.209 0.861 25657 2399 1 6 . 1 1 591 591 ILE CB C 591 38.584 38.584 38.424 0.160 25657 2400 1 6 . 1 1 591 591 ILE H H 591 7.990 7.990 7.453 0.537 25657 2401 1 6 . 1 1 593 593 HIS HA H 593 4.874 4.874 5.027 -0.153 25657 2402 1 6 . 1 1 593 593 HIS CA C 593 53.660 53.660 52.705 0.955 25657 2403 1 6 . 1 1 593 593 HIS CB C 593 30.094 30.094 28.735 1.359 25657 2404 1 6 . 1 1 594 594 PRO HA H 594 4.325 4.325 4.339 -0.014 25657 2405 1 6 . 1 1 594 594 PRO CA C 594 63.355 63.355 63.903 -0.548 25657 2406 1 6 . 1 1 594 594 PRO CB C 594 31.940 31.940 32.273 -0.333 25657 2407 1 6 . 1 1 595 595 MET N N 595 120.044 120.044 112.551 7.493 25657 2408 1 6 . 1 1 595 595 MET H H 595 8.232 8.232 7.983 0.249 25657 2409 1 6 . 1 1 596 596 THR HA H 596 3.558 3.558 4.101 -0.543 25657 2410 1 6 . 1 1 596 596 THR CA C 596 68.481 68.481 66.222 2.259 25657 2411 1 6 . 1 1 596 596 THR CB C 596 68.225 68.225 67.835 0.390 25657 2412 1 6 . 1 1 597 597 SER HA H 597 3.998 3.998 4.081 -0.083 25657 2413 1 6 . 1 1 597 597 SER CA C 597 61.070 61.070 61.852 -0.782 25657 2414 1 6 . 1 1 597 597 SER CB C 597 62.859 62.859 62.818 0.041 25657 2415 1 6 . 1 1 598 598 ALA HA H 598 4.136 4.136 4.129 0.007 25657 2416 1 6 . 1 1 598 598 ALA CA C 598 54.171 54.171 54.886 -0.715 25657 2417 1 6 . 1 1 598 598 ALA CB C 598 18.141 18.141 18.409 -0.268 25657 2418 1 6 . 1 1 599 599 ILE HA H 599 3.456 3.456 3.706 -0.250 25657 2419 1 6 . 1 1 599 599 ILE CA C 599 66.181 66.181 64.438 1.743 25657 2420 1 6 . 1 1 599 599 ILE CB C 599 37.802 37.802 37.829 -0.027 25657 2421 1 6 . 1 1 600 600 GLU HA H 600 3.658 3.658 3.938 -0.280 25657 2422 1 6 . 1 1 600 600 GLU CA C 600 60.048 60.048 60.056 -0.008 25657 2423 1 6 . 1 1 600 600 GLU CB C 600 29.385 29.385 29.616 -0.231 25657 2424 1 6 . 1 1 601 601 VAL HA H 601 3.735 3.735 3.805 -0.070 25657 2425 1 6 . 1 1 601 601 VAL CA C 601 65.926 65.926 65.910 0.016 25657 2426 1 6 . 1 1 601 601 VAL CB C 601 31.684 31.684 31.571 0.113 25657 2427 1 6 . 1 1 603 603 VAL HA H 603 3.734 3.734 3.472 0.262 25657 2428 1 6 . 1 1 603 603 VAL CA C 603 65.415 65.415 66.396 -0.981 25657 2429 1 6 . 1 1 603 603 VAL CB C 603 31.684 31.684 31.270 0.414 25657 2430 1 6 . 1 1 604 604 GLY CA C 604 47.272 47.272 47.474 -0.202 25657 2431 1 6 . 1 1 606 606 CYS HA H 606 4.827 4.827 4.444 0.383 25657 2432 1 6 . 1 1 606 606 CYS CA C 606 54.938 54.938 57.972 -3.034 25657 2433 1 6 . 1 1 606 606 CYS CB C 606 33.218 33.218 24.873 8.345 25657 2434 1 6 . 1 1 607 607 ALA HA H 607 4.652 4.652 4.427 0.225 25657 2435 1 6 . 1 1 607 607 ALA CA C 607 54.682 54.682 51.907 2.775 25657 2436 1 6 . 1 1 607 607 ALA CB C 607 19.419 19.419 19.514 -0.095 25657 2437 1 7 . 1 1 484 484 LYS HA H 484 4.551 4.551 4.596 -0.045 25657 2438 1 7 . 1 1 484 484 LYS CA C 484 55.960 55.960 55.429 0.531 25657 2439 1 7 . 1 1 484 484 LYS CB C 484 32.962 32.962 32.638 0.324 25657 2440 1 7 . 1 1 488 488 ALA HA H 488 3.926 3.926 4.119 -0.193 25657 2441 1 7 . 1 1 488 488 ALA CA C 488 54.682 54.682 54.654 0.028 25657 2442 1 7 . 1 1 488 488 ALA CB C 488 18.652 18.652 18.009 0.643 25657 2443 1 7 . 1 1 489 489 ALA HA H 489 3.910 3.910 4.095 -0.185 25657 2444 1 7 . 1 1 489 489 ALA CA C 489 54.563 54.563 54.886 -0.323 25657 2445 1 7 . 1 1 489 489 ALA CB C 489 18.733 18.733 18.463 0.270 25657 2446 1 7 . 1 1 490 490 ILE HA H 490 4.120 4.120 3.611 0.509 25657 2447 1 7 . 1 1 490 490 ILE CA C 490 61.752 61.752 64.181 -2.429 25657 2448 1 7 . 1 1 490 490 ILE CB C 490 38.584 38.584 37.042 1.542 25657 2449 1 7 . 1 1 493 493 LEU HA H 493 4.293 4.293 4.466 -0.173 25657 2450 1 7 . 1 1 493 493 LEU CA C 493 55.121 55.121 55.389 -0.269 25657 2451 1 7 . 1 1 493 493 LEU CB C 493 42.180 42.180 41.971 0.208 25657 2452 1 7 . 1 1 494 494 GLY CA C 494 47.527 47.527 46.672 0.855 25657 2453 1 7 . 1 1 496 496 ALA HA H 496 4.034 4.034 4.394 -0.360 25657 2454 1 7 . 1 1 496 496 ALA CA C 496 55.704 55.704 54.849 0.855 25657 2455 1 7 . 1 1 496 496 ALA CB C 496 19.830 19.830 19.009 0.821 25657 2456 1 7 . 1 1 497 497 PHE HA H 497 4.621 4.621 4.280 0.341 25657 2457 1 7 . 1 1 497 497 PHE CA C 497 57.493 57.493 55.749 1.744 25657 2458 1 7 . 1 1 497 497 PHE CB C 497 38.584 38.584 37.366 1.218 25657 2459 1 7 . 1 1 498 498 ALA HA H 498 3.822 3.822 3.575 0.247 25657 2460 1 7 . 1 1 498 498 ALA CA C 498 54.735 54.735 53.699 1.036 25657 2461 1 7 . 1 1 498 498 ALA CB C 498 18.397 18.397 18.007 0.390 25657 2462 1 7 . 1 1 500 500 SER N N 500 113.984 113.984 115.924 -1.940 25657 2463 1 7 . 1 1 500 500 SER HA H 500 4.200 4.200 4.090 0.110 25657 2464 1 7 . 1 1 500 500 SER CA C 500 60.559 60.559 60.680 -0.121 25657 2465 1 7 . 1 1 500 500 SER CB C 500 65.159 65.159 62.453 2.706 25657 2466 1 7 . 1 1 500 500 SER H H 500 8.124 8.124 7.446 0.678 25657 2467 1 7 . 1 1 501 501 LYS N N 501 118.485 118.485 119.576 -1.091 25657 2468 1 7 . 1 1 501 501 LYS HA H 501 4.276 4.276 4.121 0.155 25657 2469 1 7 . 1 1 501 501 LYS CA C 501 55.960 55.960 55.795 0.165 25657 2470 1 7 . 1 1 501 501 LYS H H 501 8.419 8.419 7.245 1.174 25657 2471 1 7 . 1 1 502 502 ASN N N 502 115.874 115.874 117.540 -1.666 25657 2472 1 7 . 1 1 502 502 ASN HA H 502 4.275 4.275 4.915 -0.640 25657 2473 1 7 . 1 1 502 502 ASN CA C 502 55.449 55.449 52.138 3.311 25657 2474 1 7 . 1 1 502 502 ASN CB C 502 39.861 39.861 41.463 -1.602 25657 2475 1 7 . 1 1 502 502 ASN H H 502 6.247 6.247 7.649 -1.402 25657 2476 1 7 . 1 1 503 503 ASP N N 503 127.293 127.293 122.792 4.501 25657 2477 1 7 . 1 1 503 503 ASP HA H 503 4.551 4.551 4.305 0.246 25657 2478 1 7 . 1 1 503 503 ASP CA C 503 56.982 56.982 56.484 0.498 25657 2479 1 7 . 1 1 503 503 ASP CB C 503 41.395 41.395 40.493 0.902 25657 2480 1 7 . 1 1 503 503 ASP H H 503 8.734 8.734 8.875 -0.141 25657 2481 1 7 . 1 1 504 504 GLU N N 504 123.432 123.432 120.133 3.299 25657 2482 1 7 . 1 1 504 504 GLU HA H 504 4.094 4.094 4.203 -0.109 25657 2483 1 7 . 1 1 504 504 GLU CA C 504 59.282 59.282 58.675 0.607 25657 2484 1 7 . 1 1 504 504 GLU CB C 504 28.618 28.618 29.912 -1.294 25657 2485 1 7 . 1 1 504 504 GLU H H 504 8.208 8.208 7.962 0.246 25657 2486 1 7 . 1 1 505 505 VAL N N 505 121.171 121.171 120.029 1.142 25657 2487 1 7 . 1 1 505 505 VAL HA H 505 3.284 3.284 3.766 -0.482 25657 2488 1 7 . 1 1 505 505 VAL CA C 505 66.547 66.547 66.559 -0.012 25657 2489 1 7 . 1 1 505 505 VAL CB C 505 30.918 30.918 32.171 -1.253 25657 2490 1 7 . 1 1 505 505 VAL H H 505 8.343 8.343 8.006 0.337 25657 2491 1 7 . 1 1 506 506 LEU N N 506 120.468 120.468 117.588 2.880 25657 2492 1 7 . 1 1 506 506 LEU HA H 506 3.956 3.956 4.301 -0.345 25657 2493 1 7 . 1 1 506 506 LEU CA C 506 58.667 58.667 58.168 0.499 25657 2494 1 7 . 1 1 506 506 LEU CB C 506 41.139 41.139 40.630 0.509 25657 2495 1 7 . 1 1 506 506 LEU H H 506 7.677 7.677 7.582 0.095 25657 2496 1 7 . 1 1 507 507 GLY N N 507 102.846 102.846 107.558 -4.712 25657 2497 1 7 . 1 1 507 507 GLY CA C 507 46.428 46.428 47.017 -0.590 25657 2498 1 7 . 1 1 507 507 GLY H H 507 7.864 7.864 7.648 0.216 25657 2499 1 7 . 1 1 508 508 LEU N N 508 119.101 119.101 121.518 -2.417 25657 2500 1 7 . 1 1 508 508 LEU HA H 508 4.209 4.209 4.410 -0.201 25657 2501 1 7 . 1 1 508 508 LEU CA C 508 56.471 56.471 56.490 -0.020 25657 2502 1 7 . 1 1 508 508 LEU CB C 508 43.362 43.362 42.600 0.762 25657 2503 1 7 . 1 1 508 508 LEU H H 508 7.368 7.368 7.524 -0.156 25657 2504 1 7 . 1 1 509 509 LEU N N 509 112.199 112.199 120.254 -8.055 25657 2505 1 7 . 1 1 509 509 LEU HA H 509 4.387 4.387 4.040 0.347 25657 2506 1 7 . 1 1 509 509 LEU CA C 509 55.073 55.073 58.163 -3.090 25657 2507 1 7 . 1 1 509 509 LEU CB C 509 42.111 42.111 41.847 0.264 25657 2508 1 7 . 1 1 509 509 LEU H H 509 8.043 8.043 8.316 -0.273 25657 2509 1 7 . 1 1 510 510 LEU N N 510 124.597 124.597 121.345 3.252 25657 2510 1 7 . 1 1 510 510 LEU HA H 510 3.986 3.986 4.165 -0.179 25657 2511 1 7 . 1 1 510 510 LEU CA C 510 59.537 59.537 60.782 -1.245 25657 2512 1 7 . 1 1 510 510 LEU CB C 510 38.809 38.809 39.102 -0.293 25657 2513 1 7 . 1 1 510 510 LEU H H 510 9.023 9.023 7.792 1.231 25657 2514 1 7 . 1 1 511 511 PRO HA H 511 4.188 4.188 4.117 0.071 25657 2515 1 7 . 1 1 511 511 PRO CA C 511 65.159 65.159 66.055 -0.896 25657 2516 1 7 . 1 1 511 511 PRO CB C 511 31.173 31.173 31.011 0.162 25657 2517 1 7 . 1 1 512 512 ILE N N 512 116.144 116.144 114.995 1.149 25657 2518 1 7 . 1 1 512 512 ILE HA H 512 3.555 3.555 3.989 -0.434 25657 2519 1 7 . 1 1 512 512 ILE CA C 512 63.626 63.626 63.761 -0.135 25657 2520 1 7 . 1 1 512 512 ILE CB C 512 37.562 37.562 38.121 -0.559 25657 2521 1 7 . 1 1 512 512 ILE H H 512 6.740 6.740 7.477 -0.737 25657 2522 1 7 . 1 1 513 513 ALA N N 513 120.058 120.058 122.251 -2.193 25657 2523 1 7 . 1 1 513 513 ALA HA H 513 4.001 4.001 4.276 -0.275 25657 2524 1 7 . 1 1 513 513 ALA CA C 513 54.684 54.684 53.050 1.634 25657 2525 1 7 . 1 1 513 513 ALA CB C 513 17.961 17.961 18.698 -0.737 25657 2526 1 7 . 1 1 513 513 ALA H H 513 7.742 7.742 8.006 -0.264 25657 2527 1 7 . 1 1 514 514 ALA N N 514 112.305 112.305 119.947 -7.642 25657 2528 1 7 . 1 1 514 514 ALA HA H 514 4.043 4.043 4.370 -0.327 25657 2529 1 7 . 1 1 514 514 ALA CA C 514 51.908 51.908 51.486 0.422 25657 2530 1 7 . 1 1 514 514 ALA CB C 514 19.430 19.430 19.099 0.331 25657 2531 1 7 . 1 1 514 514 ALA H H 514 7.900 7.900 8.178 -0.278 25657 2532 1 7 . 1 1 515 515 SER N N 515 113.093 113.093 112.685 0.408 25657 2533 1 7 . 1 1 515 515 SER HA H 515 4.372 4.372 4.155 0.217 25657 2534 1 7 . 1 1 515 515 SER CA C 515 57.781 57.781 59.376 -1.595 25657 2535 1 7 . 1 1 515 515 SER CB C 515 63.115 63.115 61.152 1.963 25657 2536 1 7 . 1 1 515 515 SER H H 515 7.103 7.103 7.794 -0.691 25657 2537 1 7 . 1 1 516 516 THR N N 516 115.846 115.846 110.841 5.005 25657 2538 1 7 . 1 1 516 516 THR HA H 516 4.187 4.187 4.232 -0.045 25657 2539 1 7 . 1 1 516 516 THR CA C 516 62.093 62.093 63.868 -1.775 25657 2540 1 7 . 1 1 516 516 THR CB C 516 67.714 67.714 69.844 -2.130 25657 2541 1 7 . 1 1 516 516 THR H H 516 8.161 8.161 7.987 0.174 25657 2542 1 7 . 1 1 517 517 ASP N N 517 118.302 118.302 118.891 -0.589 25657 2543 1 7 . 1 1 517 517 ASP HA H 517 4.574 4.574 4.739 -0.165 25657 2544 1 7 . 1 1 517 517 ASP CA C 517 54.171 54.171 54.628 -0.457 25657 2545 1 7 . 1 1 517 517 ASP CB C 517 41.139 41.139 40.720 0.419 25657 2546 1 7 . 1 1 517 517 ASP H H 517 8.295 8.295 8.145 0.150 25657 2547 1 7 . 1 1 518 518 LEU N N 518 121.136 121.136 117.792 3.344 25657 2548 1 7 . 1 1 518 518 LEU HA H 518 4.531 4.531 4.935 -0.404 25657 2549 1 7 . 1 1 518 518 LEU CA C 518 53.050 53.050 52.458 0.592 25657 2550 1 7 . 1 1 518 518 LEU CB C 518 40.884 40.884 42.953 -2.069 25657 2551 1 7 . 1 1 518 518 LEU H H 518 7.150 7.150 7.571 -0.421 25657 2552 1 7 . 1 1 519 519 PRO HA H 519 4.385 4.385 4.449 -0.064 25657 2553 1 7 . 1 1 519 519 PRO CA C 519 63.115 63.115 62.849 0.266 25657 2554 1 7 . 1 1 519 519 PRO CB C 519 32.195 32.195 32.664 -0.469 25657 2555 1 7 . 1 1 520 520 ILE N N 520 121.919 121.919 122.504 -0.585 25657 2556 1 7 . 1 1 520 520 ILE HA H 520 3.760 3.760 3.805 -0.045 25657 2557 1 7 . 1 1 520 520 ILE CA C 520 63.881 63.881 64.521 -0.640 25657 2558 1 7 . 1 1 520 520 ILE CB C 520 37.817 37.817 37.985 -0.168 25657 2559 1 7 . 1 1 520 520 ILE H H 520 8.655 8.655 8.539 0.116 25657 2560 1 7 . 1 1 522 522 THR N N 522 114.698 114.698 109.879 4.819 25657 2561 1 7 . 1 1 522 522 THR HA H 522 3.647 3.647 4.302 -0.655 25657 2562 1 7 . 1 1 522 522 THR CA C 522 65.670 65.670 64.722 0.948 25657 2563 1 7 . 1 1 522 522 THR CB C 522 68.481 68.481 69.331 -0.850 25657 2564 1 7 . 1 1 522 522 THR H H 522 6.636 6.636 7.612 -0.976 25657 2565 1 7 . 1 1 523 523 ALA N N 523 122.860 122.860 124.921 -2.061 25657 2566 1 7 . 1 1 523 523 ALA HA H 523 3.940 3.940 4.066 -0.126 25657 2567 1 7 . 1 1 523 523 ALA CA C 523 55.415 55.415 54.858 0.557 25657 2568 1 7 . 1 1 523 523 ALA CB C 523 18.392 18.392 18.190 0.202 25657 2569 1 7 . 1 1 523 523 ALA H H 523 7.251 7.251 8.116 -0.865 25657 2570 1 7 . 1 1 524 524 ALA N N 524 121.541 121.541 121.109 0.432 25657 2571 1 7 . 1 1 524 524 ALA HA H 524 3.933 3.933 4.003 -0.070 25657 2572 1 7 . 1 1 524 524 ALA CA C 524 55.193 55.193 55.305 -0.112 25657 2573 1 7 . 1 1 524 524 ALA CB C 524 18.652 18.652 18.432 0.220 25657 2574 1 7 . 1 1 524 524 ALA H H 524 9.218 9.218 8.619 0.599 25657 2575 1 7 . 1 1 526 526 ALA HA H 526 3.886 3.886 4.043 -0.157 25657 2576 1 7 . 1 1 526 526 ALA CA C 526 55.544 55.544 55.096 0.448 25657 2577 1 7 . 1 1 526 526 ALA CB C 526 18.113 18.113 17.876 0.237 25657 2578 1 7 . 1 1 527 527 SER HA H 527 3.932 3.932 4.329 -0.397 25657 2579 1 7 . 1 1 527 527 SER CA C 527 60.304 60.304 61.816 -1.512 25657 2580 1 7 . 1 1 527 527 SER CB C 527 62.859 62.859 63.112 -0.253 25657 2581 1 7 . 1 1 528 528 LEU HA H 528 4.030 4.030 3.938 0.092 25657 2582 1 7 . 1 1 528 528 LEU CA C 528 57.252 57.252 58.429 -1.177 25657 2583 1 7 . 1 1 528 528 LEU CB C 528 41.555 41.555 41.827 -0.272 25657 2584 1 7 . 1 1 529 529 ALA HA H 529 4.312 4.312 4.024 0.288 25657 2585 1 7 . 1 1 529 529 ALA CA C 529 52.127 52.127 55.200 -3.073 25657 2586 1 7 . 1 1 529 529 ALA CB C 529 18.908 18.908 18.343 0.565 25657 2587 1 7 . 1 1 530 530 LEU HA H 530 3.931 3.931 4.397 -0.466 25657 2588 1 7 . 1 1 530 530 LEU CA C 530 57.493 57.493 57.034 0.459 25657 2589 1 7 . 1 1 530 530 LEU CB C 530 42.161 42.161 41.949 0.212 25657 2590 1 7 . 1 1 531 531 ALA N N 531 121.603 121.603 121.768 -0.165 25657 2591 1 7 . 1 1 531 531 ALA HA H 531 3.874 3.874 4.222 -0.348 25657 2592 1 7 . 1 1 531 531 ALA CA C 531 55.704 55.704 54.791 0.913 25657 2593 1 7 . 1 1 531 531 ALA CB C 531 19.842 19.842 18.420 1.422 25657 2594 1 7 . 1 1 531 531 ALA H H 531 8.675 8.675 7.774 0.901 25657 2595 1 7 . 1 1 533 533 VAL HA H 533 4.073 4.073 3.999 0.074 25657 2596 1 7 . 1 1 533 533 VAL CA C 533 66.437 66.437 64.746 1.690 25657 2597 1 7 . 1 1 533 533 VAL CB C 533 31.684 31.684 32.642 -0.958 25657 2598 1 7 . 1 1 535 535 VAL N N 535 125.207 125.207 120.463 4.744 25657 2599 1 7 . 1 1 535 535 VAL HA H 535 4.047 4.047 3.755 0.292 25657 2600 1 7 . 1 1 535 535 VAL CA C 535 62.093 62.093 64.728 -2.635 25657 2601 1 7 . 1 1 535 535 VAL CB C 535 30.918 30.918 31.462 -0.544 25657 2602 1 7 . 1 1 535 535 VAL H H 535 6.624 6.624 7.537 -0.913 25657 2603 1 7 . 1 1 536 536 GLY N N 536 116.145 116.145 109.368 6.777 25657 2604 1 7 . 1 1 536 536 GLY CA C 536 45.994 45.994 45.896 0.098 25657 2605 1 7 . 1 1 536 536 GLY H H 536 7.749 7.749 8.473 -0.724 25657 2606 1 7 . 1 1 537 537 THR N N 537 116.707 116.707 111.913 4.794 25657 2607 1 7 . 1 1 537 537 THR HA H 537 4.262 4.262 4.566 -0.304 25657 2608 1 7 . 1 1 537 537 THR CA C 537 62.604 62.604 60.438 2.166 25657 2609 1 7 . 1 1 537 537 THR CB C 537 72.058 72.058 71.000 1.058 25657 2610 1 7 . 1 1 537 537 THR H H 537 7.962 7.962 7.608 0.354 25657 2611 1 7 . 1 1 538 538 CYS N N 538 114.912 114.912 119.658 -4.746 25657 2612 1 7 . 1 1 538 538 CYS HA H 538 4.308 4.308 4.690 -0.382 25657 2613 1 7 . 1 1 538 538 CYS CB C 538 36.284 36.284 29.602 6.682 25657 2614 1 7 . 1 1 538 538 CYS H H 538 8.598 8.598 8.382 0.216 25657 2615 1 7 . 1 1 539 539 ASN N N 539 114.935 114.935 122.835 -7.900 25657 2616 1 7 . 1 1 539 539 ASN HA H 539 4.121 4.121 4.678 -0.557 25657 2617 1 7 . 1 1 539 539 ASN CA C 539 56.215 56.215 53.577 2.638 25657 2618 1 7 . 1 1 539 539 ASN CB C 539 40.628 40.628 40.390 0.238 25657 2619 1 7 . 1 1 539 539 ASN H H 539 6.886 6.886 8.453 -1.567 25657 2620 1 7 . 1 1 540 540 GLY N N 540 120.207 120.207 111.088 9.119 25657 2621 1 7 . 1 1 540 540 GLY CA C 540 47.527 47.527 45.862 1.665 25657 2622 1 7 . 1 1 540 540 GLY H H 540 9.345 9.345 8.620 0.725 25657 2623 1 7 . 1 1 541 541 ASP N N 541 123.940 123.940 122.639 1.301 25657 2624 1 7 . 1 1 541 541 ASP HA H 541 4.442 4.442 4.295 0.147 25657 2625 1 7 . 1 1 541 541 ASP CA C 541 57.493 57.493 56.383 1.110 25657 2626 1 7 . 1 1 541 541 ASP CB C 541 39.861 39.861 40.602 -0.741 25657 2627 1 7 . 1 1 541 541 ASP H H 541 7.768 7.768 8.437 -0.669 25657 2628 1 7 . 1 1 542 542 ILE N N 542 121.748 121.748 118.460 3.288 25657 2629 1 7 . 1 1 542 542 ILE HA H 542 3.423 3.423 3.727 -0.304 25657 2630 1 7 . 1 1 542 542 ILE CA C 542 64.903 64.903 65.014 -0.111 25657 2631 1 7 . 1 1 542 542 ILE CB C 542 37.562 37.562 37.914 -0.352 25657 2632 1 7 . 1 1 542 542 ILE H H 542 8.866 8.866 8.686 0.180 25657 2633 1 7 . 1 1 543 543 THR N N 543 117.103 117.103 116.950 0.153 25657 2634 1 7 . 1 1 543 543 THR HA H 543 3.535 3.535 4.082 -0.547 25657 2635 1 7 . 1 1 543 543 THR CA C 543 68.481 68.481 66.921 1.560 25657 2636 1 7 . 1 1 543 543 THR CB C 543 68.481 68.481 68.623 -0.141 25657 2637 1 7 . 1 1 543 543 THR H H 543 8.047 8.047 8.180 -0.133 25657 2638 1 7 . 1 1 544 544 THR N N 544 117.176 117.176 118.499 -1.323 25657 2639 1 7 . 1 1 544 544 THR HA H 544 3.749 3.749 4.013 -0.264 25657 2640 1 7 . 1 1 544 544 THR CA C 544 66.692 66.692 67.008 -0.316 25657 2641 1 7 . 1 1 544 544 THR CB C 544 68.736 68.736 68.536 0.200 25657 2642 1 7 . 1 1 544 544 THR H H 544 8.240 8.240 8.021 0.219 25657 2643 1 7 . 1 1 545 545 SER N N 545 117.103 117.103 118.515 -1.412 25657 2644 1 7 . 1 1 545 545 SER HA H 545 4.165 4.165 4.260 -0.095 25657 2645 1 7 . 1 1 545 545 SER CA C 545 62.348 62.348 62.089 0.259 25657 2646 1 7 . 1 1 545 545 SER CB C 545 62.348 62.348 62.654 -0.306 25657 2647 1 7 . 1 1 545 545 SER H H 545 7.407 7.407 7.482 -0.075 25657 2648 1 7 . 1 1 546 546 ILE N N 546 122.380 122.380 123.388 -1.008 25657 2649 1 7 . 1 1 546 546 ILE HA H 546 3.463 3.463 3.725 -0.262 25657 2650 1 7 . 1 1 546 546 ILE CA C 546 66.242 66.242 65.580 0.662 25657 2651 1 7 . 1 1 546 546 ILE CB C 546 38.328 38.328 38.208 0.120 25657 2652 1 7 . 1 1 546 546 ILE H H 546 7.830 7.830 8.071 -0.241 25657 2653 1 7 . 1 1 547 547 MET N N 547 117.942 117.942 118.757 -0.815 25657 2654 1 7 . 1 1 547 547 MET HA H 547 4.498 4.498 4.239 0.259 25657 2655 1 7 . 1 1 547 547 MET CA C 547 56.982 56.982 59.775 -2.792 25657 2656 1 7 . 1 1 547 547 MET CB C 547 30.197 30.197 32.310 -2.113 25657 2657 1 7 . 1 1 547 547 MET H H 547 8.524 8.524 8.295 0.229 25657 2658 1 7 . 1 1 548 548 ASP N N 548 119.475 119.475 119.714 -0.239 25657 2659 1 7 . 1 1 548 548 ASP HA H 548 4.497 4.497 4.258 0.239 25657 2660 1 7 . 1 1 548 548 ASP CA C 548 57.493 57.493 58.132 -0.639 25657 2661 1 7 . 1 1 548 548 ASP CB C 548 39.350 39.350 40.445 -1.095 25657 2662 1 7 . 1 1 548 548 ASP H H 548 8.820 8.820 7.661 1.159 25657 2663 1 7 . 1 1 549 549 ASN N N 549 116.905 116.905 117.979 -1.074 25657 2664 1 7 . 1 1 549 549 ASN HA H 549 4.141 4.141 4.435 -0.294 25657 2665 1 7 . 1 1 549 549 ASN CA C 549 57.493 57.493 56.372 1.121 25657 2666 1 7 . 1 1 549 549 ASN CB C 549 41.139 41.139 38.562 2.577 25657 2667 1 7 . 1 1 549 549 ASN H H 549 7.443 7.443 7.818 -0.375 25657 2668 1 7 . 1 1 550 550 PHE N N 550 115.303 115.303 121.287 -5.984 25657 2669 1 7 . 1 1 550 550 PHE HA H 550 4.384 4.384 4.330 0.054 25657 2670 1 7 . 1 1 550 550 PHE CA C 550 60.815 60.815 60.937 -0.122 25657 2671 1 7 . 1 1 550 550 PHE CB C 550 39.409 39.409 38.946 0.463 25657 2672 1 7 . 1 1 550 550 PHE H H 550 7.283 7.283 7.718 -0.435 25657 2673 1 7 . 1 1 551 551 LEU N N 551 117.577 117.577 115.237 2.340 25657 2674 1 7 . 1 1 551 551 LEU HA H 551 4.313 4.313 4.101 0.212 25657 2675 1 7 . 1 1 551 551 LEU CA C 551 56.471 56.471 57.449 -0.978 25657 2676 1 7 . 1 1 551 551 LEU CB C 551 43.183 43.183 41.848 1.335 25657 2677 1 7 . 1 1 551 551 LEU H H 551 8.274 8.274 8.438 -0.164 25657 2678 1 7 . 1 1 552 552 GLU N N 552 115.846 115.846 116.746 -0.900 25657 2679 1 7 . 1 1 552 552 GLU HA H 552 3.942 3.942 4.340 -0.398 25657 2680 1 7 . 1 1 552 552 GLU CA C 552 59.282 59.282 56.947 2.335 25657 2681 1 7 . 1 1 552 552 GLU CB C 552 29.103 29.103 30.418 -1.315 25657 2682 1 7 . 1 1 552 552 GLU H H 552 8.161 8.161 7.461 0.700 25657 2683 1 7 . 1 1 553 553 ARG N N 553 116.743 116.743 120.147 -3.404 25657 2684 1 7 . 1 1 553 553 ARG HA H 553 4.574 4.574 3.914 0.660 25657 2685 1 7 . 1 1 553 553 ARG CA C 553 55.960 55.960 56.280 -0.320 25657 2686 1 7 . 1 1 553 553 ARG CB C 553 30.662 30.662 29.675 0.987 25657 2687 1 7 . 1 1 553 553 ARG H H 553 6.884 6.884 8.398 -1.514 25657 2688 1 7 . 1 1 554 554 THR N N 554 110.707 110.707 114.328 -3.621 25657 2689 1 7 . 1 1 554 554 THR HA H 554 4.389 4.389 4.320 0.069 25657 2690 1 7 . 1 1 554 554 THR CA C 554 61.070 61.070 60.936 0.134 25657 2691 1 7 . 1 1 554 554 THR CB C 554 71.292 71.292 69.826 1.466 25657 2692 1 7 . 1 1 554 554 THR H H 554 8.620 8.620 7.705 0.915 25657 2693 1 7 . 1 1 555 555 ALA N N 555 122.620 122.620 125.147 -2.527 25657 2694 1 7 . 1 1 555 555 ALA HA H 555 4.096 4.096 3.956 0.140 25657 2695 1 7 . 1 1 555 555 ALA CA C 555 55.354 55.354 54.567 0.787 25657 2696 1 7 . 1 1 555 555 ALA CB C 555 18.127 18.127 18.004 0.123 25657 2697 1 7 . 1 1 555 555 ALA H H 555 8.682 8.682 8.692 -0.010 25657 2698 1 7 . 1 1 556 556 ILE N N 556 114.464 114.464 119.399 -4.935 25657 2699 1 7 . 1 1 556 556 ILE HA H 556 3.889 3.889 3.601 0.288 25657 2700 1 7 . 1 1 556 556 ILE CA C 556 63.370 63.370 63.281 0.090 25657 2701 1 7 . 1 1 556 556 ILE CB C 556 38.073 38.073 37.486 0.587 25657 2702 1 7 . 1 1 556 556 ILE H H 556 7.702 7.702 8.097 -0.395 25657 2703 1 7 . 1 1 557 557 GLU N N 557 121.301 121.301 119.827 1.474 25657 2704 1 7 . 1 1 557 557 GLU HA H 557 4.256 4.256 3.477 0.779 25657 2705 1 7 . 1 1 557 557 GLU CA C 557 58.771 58.771 57.925 0.847 25657 2706 1 7 . 1 1 557 557 GLU CB C 557 31.316 31.316 28.729 2.587 25657 2707 1 7 . 1 1 557 557 GLU H H 557 7.545 7.545 7.910 -0.365 25657 2708 1 7 . 1 1 558 558 LEU N N 558 118.899 118.899 115.211 3.688 25657 2709 1 7 . 1 1 558 558 LEU HA H 558 4.062 4.062 4.046 0.016 25657 2710 1 7 . 1 1 558 558 LEU CA C 558 58.004 58.004 56.180 1.824 25657 2711 1 7 . 1 1 558 558 LEU CB C 558 42.417 42.417 41.546 0.871 25657 2712 1 7 . 1 1 558 558 LEU H H 558 7.829 7.829 7.920 -0.091 25657 2713 1 7 . 1 1 562 562 TRP HA H 562 4.366 4.366 4.412 -0.046 25657 2714 1 7 . 1 1 562 562 TRP CA C 562 59.793 59.793 61.407 -1.615 25657 2715 1 7 . 1 1 562 562 TRP CB C 562 28.874 28.874 29.755 -0.881 25657 2716 1 7 . 1 1 563 563 VAL HA H 563 3.659 3.659 3.497 0.162 25657 2717 1 7 . 1 1 563 563 VAL CA C 563 65.926 65.926 65.117 0.809 25657 2718 1 7 . 1 1 563 563 VAL CB C 563 31.429 31.429 31.592 -0.163 25657 2719 1 7 . 1 1 564 564 ARG HA H 564 4.273 4.273 4.046 0.227 25657 2720 1 7 . 1 1 564 564 ARG CA C 564 56.982 56.982 59.760 -2.778 25657 2721 1 7 . 1 1 564 564 ARG CB C 564 30.151 30.151 29.900 0.251 25657 2722 1 7 . 1 1 566 566 LEU HA H 566 4.057 4.057 3.698 0.359 25657 2723 1 7 . 1 1 566 566 LEU CA C 566 57.749 57.749 57.849 -0.100 25657 2724 1 7 . 1 1 566 566 LEU CB C 566 41.139 41.139 41.080 0.059 25657 2725 1 7 . 1 1 567 567 ALA HA H 567 4.004 4.004 3.993 0.011 25657 2726 1 7 . 1 1 567 567 ALA CA C 567 54.427 54.427 55.111 -0.684 25657 2727 1 7 . 1 1 567 567 ALA CB C 567 19.419 19.419 18.158 1.261 25657 2728 1 7 . 1 1 569 569 ALA N N 569 123.940 123.940 122.114 1.826 25657 2729 1 7 . 1 1 569 569 ALA HA H 569 3.741 3.741 3.904 -0.163 25657 2730 1 7 . 1 1 569 569 ALA CB C 569 17.725 17.725 18.253 -0.528 25657 2731 1 7 . 1 1 570 570 LEU N N 570 117.193 117.193 116.266 0.927 25657 2732 1 7 . 1 1 570 570 LEU HA H 570 4.039 4.039 4.124 -0.085 25657 2733 1 7 . 1 1 570 570 LEU CA C 570 57.749 57.749 56.439 1.310 25657 2734 1 7 . 1 1 570 570 LEU CB C 570 41.906 41.906 41.608 0.298 25657 2735 1 7 . 1 1 570 570 LEU H H 570 7.636 7.636 7.844 -0.208 25657 2736 1 7 . 1 1 573 573 LEU N N 573 123.340 123.340 122.273 1.067 25657 2737 1 7 . 1 1 573 573 LEU HA H 573 4.150 4.150 4.159 -0.009 25657 2738 1 7 . 1 1 573 573 LEU CA C 573 57.757 57.757 57.519 0.238 25657 2739 1 7 . 1 1 573 573 LEU CB C 573 42.417 42.417 42.284 0.133 25657 2740 1 7 . 1 1 573 573 LEU H H 573 8.510 8.510 7.890 0.620 25657 2741 1 7 . 1 1 574 574 TYR N N 574 114.647 114.647 114.965 -0.318 25657 2742 1 7 . 1 1 574 574 TYR H H 574 7.510 7.510 7.568 -0.058 25657 2743 1 7 . 1 1 575 575 MET N N 575 123.163 123.163 120.830 2.333 25657 2744 1 7 . 1 1 575 575 MET HA H 575 4.363 4.363 4.332 0.031 25657 2745 1 7 . 1 1 575 575 MET CA C 575 55.449 55.449 56.973 -1.524 25657 2746 1 7 . 1 1 575 575 MET CB C 575 29.385 29.385 33.139 -3.754 25657 2747 1 7 . 1 1 575 575 MET H H 575 7.209 7.209 7.167 0.042 25657 2748 1 7 . 1 1 579 579 GLU N N 579 123.708 123.708 121.443 2.265 25657 2749 1 7 . 1 1 579 579 GLU HA H 579 4.402 4.402 3.906 0.496 25657 2750 1 7 . 1 1 579 579 GLU CA C 579 57.749 57.749 58.538 -0.789 25657 2751 1 7 . 1 1 579 579 GLU CB C 579 29.193 29.193 29.395 -0.202 25657 2752 1 7 . 1 1 579 579 GLU H H 579 8.893 8.893 8.810 0.083 25657 2753 1 7 . 1 1 580 580 GLN N N 580 119.901 119.901 118.692 1.209 25657 2754 1 7 . 1 1 580 580 GLN HA H 580 4.231 4.231 4.246 -0.015 25657 2755 1 7 . 1 1 580 580 GLN CA C 580 58.200 58.200 58.965 -0.765 25657 2756 1 7 . 1 1 580 580 GLN CB C 580 29.385 29.385 28.035 1.350 25657 2757 1 7 . 1 1 580 580 GLN H H 580 7.768 7.768 8.386 -0.618 25657 2758 1 7 . 1 1 581 581 VAL N N 581 118.005 118.005 119.640 -1.635 25657 2759 1 7 . 1 1 581 581 VAL HA H 581 3.786 3.786 3.747 0.039 25657 2760 1 7 . 1 1 581 581 VAL CA C 581 61.326 61.326 66.881 -5.555 25657 2761 1 7 . 1 1 581 581 VAL CB C 581 34.495 34.495 31.495 3.000 25657 2762 1 7 . 1 1 581 581 VAL H H 581 8.874 8.874 8.602 0.272 25657 2763 1 7 . 1 1 582 582 ASP N N 582 123.700 123.700 120.296 3.404 25657 2764 1 7 . 1 1 582 582 ASP HA H 582 4.161 4.161 4.185 -0.024 25657 2765 1 7 . 1 1 582 582 ASP CA C 582 58.260 58.260 57.335 0.925 25657 2766 1 7 . 1 1 582 582 ASP CB C 582 39.355 39.355 39.693 -0.338 25657 2767 1 7 . 1 1 582 582 ASP H H 582 7.604 7.604 7.839 -0.235 25657 2768 1 7 . 1 1 583 583 ASP N N 583 119.292 119.292 120.263 -0.971 25657 2769 1 7 . 1 1 583 583 ASP HA H 583 4.546 4.546 4.420 0.126 25657 2770 1 7 . 1 1 583 583 ASP CA C 583 54.938 54.938 57.072 -2.134 25657 2771 1 7 . 1 1 583 583 ASP CB C 583 40.628 40.628 40.383 0.244 25657 2772 1 7 . 1 1 583 583 ASP H H 583 8.376 8.376 7.798 0.578 25657 2773 1 7 . 1 1 584 584 VAL N N 584 121.900 121.900 120.457 1.443 25657 2774 1 7 . 1 1 584 584 VAL HA H 584 3.727 3.727 3.630 0.097 25657 2775 1 7 . 1 1 584 584 VAL CA C 584 65.159 65.159 66.359 -1.200 25657 2776 1 7 . 1 1 584 584 VAL CB C 584 31.429 31.429 31.440 -0.011 25657 2777 1 7 . 1 1 584 584 VAL H H 584 7.732 7.732 7.514 0.218 25657 2778 1 7 . 1 1 585 585 LEU N N 585 119.481 119.481 120.068 -0.587 25657 2779 1 7 . 1 1 585 585 LEU HA H 585 3.879 3.879 3.704 0.175 25657 2780 1 7 . 1 1 585 585 LEU CA C 585 57.493 57.493 58.539 -1.046 25657 2781 1 7 . 1 1 585 585 LEU CB C 585 40.628 40.628 41.095 -0.467 25657 2782 1 7 . 1 1 585 585 LEU H H 585 8.018 8.018 8.447 -0.429 25657 2783 1 7 . 1 1 586 586 GLU N N 586 118.081 118.081 118.990 -0.909 25657 2784 1 7 . 1 1 586 586 GLU HA H 586 4.283 4.283 3.807 0.476 25657 2785 1 7 . 1 1 586 586 GLU CA C 586 55.704 55.704 59.798 -4.094 25657 2786 1 7 . 1 1 586 586 GLU CB C 586 29.129 29.129 29.398 -0.269 25657 2787 1 7 . 1 1 586 586 GLU H H 586 7.729 7.729 8.106 -0.377 25657 2788 1 7 . 1 1 587 587 THR HA H 587 3.882 3.882 3.907 -0.025 25657 2789 1 7 . 1 1 587 587 THR CA C 587 66.400 66.400 66.776 -0.376 25657 2790 1 7 . 1 1 587 587 THR CB C 587 68.288 68.288 68.619 -0.331 25657 2791 1 7 . 1 1 588 588 ILE HA H 588 3.484 3.484 3.555 -0.071 25657 2792 1 7 . 1 1 588 588 ILE CA C 588 64.025 64.025 64.655 -0.630 25657 2793 1 7 . 1 1 588 588 ILE CB C 588 37.562 37.562 37.541 0.021 25657 2794 1 7 . 1 1 589 589 SER HA H 589 4.403 4.403 4.334 0.069 25657 2795 1 7 . 1 1 589 589 SER CA C 589 58.477 58.477 60.417 -1.940 25657 2796 1 7 . 1 1 589 589 SER CB C 589 63.314 63.314 63.849 -0.535 25657 2797 1 7 . 1 1 590 590 ALA N N 590 121.916 121.916 124.187 -2.271 25657 2798 1 7 . 1 1 590 590 ALA HA H 590 4.329 4.329 4.270 0.059 25657 2799 1 7 . 1 1 590 590 ALA CA C 590 51.871 51.871 53.566 -1.695 25657 2800 1 7 . 1 1 590 590 ALA CB C 590 19.324 19.324 19.410 -0.086 25657 2801 1 7 . 1 1 590 590 ALA H H 590 7.097 7.097 7.785 -0.688 25657 2802 1 7 . 1 1 591 591 ILE N N 591 119.802 119.802 116.148 3.654 25657 2803 1 7 . 1 1 591 591 ILE HA H 591 4.175 4.175 4.159 0.016 25657 2804 1 7 . 1 1 591 591 ILE CA C 591 61.070 61.070 60.695 0.375 25657 2805 1 7 . 1 1 591 591 ILE CB C 591 38.584 38.584 38.383 0.201 25657 2806 1 7 . 1 1 591 591 ILE H H 591 7.990 7.990 7.411 0.579 25657 2807 1 7 . 1 1 593 593 HIS HA H 593 4.874 4.874 4.855 0.019 25657 2808 1 7 . 1 1 593 593 HIS CA C 593 53.660 53.660 52.974 0.686 25657 2809 1 7 . 1 1 593 593 HIS CB C 593 30.094 30.094 29.460 0.634 25657 2810 1 7 . 1 1 594 594 PRO HA H 594 4.325 4.325 4.422 -0.097 25657 2811 1 7 . 1 1 594 594 PRO CA C 594 63.355 63.355 64.083 -0.728 25657 2812 1 7 . 1 1 594 594 PRO CB C 594 31.940 31.940 32.384 -0.444 25657 2813 1 7 . 1 1 595 595 MET N N 595 120.044 120.044 119.514 0.530 25657 2814 1 7 . 1 1 595 595 MET H H 595 8.232 8.232 8.026 0.206 25657 2815 1 7 . 1 1 596 596 THR HA H 596 3.558 3.558 4.050 -0.492 25657 2816 1 7 . 1 1 596 596 THR CA C 596 68.481 68.481 65.996 2.485 25657 2817 1 7 . 1 1 596 596 THR CB C 596 68.225 68.225 68.373 -0.148 25657 2818 1 7 . 1 1 597 597 SER HA H 597 3.998 3.998 3.940 0.058 25657 2819 1 7 . 1 1 597 597 SER CA C 597 61.070 61.070 61.701 -0.631 25657 2820 1 7 . 1 1 597 597 SER CB C 597 62.859 62.859 62.693 0.166 25657 2821 1 7 . 1 1 598 598 ALA HA H 598 4.136 4.136 4.127 0.009 25657 2822 1 7 . 1 1 598 598 ALA CA C 598 54.171 54.171 54.947 -0.776 25657 2823 1 7 . 1 1 598 598 ALA CB C 598 18.141 18.141 18.410 -0.269 25657 2824 1 7 . 1 1 599 599 ILE HA H 599 3.456 3.456 3.801 -0.345 25657 2825 1 7 . 1 1 599 599 ILE CA C 599 66.181 66.181 64.462 1.719 25657 2826 1 7 . 1 1 599 599 ILE CB C 599 37.802 37.802 37.740 0.061 25657 2827 1 7 . 1 1 600 600 GLU HA H 600 3.658 3.658 4.032 -0.374 25657 2828 1 7 . 1 1 600 600 GLU CA C 600 60.048 60.048 59.744 0.304 25657 2829 1 7 . 1 1 600 600 GLU CB C 600 29.385 29.385 29.740 -0.355 25657 2830 1 7 . 1 1 601 601 VAL HA H 601 3.735 3.735 3.780 -0.045 25657 2831 1 7 . 1 1 601 601 VAL CA C 601 65.926 65.926 65.321 0.605 25657 2832 1 7 . 1 1 601 601 VAL CB C 601 31.684 31.684 31.606 0.078 25657 2833 1 7 . 1 1 603 603 VAL HA H 603 3.734 3.734 3.766 -0.032 25657 2834 1 7 . 1 1 603 603 VAL CA C 603 65.415 65.415 65.047 0.368 25657 2835 1 7 . 1 1 603 603 VAL CB C 603 31.684 31.684 31.016 0.668 25657 2836 1 7 . 1 1 604 604 GLY CA C 604 47.272 47.272 46.343 0.929 25657 2837 1 7 . 1 1 606 606 CYS HA H 606 4.827 4.827 4.312 0.515 25657 2838 1 7 . 1 1 606 606 CYS CA C 606 54.938 54.938 58.024 -3.086 25657 2839 1 7 . 1 1 606 606 CYS CB C 606 33.218 33.218 25.922 7.296 25657 2840 1 7 . 1 1 607 607 ALA HA H 607 4.652 4.652 4.477 0.175 25657 2841 1 7 . 1 1 607 607 ALA CA C 607 54.682 54.682 52.114 2.568 25657 2842 1 7 . 1 1 607 607 ALA CB C 607 19.419 19.419 19.674 -0.254 25657 2843 1 8 . 1 1 484 484 LYS HA H 484 4.551 4.551 4.426 0.125 25657 2844 1 8 . 1 1 484 484 LYS CA C 484 55.960 55.960 56.333 -0.373 25657 2845 1 8 . 1 1 484 484 LYS CB C 484 32.962 32.962 32.508 0.455 25657 2846 1 8 . 1 1 488 488 ALA HA H 488 3.926 3.926 3.992 -0.066 25657 2847 1 8 . 1 1 488 488 ALA CA C 488 54.682 54.682 54.606 0.076 25657 2848 1 8 . 1 1 488 488 ALA CB C 488 18.652 18.652 18.050 0.602 25657 2849 1 8 . 1 1 489 489 ALA HA H 489 3.910 3.910 4.097 -0.187 25657 2850 1 8 . 1 1 489 489 ALA CA C 489 54.563 54.563 54.920 -0.357 25657 2851 1 8 . 1 1 489 489 ALA CB C 489 18.733 18.733 18.300 0.433 25657 2852 1 8 . 1 1 490 490 ILE HA H 490 4.120 4.120 3.748 0.372 25657 2853 1 8 . 1 1 490 490 ILE CA C 490 61.752 61.752 62.965 -1.213 25657 2854 1 8 . 1 1 490 490 ILE CB C 490 38.584 38.584 36.403 2.181 25657 2855 1 8 . 1 1 493 493 LEU HA H 493 4.293 4.293 3.846 0.447 25657 2856 1 8 . 1 1 493 493 LEU CA C 493 55.121 55.121 57.743 -2.622 25657 2857 1 8 . 1 1 493 493 LEU CB C 493 42.180 42.180 41.634 0.546 25657 2858 1 8 . 1 1 494 494 GLY CA C 494 47.527 47.527 46.799 0.728 25657 2859 1 8 . 1 1 496 496 ALA HA H 496 4.034 4.034 4.093 -0.059 25657 2860 1 8 . 1 1 496 496 ALA CA C 496 55.704 55.704 54.387 1.317 25657 2861 1 8 . 1 1 496 496 ALA CB C 496 19.830 19.830 18.850 0.980 25657 2862 1 8 . 1 1 497 497 PHE HA H 497 4.621 4.621 4.080 0.541 25657 2863 1 8 . 1 1 497 497 PHE CA C 497 57.493 57.493 58.280 -0.787 25657 2864 1 8 . 1 1 497 497 PHE CB C 497 38.584 38.584 37.114 1.470 25657 2865 1 8 . 1 1 498 498 ALA HA H 498 3.822 3.822 4.029 -0.207 25657 2866 1 8 . 1 1 498 498 ALA CA C 498 54.735 54.735 52.979 1.756 25657 2867 1 8 . 1 1 498 498 ALA CB C 498 18.397 18.397 18.094 0.303 25657 2868 1 8 . 1 1 500 500 SER N N 500 113.984 113.984 113.733 0.251 25657 2869 1 8 . 1 1 500 500 SER HA H 500 4.200 4.200 4.430 -0.230 25657 2870 1 8 . 1 1 500 500 SER CA C 500 60.559 60.559 58.820 1.739 25657 2871 1 8 . 1 1 500 500 SER CB C 500 65.159 65.159 63.803 1.356 25657 2872 1 8 . 1 1 500 500 SER H H 500 8.124 8.124 7.741 0.383 25657 2873 1 8 . 1 1 501 501 LYS N N 501 118.485 118.485 120.514 -2.029 25657 2874 1 8 . 1 1 501 501 LYS HA H 501 4.276 4.276 4.494 -0.218 25657 2875 1 8 . 1 1 501 501 LYS CA C 501 55.960 55.960 56.142 -0.182 25657 2876 1 8 . 1 1 501 501 LYS H H 501 8.419 8.419 8.343 0.076 25657 2877 1 8 . 1 1 502 502 ASN N N 502 115.874 115.874 115.375 0.499 25657 2878 1 8 . 1 1 502 502 ASN HA H 502 4.275 4.275 4.593 -0.318 25657 2879 1 8 . 1 1 502 502 ASN CA C 502 55.449 55.449 54.019 1.430 25657 2880 1 8 . 1 1 502 502 ASN CB C 502 39.861 39.861 36.858 3.002 25657 2881 1 8 . 1 1 502 502 ASN H H 502 6.247 6.247 8.498 -2.251 25657 2882 1 8 . 1 1 503 503 ASP N N 503 127.293 127.293 119.585 7.708 25657 2883 1 8 . 1 1 503 503 ASP HA H 503 4.551 4.551 4.698 -0.147 25657 2884 1 8 . 1 1 503 503 ASP CA C 503 56.982 56.982 57.267 -0.285 25657 2885 1 8 . 1 1 503 503 ASP CB C 503 41.395 41.395 40.698 0.697 25657 2886 1 8 . 1 1 503 503 ASP H H 503 8.734 8.734 8.399 0.335 25657 2887 1 8 . 1 1 504 504 GLU N N 504 123.432 123.432 120.606 2.826 25657 2888 1 8 . 1 1 504 504 GLU HA H 504 4.094 4.094 4.057 0.037 25657 2889 1 8 . 1 1 504 504 GLU CA C 504 59.282 59.282 59.432 -0.150 25657 2890 1 8 . 1 1 504 504 GLU CB C 504 28.618 28.618 29.298 -0.680 25657 2891 1 8 . 1 1 504 504 GLU H H 504 8.208 8.208 8.521 -0.313 25657 2892 1 8 . 1 1 505 505 VAL N N 505 121.171 121.171 119.623 1.548 25657 2893 1 8 . 1 1 505 505 VAL HA H 505 3.284 3.284 3.567 -0.283 25657 2894 1 8 . 1 1 505 505 VAL CA C 505 66.547 66.547 65.599 0.948 25657 2895 1 8 . 1 1 505 505 VAL CB C 505 30.918 30.918 31.460 -0.542 25657 2896 1 8 . 1 1 505 505 VAL H H 505 8.343 8.343 7.654 0.689 25657 2897 1 8 . 1 1 506 506 LEU N N 506 120.468 120.468 118.996 1.472 25657 2898 1 8 . 1 1 506 506 LEU HA H 506 3.956 3.956 3.980 -0.024 25657 2899 1 8 . 1 1 506 506 LEU CA C 506 58.667 58.667 57.707 0.960 25657 2900 1 8 . 1 1 506 506 LEU CB C 506 41.139 41.139 41.615 -0.476 25657 2901 1 8 . 1 1 506 506 LEU H H 506 7.677 7.677 7.633 0.044 25657 2902 1 8 . 1 1 507 507 GLY N N 507 102.846 102.846 106.941 -4.095 25657 2903 1 8 . 1 1 507 507 GLY CA C 507 46.428 46.428 47.067 -0.639 25657 2904 1 8 . 1 1 507 507 GLY H H 507 7.864 7.864 7.922 -0.058 25657 2905 1 8 . 1 1 508 508 LEU N N 508 119.101 119.101 121.679 -2.578 25657 2906 1 8 . 1 1 508 508 LEU HA H 508 4.209 4.209 4.452 -0.243 25657 2907 1 8 . 1 1 508 508 LEU CA C 508 56.471 56.471 56.479 -0.008 25657 2908 1 8 . 1 1 508 508 LEU CB C 508 43.362 43.362 42.242 1.120 25657 2909 1 8 . 1 1 508 508 LEU H H 508 7.368 7.368 7.327 0.041 25657 2910 1 8 . 1 1 509 509 LEU N N 509 112.199 112.199 119.547 -7.348 25657 2911 1 8 . 1 1 509 509 LEU HA H 509 4.387 4.387 3.906 0.481 25657 2912 1 8 . 1 1 509 509 LEU CA C 509 55.073 55.073 58.239 -3.166 25657 2913 1 8 . 1 1 509 509 LEU CB C 509 42.111 42.111 41.561 0.550 25657 2914 1 8 . 1 1 509 509 LEU H H 509 8.043 8.043 8.360 -0.317 25657 2915 1 8 . 1 1 510 510 LEU N N 510 124.597 124.597 120.384 4.213 25657 2916 1 8 . 1 1 510 510 LEU HA H 510 3.986 3.986 4.078 -0.092 25657 2917 1 8 . 1 1 510 510 LEU CA C 510 59.537 59.537 60.173 -0.636 25657 2918 1 8 . 1 1 510 510 LEU CB C 510 38.809 38.809 39.102 -0.294 25657 2919 1 8 . 1 1 510 510 LEU H H 510 9.023 9.023 7.465 1.558 25657 2920 1 8 . 1 1 511 511 PRO HA H 511 4.188 4.188 4.108 0.080 25657 2921 1 8 . 1 1 511 511 PRO CA C 511 65.159 65.159 66.065 -0.906 25657 2922 1 8 . 1 1 511 511 PRO CB C 511 31.173 31.173 31.157 0.017 25657 2923 1 8 . 1 1 512 512 ILE N N 512 116.144 116.144 115.395 0.749 25657 2924 1 8 . 1 1 512 512 ILE HA H 512 3.555 3.555 4.000 -0.445 25657 2925 1 8 . 1 1 512 512 ILE CA C 512 63.626 63.626 63.414 0.212 25657 2926 1 8 . 1 1 512 512 ILE CB C 512 37.562 37.562 37.836 -0.274 25657 2927 1 8 . 1 1 512 512 ILE H H 512 6.740 6.740 7.489 -0.749 25657 2928 1 8 . 1 1 513 513 ALA N N 513 120.058 120.058 122.287 -2.229 25657 2929 1 8 . 1 1 513 513 ALA HA H 513 4.001 4.001 4.207 -0.206 25657 2930 1 8 . 1 1 513 513 ALA CA C 513 54.684 54.684 53.171 1.513 25657 2931 1 8 . 1 1 513 513 ALA CB C 513 17.961 17.961 18.453 -0.492 25657 2932 1 8 . 1 1 513 513 ALA H H 513 7.742 7.742 8.104 -0.362 25657 2933 1 8 . 1 1 514 514 ALA N N 514 112.305 112.305 119.693 -7.388 25657 2934 1 8 . 1 1 514 514 ALA HA H 514 4.043 4.043 4.213 -0.170 25657 2935 1 8 . 1 1 514 514 ALA CA C 514 51.908 51.908 51.354 0.554 25657 2936 1 8 . 1 1 514 514 ALA CB C 514 19.430 19.430 18.462 0.968 25657 2937 1 8 . 1 1 514 514 ALA H H 514 7.900 7.900 7.837 0.063 25657 2938 1 8 . 1 1 515 515 SER N N 515 113.093 113.093 113.184 -0.091 25657 2939 1 8 . 1 1 515 515 SER HA H 515 4.372 4.372 4.109 0.263 25657 2940 1 8 . 1 1 515 515 SER CA C 515 57.781 57.781 59.080 -1.299 25657 2941 1 8 . 1 1 515 515 SER CB C 515 63.115 63.115 62.187 0.928 25657 2942 1 8 . 1 1 515 515 SER H H 515 7.103 7.103 7.672 -0.569 25657 2943 1 8 . 1 1 516 516 THR N N 516 115.846 115.846 111.519 4.327 25657 2944 1 8 . 1 1 516 516 THR HA H 516 4.187 4.187 4.273 -0.086 25657 2945 1 8 . 1 1 516 516 THR CA C 516 62.093 62.093 63.514 -1.421 25657 2946 1 8 . 1 1 516 516 THR CB C 516 67.714 67.714 69.779 -2.066 25657 2947 1 8 . 1 1 516 516 THR H H 516 8.161 8.161 8.282 -0.121 25657 2948 1 8 . 1 1 517 517 ASP N N 517 118.302 118.302 118.640 -0.338 25657 2949 1 8 . 1 1 517 517 ASP HA H 517 4.574 4.574 4.655 -0.081 25657 2950 1 8 . 1 1 517 517 ASP CA C 517 54.171 54.171 54.627 -0.456 25657 2951 1 8 . 1 1 517 517 ASP CB C 517 41.139 41.139 41.111 0.028 25657 2952 1 8 . 1 1 517 517 ASP H H 517 8.295 8.295 8.332 -0.037 25657 2953 1 8 . 1 1 518 518 LEU N N 518 121.136 121.136 117.384 3.752 25657 2954 1 8 . 1 1 518 518 LEU HA H 518 4.531 4.531 4.947 -0.416 25657 2955 1 8 . 1 1 518 518 LEU CA C 518 53.050 53.050 51.202 1.848 25657 2956 1 8 . 1 1 518 518 LEU CB C 518 40.884 40.884 43.245 -2.361 25657 2957 1 8 . 1 1 518 518 LEU H H 518 7.150 7.150 7.369 -0.219 25657 2958 1 8 . 1 1 519 519 PRO HA H 519 4.385 4.385 4.241 0.144 25657 2959 1 8 . 1 1 519 519 PRO CA C 519 63.115 63.115 62.782 0.333 25657 2960 1 8 . 1 1 519 519 PRO CB C 519 32.195 32.195 32.280 -0.085 25657 2961 1 8 . 1 1 520 520 ILE N N 520 121.919 121.919 116.632 5.287 25657 2962 1 8 . 1 1 520 520 ILE HA H 520 3.760 3.760 4.090 -0.330 25657 2963 1 8 . 1 1 520 520 ILE CA C 520 63.881 63.881 63.224 0.658 25657 2964 1 8 . 1 1 520 520 ILE CB C 520 37.817 37.817 37.810 0.007 25657 2965 1 8 . 1 1 520 520 ILE H H 520 8.655 8.655 8.185 0.470 25657 2966 1 8 . 1 1 522 522 THR N N 522 114.698 114.698 111.227 3.471 25657 2967 1 8 . 1 1 522 522 THR HA H 522 3.647 3.647 3.994 -0.347 25657 2968 1 8 . 1 1 522 522 THR CA C 522 65.670 65.670 65.519 0.151 25657 2969 1 8 . 1 1 522 522 THR CB C 522 68.481 68.481 67.887 0.594 25657 2970 1 8 . 1 1 522 522 THR H H 522 6.636 6.636 7.981 -1.345 25657 2971 1 8 . 1 1 523 523 ALA N N 523 122.860 122.860 123.599 -0.739 25657 2972 1 8 . 1 1 523 523 ALA HA H 523 3.940 3.940 3.922 0.018 25657 2973 1 8 . 1 1 523 523 ALA CA C 523 55.415 55.415 54.802 0.613 25657 2974 1 8 . 1 1 523 523 ALA CB C 523 18.392 18.392 18.117 0.275 25657 2975 1 8 . 1 1 523 523 ALA H H 523 7.251 7.251 7.308 -0.057 25657 2976 1 8 . 1 1 524 524 ALA N N 524 121.541 121.541 122.090 -0.549 25657 2977 1 8 . 1 1 524 524 ALA HA H 524 3.933 3.933 3.854 0.079 25657 2978 1 8 . 1 1 524 524 ALA CA C 524 55.193 55.193 55.372 -0.179 25657 2979 1 8 . 1 1 524 524 ALA CB C 524 18.652 18.652 18.377 0.276 25657 2980 1 8 . 1 1 524 524 ALA H H 524 9.218 9.218 8.443 0.775 25657 2981 1 8 . 1 1 526 526 ALA HA H 526 3.886 3.886 4.099 -0.213 25657 2982 1 8 . 1 1 526 526 ALA CA C 526 55.544 55.544 55.292 0.252 25657 2983 1 8 . 1 1 526 526 ALA CB C 526 18.113 18.113 17.895 0.218 25657 2984 1 8 . 1 1 527 527 SER HA H 527 3.932 3.932 4.108 -0.176 25657 2985 1 8 . 1 1 527 527 SER CA C 527 60.304 60.304 62.936 -2.632 25657 2986 1 8 . 1 1 527 527 SER CB C 527 62.859 62.859 62.996 -0.137 25657 2987 1 8 . 1 1 528 528 LEU HA H 528 4.030 4.030 4.001 0.029 25657 2988 1 8 . 1 1 528 528 LEU CA C 528 57.252 57.252 58.111 -0.859 25657 2989 1 8 . 1 1 528 528 LEU CB C 528 41.555 41.555 41.741 -0.186 25657 2990 1 8 . 1 1 529 529 ALA HA H 529 4.312 4.312 4.007 0.305 25657 2991 1 8 . 1 1 529 529 ALA CA C 529 52.127 52.127 55.162 -3.035 25657 2992 1 8 . 1 1 529 529 ALA CB C 529 18.908 18.908 18.490 0.418 25657 2993 1 8 . 1 1 530 530 LEU HA H 530 3.931 3.931 4.099 -0.168 25657 2994 1 8 . 1 1 530 530 LEU CA C 530 57.493 57.493 58.160 -0.667 25657 2995 1 8 . 1 1 530 530 LEU CB C 530 42.161 42.161 41.635 0.526 25657 2996 1 8 . 1 1 531 531 ALA N N 531 121.603 121.603 120.554 1.049 25657 2997 1 8 . 1 1 531 531 ALA HA H 531 3.874 3.874 3.938 -0.064 25657 2998 1 8 . 1 1 531 531 ALA CA C 531 55.704 55.704 55.308 0.396 25657 2999 1 8 . 1 1 531 531 ALA CB C 531 19.842 19.842 18.053 1.789 25657 3000 1 8 . 1 1 531 531 ALA H H 531 8.675 8.675 7.868 0.807 25657 3001 1 8 . 1 1 533 533 VAL HA H 533 4.073 4.073 3.954 0.119 25657 3002 1 8 . 1 1 533 533 VAL CA C 533 66.437 66.437 65.404 1.033 25657 3003 1 8 . 1 1 533 533 VAL CB C 533 31.684 31.684 32.516 -0.832 25657 3004 1 8 . 1 1 535 535 VAL N N 535 125.207 125.207 119.443 5.764 25657 3005 1 8 . 1 1 535 535 VAL HA H 535 4.047 4.047 3.773 0.274 25657 3006 1 8 . 1 1 535 535 VAL CA C 535 62.093 62.093 63.976 -1.883 25657 3007 1 8 . 1 1 535 535 VAL CB C 535 30.918 30.918 31.767 -0.849 25657 3008 1 8 . 1 1 535 535 VAL H H 535 6.624 6.624 7.444 -0.820 25657 3009 1 8 . 1 1 536 536 GLY N N 536 116.145 116.145 106.626 9.519 25657 3010 1 8 . 1 1 536 536 GLY CA C 536 45.994 45.994 45.243 0.751 25657 3011 1 8 . 1 1 536 536 GLY H H 536 7.749 7.749 8.167 -0.418 25657 3012 1 8 . 1 1 537 537 THR N N 537 116.707 116.707 113.832 2.875 25657 3013 1 8 . 1 1 537 537 THR HA H 537 4.262 4.262 4.540 -0.278 25657 3014 1 8 . 1 1 537 537 THR CA C 537 62.604 62.604 61.368 1.236 25657 3015 1 8 . 1 1 537 537 THR CB C 537 72.058 72.058 70.486 1.572 25657 3016 1 8 . 1 1 537 537 THR H H 537 7.962 7.962 7.866 0.096 25657 3017 1 8 . 1 1 538 538 CYS N N 538 114.912 114.912 118.628 -3.716 25657 3018 1 8 . 1 1 538 538 CYS HA H 538 4.308 4.308 4.845 -0.537 25657 3019 1 8 . 1 1 538 538 CYS CB C 538 36.284 36.284 30.067 6.217 25657 3020 1 8 . 1 1 538 538 CYS H H 538 8.598 8.598 8.447 0.151 25657 3021 1 8 . 1 1 539 539 ASN N N 539 114.935 114.935 118.625 -3.690 25657 3022 1 8 . 1 1 539 539 ASN HA H 539 4.121 4.121 4.815 -0.694 25657 3023 1 8 . 1 1 539 539 ASN CA C 539 56.215 56.215 53.703 2.512 25657 3024 1 8 . 1 1 539 539 ASN CB C 539 40.628 40.628 41.081 -0.453 25657 3025 1 8 . 1 1 539 539 ASN H H 539 6.886 6.886 8.406 -1.520 25657 3026 1 8 . 1 1 540 540 GLY N N 540 120.207 120.207 110.016 10.191 25657 3027 1 8 . 1 1 540 540 GLY CA C 540 47.527 47.527 46.064 1.463 25657 3028 1 8 . 1 1 540 540 GLY H H 540 9.345 9.345 8.576 0.769 25657 3029 1 8 . 1 1 541 541 ASP N N 541 123.940 123.940 121.617 2.323 25657 3030 1 8 . 1 1 541 541 ASP HA H 541 4.442 4.442 4.308 0.134 25657 3031 1 8 . 1 1 541 541 ASP CA C 541 57.493 57.493 56.407 1.086 25657 3032 1 8 . 1 1 541 541 ASP CB C 541 39.861 39.861 40.047 -0.186 25657 3033 1 8 . 1 1 541 541 ASP H H 541 7.768 7.768 8.846 -1.078 25657 3034 1 8 . 1 1 542 542 ILE N N 542 121.748 121.748 119.165 2.583 25657 3035 1 8 . 1 1 542 542 ILE HA H 542 3.423 3.423 3.643 -0.220 25657 3036 1 8 . 1 1 542 542 ILE CA C 542 64.903 64.903 64.771 0.132 25657 3037 1 8 . 1 1 542 542 ILE CB C 542 37.562 37.562 37.750 -0.188 25657 3038 1 8 . 1 1 542 542 ILE H H 542 8.866 8.866 7.257 1.609 25657 3039 1 8 . 1 1 543 543 THR N N 543 117.103 117.103 115.908 1.195 25657 3040 1 8 . 1 1 543 543 THR HA H 543 3.535 3.535 4.100 -0.565 25657 3041 1 8 . 1 1 543 543 THR CA C 543 68.481 68.481 66.637 1.844 25657 3042 1 8 . 1 1 543 543 THR CB C 543 68.481 68.481 68.350 0.131 25657 3043 1 8 . 1 1 543 543 THR H H 543 8.047 8.047 8.005 0.042 25657 3044 1 8 . 1 1 544 544 THR N N 544 117.176 117.176 119.176 -2.000 25657 3045 1 8 . 1 1 544 544 THR HA H 544 3.749 3.749 3.935 -0.186 25657 3046 1 8 . 1 1 544 544 THR CA C 544 66.692 66.692 67.309 -0.617 25657 3047 1 8 . 1 1 544 544 THR CB C 544 68.736 68.736 68.270 0.466 25657 3048 1 8 . 1 1 544 544 THR H H 544 8.240 8.240 7.905 0.335 25657 3049 1 8 . 1 1 545 545 SER N N 545 117.103 117.103 117.699 -0.596 25657 3050 1 8 . 1 1 545 545 SER HA H 545 4.165 4.165 4.146 0.019 25657 3051 1 8 . 1 1 545 545 SER CA C 545 62.348 62.348 61.880 0.468 25657 3052 1 8 . 1 1 545 545 SER CB C 545 62.348 62.348 62.709 -0.361 25657 3053 1 8 . 1 1 545 545 SER H H 545 7.407 7.407 7.660 -0.253 25657 3054 1 8 . 1 1 546 546 ILE N N 546 122.380 122.380 123.402 -1.022 25657 3055 1 8 . 1 1 546 546 ILE HA H 546 3.463 3.463 3.700 -0.237 25657 3056 1 8 . 1 1 546 546 ILE CA C 546 66.242 66.242 65.320 0.922 25657 3057 1 8 . 1 1 546 546 ILE CB C 546 38.328 38.328 38.000 0.328 25657 3058 1 8 . 1 1 546 546 ILE H H 546 7.830 7.830 7.476 0.354 25657 3059 1 8 . 1 1 547 547 MET N N 547 117.942 117.942 119.489 -1.547 25657 3060 1 8 . 1 1 547 547 MET HA H 547 4.498 4.498 4.125 0.373 25657 3061 1 8 . 1 1 547 547 MET CA C 547 56.982 56.982 59.596 -2.614 25657 3062 1 8 . 1 1 547 547 MET CB C 547 30.197 30.197 32.352 -2.155 25657 3063 1 8 . 1 1 547 547 MET H H 547 8.524 8.524 8.492 0.032 25657 3064 1 8 . 1 1 548 548 ASP N N 548 119.475 119.475 119.334 0.141 25657 3065 1 8 . 1 1 548 548 ASP HA H 548 4.497 4.497 4.220 0.277 25657 3066 1 8 . 1 1 548 548 ASP CA C 548 57.493 57.493 57.947 -0.454 25657 3067 1 8 . 1 1 548 548 ASP CB C 548 39.350 39.350 40.173 -0.823 25657 3068 1 8 . 1 1 548 548 ASP H H 548 8.820 8.820 8.014 0.806 25657 3069 1 8 . 1 1 549 549 ASN N N 549 116.905 116.905 118.405 -1.500 25657 3070 1 8 . 1 1 549 549 ASN HA H 549 4.141 4.141 4.427 -0.286 25657 3071 1 8 . 1 1 549 549 ASN CA C 549 57.493 57.493 56.413 1.079 25657 3072 1 8 . 1 1 549 549 ASN CB C 549 41.139 41.139 38.686 2.453 25657 3073 1 8 . 1 1 549 549 ASN H H 549 7.443 7.443 7.780 -0.337 25657 3074 1 8 . 1 1 550 550 PHE N N 550 115.303 115.303 118.516 -3.213 25657 3075 1 8 . 1 1 550 550 PHE HA H 550 4.384 4.384 4.168 0.216 25657 3076 1 8 . 1 1 550 550 PHE CA C 550 60.815 60.815 61.752 -0.937 25657 3077 1 8 . 1 1 550 550 PHE CB C 550 39.409 39.409 38.960 0.449 25657 3078 1 8 . 1 1 550 550 PHE H H 550 7.283 7.283 8.033 -0.750 25657 3079 1 8 . 1 1 551 551 LEU N N 551 117.577 117.577 117.520 0.057 25657 3080 1 8 . 1 1 551 551 LEU HA H 551 4.313 4.313 4.111 0.202 25657 3081 1 8 . 1 1 551 551 LEU CA C 551 56.471 56.471 57.131 -0.660 25657 3082 1 8 . 1 1 551 551 LEU CB C 551 43.183 43.183 41.760 1.423 25657 3083 1 8 . 1 1 551 551 LEU H H 551 8.274 8.274 7.813 0.461 25657 3084 1 8 . 1 1 552 552 GLU N N 552 115.846 115.846 118.081 -2.235 25657 3085 1 8 . 1 1 552 552 GLU HA H 552 3.942 3.942 4.206 -0.264 25657 3086 1 8 . 1 1 552 552 GLU CA C 552 59.282 59.282 56.413 2.869 25657 3087 1 8 . 1 1 552 552 GLU CB C 552 29.103 29.103 29.922 -0.819 25657 3088 1 8 . 1 1 552 552 GLU H H 552 8.161 8.161 8.012 0.149 25657 3089 1 8 . 1 1 553 553 ARG N N 553 116.743 116.743 120.910 -4.167 25657 3090 1 8 . 1 1 553 553 ARG HA H 553 4.574 4.574 4.075 0.499 25657 3091 1 8 . 1 1 553 553 ARG CA C 553 55.960 55.960 57.046 -1.086 25657 3092 1 8 . 1 1 553 553 ARG CB C 553 30.662 30.662 29.458 1.204 25657 3093 1 8 . 1 1 553 553 ARG H H 553 6.884 6.884 7.690 -0.806 25657 3094 1 8 . 1 1 554 554 THR N N 554 110.707 110.707 120.472 -9.765 25657 3095 1 8 . 1 1 554 554 THR HA H 554 4.389 4.389 4.413 -0.024 25657 3096 1 8 . 1 1 554 554 THR CA C 554 61.070 61.070 61.874 -0.804 25657 3097 1 8 . 1 1 554 554 THR CB C 554 71.292 71.292 69.947 1.345 25657 3098 1 8 . 1 1 554 554 THR H H 554 8.620 8.620 7.899 0.721 25657 3099 1 8 . 1 1 555 555 ALA N N 555 122.620 122.620 125.327 -2.707 25657 3100 1 8 . 1 1 555 555 ALA HA H 555 4.096 4.096 4.125 -0.029 25657 3101 1 8 . 1 1 555 555 ALA CA C 555 55.354 55.354 54.393 0.961 25657 3102 1 8 . 1 1 555 555 ALA CB C 555 18.127 18.127 18.640 -0.513 25657 3103 1 8 . 1 1 555 555 ALA H H 555 8.682 8.682 8.634 0.048 25657 3104 1 8 . 1 1 556 556 ILE N N 556 114.464 114.464 118.234 -3.770 25657 3105 1 8 . 1 1 556 556 ILE HA H 556 3.889 3.889 3.668 0.221 25657 3106 1 8 . 1 1 556 556 ILE CA C 556 63.370 63.370 62.352 1.018 25657 3107 1 8 . 1 1 556 556 ILE CB C 556 38.073 38.073 37.605 0.468 25657 3108 1 8 . 1 1 556 556 ILE H H 556 7.702 7.702 7.913 -0.211 25657 3109 1 8 . 1 1 557 557 GLU N N 557 121.301 121.301 120.947 0.354 25657 3110 1 8 . 1 1 557 557 GLU HA H 557 4.256 4.256 4.177 0.079 25657 3111 1 8 . 1 1 557 557 GLU CA C 557 58.771 58.771 59.102 -0.331 25657 3112 1 8 . 1 1 557 557 GLU CB C 557 31.316 31.316 28.988 2.328 25657 3113 1 8 . 1 1 557 557 GLU H H 557 7.545 7.545 7.777 -0.232 25657 3114 1 8 . 1 1 558 558 LEU N N 558 118.899 118.899 115.712 3.187 25657 3115 1 8 . 1 1 558 558 LEU HA H 558 4.062 4.062 4.308 -0.246 25657 3116 1 8 . 1 1 558 558 LEU CA C 558 58.004 58.004 56.015 1.989 25657 3117 1 8 . 1 1 558 558 LEU CB C 558 42.417 42.417 41.605 0.812 25657 3118 1 8 . 1 1 558 558 LEU H H 558 7.829 7.829 7.711 0.118 25657 3119 1 8 . 1 1 562 562 TRP HA H 562 4.366 4.366 4.440 -0.074 25657 3120 1 8 . 1 1 562 562 TRP CA C 562 59.793 59.793 60.541 -0.748 25657 3121 1 8 . 1 1 562 562 TRP CB C 562 28.874 28.874 29.021 -0.147 25657 3122 1 8 . 1 1 563 563 VAL HA H 563 3.659 3.659 2.552 1.107 25657 3123 1 8 . 1 1 563 563 VAL CA C 563 65.926 65.926 64.756 1.170 25657 3124 1 8 . 1 1 563 563 VAL CB C 563 31.429 31.429 30.989 0.440 25657 3125 1 8 . 1 1 564 564 ARG HA H 564 4.273 4.273 3.806 0.467 25657 3126 1 8 . 1 1 564 564 ARG CA C 564 56.982 56.982 59.756 -2.774 25657 3127 1 8 . 1 1 564 564 ARG CB C 564 30.151 30.151 29.578 0.573 25657 3128 1 8 . 1 1 566 566 LEU HA H 566 4.057 4.057 3.987 0.070 25657 3129 1 8 . 1 1 566 566 LEU CA C 566 57.749 57.749 57.887 -0.138 25657 3130 1 8 . 1 1 566 566 LEU CB C 566 41.139 41.139 41.490 -0.351 25657 3131 1 8 . 1 1 567 567 ALA HA H 567 4.004 4.004 4.231 -0.227 25657 3132 1 8 . 1 1 567 567 ALA CA C 567 54.427 54.427 54.982 -0.555 25657 3133 1 8 . 1 1 567 567 ALA CB C 567 19.419 19.419 18.405 1.014 25657 3134 1 8 . 1 1 569 569 ALA N N 569 123.940 123.940 122.424 1.516 25657 3135 1 8 . 1 1 569 569 ALA HA H 569 3.741 3.741 4.082 -0.341 25657 3136 1 8 . 1 1 569 569 ALA CB C 569 17.725 17.725 18.207 -0.482 25657 3137 1 8 . 1 1 570 570 LEU N N 570 117.193 117.193 118.173 -0.980 25657 3138 1 8 . 1 1 570 570 LEU HA H 570 4.039 4.039 4.007 0.032 25657 3139 1 8 . 1 1 570 570 LEU CA C 570 57.749 57.749 57.389 0.360 25657 3140 1 8 . 1 1 570 570 LEU CB C 570 41.906 41.906 41.943 -0.037 25657 3141 1 8 . 1 1 570 570 LEU H H 570 7.636 7.636 7.686 -0.050 25657 3142 1 8 . 1 1 573 573 LEU N N 573 123.340 123.340 122.603 0.737 25657 3143 1 8 . 1 1 573 573 LEU HA H 573 4.150 4.150 3.875 0.275 25657 3144 1 8 . 1 1 573 573 LEU CA C 573 57.757 57.757 57.661 0.096 25657 3145 1 8 . 1 1 573 573 LEU CB C 573 42.417 42.417 41.286 1.131 25657 3146 1 8 . 1 1 573 573 LEU H H 573 8.510 8.510 7.814 0.696 25657 3147 1 8 . 1 1 574 574 TYR N N 574 114.647 114.647 114.880 -0.233 25657 3148 1 8 . 1 1 574 574 TYR H H 574 7.510 7.510 7.214 0.296 25657 3149 1 8 . 1 1 575 575 MET N N 575 123.163 123.163 117.085 6.078 25657 3150 1 8 . 1 1 575 575 MET HA H 575 4.363 4.363 3.996 0.367 25657 3151 1 8 . 1 1 575 575 MET CA C 575 55.449 55.449 58.488 -3.039 25657 3152 1 8 . 1 1 575 575 MET CB C 575 29.385 29.385 31.768 -2.383 25657 3153 1 8 . 1 1 575 575 MET H H 575 7.209 7.209 8.196 -0.987 25657 3154 1 8 . 1 1 579 579 GLU N N 579 123.708 123.708 120.480 3.228 25657 3155 1 8 . 1 1 579 579 GLU HA H 579 4.402 4.402 3.905 0.497 25657 3156 1 8 . 1 1 579 579 GLU CA C 579 57.749 57.749 60.263 -2.514 25657 3157 1 8 . 1 1 579 579 GLU CB C 579 29.193 29.193 29.291 -0.098 25657 3158 1 8 . 1 1 579 579 GLU H H 579 8.893 8.893 8.753 0.140 25657 3159 1 8 . 1 1 580 580 GLN N N 580 119.901 119.901 118.138 1.763 25657 3160 1 8 . 1 1 580 580 GLN HA H 580 4.231 4.231 3.946 0.285 25657 3161 1 8 . 1 1 580 580 GLN CA C 580 58.200 58.200 58.578 -0.378 25657 3162 1 8 . 1 1 580 580 GLN CB C 580 29.385 29.385 28.367 1.018 25657 3163 1 8 . 1 1 580 580 GLN H H 580 7.768 7.768 8.167 -0.399 25657 3164 1 8 . 1 1 581 581 VAL N N 581 118.005 118.005 118.633 -0.628 25657 3165 1 8 . 1 1 581 581 VAL HA H 581 3.786 3.786 3.413 0.373 25657 3166 1 8 . 1 1 581 581 VAL CA C 581 61.326 61.326 66.043 -4.717 25657 3167 1 8 . 1 1 581 581 VAL CB C 581 34.495 34.495 31.109 3.386 25657 3168 1 8 . 1 1 581 581 VAL H H 581 8.874 8.874 7.322 1.552 25657 3169 1 8 . 1 1 582 582 ASP N N 582 123.700 123.700 120.621 3.079 25657 3170 1 8 . 1 1 582 582 ASP HA H 582 4.161 4.161 4.337 -0.176 25657 3171 1 8 . 1 1 582 582 ASP CA C 582 58.260 58.260 57.462 0.798 25657 3172 1 8 . 1 1 582 582 ASP CB C 582 39.355 39.355 40.712 -1.357 25657 3173 1 8 . 1 1 582 582 ASP H H 582 7.604 7.604 8.510 -0.906 25657 3174 1 8 . 1 1 583 583 ASP N N 583 119.292 119.292 120.570 -1.278 25657 3175 1 8 . 1 1 583 583 ASP HA H 583 4.546 4.546 4.699 -0.153 25657 3176 1 8 . 1 1 583 583 ASP CA C 583 54.938 54.938 57.457 -2.519 25657 3177 1 8 . 1 1 583 583 ASP CB C 583 40.628 40.628 41.043 -0.415 25657 3178 1 8 . 1 1 583 583 ASP H H 583 8.376 8.376 7.654 0.722 25657 3179 1 8 . 1 1 584 584 VAL N N 584 121.900 121.900 119.801 2.099 25657 3180 1 8 . 1 1 584 584 VAL HA H 584 3.727 3.727 3.658 0.069 25657 3181 1 8 . 1 1 584 584 VAL CA C 584 65.159 65.159 66.165 -1.006 25657 3182 1 8 . 1 1 584 584 VAL CB C 584 31.429 31.429 31.252 0.177 25657 3183 1 8 . 1 1 584 584 VAL H H 584 7.732 7.732 7.820 -0.088 25657 3184 1 8 . 1 1 585 585 LEU N N 585 119.481 119.481 119.690 -0.209 25657 3185 1 8 . 1 1 585 585 LEU HA H 585 3.879 3.879 3.741 0.138 25657 3186 1 8 . 1 1 585 585 LEU CA C 585 57.493 57.493 58.136 -0.643 25657 3187 1 8 . 1 1 585 585 LEU CB C 585 40.628 40.628 41.426 -0.798 25657 3188 1 8 . 1 1 585 585 LEU H H 585 8.018 8.018 7.651 0.367 25657 3189 1 8 . 1 1 586 586 GLU N N 586 118.081 118.081 118.509 -0.428 25657 3190 1 8 . 1 1 586 586 GLU HA H 586 4.283 4.283 3.847 0.436 25657 3191 1 8 . 1 1 586 586 GLU CA C 586 55.704 55.704 59.582 -3.878 25657 3192 1 8 . 1 1 586 586 GLU CB C 586 29.129 29.129 29.337 -0.208 25657 3193 1 8 . 1 1 586 586 GLU H H 586 7.729 7.729 7.869 -0.140 25657 3194 1 8 . 1 1 587 587 THR HA H 587 3.882 3.882 4.035 -0.153 25657 3195 1 8 . 1 1 587 587 THR CA C 587 66.400 66.400 66.279 0.121 25657 3196 1 8 . 1 1 587 587 THR CB C 587 68.288 68.288 68.335 -0.047 25657 3197 1 8 . 1 1 588 588 ILE HA H 588 3.484 3.484 4.028 -0.544 25657 3198 1 8 . 1 1 588 588 ILE CA C 588 64.025 64.025 63.912 0.113 25657 3199 1 8 . 1 1 588 588 ILE CB C 588 37.562 37.562 37.705 -0.143 25657 3200 1 8 . 1 1 589 589 SER HA H 589 4.403 4.403 4.511 -0.108 25657 3201 1 8 . 1 1 589 589 SER CA C 589 58.477 58.477 61.215 -2.739 25657 3202 1 8 . 1 1 589 589 SER CB C 589 63.314 63.314 63.308 0.006 25657 3203 1 8 . 1 1 590 590 ALA N N 590 121.916 121.916 122.219 -0.303 25657 3204 1 8 . 1 1 590 590 ALA HA H 590 4.329 4.329 4.240 0.089 25657 3205 1 8 . 1 1 590 590 ALA CA C 590 51.871 51.871 53.737 -1.866 25657 3206 1 8 . 1 1 590 590 ALA CB C 590 19.324 19.324 19.611 -0.287 25657 3207 1 8 . 1 1 590 590 ALA H H 590 7.097 7.097 7.384 -0.287 25657 3208 1 8 . 1 1 591 591 ILE N N 591 119.802 119.802 120.444 -0.642 25657 3209 1 8 . 1 1 591 591 ILE HA H 591 4.175 4.175 4.312 -0.137 25657 3210 1 8 . 1 1 591 591 ILE CA C 591 61.070 61.070 60.949 0.121 25657 3211 1 8 . 1 1 591 591 ILE CB C 591 38.584 38.584 39.284 -0.700 25657 3212 1 8 . 1 1 591 591 ILE H H 591 7.990 7.990 7.335 0.655 25657 3213 1 8 . 1 1 593 593 HIS HA H 593 4.874 4.874 4.826 0.048 25657 3214 1 8 . 1 1 593 593 HIS CA C 593 53.660 53.660 54.933 -1.273 25657 3215 1 8 . 1 1 593 593 HIS CB C 593 30.094 30.094 29.761 0.333 25657 3216 1 8 . 1 1 594 594 PRO HA H 594 4.325 4.325 4.155 0.170 25657 3217 1 8 . 1 1 594 594 PRO CA C 594 63.355 63.355 65.871 -2.516 25657 3218 1 8 . 1 1 594 594 PRO CB C 594 31.940 31.940 31.928 0.012 25657 3219 1 8 . 1 1 595 595 MET N N 595 120.044 120.044 114.962 5.082 25657 3220 1 8 . 1 1 595 595 MET H H 595 8.232 8.232 8.314 -0.082 25657 3221 1 8 . 1 1 596 596 THR HA H 596 3.558 3.558 3.873 -0.315 25657 3222 1 8 . 1 1 596 596 THR CA C 596 68.481 68.481 67.030 1.451 25657 3223 1 8 . 1 1 596 596 THR CB C 596 68.225 68.225 68.084 0.141 25657 3224 1 8 . 1 1 597 597 SER HA H 597 3.998 3.998 4.322 -0.324 25657 3225 1 8 . 1 1 597 597 SER CA C 597 61.070 61.070 61.615 -0.545 25657 3226 1 8 . 1 1 597 597 SER CB C 597 62.859 62.859 62.985 -0.126 25657 3227 1 8 . 1 1 598 598 ALA HA H 598 4.136 4.136 4.098 0.038 25657 3228 1 8 . 1 1 598 598 ALA CA C 598 54.171 54.171 54.805 -0.634 25657 3229 1 8 . 1 1 598 598 ALA CB C 598 18.141 18.141 18.216 -0.075 25657 3230 1 8 . 1 1 599 599 ILE HA H 599 3.456 3.456 3.551 -0.095 25657 3231 1 8 . 1 1 599 599 ILE CA C 599 66.181 66.181 64.879 1.302 25657 3232 1 8 . 1 1 599 599 ILE CB C 599 37.802 37.802 37.731 0.071 25657 3233 1 8 . 1 1 600 600 GLU HA H 600 3.658 3.658 3.938 -0.280 25657 3234 1 8 . 1 1 600 600 GLU CA C 600 60.048 60.048 59.681 0.367 25657 3235 1 8 . 1 1 600 600 GLU CB C 600 29.385 29.385 29.451 -0.066 25657 3236 1 8 . 1 1 601 601 VAL HA H 601 3.735 3.735 3.791 -0.056 25657 3237 1 8 . 1 1 601 601 VAL CA C 601 65.926 65.926 65.327 0.599 25657 3238 1 8 . 1 1 601 601 VAL CB C 601 31.684 31.684 31.755 -0.071 25657 3239 1 8 . 1 1 603 603 VAL HA H 603 3.734 3.734 3.715 0.019 25657 3240 1 8 . 1 1 603 603 VAL CA C 603 65.415 65.415 65.336 0.079 25657 3241 1 8 . 1 1 603 603 VAL CB C 603 31.684 31.684 31.217 0.467 25657 3242 1 8 . 1 1 604 604 GLY CA C 604 47.272 47.272 46.636 0.635 25657 3243 1 8 . 1 1 606 606 CYS HA H 606 4.827 4.827 4.303 0.524 25657 3244 1 8 . 1 1 606 606 CYS CA C 606 54.938 54.938 59.284 -4.346 25657 3245 1 8 . 1 1 606 606 CYS CB C 606 33.218 33.218 25.450 7.768 25657 3246 1 8 . 1 1 607 607 ALA HA H 607 4.652 4.652 4.492 0.160 25657 3247 1 8 . 1 1 607 607 ALA CA C 607 54.682 54.682 51.912 2.770 25657 3248 1 8 . 1 1 607 607 ALA CB C 607 19.419 19.419 20.222 -0.803 25657 3249 1 9 . 1 1 484 484 LYS HA H 484 4.551 4.551 4.047 0.504 25657 3250 1 9 . 1 1 484 484 LYS CA C 484 55.960 55.960 56.535 -0.575 25657 3251 1 9 . 1 1 484 484 LYS CB C 484 32.962 32.962 30.259 2.704 25657 3252 1 9 . 1 1 488 488 ALA HA H 488 3.926 3.926 4.180 -0.254 25657 3253 1 9 . 1 1 488 488 ALA CA C 488 54.682 54.682 54.659 0.023 25657 3254 1 9 . 1 1 488 488 ALA CB C 488 18.652 18.652 18.267 0.385 25657 3255 1 9 . 1 1 489 489 ALA HA H 489 3.910 3.910 4.152 -0.242 25657 3256 1 9 . 1 1 489 489 ALA CA C 489 54.563 54.563 54.981 -0.418 25657 3257 1 9 . 1 1 489 489 ALA CB C 489 18.733 18.733 18.381 0.352 25657 3258 1 9 . 1 1 490 490 ILE HA H 490 4.120 4.120 3.891 0.229 25657 3259 1 9 . 1 1 490 490 ILE CA C 490 61.752 61.752 62.821 -1.069 25657 3260 1 9 . 1 1 490 490 ILE CB C 490 38.584 38.584 36.440 2.144 25657 3261 1 9 . 1 1 493 493 LEU HA H 493 4.293 4.293 4.278 0.015 25657 3262 1 9 . 1 1 493 493 LEU CA C 493 55.121 55.121 56.501 -1.380 25657 3263 1 9 . 1 1 493 493 LEU CB C 493 42.180 42.180 41.721 0.459 25657 3264 1 9 . 1 1 494 494 GLY CA C 494 47.527 47.527 47.271 0.256 25657 3265 1 9 . 1 1 496 496 ALA HA H 496 4.034 4.034 4.133 -0.099 25657 3266 1 9 . 1 1 496 496 ALA CA C 496 55.704 55.704 54.733 0.971 25657 3267 1 9 . 1 1 496 496 ALA CB C 496 19.830 19.830 17.755 2.075 25657 3268 1 9 . 1 1 497 497 PHE HA H 497 4.621 4.621 4.041 0.580 25657 3269 1 9 . 1 1 497 497 PHE CA C 497 57.493 57.493 61.806 -4.313 25657 3270 1 9 . 1 1 497 497 PHE CB C 497 38.584 38.584 38.721 -0.138 25657 3271 1 9 . 1 1 498 498 ALA HA H 498 3.822 3.822 4.121 -0.299 25657 3272 1 9 . 1 1 498 498 ALA CA C 498 54.735 54.735 53.744 0.991 25657 3273 1 9 . 1 1 498 498 ALA CB C 498 18.397 18.397 18.169 0.228 25657 3274 1 9 . 1 1 500 500 SER N N 500 113.984 113.984 116.076 -2.092 25657 3275 1 9 . 1 1 500 500 SER HA H 500 4.200 4.200 4.228 -0.028 25657 3276 1 9 . 1 1 500 500 SER CA C 500 60.559 60.559 60.544 0.015 25657 3277 1 9 . 1 1 500 500 SER CB C 500 65.159 65.159 62.774 2.385 25657 3278 1 9 . 1 1 500 500 SER H H 500 8.124 8.124 8.536 -0.412 25657 3279 1 9 . 1 1 501 501 LYS N N 501 118.485 118.485 120.554 -2.069 25657 3280 1 9 . 1 1 501 501 LYS HA H 501 4.276 4.276 4.442 -0.166 25657 3281 1 9 . 1 1 501 501 LYS CA C 501 55.960 55.960 55.917 0.043 25657 3282 1 9 . 1 1 501 501 LYS H H 501 8.419 8.419 8.095 0.324 25657 3283 1 9 . 1 1 502 502 ASN N N 502 115.874 115.874 116.818 -0.944 25657 3284 1 9 . 1 1 502 502 ASN HA H 502 4.275 4.275 4.939 -0.664 25657 3285 1 9 . 1 1 502 502 ASN CA C 502 55.449 55.449 52.424 3.025 25657 3286 1 9 . 1 1 502 502 ASN CB C 502 39.861 39.861 41.807 -1.946 25657 3287 1 9 . 1 1 502 502 ASN H H 502 6.247 6.247 7.572 -1.325 25657 3288 1 9 . 1 1 503 503 ASP N N 503 127.293 127.293 119.953 7.340 25657 3289 1 9 . 1 1 503 503 ASP HA H 503 4.551 4.551 4.470 0.081 25657 3290 1 9 . 1 1 503 503 ASP CA C 503 56.982 56.982 56.013 0.969 25657 3291 1 9 . 1 1 503 503 ASP CB C 503 41.395 41.395 40.839 0.556 25657 3292 1 9 . 1 1 503 503 ASP H H 503 8.734 8.734 8.846 -0.112 25657 3293 1 9 . 1 1 504 504 GLU N N 504 123.432 123.432 120.634 2.798 25657 3294 1 9 . 1 1 504 504 GLU HA H 504 4.094 4.094 4.144 -0.050 25657 3295 1 9 . 1 1 504 504 GLU CA C 504 59.282 59.282 58.999 0.283 25657 3296 1 9 . 1 1 504 504 GLU CB C 504 28.618 28.618 29.435 -0.817 25657 3297 1 9 . 1 1 504 504 GLU H H 504 8.208 8.208 8.268 -0.060 25657 3298 1 9 . 1 1 505 505 VAL N N 505 121.171 121.171 120.317 0.854 25657 3299 1 9 . 1 1 505 505 VAL HA H 505 3.284 3.284 3.625 -0.341 25657 3300 1 9 . 1 1 505 505 VAL CA C 505 66.547 66.547 66.070 0.477 25657 3301 1 9 . 1 1 505 505 VAL CB C 505 30.918 30.918 31.816 -0.898 25657 3302 1 9 . 1 1 505 505 VAL H H 505 8.343 8.343 7.848 0.495 25657 3303 1 9 . 1 1 506 506 LEU N N 506 120.468 120.468 119.858 0.610 25657 3304 1 9 . 1 1 506 506 LEU HA H 506 3.956 3.956 3.938 0.018 25657 3305 1 9 . 1 1 506 506 LEU CA C 506 58.667 58.667 57.880 0.787 25657 3306 1 9 . 1 1 506 506 LEU CB C 506 41.139 41.139 41.414 -0.275 25657 3307 1 9 . 1 1 506 506 LEU H H 506 7.677 7.677 7.570 0.107 25657 3308 1 9 . 1 1 507 507 GLY N N 507 102.846 102.846 106.951 -4.105 25657 3309 1 9 . 1 1 507 507 GLY CA C 507 46.428 46.428 47.233 -0.805 25657 3310 1 9 . 1 1 507 507 GLY H H 507 7.864 7.864 8.186 -0.322 25657 3311 1 9 . 1 1 508 508 LEU N N 508 119.101 119.101 121.516 -2.415 25657 3312 1 9 . 1 1 508 508 LEU HA H 508 4.209 4.209 4.476 -0.267 25657 3313 1 9 . 1 1 508 508 LEU CA C 508 56.471 56.471 56.471 0.000 25657 3314 1 9 . 1 1 508 508 LEU CB C 508 43.362 43.362 42.063 1.299 25657 3315 1 9 . 1 1 508 508 LEU H H 508 7.368 7.368 7.569 -0.201 25657 3316 1 9 . 1 1 509 509 LEU N N 509 112.199 112.199 120.990 -8.791 25657 3317 1 9 . 1 1 509 509 LEU HA H 509 4.387 4.387 4.002 0.385 25657 3318 1 9 . 1 1 509 509 LEU CA C 509 55.073 55.073 58.017 -2.943 25657 3319 1 9 . 1 1 509 509 LEU CB C 509 42.111 42.111 40.879 1.232 25657 3320 1 9 . 1 1 509 509 LEU H H 509 8.043 8.043 8.560 -0.517 25657 3321 1 9 . 1 1 510 510 LEU N N 510 124.597 124.597 120.040 4.557 25657 3322 1 9 . 1 1 510 510 LEU HA H 510 3.986 3.986 4.067 -0.081 25657 3323 1 9 . 1 1 510 510 LEU CA C 510 59.537 59.537 60.323 -0.786 25657 3324 1 9 . 1 1 510 510 LEU CB C 510 38.809 38.809 38.437 0.372 25657 3325 1 9 . 1 1 510 510 LEU H H 510 9.023 9.023 7.704 1.319 25657 3326 1 9 . 1 1 511 511 PRO HA H 511 4.188 4.188 4.167 0.021 25657 3327 1 9 . 1 1 511 511 PRO CA C 511 65.159 65.159 66.072 -0.913 25657 3328 1 9 . 1 1 511 511 PRO CB C 511 31.173 31.173 31.463 -0.290 25657 3329 1 9 . 1 1 512 512 ILE N N 512 116.144 116.144 117.388 -1.244 25657 3330 1 9 . 1 1 512 512 ILE HA H 512 3.555 3.555 3.811 -0.256 25657 3331 1 9 . 1 1 512 512 ILE CA C 512 63.626 63.626 64.551 -0.925 25657 3332 1 9 . 1 1 512 512 ILE CB C 512 37.562 37.562 37.517 0.045 25657 3333 1 9 . 1 1 512 512 ILE H H 512 6.740 6.740 7.676 -0.936 25657 3334 1 9 . 1 1 513 513 ALA N N 513 120.058 120.058 122.221 -2.163 25657 3335 1 9 . 1 1 513 513 ALA HA H 513 4.001 4.001 4.282 -0.281 25657 3336 1 9 . 1 1 513 513 ALA CA C 513 54.684 54.684 53.826 0.858 25657 3337 1 9 . 1 1 513 513 ALA CB C 513 17.961 17.961 18.373 -0.412 25657 3338 1 9 . 1 1 513 513 ALA H H 513 7.742 7.742 8.343 -0.601 25657 3339 1 9 . 1 1 514 514 ALA N N 514 112.305 112.305 119.956 -7.651 25657 3340 1 9 . 1 1 514 514 ALA HA H 514 4.043 4.043 4.361 -0.318 25657 3341 1 9 . 1 1 514 514 ALA CA C 514 51.908 51.908 50.789 1.119 25657 3342 1 9 . 1 1 514 514 ALA CB C 514 19.430 19.430 18.646 0.784 25657 3343 1 9 . 1 1 514 514 ALA H H 514 7.900 7.900 7.667 0.233 25657 3344 1 9 . 1 1 515 515 SER N N 515 113.093 113.093 112.735 0.358 25657 3345 1 9 . 1 1 515 515 SER HA H 515 4.372 4.372 4.116 0.256 25657 3346 1 9 . 1 1 515 515 SER CA C 515 57.781 57.781 59.353 -1.572 25657 3347 1 9 . 1 1 515 515 SER CB C 515 63.115 63.115 61.328 1.787 25657 3348 1 9 . 1 1 515 515 SER H H 515 7.103 7.103 7.801 -0.698 25657 3349 1 9 . 1 1 516 516 THR N N 516 115.846 115.846 111.806 4.040 25657 3350 1 9 . 1 1 516 516 THR HA H 516 4.187 4.187 4.080 0.107 25657 3351 1 9 . 1 1 516 516 THR CA C 516 62.093 62.093 65.212 -3.119 25657 3352 1 9 . 1 1 516 516 THR CB C 516 67.714 67.714 69.277 -1.563 25657 3353 1 9 . 1 1 516 516 THR H H 516 8.161 8.161 8.063 0.098 25657 3354 1 9 . 1 1 517 517 ASP N N 517 118.302 118.302 117.696 0.606 25657 3355 1 9 . 1 1 517 517 ASP HA H 517 4.574 4.574 4.698 -0.124 25657 3356 1 9 . 1 1 517 517 ASP CA C 517 54.171 54.171 54.201 -0.030 25657 3357 1 9 . 1 1 517 517 ASP CB C 517 41.139 41.139 41.055 0.084 25657 3358 1 9 . 1 1 517 517 ASP H H 517 8.295 8.295 8.284 0.011 25657 3359 1 9 . 1 1 518 518 LEU N N 518 121.136 121.136 117.688 3.448 25657 3360 1 9 . 1 1 518 518 LEU HA H 518 4.531 4.531 4.995 -0.464 25657 3361 1 9 . 1 1 518 518 LEU CA C 518 53.050 53.050 51.468 1.582 25657 3362 1 9 . 1 1 518 518 LEU CB C 518 40.884 40.884 42.606 -1.722 25657 3363 1 9 . 1 1 518 518 LEU H H 518 7.150 7.150 7.382 -0.232 25657 3364 1 9 . 1 1 519 519 PRO HA H 519 4.385 4.385 4.351 0.034 25657 3365 1 9 . 1 1 519 519 PRO CA C 519 63.115 63.115 62.720 0.395 25657 3366 1 9 . 1 1 519 519 PRO CB C 519 32.195 32.195 32.545 -0.350 25657 3367 1 9 . 1 1 520 520 ILE N N 520 121.919 121.919 124.124 -2.205 25657 3368 1 9 . 1 1 520 520 ILE HA H 520 3.760 3.760 3.627 0.133 25657 3369 1 9 . 1 1 520 520 ILE CA C 520 63.881 63.881 65.139 -1.258 25657 3370 1 9 . 1 1 520 520 ILE CB C 520 37.817 37.817 37.805 0.012 25657 3371 1 9 . 1 1 520 520 ILE H H 520 8.655 8.655 8.415 0.240 25657 3372 1 9 . 1 1 522 522 THR N N 522 114.698 114.698 115.166 -0.468 25657 3373 1 9 . 1 1 522 522 THR HA H 522 3.647 3.647 4.081 -0.434 25657 3374 1 9 . 1 1 522 522 THR CA C 522 65.670 65.670 65.802 -0.132 25657 3375 1 9 . 1 1 522 522 THR CB C 522 68.481 68.481 68.162 0.319 25657 3376 1 9 . 1 1 522 522 THR H H 522 6.636 6.636 8.072 -1.436 25657 3377 1 9 . 1 1 523 523 ALA N N 523 122.860 122.860 123.195 -0.335 25657 3378 1 9 . 1 1 523 523 ALA HA H 523 3.940 3.940 4.234 -0.294 25657 3379 1 9 . 1 1 523 523 ALA CA C 523 55.415 55.415 54.485 0.930 25657 3380 1 9 . 1 1 523 523 ALA CB C 523 18.392 18.392 18.204 0.188 25657 3381 1 9 . 1 1 523 523 ALA H H 523 7.251 7.251 7.570 -0.319 25657 3382 1 9 . 1 1 524 524 ALA N N 524 121.541 121.541 122.065 -0.524 25657 3383 1 9 . 1 1 524 524 ALA HA H 524 3.933 3.933 4.465 -0.532 25657 3384 1 9 . 1 1 524 524 ALA CA C 524 55.193 55.193 54.332 0.861 25657 3385 1 9 . 1 1 524 524 ALA CB C 524 18.652 18.652 18.998 -0.346 25657 3386 1 9 . 1 1 524 524 ALA H H 524 9.218 9.218 8.617 0.601 25657 3387 1 9 . 1 1 526 526 ALA HA H 526 3.886 3.886 4.089 -0.203 25657 3388 1 9 . 1 1 526 526 ALA CA C 526 55.544 55.544 55.709 -0.165 25657 3389 1 9 . 1 1 526 526 ALA CB C 526 18.113 18.113 18.170 -0.057 25657 3390 1 9 . 1 1 527 527 SER HA H 527 3.932 3.932 4.177 -0.245 25657 3391 1 9 . 1 1 527 527 SER CA C 527 60.304 60.304 61.522 -1.218 25657 3392 1 9 . 1 1 527 527 SER CB C 527 62.859 62.859 62.300 0.559 25657 3393 1 9 . 1 1 528 528 LEU HA H 528 4.030 4.030 3.906 0.124 25657 3394 1 9 . 1 1 528 528 LEU CA C 528 57.252 57.252 57.706 -0.454 25657 3395 1 9 . 1 1 528 528 LEU CB C 528 41.555 41.555 41.676 -0.121 25657 3396 1 9 . 1 1 529 529 ALA HA H 529 4.312 4.312 3.685 0.627 25657 3397 1 9 . 1 1 529 529 ALA CA C 529 52.127 52.127 54.504 -2.377 25657 3398 1 9 . 1 1 529 529 ALA CB C 529 18.908 18.908 17.314 1.595 25657 3399 1 9 . 1 1 530 530 LEU HA H 530 3.931 3.931 4.098 -0.167 25657 3400 1 9 . 1 1 530 530 LEU CA C 530 57.493 57.493 57.619 -0.126 25657 3401 1 9 . 1 1 530 530 LEU CB C 530 42.161 42.161 42.033 0.128 25657 3402 1 9 . 1 1 531 531 ALA N N 531 121.603 121.603 119.597 2.006 25657 3403 1 9 . 1 1 531 531 ALA HA H 531 3.874 3.874 3.994 -0.120 25657 3404 1 9 . 1 1 531 531 ALA CA C 531 55.704 55.704 54.595 1.109 25657 3405 1 9 . 1 1 531 531 ALA CB C 531 19.842 19.842 18.466 1.376 25657 3406 1 9 . 1 1 531 531 ALA H H 531 8.675 8.675 8.086 0.589 25657 3407 1 9 . 1 1 533 533 VAL HA H 533 4.073 4.073 3.940 0.133 25657 3408 1 9 . 1 1 533 533 VAL CA C 533 66.437 66.437 66.098 0.339 25657 3409 1 9 . 1 1 533 533 VAL CB C 533 31.684 31.684 32.205 -0.521 25657 3410 1 9 . 1 1 535 535 VAL N N 535 125.207 125.207 119.312 5.895 25657 3411 1 9 . 1 1 535 535 VAL HA H 535 4.047 4.047 3.801 0.246 25657 3412 1 9 . 1 1 535 535 VAL CA C 535 62.093 62.093 64.085 -1.992 25657 3413 1 9 . 1 1 535 535 VAL CB C 535 30.918 30.918 31.739 -0.821 25657 3414 1 9 . 1 1 535 535 VAL H H 535 6.624 6.624 7.301 -0.677 25657 3415 1 9 . 1 1 536 536 GLY N N 536 116.145 116.145 107.097 9.048 25657 3416 1 9 . 1 1 536 536 GLY CA C 536 45.994 45.994 45.484 0.510 25657 3417 1 9 . 1 1 536 536 GLY H H 536 7.749 7.749 7.927 -0.178 25657 3418 1 9 . 1 1 537 537 THR N N 537 116.707 116.707 113.481 3.226 25657 3419 1 9 . 1 1 537 537 THR HA H 537 4.262 4.262 4.441 -0.179 25657 3420 1 9 . 1 1 537 537 THR CA C 537 62.604 62.604 60.665 1.939 25657 3421 1 9 . 1 1 537 537 THR CB C 537 72.058 72.058 70.036 2.022 25657 3422 1 9 . 1 1 537 537 THR H H 537 7.962 7.962 7.452 0.510 25657 3423 1 9 . 1 1 538 538 CYS N N 538 114.912 114.912 119.870 -4.958 25657 3424 1 9 . 1 1 538 538 CYS HA H 538 4.308 4.308 4.696 -0.388 25657 3425 1 9 . 1 1 538 538 CYS CB C 538 36.284 36.284 29.669 6.615 25657 3426 1 9 . 1 1 538 538 CYS H H 538 8.598 8.598 8.289 0.309 25657 3427 1 9 . 1 1 539 539 ASN N N 539 114.935 114.935 123.857 -8.922 25657 3428 1 9 . 1 1 539 539 ASN HA H 539 4.121 4.121 4.934 -0.813 25657 3429 1 9 . 1 1 539 539 ASN CA C 539 56.215 56.215 52.929 3.286 25657 3430 1 9 . 1 1 539 539 ASN CB C 539 40.628 40.628 42.010 -1.382 25657 3431 1 9 . 1 1 539 539 ASN H H 539 6.886 6.886 8.518 -1.632 25657 3432 1 9 . 1 1 540 540 GLY N N 540 120.207 120.207 109.257 10.950 25657 3433 1 9 . 1 1 540 540 GLY CA C 540 47.527 47.527 46.404 1.123 25657 3434 1 9 . 1 1 540 540 GLY H H 540 9.345 9.345 8.884 0.461 25657 3435 1 9 . 1 1 541 541 ASP N N 541 123.940 123.940 121.494 2.446 25657 3436 1 9 . 1 1 541 541 ASP HA H 541 4.442 4.442 4.355 0.087 25657 3437 1 9 . 1 1 541 541 ASP CA C 541 57.493 57.493 57.653 -0.160 25657 3438 1 9 . 1 1 541 541 ASP CB C 541 39.861 39.861 40.692 -0.831 25657 3439 1 9 . 1 1 541 541 ASP H H 541 7.768 7.768 8.521 -0.753 25657 3440 1 9 . 1 1 542 542 ILE N N 542 121.748 121.748 119.478 2.270 25657 3441 1 9 . 1 1 542 542 ILE HA H 542 3.423 3.423 3.587 -0.164 25657 3442 1 9 . 1 1 542 542 ILE CA C 542 64.903 64.903 64.964 -0.061 25657 3443 1 9 . 1 1 542 542 ILE CB C 542 37.562 37.562 37.683 -0.121 25657 3444 1 9 . 1 1 542 542 ILE H H 542 8.866 8.866 8.003 0.863 25657 3445 1 9 . 1 1 543 543 THR N N 543 117.103 117.103 116.784 0.319 25657 3446 1 9 . 1 1 543 543 THR HA H 543 3.535 3.535 3.891 -0.356 25657 3447 1 9 . 1 1 543 543 THR CA C 543 68.481 68.481 67.140 1.341 25657 3448 1 9 . 1 1 543 543 THR CB C 543 68.481 68.481 68.483 -0.002 25657 3449 1 9 . 1 1 543 543 THR H H 543 8.047 8.047 7.728 0.319 25657 3450 1 9 . 1 1 544 544 THR N N 544 117.176 117.176 116.512 0.664 25657 3451 1 9 . 1 1 544 544 THR HA H 544 3.749 3.749 3.990 -0.241 25657 3452 1 9 . 1 1 544 544 THR CA C 544 66.692 66.692 66.549 0.143 25657 3453 1 9 . 1 1 544 544 THR CB C 544 68.736 68.736 68.715 0.021 25657 3454 1 9 . 1 1 544 544 THR H H 544 8.240 8.240 8.036 0.204 25657 3455 1 9 . 1 1 545 545 SER N N 545 117.103 117.103 118.148 -1.045 25657 3456 1 9 . 1 1 545 545 SER HA H 545 4.165 4.165 4.375 -0.210 25657 3457 1 9 . 1 1 545 545 SER CA C 545 62.348 62.348 61.091 1.257 25657 3458 1 9 . 1 1 545 545 SER CB C 545 62.348 62.348 63.025 -0.677 25657 3459 1 9 . 1 1 545 545 SER H H 545 7.407 7.407 7.375 0.032 25657 3460 1 9 . 1 1 546 546 ILE N N 546 122.380 122.380 124.003 -1.623 25657 3461 1 9 . 1 1 546 546 ILE HA H 546 3.463 3.463 3.812 -0.349 25657 3462 1 9 . 1 1 546 546 ILE CA C 546 66.242 66.242 64.815 1.427 25657 3463 1 9 . 1 1 546 546 ILE CB C 546 38.328 38.328 37.908 0.420 25657 3464 1 9 . 1 1 546 546 ILE H H 546 7.830 7.830 8.538 -0.708 25657 3465 1 9 . 1 1 547 547 MET N N 547 117.942 117.942 118.930 -0.988 25657 3466 1 9 . 1 1 547 547 MET HA H 547 4.498 4.498 3.902 0.596 25657 3467 1 9 . 1 1 547 547 MET CA C 547 56.982 56.982 59.330 -2.348 25657 3468 1 9 . 1 1 547 547 MET CB C 547 30.197 30.197 32.174 -1.977 25657 3469 1 9 . 1 1 547 547 MET H H 547 8.524 8.524 8.519 0.005 25657 3470 1 9 . 1 1 548 548 ASP N N 548 119.475 119.475 119.688 -0.213 25657 3471 1 9 . 1 1 548 548 ASP HA H 548 4.497 4.497 4.209 0.288 25657 3472 1 9 . 1 1 548 548 ASP CA C 548 57.493 57.493 57.579 -0.086 25657 3473 1 9 . 1 1 548 548 ASP CB C 548 39.350 39.350 40.184 -0.834 25657 3474 1 9 . 1 1 548 548 ASP H H 548 8.820 8.820 7.868 0.952 25657 3475 1 9 . 1 1 549 549 ASN N N 549 116.905 116.905 118.260 -1.355 25657 3476 1 9 . 1 1 549 549 ASN HA H 549 4.141 4.141 4.588 -0.447 25657 3477 1 9 . 1 1 549 549 ASN CA C 549 57.493 57.493 56.116 1.377 25657 3478 1 9 . 1 1 549 549 ASN CB C 549 41.139 41.139 38.543 2.596 25657 3479 1 9 . 1 1 549 549 ASN H H 549 7.443 7.443 7.919 -0.476 25657 3480 1 9 . 1 1 550 550 PHE N N 550 115.303 115.303 118.971 -3.668 25657 3481 1 9 . 1 1 550 550 PHE HA H 550 4.384 4.384 4.251 0.133 25657 3482 1 9 . 1 1 550 550 PHE CA C 550 60.815 60.815 61.035 -0.220 25657 3483 1 9 . 1 1 550 550 PHE CB C 550 39.409 39.409 38.753 0.656 25657 3484 1 9 . 1 1 550 550 PHE H H 550 7.283 7.283 7.947 -0.664 25657 3485 1 9 . 1 1 551 551 LEU N N 551 117.577 117.577 117.706 -0.129 25657 3486 1 9 . 1 1 551 551 LEU HA H 551 4.313 4.313 4.052 0.261 25657 3487 1 9 . 1 1 551 551 LEU CA C 551 56.471 56.471 57.150 -0.679 25657 3488 1 9 . 1 1 551 551 LEU CB C 551 43.183 43.183 41.772 1.411 25657 3489 1 9 . 1 1 551 551 LEU H H 551 8.274 8.274 7.916 0.358 25657 3490 1 9 . 1 1 552 552 GLU N N 552 115.846 115.846 117.894 -2.048 25657 3491 1 9 . 1 1 552 552 GLU HA H 552 3.942 3.942 4.119 -0.177 25657 3492 1 9 . 1 1 552 552 GLU CA C 552 59.282 59.282 57.683 1.599 25657 3493 1 9 . 1 1 552 552 GLU CB C 552 29.103 29.103 30.264 -1.161 25657 3494 1 9 . 1 1 552 552 GLU H H 552 8.161 8.161 7.731 0.430 25657 3495 1 9 . 1 1 553 553 ARG N N 553 116.743 116.743 118.630 -1.887 25657 3496 1 9 . 1 1 553 553 ARG HA H 553 4.574 4.574 4.021 0.553 25657 3497 1 9 . 1 1 553 553 ARG CA C 553 55.960 55.960 56.496 -0.536 25657 3498 1 9 . 1 1 553 553 ARG CB C 553 30.662 30.662 29.330 1.332 25657 3499 1 9 . 1 1 553 553 ARG H H 553 6.884 6.884 8.369 -1.485 25657 3500 1 9 . 1 1 554 554 THR N N 554 110.707 110.707 117.512 -6.805 25657 3501 1 9 . 1 1 554 554 THR HA H 554 4.389 4.389 4.264 0.125 25657 3502 1 9 . 1 1 554 554 THR CA C 554 61.070 61.070 62.975 -1.905 25657 3503 1 9 . 1 1 554 554 THR CB C 554 71.292 71.292 69.658 1.634 25657 3504 1 9 . 1 1 554 554 THR H H 554 8.620 8.620 8.168 0.452 25657 3505 1 9 . 1 1 555 555 ALA N N 555 122.620 122.620 125.150 -2.530 25657 3506 1 9 . 1 1 555 555 ALA HA H 555 4.096 4.096 4.027 0.069 25657 3507 1 9 . 1 1 555 555 ALA CA C 555 55.354 55.354 54.612 0.742 25657 3508 1 9 . 1 1 555 555 ALA CB C 555 18.127 18.127 18.144 -0.017 25657 3509 1 9 . 1 1 555 555 ALA H H 555 8.682 8.682 8.790 -0.108 25657 3510 1 9 . 1 1 556 556 ILE N N 556 114.464 114.464 120.547 -6.083 25657 3511 1 9 . 1 1 556 556 ILE HA H 556 3.889 3.889 3.632 0.257 25657 3512 1 9 . 1 1 556 556 ILE CA C 556 63.370 63.370 62.646 0.724 25657 3513 1 9 . 1 1 556 556 ILE CB C 556 38.073 38.073 37.361 0.713 25657 3514 1 9 . 1 1 556 556 ILE H H 556 7.702 7.702 8.037 -0.335 25657 3515 1 9 . 1 1 557 557 GLU N N 557 121.301 121.301 120.752 0.549 25657 3516 1 9 . 1 1 557 557 GLU HA H 557 4.256 4.256 4.313 -0.057 25657 3517 1 9 . 1 1 557 557 GLU CA C 557 58.771 58.771 58.691 0.080 25657 3518 1 9 . 1 1 557 557 GLU CB C 557 31.316 31.316 29.104 2.212 25657 3519 1 9 . 1 1 557 557 GLU H H 557 7.545 7.545 7.969 -0.424 25657 3520 1 9 . 1 1 558 558 LEU N N 558 118.899 118.899 116.837 2.062 25657 3521 1 9 . 1 1 558 558 LEU HA H 558 4.062 4.062 3.992 0.070 25657 3522 1 9 . 1 1 558 558 LEU CA C 558 58.004 58.004 56.900 1.104 25657 3523 1 9 . 1 1 558 558 LEU CB C 558 42.417 42.417 41.495 0.922 25657 3524 1 9 . 1 1 558 558 LEU H H 558 7.829 7.829 7.840 -0.011 25657 3525 1 9 . 1 1 562 562 TRP HA H 562 4.366 4.366 4.515 -0.149 25657 3526 1 9 . 1 1 562 562 TRP CA C 562 59.793 59.793 58.397 1.396 25657 3527 1 9 . 1 1 562 562 TRP CB C 562 28.874 28.874 28.258 0.616 25657 3528 1 9 . 1 1 563 563 VAL HA H 563 3.659 3.659 2.841 0.818 25657 3529 1 9 . 1 1 563 563 VAL CA C 563 65.926 65.926 64.753 1.173 25657 3530 1 9 . 1 1 563 563 VAL CB C 563 31.429 31.429 31.215 0.214 25657 3531 1 9 . 1 1 564 564 ARG HA H 564 4.273 4.273 4.009 0.264 25657 3532 1 9 . 1 1 564 564 ARG CA C 564 56.982 56.982 59.675 -2.693 25657 3533 1 9 . 1 1 564 564 ARG CB C 564 30.151 30.151 29.989 0.161 25657 3534 1 9 . 1 1 566 566 LEU HA H 566 4.057 4.057 3.969 0.088 25657 3535 1 9 . 1 1 566 566 LEU CA C 566 57.749 57.749 58.417 -0.668 25657 3536 1 9 . 1 1 566 566 LEU CB C 566 41.139 41.139 41.621 -0.482 25657 3537 1 9 . 1 1 567 567 ALA HA H 567 4.004 4.004 4.045 -0.041 25657 3538 1 9 . 1 1 567 567 ALA CA C 567 54.427 54.427 54.950 -0.523 25657 3539 1 9 . 1 1 567 567 ALA CB C 567 19.419 19.419 18.082 1.337 25657 3540 1 9 . 1 1 569 569 ALA N N 569 123.940 123.940 121.961 1.979 25657 3541 1 9 . 1 1 569 569 ALA HA H 569 3.741 3.741 3.919 -0.178 25657 3542 1 9 . 1 1 569 569 ALA CB C 569 17.725 17.725 18.277 -0.552 25657 3543 1 9 . 1 1 570 570 LEU N N 570 117.193 117.193 117.119 0.074 25657 3544 1 9 . 1 1 570 570 LEU HA H 570 4.039 4.039 4.111 -0.072 25657 3545 1 9 . 1 1 570 570 LEU CA C 570 57.749 57.749 56.627 1.122 25657 3546 1 9 . 1 1 570 570 LEU CB C 570 41.906 41.906 41.632 0.274 25657 3547 1 9 . 1 1 570 570 LEU H H 570 7.636 7.636 7.748 -0.112 25657 3548 1 9 . 1 1 573 573 LEU N N 573 123.340 123.340 122.120 1.220 25657 3549 1 9 . 1 1 573 573 LEU HA H 573 4.150 4.150 3.995 0.155 25657 3550 1 9 . 1 1 573 573 LEU CA C 573 57.757 57.757 58.410 -0.653 25657 3551 1 9 . 1 1 573 573 LEU CB C 573 42.417 42.417 42.055 0.362 25657 3552 1 9 . 1 1 573 573 LEU H H 573 8.510 8.510 7.931 0.579 25657 3553 1 9 . 1 1 574 574 TYR N N 574 114.647 114.647 115.124 -0.477 25657 3554 1 9 . 1 1 574 574 TYR H H 574 7.510 7.510 7.696 -0.186 25657 3555 1 9 . 1 1 575 575 MET N N 575 123.163 123.163 117.740 5.423 25657 3556 1 9 . 1 1 575 575 MET HA H 575 4.363 4.363 3.989 0.374 25657 3557 1 9 . 1 1 575 575 MET CA C 575 55.449 55.449 58.257 -2.808 25657 3558 1 9 . 1 1 575 575 MET CB C 575 29.385 29.385 31.700 -2.315 25657 3559 1 9 . 1 1 575 575 MET H H 575 7.209 7.209 8.202 -0.993 25657 3560 1 9 . 1 1 579 579 GLU N N 579 123.708 123.708 123.032 0.676 25657 3561 1 9 . 1 1 579 579 GLU HA H 579 4.402 4.402 3.658 0.744 25657 3562 1 9 . 1 1 579 579 GLU CA C 579 57.749 57.749 59.087 -1.337 25657 3563 1 9 . 1 1 579 579 GLU CB C 579 29.193 29.193 29.407 -0.214 25657 3564 1 9 . 1 1 579 579 GLU H H 579 8.893 8.893 9.040 -0.147 25657 3565 1 9 . 1 1 580 580 GLN N N 580 119.901 119.901 118.569 1.332 25657 3566 1 9 . 1 1 580 580 GLN HA H 580 4.231 4.231 4.103 0.128 25657 3567 1 9 . 1 1 580 580 GLN CA C 580 58.200 58.200 58.680 -0.480 25657 3568 1 9 . 1 1 580 580 GLN CB C 580 29.385 29.385 28.365 1.020 25657 3569 1 9 . 1 1 580 580 GLN H H 580 7.768 7.768 8.422 -0.654 25657 3570 1 9 . 1 1 581 581 VAL N N 581 118.005 118.005 119.363 -1.358 25657 3571 1 9 . 1 1 581 581 VAL HA H 581 3.786 3.786 3.835 -0.049 25657 3572 1 9 . 1 1 581 581 VAL CA C 581 61.326 61.326 66.779 -5.453 25657 3573 1 9 . 1 1 581 581 VAL CB C 581 34.495 34.495 31.232 3.263 25657 3574 1 9 . 1 1 581 581 VAL H H 581 8.874 8.874 8.372 0.502 25657 3575 1 9 . 1 1 582 582 ASP N N 582 123.700 123.700 120.206 3.494 25657 3576 1 9 . 1 1 582 582 ASP HA H 582 4.161 4.161 4.300 -0.139 25657 3577 1 9 . 1 1 582 582 ASP CA C 582 58.260 58.260 57.669 0.591 25657 3578 1 9 . 1 1 582 582 ASP CB C 582 39.355 39.355 40.799 -1.444 25657 3579 1 9 . 1 1 582 582 ASP H H 582 7.604 7.604 7.609 -0.005 25657 3580 1 9 . 1 1 583 583 ASP N N 583 119.292 119.292 119.849 -0.557 25657 3581 1 9 . 1 1 583 583 ASP HA H 583 4.546 4.546 4.426 0.120 25657 3582 1 9 . 1 1 583 583 ASP CA C 583 54.938 54.938 57.032 -2.094 25657 3583 1 9 . 1 1 583 583 ASP CB C 583 40.628 40.628 40.930 -0.302 25657 3584 1 9 . 1 1 583 583 ASP H H 583 8.376 8.376 7.664 0.712 25657 3585 1 9 . 1 1 584 584 VAL N N 584 121.900 121.900 120.169 1.731 25657 3586 1 9 . 1 1 584 584 VAL HA H 584 3.727 3.727 3.582 0.145 25657 3587 1 9 . 1 1 584 584 VAL CA C 584 65.159 65.159 66.722 -1.563 25657 3588 1 9 . 1 1 584 584 VAL CB C 584 31.429 31.429 31.751 -0.322 25657 3589 1 9 . 1 1 584 584 VAL H H 584 7.732 7.732 7.550 0.182 25657 3590 1 9 . 1 1 585 585 LEU N N 585 119.481 119.481 119.015 0.466 25657 3591 1 9 . 1 1 585 585 LEU HA H 585 3.879 3.879 3.988 -0.109 25657 3592 1 9 . 1 1 585 585 LEU CA C 585 57.493 57.493 58.117 -0.624 25657 3593 1 9 . 1 1 585 585 LEU CB C 585 40.628 40.628 41.653 -1.025 25657 3594 1 9 . 1 1 585 585 LEU H H 585 8.018 8.018 8.580 -0.562 25657 3595 1 9 . 1 1 586 586 GLU N N 586 118.081 118.081 118.932 -0.851 25657 3596 1 9 . 1 1 586 586 GLU HA H 586 4.283 4.283 4.053 0.230 25657 3597 1 9 . 1 1 586 586 GLU CA C 586 55.704 55.704 59.553 -3.849 25657 3598 1 9 . 1 1 586 586 GLU CB C 586 29.129 29.129 29.326 -0.197 25657 3599 1 9 . 1 1 586 586 GLU H H 586 7.729 7.729 7.639 0.090 25657 3600 1 9 . 1 1 587 587 THR HA H 587 3.882 3.882 4.004 -0.122 25657 3601 1 9 . 1 1 587 587 THR CA C 587 66.400 66.400 67.062 -0.662 25657 3602 1 9 . 1 1 587 587 THR CB C 587 68.288 68.288 68.791 -0.503 25657 3603 1 9 . 1 1 588 588 ILE HA H 588 3.484 3.484 3.685 -0.201 25657 3604 1 9 . 1 1 588 588 ILE CA C 588 64.025 64.025 65.336 -1.311 25657 3605 1 9 . 1 1 588 588 ILE CB C 588 37.562 37.562 37.758 -0.196 25657 3606 1 9 . 1 1 589 589 SER HA H 589 4.403 4.403 4.054 0.349 25657 3607 1 9 . 1 1 589 589 SER CA C 589 58.477 58.477 61.729 -3.252 25657 3608 1 9 . 1 1 589 589 SER CB C 589 63.314 63.314 63.244 0.070 25657 3609 1 9 . 1 1 590 590 ALA N N 590 121.916 121.916 122.727 -0.811 25657 3610 1 9 . 1 1 590 590 ALA HA H 590 4.329 4.329 4.129 0.200 25657 3611 1 9 . 1 1 590 590 ALA CA C 590 51.871 51.871 54.228 -2.357 25657 3612 1 9 . 1 1 590 590 ALA CB C 590 19.324 19.324 19.144 0.180 25657 3613 1 9 . 1 1 590 590 ALA H H 590 7.097 7.097 7.568 -0.471 25657 3614 1 9 . 1 1 591 591 ILE N N 591 119.802 119.802 119.165 0.637 25657 3615 1 9 . 1 1 591 591 ILE HA H 591 4.175 4.175 4.213 -0.038 25657 3616 1 9 . 1 1 591 591 ILE CA C 591 61.070 61.070 60.724 0.346 25657 3617 1 9 . 1 1 591 591 ILE CB C 591 38.584 38.584 38.107 0.477 25657 3618 1 9 . 1 1 591 591 ILE H H 591 7.990 7.990 7.514 0.476 25657 3619 1 9 . 1 1 593 593 HIS HA H 593 4.874 4.874 4.974 -0.100 25657 3620 1 9 . 1 1 593 593 HIS CA C 593 53.660 53.660 53.375 0.285 25657 3621 1 9 . 1 1 593 593 HIS CB C 593 30.094 30.094 30.831 -0.737 25657 3622 1 9 . 1 1 594 594 PRO HA H 594 4.325 4.325 4.227 0.098 25657 3623 1 9 . 1 1 594 594 PRO CA C 594 63.355 63.355 65.492 -2.137 25657 3624 1 9 . 1 1 594 594 PRO CB C 594 31.940 31.940 31.940 -0.000 25657 3625 1 9 . 1 1 595 595 MET N N 595 120.044 120.044 116.699 3.345 25657 3626 1 9 . 1 1 595 595 MET H H 595 8.232 8.232 8.372 -0.140 25657 3627 1 9 . 1 1 596 596 THR HA H 596 3.558 3.558 3.915 -0.357 25657 3628 1 9 . 1 1 596 596 THR CA C 596 68.481 68.481 66.924 1.557 25657 3629 1 9 . 1 1 596 596 THR CB C 596 68.225 68.225 68.303 -0.078 25657 3630 1 9 . 1 1 597 597 SER HA H 597 3.998 3.998 4.077 -0.079 25657 3631 1 9 . 1 1 597 597 SER CA C 597 61.070 61.070 62.135 -1.065 25657 3632 1 9 . 1 1 597 597 SER CB C 597 62.859 62.859 62.739 0.120 25657 3633 1 9 . 1 1 598 598 ALA HA H 598 4.136 4.136 4.090 0.046 25657 3634 1 9 . 1 1 598 598 ALA CA C 598 54.171 54.171 54.906 -0.735 25657 3635 1 9 . 1 1 598 598 ALA CB C 598 18.141 18.141 18.199 -0.058 25657 3636 1 9 . 1 1 599 599 ILE HA H 599 3.456 3.456 3.628 -0.172 25657 3637 1 9 . 1 1 599 599 ILE CA C 599 66.181 66.181 65.052 1.129 25657 3638 1 9 . 1 1 599 599 ILE CB C 599 37.802 37.802 37.852 -0.050 25657 3639 1 9 . 1 1 600 600 GLU HA H 600 3.658 3.658 3.985 -0.327 25657 3640 1 9 . 1 1 600 600 GLU CA C 600 60.048 60.048 60.104 -0.056 25657 3641 1 9 . 1 1 600 600 GLU CB C 600 29.385 29.385 29.752 -0.367 25657 3642 1 9 . 1 1 601 601 VAL HA H 601 3.735 3.735 3.721 0.014 25657 3643 1 9 . 1 1 601 601 VAL CA C 601 65.926 65.926 66.585 -0.659 25657 3644 1 9 . 1 1 601 601 VAL CB C 601 31.684 31.684 31.696 -0.012 25657 3645 1 9 . 1 1 603 603 VAL HA H 603 3.734 3.734 3.863 -0.129 25657 3646 1 9 . 1 1 603 603 VAL CA C 603 65.415 65.415 64.949 0.466 25657 3647 1 9 . 1 1 603 603 VAL CB C 603 31.684 31.684 31.712 -0.028 25657 3648 1 9 . 1 1 604 604 GLY CA C 604 47.272 47.272 45.298 1.974 25657 3649 1 9 . 1 1 606 606 CYS HA H 606 4.827 4.827 4.247 0.580 25657 3650 1 9 . 1 1 606 606 CYS CA C 606 54.938 54.938 59.365 -4.427 25657 3651 1 9 . 1 1 606 606 CYS CB C 606 33.218 33.218 25.411 7.807 25657 3652 1 9 . 1 1 607 607 ALA HA H 607 4.652 4.652 4.634 0.018 25657 3653 1 9 . 1 1 607 607 ALA CA C 607 54.682 54.682 51.421 3.261 25657 3654 1 9 . 1 1 607 607 ALA CB C 607 19.419 19.419 19.745 -0.326 25657 3655 1 10 . 1 1 484 484 LYS HA H 484 4.551 4.551 4.371 0.180 25657 3656 1 10 . 1 1 484 484 LYS CA C 484 55.960 55.960 56.221 -0.262 25657 3657 1 10 . 1 1 484 484 LYS CB C 484 32.962 32.962 33.221 -0.259 25657 3658 1 10 . 1 1 488 488 ALA HA H 488 3.926 3.926 4.261 -0.335 25657 3659 1 10 . 1 1 488 488 ALA CA C 488 54.682 54.682 54.256 0.426 25657 3660 1 10 . 1 1 488 488 ALA CB C 488 18.652 18.652 18.179 0.473 25657 3661 1 10 . 1 1 489 489 ALA HA H 489 3.910 3.910 4.066 -0.156 25657 3662 1 10 . 1 1 489 489 ALA CA C 489 54.563 54.563 55.065 -0.502 25657 3663 1 10 . 1 1 489 489 ALA CB C 489 18.733 18.733 18.292 0.441 25657 3664 1 10 . 1 1 490 490 ILE HA H 490 4.120 4.120 3.893 0.227 25657 3665 1 10 . 1 1 490 490 ILE CA C 490 61.752 61.752 62.517 -0.766 25657 3666 1 10 . 1 1 490 490 ILE CB C 490 38.584 38.584 36.465 2.119 25657 3667 1 10 . 1 1 493 493 LEU HA H 493 4.293 4.293 4.068 0.225 25657 3668 1 10 . 1 1 493 493 LEU CA C 493 55.121 55.121 55.670 -0.549 25657 3669 1 10 . 1 1 493 493 LEU CB C 493 42.180 42.180 41.596 0.584 25657 3670 1 10 . 1 1 494 494 GLY CA C 494 47.527 47.527 47.154 0.373 25657 3671 1 10 . 1 1 496 496 ALA HA H 496 4.034 4.034 4.185 -0.151 25657 3672 1 10 . 1 1 496 496 ALA CA C 496 55.704 55.704 54.464 1.240 25657 3673 1 10 . 1 1 496 496 ALA CB C 496 19.830 19.830 17.838 1.992 25657 3674 1 10 . 1 1 497 497 PHE HA H 497 4.621 4.621 4.197 0.424 25657 3675 1 10 . 1 1 497 497 PHE CA C 497 57.493 57.493 59.054 -1.561 25657 3676 1 10 . 1 1 497 497 PHE CB C 497 38.584 38.584 37.933 0.651 25657 3677 1 10 . 1 1 498 498 ALA HA H 498 3.822 3.822 3.932 -0.110 25657 3678 1 10 . 1 1 498 498 ALA CA C 498 54.735 54.735 54.560 0.175 25657 3679 1 10 . 1 1 498 498 ALA CB C 498 18.397 18.397 17.743 0.654 25657 3680 1 10 . 1 1 500 500 SER N N 500 113.984 113.984 116.507 -2.523 25657 3681 1 10 . 1 1 500 500 SER HA H 500 4.200 4.200 4.340 -0.140 25657 3682 1 10 . 1 1 500 500 SER CA C 500 60.559 60.559 60.728 -0.169 25657 3683 1 10 . 1 1 500 500 SER CB C 500 65.159 65.159 62.989 2.170 25657 3684 1 10 . 1 1 500 500 SER H H 500 8.124 8.124 8.511 -0.387 25657 3685 1 10 . 1 1 501 501 LYS N N 501 118.485 118.485 119.039 -0.554 25657 3686 1 10 . 1 1 501 501 LYS HA H 501 4.276 4.276 4.247 0.029 25657 3687 1 10 . 1 1 501 501 LYS CA C 501 55.960 55.960 55.887 0.073 25657 3688 1 10 . 1 1 501 501 LYS H H 501 8.419 8.419 7.579 0.840 25657 3689 1 10 . 1 1 502 502 ASN N N 502 115.874 115.874 115.993 -0.119 25657 3690 1 10 . 1 1 502 502 ASN HA H 502 4.275 4.275 4.972 -0.697 25657 3691 1 10 . 1 1 502 502 ASN CA C 502 55.449 55.449 51.669 3.780 25657 3692 1 10 . 1 1 502 502 ASN CB C 502 39.861 39.861 40.960 -1.099 25657 3693 1 10 . 1 1 502 502 ASN H H 502 6.247 6.247 7.716 -1.469 25657 3694 1 10 . 1 1 503 503 ASP N N 503 127.293 127.293 118.453 8.840 25657 3695 1 10 . 1 1 503 503 ASP HA H 503 4.551 4.551 4.454 0.097 25657 3696 1 10 . 1 1 503 503 ASP CA C 503 56.982 56.982 56.033 0.949 25657 3697 1 10 . 1 1 503 503 ASP CB C 503 41.395 41.395 41.286 0.109 25657 3698 1 10 . 1 1 503 503 ASP H H 503 8.734 8.734 8.843 -0.109 25657 3699 1 10 . 1 1 504 504 GLU N N 504 123.432 123.432 120.567 2.865 25657 3700 1 10 . 1 1 504 504 GLU HA H 504 4.094 4.094 4.223 -0.129 25657 3701 1 10 . 1 1 504 504 GLU CA C 504 59.282 59.282 58.759 0.523 25657 3702 1 10 . 1 1 504 504 GLU CB C 504 28.618 28.618 29.977 -1.359 25657 3703 1 10 . 1 1 504 504 GLU H H 504 8.208 8.208 8.002 0.206 25657 3704 1 10 . 1 1 505 505 VAL N N 505 121.171 121.171 120.884 0.287 25657 3705 1 10 . 1 1 505 505 VAL HA H 505 3.284 3.284 3.899 -0.615 25657 3706 1 10 . 1 1 505 505 VAL CA C 505 66.547 66.547 66.586 -0.039 25657 3707 1 10 . 1 1 505 505 VAL CB C 505 30.918 30.918 32.061 -1.143 25657 3708 1 10 . 1 1 505 505 VAL H H 505 8.343 8.343 9.271 -0.928 25657 3709 1 10 . 1 1 506 506 LEU N N 506 120.468 120.468 120.148 0.320 25657 3710 1 10 . 1 1 506 506 LEU HA H 506 3.956 3.956 3.989 -0.033 25657 3711 1 10 . 1 1 506 506 LEU CA C 506 58.667 58.667 58.050 0.617 25657 3712 1 10 . 1 1 506 506 LEU CB C 506 41.139 41.139 41.605 -0.466 25657 3713 1 10 . 1 1 506 506 LEU H H 506 7.677 7.677 7.577 0.100 25657 3714 1 10 . 1 1 507 507 GLY N N 507 102.846 102.846 104.624 -1.778 25657 3715 1 10 . 1 1 507 507 GLY CA C 507 46.428 46.428 46.321 0.107 25657 3716 1 10 . 1 1 507 507 GLY H H 507 7.864 7.864 7.615 0.249 25657 3717 1 10 . 1 1 508 508 LEU N N 508 119.101 119.101 121.190 -2.089 25657 3718 1 10 . 1 1 508 508 LEU HA H 508 4.209 4.209 4.454 -0.245 25657 3719 1 10 . 1 1 508 508 LEU CA C 508 56.471 56.471 56.503 -0.032 25657 3720 1 10 . 1 1 508 508 LEU CB C 508 43.362 43.362 42.592 0.770 25657 3721 1 10 . 1 1 508 508 LEU H H 508 7.368 7.368 7.362 0.005 25657 3722 1 10 . 1 1 509 509 LEU N N 509 112.199 112.199 119.332 -7.133 25657 3723 1 10 . 1 1 509 509 LEU HA H 509 4.387 4.387 3.960 0.427 25657 3724 1 10 . 1 1 509 509 LEU CA C 509 55.073 55.073 58.305 -3.232 25657 3725 1 10 . 1 1 509 509 LEU CB C 509 42.111 42.111 40.970 1.141 25657 3726 1 10 . 1 1 509 509 LEU H H 509 8.043 8.043 7.916 0.127 25657 3727 1 10 . 1 1 510 510 LEU N N 510 124.597 124.597 119.896 4.701 25657 3728 1 10 . 1 1 510 510 LEU HA H 510 3.986 3.986 4.085 -0.099 25657 3729 1 10 . 1 1 510 510 LEU CA C 510 59.537 59.537 60.485 -0.948 25657 3730 1 10 . 1 1 510 510 LEU CB C 510 38.809 38.809 38.424 0.385 25657 3731 1 10 . 1 1 510 510 LEU H H 510 9.023 9.023 7.545 1.478 25657 3732 1 10 . 1 1 511 511 PRO HA H 511 4.188 4.188 4.136 0.052 25657 3733 1 10 . 1 1 511 511 PRO CA C 511 65.159 65.159 65.854 -0.695 25657 3734 1 10 . 1 1 511 511 PRO CB C 511 31.173 31.173 31.066 0.107 25657 3735 1 10 . 1 1 512 512 ILE N N 512 116.144 116.144 112.809 3.335 25657 3736 1 10 . 1 1 512 512 ILE HA H 512 3.555 3.555 3.858 -0.303 25657 3737 1 10 . 1 1 512 512 ILE CA C 512 63.626 63.626 63.527 0.099 25657 3738 1 10 . 1 1 512 512 ILE CB C 512 37.562 37.562 37.600 -0.038 25657 3739 1 10 . 1 1 512 512 ILE H H 512 6.740 6.740 7.545 -0.805 25657 3740 1 10 . 1 1 513 513 ALA N N 513 120.058 120.058 124.420 -4.362 25657 3741 1 10 . 1 1 513 513 ALA HA H 513 4.001 4.001 4.171 -0.170 25657 3742 1 10 . 1 1 513 513 ALA CA C 513 54.684 54.684 53.963 0.721 25657 3743 1 10 . 1 1 513 513 ALA CB C 513 17.961 17.961 18.808 -0.848 25657 3744 1 10 . 1 1 513 513 ALA H H 513 7.742 7.742 7.755 -0.013 25657 3745 1 10 . 1 1 514 514 ALA N N 514 112.305 112.305 120.075 -7.770 25657 3746 1 10 . 1 1 514 514 ALA HA H 514 4.043 4.043 4.360 -0.317 25657 3747 1 10 . 1 1 514 514 ALA CA C 514 51.908 51.908 52.004 -0.096 25657 3748 1 10 . 1 1 514 514 ALA CB C 514 19.430 19.430 18.208 1.222 25657 3749 1 10 . 1 1 514 514 ALA H H 514 7.900 7.900 8.111 -0.211 25657 3750 1 10 . 1 1 515 515 SER N N 515 113.093 113.093 115.524 -2.431 25657 3751 1 10 . 1 1 515 515 SER HA H 515 4.372 4.372 4.599 -0.227 25657 3752 1 10 . 1 1 515 515 SER CA C 515 57.781 57.781 56.863 0.918 25657 3753 1 10 . 1 1 515 515 SER CB C 515 63.115 63.115 63.397 -0.281 25657 3754 1 10 . 1 1 515 515 SER H H 515 7.103 7.103 7.327 -0.224 25657 3755 1 10 . 1 1 516 516 THR N N 516 115.846 115.846 118.858 -3.012 25657 3756 1 10 . 1 1 516 516 THR HA H 516 4.187 4.187 4.067 0.120 25657 3757 1 10 . 1 1 516 516 THR CA C 516 62.093 62.093 64.200 -2.107 25657 3758 1 10 . 1 1 516 516 THR CB C 516 67.714 67.714 68.331 -0.617 25657 3759 1 10 . 1 1 516 516 THR H H 516 8.161 8.161 8.662 -0.501 25657 3760 1 10 . 1 1 517 517 ASP N N 517 118.302 118.302 120.668 -2.366 25657 3761 1 10 . 1 1 517 517 ASP HA H 517 4.574 4.574 4.414 0.160 25657 3762 1 10 . 1 1 517 517 ASP CA C 517 54.171 54.171 56.084 -1.913 25657 3763 1 10 . 1 1 517 517 ASP CB C 517 41.139 41.139 40.807 0.332 25657 3764 1 10 . 1 1 517 517 ASP H H 517 8.295 8.295 8.402 -0.107 25657 3765 1 10 . 1 1 518 518 LEU N N 518 121.136 121.136 115.120 6.016 25657 3766 1 10 . 1 1 518 518 LEU HA H 518 4.531 4.531 4.897 -0.366 25657 3767 1 10 . 1 1 518 518 LEU CA C 518 53.050 53.050 51.379 1.671 25657 3768 1 10 . 1 1 518 518 LEU CB C 518 40.884 40.884 42.511 -1.627 25657 3769 1 10 . 1 1 518 518 LEU H H 518 7.150 7.150 7.471 -0.321 25657 3770 1 10 . 1 1 519 519 PRO HA H 519 4.385 4.385 4.365 0.020 25657 3771 1 10 . 1 1 519 519 PRO CA C 519 63.115 63.115 63.134 -0.019 25657 3772 1 10 . 1 1 519 519 PRO CB C 519 32.195 32.195 31.983 0.212 25657 3773 1 10 . 1 1 520 520 ILE N N 520 121.919 121.919 118.383 3.536 25657 3774 1 10 . 1 1 520 520 ILE HA H 520 3.760 3.760 3.897 -0.137 25657 3775 1 10 . 1 1 520 520 ILE CA C 520 63.881 63.881 63.385 0.496 25657 3776 1 10 . 1 1 520 520 ILE CB C 520 37.817 37.817 37.889 -0.072 25657 3777 1 10 . 1 1 520 520 ILE H H 520 8.655 8.655 8.584 0.071 25657 3778 1 10 . 1 1 522 522 THR N N 522 114.698 114.698 115.918 -1.220 25657 3779 1 10 . 1 1 522 522 THR HA H 522 3.647 3.647 4.184 -0.537 25657 3780 1 10 . 1 1 522 522 THR CA C 522 65.670 65.670 65.461 0.209 25657 3781 1 10 . 1 1 522 522 THR CB C 522 68.481 68.481 68.759 -0.278 25657 3782 1 10 . 1 1 522 522 THR H H 522 6.636 6.636 7.443 -0.807 25657 3783 1 10 . 1 1 523 523 ALA N N 523 122.860 122.860 124.646 -1.786 25657 3784 1 10 . 1 1 523 523 ALA HA H 523 3.940 3.940 3.881 0.059 25657 3785 1 10 . 1 1 523 523 ALA CA C 523 55.415 55.415 55.250 0.165 25657 3786 1 10 . 1 1 523 523 ALA CB C 523 18.392 18.392 18.160 0.232 25657 3787 1 10 . 1 1 523 523 ALA H H 523 7.251 7.251 7.563 -0.312 25657 3788 1 10 . 1 1 524 524 ALA N N 524 121.541 121.541 121.609 -0.068 25657 3789 1 10 . 1 1 524 524 ALA HA H 524 3.933 3.933 4.064 -0.131 25657 3790 1 10 . 1 1 524 524 ALA CA C 524 55.193 55.193 54.930 0.263 25657 3791 1 10 . 1 1 524 524 ALA CB C 524 18.652 18.652 18.454 0.198 25657 3792 1 10 . 1 1 524 524 ALA H H 524 9.218 9.218 8.685 0.533 25657 3793 1 10 . 1 1 526 526 ALA HA H 526 3.886 3.886 3.914 -0.028 25657 3794 1 10 . 1 1 526 526 ALA CA C 526 55.544 55.544 55.498 0.046 25657 3795 1 10 . 1 1 526 526 ALA CB C 526 18.113 18.113 18.082 0.031 25657 3796 1 10 . 1 1 527 527 SER HA H 527 3.932 3.932 4.040 -0.108 25657 3797 1 10 . 1 1 527 527 SER CA C 527 60.304 60.304 61.252 -0.948 25657 3798 1 10 . 1 1 527 527 SER CB C 527 62.859 62.859 62.510 0.350 25657 3799 1 10 . 1 1 528 528 LEU HA H 528 4.030 4.030 3.853 0.177 25657 3800 1 10 . 1 1 528 528 LEU CA C 528 57.252 57.252 58.000 -0.748 25657 3801 1 10 . 1 1 528 528 LEU CB C 528 41.555 41.555 41.666 -0.111 25657 3802 1 10 . 1 1 529 529 ALA HA H 529 4.312 4.312 3.976 0.336 25657 3803 1 10 . 1 1 529 529 ALA CA C 529 52.127 52.127 54.957 -2.830 25657 3804 1 10 . 1 1 529 529 ALA CB C 529 18.908 18.908 18.315 0.593 25657 3805 1 10 . 1 1 530 530 LEU HA H 530 3.931 3.931 3.712 0.219 25657 3806 1 10 . 1 1 530 530 LEU CA C 530 57.493 57.493 57.669 -0.176 25657 3807 1 10 . 1 1 530 530 LEU CB C 530 42.161 42.161 41.792 0.369 25657 3808 1 10 . 1 1 531 531 ALA N N 531 121.603 121.603 121.090 0.513 25657 3809 1 10 . 1 1 531 531 ALA HA H 531 3.874 3.874 3.845 0.029 25657 3810 1 10 . 1 1 531 531 ALA CA C 531 55.704 55.704 55.244 0.460 25657 3811 1 10 . 1 1 531 531 ALA CB C 531 19.842 19.842 17.600 2.242 25657 3812 1 10 . 1 1 531 531 ALA H H 531 8.675 8.675 7.918 0.757 25657 3813 1 10 . 1 1 533 533 VAL HA H 533 4.073 4.073 3.774 0.299 25657 3814 1 10 . 1 1 533 533 VAL CA C 533 66.437 66.437 65.348 1.089 25657 3815 1 10 . 1 1 533 533 VAL CB C 533 31.684 31.684 32.120 -0.436 25657 3816 1 10 . 1 1 535 535 VAL N N 535 125.207 125.207 120.631 4.576 25657 3817 1 10 . 1 1 535 535 VAL HA H 535 4.047 4.047 3.655 0.392 25657 3818 1 10 . 1 1 535 535 VAL CA C 535 62.093 62.093 64.542 -2.449 25657 3819 1 10 . 1 1 535 535 VAL CB C 535 30.918 30.918 31.644 -0.726 25657 3820 1 10 . 1 1 535 535 VAL H H 535 6.624 6.624 8.386 -1.762 25657 3821 1 10 . 1 1 536 536 GLY N N 536 116.145 116.145 106.481 9.664 25657 3822 1 10 . 1 1 536 536 GLY CA C 536 45.994 45.994 45.712 0.282 25657 3823 1 10 . 1 1 536 536 GLY H H 536 7.749 7.749 7.711 0.038 25657 3824 1 10 . 1 1 537 537 THR N N 537 116.707 116.707 111.329 5.378 25657 3825 1 10 . 1 1 537 537 THR HA H 537 4.262 4.262 4.579 -0.317 25657 3826 1 10 . 1 1 537 537 THR CA C 537 62.604 62.604 60.223 2.381 25657 3827 1 10 . 1 1 537 537 THR CB C 537 72.058 72.058 70.767 1.291 25657 3828 1 10 . 1 1 537 537 THR H H 537 7.962 7.962 7.528 0.434 25657 3829 1 10 . 1 1 538 538 CYS N N 538 114.912 114.912 118.691 -3.779 25657 3830 1 10 . 1 1 538 538 CYS HA H 538 4.308 4.308 4.844 -0.536 25657 3831 1 10 . 1 1 538 538 CYS CB C 538 36.284 36.284 29.383 6.901 25657 3832 1 10 . 1 1 538 538 CYS H H 538 8.598 8.598 8.386 0.212 25657 3833 1 10 . 1 1 539 539 ASN N N 539 114.935 114.935 123.621 -8.686 25657 3834 1 10 . 1 1 539 539 ASN HA H 539 4.121 4.121 4.880 -0.759 25657 3835 1 10 . 1 1 539 539 ASN CA C 539 56.215 56.215 52.703 3.512 25657 3836 1 10 . 1 1 539 539 ASN CB C 539 40.628 40.628 41.843 -1.215 25657 3837 1 10 . 1 1 539 539 ASN H H 539 6.886 6.886 8.435 -1.549 25657 3838 1 10 . 1 1 540 540 GLY N N 540 120.207 120.207 110.259 9.948 25657 3839 1 10 . 1 1 540 540 GLY CA C 540 47.527 47.527 46.191 1.336 25657 3840 1 10 . 1 1 540 540 GLY H H 540 9.345 9.345 8.793 0.552 25657 3841 1 10 . 1 1 541 541 ASP N N 541 123.940 123.940 121.629 2.311 25657 3842 1 10 . 1 1 541 541 ASP HA H 541 4.442 4.442 4.247 0.195 25657 3843 1 10 . 1 1 541 541 ASP CA C 541 57.493 57.493 57.661 -0.168 25657 3844 1 10 . 1 1 541 541 ASP CB C 541 39.861 39.861 40.407 -0.547 25657 3845 1 10 . 1 1 541 541 ASP H H 541 7.768 7.768 8.082 -0.314 25657 3846 1 10 . 1 1 542 542 ILE N N 542 121.748 121.748 118.678 3.070 25657 3847 1 10 . 1 1 542 542 ILE HA H 542 3.423 3.423 3.510 -0.087 25657 3848 1 10 . 1 1 542 542 ILE CA C 542 64.903 64.903 65.399 -0.496 25657 3849 1 10 . 1 1 542 542 ILE CB C 542 37.562 37.562 37.751 -0.189 25657 3850 1 10 . 1 1 542 542 ILE H H 542 8.866 8.866 7.554 1.312 25657 3851 1 10 . 1 1 543 543 THR N N 543 117.103 117.103 116.148 0.955 25657 3852 1 10 . 1 1 543 543 THR HA H 543 3.535 3.535 3.999 -0.464 25657 3853 1 10 . 1 1 543 543 THR CA C 543 68.481 68.481 66.704 1.777 25657 3854 1 10 . 1 1 543 543 THR CB C 543 68.481 68.481 68.112 0.369 25657 3855 1 10 . 1 1 543 543 THR H H 543 8.047 8.047 7.891 0.156 25657 3856 1 10 . 1 1 544 544 THR N N 544 117.176 117.176 118.903 -1.727 25657 3857 1 10 . 1 1 544 544 THR HA H 544 3.749 3.749 4.008 -0.259 25657 3858 1 10 . 1 1 544 544 THR CA C 544 66.692 66.692 67.111 -0.418 25657 3859 1 10 . 1 1 544 544 THR CB C 544 68.736 68.736 68.175 0.561 25657 3860 1 10 . 1 1 544 544 THR H H 544 8.240 8.240 8.397 -0.157 25657 3861 1 10 . 1 1 545 545 SER N N 545 117.103 117.103 117.651 -0.548 25657 3862 1 10 . 1 1 545 545 SER HA H 545 4.165 4.165 4.181 -0.016 25657 3863 1 10 . 1 1 545 545 SER CA C 545 62.348 62.348 61.610 0.738 25657 3864 1 10 . 1 1 545 545 SER CB C 545 62.348 62.348 62.937 -0.589 25657 3865 1 10 . 1 1 545 545 SER H H 545 7.407 7.407 7.502 -0.095 25657 3866 1 10 . 1 1 546 546 ILE N N 546 122.380 122.380 122.382 -0.002 25657 3867 1 10 . 1 1 546 546 ILE HA H 546 3.463 3.463 3.674 -0.211 25657 3868 1 10 . 1 1 546 546 ILE CA C 546 66.242 66.242 65.420 0.822 25657 3869 1 10 . 1 1 546 546 ILE CB C 546 38.328 38.328 38.248 0.080 25657 3870 1 10 . 1 1 546 546 ILE H H 546 7.830 7.830 8.192 -0.362 25657 3871 1 10 . 1 1 547 547 MET N N 547 117.942 117.942 119.076 -1.134 25657 3872 1 10 . 1 1 547 547 MET HA H 547 4.498 4.498 4.057 0.441 25657 3873 1 10 . 1 1 547 547 MET CA C 547 56.982 56.982 58.955 -1.973 25657 3874 1 10 . 1 1 547 547 MET CB C 547 30.197 30.197 32.163 -1.966 25657 3875 1 10 . 1 1 547 547 MET H H 547 8.524 8.524 8.503 0.021 25657 3876 1 10 . 1 1 548 548 ASP N N 548 119.475 119.475 119.809 -0.334 25657 3877 1 10 . 1 1 548 548 ASP HA H 548 4.497 4.497 4.200 0.297 25657 3878 1 10 . 1 1 548 548 ASP CA C 548 57.493 57.493 57.979 -0.486 25657 3879 1 10 . 1 1 548 548 ASP CB C 548 39.350 39.350 40.709 -1.359 25657 3880 1 10 . 1 1 548 548 ASP H H 548 8.820 8.820 8.100 0.720 25657 3881 1 10 . 1 1 549 549 ASN N N 549 116.905 116.905 117.651 -0.746 25657 3882 1 10 . 1 1 549 549 ASN HA H 549 4.141 4.141 4.480 -0.339 25657 3883 1 10 . 1 1 549 549 ASN CA C 549 57.493 57.493 56.211 1.282 25657 3884 1 10 . 1 1 549 549 ASN CB C 549 41.139 41.139 38.540 2.599 25657 3885 1 10 . 1 1 549 549 ASN H H 549 7.443 7.443 7.775 -0.332 25657 3886 1 10 . 1 1 550 550 PHE N N 550 115.303 115.303 120.780 -5.477 25657 3887 1 10 . 1 1 550 550 PHE HA H 550 4.384 4.384 4.262 0.122 25657 3888 1 10 . 1 1 550 550 PHE CA C 550 60.815 60.815 61.761 -0.946 25657 3889 1 10 . 1 1 550 550 PHE CB C 550 39.409 39.409 39.127 0.282 25657 3890 1 10 . 1 1 550 550 PHE H H 550 7.283 7.283 8.074 -0.791 25657 3891 1 10 . 1 1 551 551 LEU N N 551 117.577 117.577 119.027 -1.450 25657 3892 1 10 . 1 1 551 551 LEU HA H 551 4.313 4.313 4.205 0.108 25657 3893 1 10 . 1 1 551 551 LEU CA C 551 56.471 56.471 57.149 -0.678 25657 3894 1 10 . 1 1 551 551 LEU CB C 551 43.183 43.183 41.973 1.210 25657 3895 1 10 . 1 1 551 551 LEU H H 551 8.274 8.274 8.032 0.242 25657 3896 1 10 . 1 1 552 552 GLU N N 552 115.846 115.846 118.096 -2.250 25657 3897 1 10 . 1 1 552 552 GLU HA H 552 3.942 3.942 4.016 -0.074 25657 3898 1 10 . 1 1 552 552 GLU CA C 552 59.282 59.282 58.129 1.153 25657 3899 1 10 . 1 1 552 552 GLU CB C 552 29.103 29.103 30.075 -0.972 25657 3900 1 10 . 1 1 552 552 GLU H H 552 8.161 8.161 7.610 0.551 25657 3901 1 10 . 1 1 553 553 ARG N N 553 116.743 116.743 119.275 -2.532 25657 3902 1 10 . 1 1 553 553 ARG HA H 553 4.574 4.574 4.014 0.560 25657 3903 1 10 . 1 1 553 553 ARG CA C 553 55.960 55.960 56.241 -0.281 25657 3904 1 10 . 1 1 553 553 ARG CB C 553 30.662 30.662 29.847 0.815 25657 3905 1 10 . 1 1 553 553 ARG H H 553 6.884 6.884 8.251 -1.367 25657 3906 1 10 . 1 1 554 554 THR N N 554 110.707 110.707 115.730 -5.023 25657 3907 1 10 . 1 1 554 554 THR HA H 554 4.389 4.389 4.337 0.052 25657 3908 1 10 . 1 1 554 554 THR CA C 554 61.070 61.070 61.702 -0.632 25657 3909 1 10 . 1 1 554 554 THR CB C 554 71.292 71.292 69.921 1.371 25657 3910 1 10 . 1 1 554 554 THR H H 554 8.620 8.620 7.828 0.792 25657 3911 1 10 . 1 1 555 555 ALA N N 555 122.620 122.620 127.312 -4.692 25657 3912 1 10 . 1 1 555 555 ALA HA H 555 4.096 4.096 4.012 0.084 25657 3913 1 10 . 1 1 555 555 ALA CA C 555 55.354 55.354 54.612 0.742 25657 3914 1 10 . 1 1 555 555 ALA CB C 555 18.127 18.127 18.180 -0.053 25657 3915 1 10 . 1 1 555 555 ALA H H 555 8.682 8.682 8.798 -0.116 25657 3916 1 10 . 1 1 556 556 ILE N N 556 114.464 114.464 119.260 -4.796 25657 3917 1 10 . 1 1 556 556 ILE HA H 556 3.889 3.889 3.653 0.236 25657 3918 1 10 . 1 1 556 556 ILE CA C 556 63.370 63.370 63.016 0.354 25657 3919 1 10 . 1 1 556 556 ILE CB C 556 38.073 38.073 37.333 0.741 25657 3920 1 10 . 1 1 556 556 ILE H H 556 7.702 7.702 8.123 -0.421 25657 3921 1 10 . 1 1 557 557 GLU N N 557 121.301 121.301 120.580 0.721 25657 3922 1 10 . 1 1 557 557 GLU HA H 557 4.256 4.256 3.759 0.497 25657 3923 1 10 . 1 1 557 557 GLU CA C 557 58.771 58.771 58.228 0.543 25657 3924 1 10 . 1 1 557 557 GLU CB C 557 31.316 31.316 28.972 2.344 25657 3925 1 10 . 1 1 557 557 GLU H H 557 7.545 7.545 8.258 -0.713 25657 3926 1 10 . 1 1 558 558 LEU N N 558 118.899 118.899 115.079 3.820 25657 3927 1 10 . 1 1 558 558 LEU HA H 558 4.062 4.062 4.155 -0.093 25657 3928 1 10 . 1 1 558 558 LEU CA C 558 58.004 58.004 56.172 1.832 25657 3929 1 10 . 1 1 558 558 LEU CB C 558 42.417 42.417 41.638 0.779 25657 3930 1 10 . 1 1 558 558 LEU H H 558 7.829 7.829 7.761 0.068 25657 3931 1 10 . 1 1 562 562 TRP HA H 562 4.366 4.366 4.347 0.019 25657 3932 1 10 . 1 1 562 562 TRP CA C 562 59.793 59.793 60.722 -0.929 25657 3933 1 10 . 1 1 562 562 TRP CB C 562 28.874 28.874 28.152 0.722 25657 3934 1 10 . 1 1 563 563 VAL HA H 563 3.659 3.659 2.816 0.843 25657 3935 1 10 . 1 1 563 563 VAL CA C 563 65.926 65.926 64.791 1.135 25657 3936 1 10 . 1 1 563 563 VAL CB C 563 31.429 31.429 31.624 -0.195 25657 3937 1 10 . 1 1 564 564 ARG HA H 564 4.273 4.273 3.928 0.345 25657 3938 1 10 . 1 1 564 564 ARG CA C 564 56.982 56.982 59.223 -2.241 25657 3939 1 10 . 1 1 564 564 ARG CB C 564 30.151 30.151 29.468 0.683 25657 3940 1 10 . 1 1 566 566 LEU HA H 566 4.057 4.057 3.976 0.081 25657 3941 1 10 . 1 1 566 566 LEU CA C 566 57.749 57.749 57.881 -0.132 25657 3942 1 10 . 1 1 566 566 LEU CB C 566 41.139 41.139 41.459 -0.320 25657 3943 1 10 . 1 1 567 567 ALA HA H 567 4.004 4.004 4.154 -0.150 25657 3944 1 10 . 1 1 567 567 ALA CA C 567 54.427 54.427 54.898 -0.471 25657 3945 1 10 . 1 1 567 567 ALA CB C 567 19.419 19.419 18.324 1.095 25657 3946 1 10 . 1 1 569 569 ALA N N 569 123.940 123.940 122.221 1.719 25657 3947 1 10 . 1 1 569 569 ALA HA H 569 3.741 3.741 3.985 -0.244 25657 3948 1 10 . 1 1 569 569 ALA CB C 569 17.725 17.725 18.389 -0.664 25657 3949 1 10 . 1 1 570 570 LEU N N 570 117.193 117.193 118.897 -1.704 25657 3950 1 10 . 1 1 570 570 LEU HA H 570 4.039 4.039 3.876 0.163 25657 3951 1 10 . 1 1 570 570 LEU CA C 570 57.749 57.749 57.267 0.482 25657 3952 1 10 . 1 1 570 570 LEU CB C 570 41.906 41.906 41.944 -0.038 25657 3953 1 10 . 1 1 570 570 LEU H H 570 7.636 7.636 7.580 0.056 25657 3954 1 10 . 1 1 573 573 LEU N N 573 123.340 123.340 123.519 -0.179 25657 3955 1 10 . 1 1 573 573 LEU HA H 573 4.150 4.150 3.812 0.338 25657 3956 1 10 . 1 1 573 573 LEU CA C 573 57.757 57.757 57.980 -0.223 25657 3957 1 10 . 1 1 573 573 LEU CB C 573 42.417 42.417 41.112 1.305 25657 3958 1 10 . 1 1 573 573 LEU H H 573 8.510 8.510 8.195 0.315 25657 3959 1 10 . 1 1 574 574 TYR N N 574 114.647 114.647 111.041 3.606 25657 3960 1 10 . 1 1 574 574 TYR H H 574 7.510 7.510 7.071 0.439 25657 3961 1 10 . 1 1 575 575 MET N N 575 123.163 123.163 119.297 3.866 25657 3962 1 10 . 1 1 575 575 MET HA H 575 4.363 4.363 4.068 0.295 25657 3963 1 10 . 1 1 575 575 MET CA C 575 55.449 55.449 55.855 -0.406 25657 3964 1 10 . 1 1 575 575 MET CB C 575 29.385 29.385 30.672 -1.287 25657 3965 1 10 . 1 1 575 575 MET H H 575 7.209 7.209 7.707 -0.498 25657 3966 1 10 . 1 1 579 579 GLU N N 579 123.708 123.708 123.036 0.672 25657 3967 1 10 . 1 1 579 579 GLU HA H 579 4.402 4.402 3.593 0.809 25657 3968 1 10 . 1 1 579 579 GLU CA C 579 57.749 57.749 59.634 -1.885 25657 3969 1 10 . 1 1 579 579 GLU CB C 579 29.193 29.193 29.197 -0.004 25657 3970 1 10 . 1 1 579 579 GLU H H 579 8.893 8.893 8.982 -0.089 25657 3971 1 10 . 1 1 580 580 GLN N N 580 119.901 119.901 117.759 2.142 25657 3972 1 10 . 1 1 580 580 GLN HA H 580 4.231 4.231 3.983 0.248 25657 3973 1 10 . 1 1 580 580 GLN CA C 580 58.200 58.200 58.508 -0.308 25657 3974 1 10 . 1 1 580 580 GLN CB C 580 29.385 29.385 27.835 1.550 25657 3975 1 10 . 1 1 580 580 GLN H H 580 7.768 7.768 8.384 -0.616 25657 3976 1 10 . 1 1 581 581 VAL N N 581 118.005 118.005 120.216 -2.211 25657 3977 1 10 . 1 1 581 581 VAL HA H 581 3.786 3.786 3.063 0.723 25657 3978 1 10 . 1 1 581 581 VAL CA C 581 61.326 61.326 66.901 -5.575 25657 3979 1 10 . 1 1 581 581 VAL CB C 581 34.495 34.495 31.046 3.449 25657 3980 1 10 . 1 1 581 581 VAL H H 581 8.874 8.874 8.045 0.829 25657 3981 1 10 . 1 1 582 582 ASP N N 582 123.700 123.700 118.396 5.304 25657 3982 1 10 . 1 1 582 582 ASP HA H 582 4.161 4.161 4.172 -0.011 25657 3983 1 10 . 1 1 582 582 ASP CA C 582 58.260 58.260 57.332 0.928 25657 3984 1 10 . 1 1 582 582 ASP CB C 582 39.355 39.355 40.410 -1.055 25657 3985 1 10 . 1 1 582 582 ASP H H 582 7.604 7.604 8.062 -0.458 25657 3986 1 10 . 1 1 583 583 ASP N N 583 119.292 119.292 119.436 -0.144 25657 3987 1 10 . 1 1 583 583 ASP HA H 583 4.546 4.546 4.373 0.173 25657 3988 1 10 . 1 1 583 583 ASP CA C 583 54.938 54.938 56.918 -1.980 25657 3989 1 10 . 1 1 583 583 ASP CB C 583 40.628 40.628 41.006 -0.378 25657 3990 1 10 . 1 1 583 583 ASP H H 583 8.376 8.376 7.709 0.667 25657 3991 1 10 . 1 1 584 584 VAL N N 584 121.900 121.900 120.145 1.755 25657 3992 1 10 . 1 1 584 584 VAL HA H 584 3.727 3.727 3.528 0.199 25657 3993 1 10 . 1 1 584 584 VAL CA C 584 65.159 65.159 66.511 -1.352 25657 3994 1 10 . 1 1 584 584 VAL CB C 584 31.429 31.429 31.520 -0.091 25657 3995 1 10 . 1 1 584 584 VAL H H 584 7.732 7.732 8.017 -0.285 25657 3996 1 10 . 1 1 585 585 LEU N N 585 119.481 119.481 119.373 0.108 25657 3997 1 10 . 1 1 585 585 LEU HA H 585 3.879 3.879 3.771 0.108 25657 3998 1 10 . 1 1 585 585 LEU CA C 585 57.493 57.493 58.016 -0.523 25657 3999 1 10 . 1 1 585 585 LEU CB C 585 40.628 40.628 40.661 -0.033 25657 4000 1 10 . 1 1 585 585 LEU H H 585 8.018 8.018 8.235 -0.217 25657 4001 1 10 . 1 1 586 586 GLU N N 586 118.081 118.081 117.677 0.404 25657 4002 1 10 . 1 1 586 586 GLU HA H 586 4.283 4.283 3.949 0.334 25657 4003 1 10 . 1 1 586 586 GLU CA C 586 55.704 55.704 59.275 -3.571 25657 4004 1 10 . 1 1 586 586 GLU CB C 586 29.129 29.129 29.131 -0.002 25657 4005 1 10 . 1 1 586 586 GLU H H 586 7.729 7.729 7.746 -0.017 25657 4006 1 10 . 1 1 587 587 THR HA H 587 3.882 3.882 4.082 -0.200 25657 4007 1 10 . 1 1 587 587 THR CA C 587 66.400 66.400 66.626 -0.226 25657 4008 1 10 . 1 1 587 587 THR CB C 587 68.288 68.288 68.589 -0.301 25657 4009 1 10 . 1 1 588 588 ILE HA H 588 3.484 3.484 3.836 -0.352 25657 4010 1 10 . 1 1 588 588 ILE CA C 588 64.025 64.025 63.029 0.996 25657 4011 1 10 . 1 1 588 588 ILE CB C 588 37.562 37.562 36.199 1.363 25657 4012 1 10 . 1 1 589 589 SER HA H 589 4.403 4.403 3.613 0.790 25657 4013 1 10 . 1 1 589 589 SER CA C 589 58.477 58.477 59.982 -1.505 25657 4014 1 10 . 1 1 589 589 SER CB C 589 63.314 63.314 63.541 -0.227 25657 4015 1 10 . 1 1 590 590 ALA N N 590 121.916 121.916 124.041 -2.125 25657 4016 1 10 . 1 1 590 590 ALA HA H 590 4.329 4.329 4.125 0.204 25657 4017 1 10 . 1 1 590 590 ALA CA C 590 51.871 51.871 53.929 -2.058 25657 4018 1 10 . 1 1 590 590 ALA CB C 590 19.324 19.324 18.823 0.501 25657 4019 1 10 . 1 1 590 590 ALA H H 590 7.097 7.097 7.063 0.034 25657 4020 1 10 . 1 1 591 591 ILE N N 591 119.802 119.802 115.795 4.007 25657 4021 1 10 . 1 1 591 591 ILE HA H 591 4.175 4.175 4.151 0.024 25657 4022 1 10 . 1 1 591 591 ILE CA C 591 61.070 61.070 60.293 0.777 25657 4023 1 10 . 1 1 591 591 ILE CB C 591 38.584 38.584 38.440 0.144 25657 4024 1 10 . 1 1 591 591 ILE H H 591 7.990 7.990 7.413 0.577 25657 4025 1 10 . 1 1 593 593 HIS HA H 593 4.874 4.874 4.989 -0.115 25657 4026 1 10 . 1 1 593 593 HIS CA C 593 53.660 53.660 52.936 0.724 25657 4027 1 10 . 1 1 593 593 HIS CB C 593 30.094 30.094 29.011 1.083 25657 4028 1 10 . 1 1 594 594 PRO HA H 594 4.325 4.325 4.346 -0.021 25657 4029 1 10 . 1 1 594 594 PRO CA C 594 63.355 63.355 64.222 -0.867 25657 4030 1 10 . 1 1 594 594 PRO CB C 594 31.940 31.940 32.297 -0.357 25657 4031 1 10 . 1 1 595 595 MET N N 595 120.044 120.044 114.913 5.131 25657 4032 1 10 . 1 1 595 595 MET H H 595 8.232 8.232 8.046 0.186 25657 4033 1 10 . 1 1 596 596 THR HA H 596 3.558 3.558 4.261 -0.703 25657 4034 1 10 . 1 1 596 596 THR CA C 596 68.481 68.481 65.052 3.429 25657 4035 1 10 . 1 1 596 596 THR CB C 596 68.225 68.225 68.768 -0.543 25657 4036 1 10 . 1 1 597 597 SER HA H 597 3.998 3.998 4.385 -0.387 25657 4037 1 10 . 1 1 597 597 SER CA C 597 61.070 61.070 61.372 -0.302 25657 4038 1 10 . 1 1 597 597 SER CB C 597 62.859 62.859 63.273 -0.413 25657 4039 1 10 . 1 1 598 598 ALA HA H 598 4.136 4.136 4.125 0.011 25657 4040 1 10 . 1 1 598 598 ALA CA C 598 54.171 54.171 54.733 -0.562 25657 4041 1 10 . 1 1 598 598 ALA CB C 598 18.141 18.141 18.225 -0.084 25657 4042 1 10 . 1 1 599 599 ILE HA H 599 3.456 3.456 3.668 -0.212 25657 4043 1 10 . 1 1 599 599 ILE CA C 599 66.181 66.181 63.862 2.319 25657 4044 1 10 . 1 1 599 599 ILE CB C 599 37.802 37.802 38.021 -0.219 25657 4045 1 10 . 1 1 600 600 GLU HA H 600 3.658 3.658 3.944 -0.286 25657 4046 1 10 . 1 1 600 600 GLU CA C 600 60.048 60.048 60.367 -0.319 25657 4047 1 10 . 1 1 600 600 GLU CB C 600 29.385 29.385 29.678 -0.293 25657 4048 1 10 . 1 1 601 601 VAL HA H 601 3.735 3.735 3.747 -0.012 25657 4049 1 10 . 1 1 601 601 VAL CA C 601 65.926 65.926 66.090 -0.164 25657 4050 1 10 . 1 1 601 601 VAL CB C 601 31.684 31.684 31.325 0.359 25657 4051 1 10 . 1 1 603 603 VAL HA H 603 3.734 3.734 3.607 0.127 25657 4052 1 10 . 1 1 603 603 VAL CA C 603 65.415 65.415 66.685 -1.270 25657 4053 1 10 . 1 1 603 603 VAL CB C 603 31.684 31.684 31.699 -0.015 25657 4054 1 10 . 1 1 604 604 GLY CA C 604 47.272 47.272 47.311 -0.039 25657 4055 1 10 . 1 1 606 606 CYS HA H 606 4.827 4.827 4.342 0.485 25657 4056 1 10 . 1 1 606 606 CYS CA C 606 54.938 54.938 58.106 -3.168 25657 4057 1 10 . 1 1 606 606 CYS CB C 606 33.218 33.218 26.952 6.266 25657 4058 1 10 . 1 1 607 607 ALA HA H 607 4.652 4.652 4.460 0.192 25657 4059 1 10 . 1 1 607 607 ALA CA C 607 54.682 54.682 51.005 3.677 25657 4060 1 10 . 1 1 607 607 ALA CB C 607 19.419 19.419 19.556 -0.137 25657 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 63 3.296 -0.242 3.314 25657 2 1 1 "Average Difference" HA 103 0.282 -0.008 0.283 25657 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25657 4 1 1 "Average Difference" CA 96 1.543 0.191 1.540 25657 5 1 1 "Average Difference" CB 92 1.449 -0.291 1.427 25657 6 1 1 "Average Difference" HN 62 0.638 0.022 0.643 25657 7 1 2 "Average Difference" N 63 3.770 -0.425 3.776 25657 8 1 2 "Average Difference" HA 103 0.308 -0.020 0.309 25657 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25657 10 1 2 "Average Difference" CA 96 1.554 0.182 1.551 25657 11 1 2 "Average Difference" CB 92 1.473 -0.430 1.417 25657 12 1 2 "Average Difference" HN 62 0.686 0.047 0.690 25657 13 1 3 "Average Difference" N 63 3.672 -0.003 3.701 25657 14 1 3 "Average Difference" HA 103 0.307 -0.006 0.308 25657 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25657 16 1 3 "Average Difference" CA 96 1.580 0.125 1.584 25657 17 1 3 "Average Difference" CB 92 1.405 -0.385 1.359 25657 18 1 3 "Average Difference" HN 62 0.610 0.073 0.611 25657 19 1 4 "Average Difference" N 63 3.845 -0.423 3.852 25657 20 1 4 "Average Difference" HA 103 0.276 -0.004 0.277 25657 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25657 22 1 4 "Average Difference" CA 96 1.587 0.173 1.585 25657 23 1 4 "Average Difference" CB 92 1.433 -0.399 1.384 25657 24 1 4 "Average Difference" HN 62 0.621 -0.003 0.626 25657 25 1 5 "Average Difference" N 63 3.384 -0.300 3.398 25657 26 1 5 "Average Difference" HA 103 0.273 0.011 0.274 25657 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25657 28 1 5 "Average Difference" CA 96 1.418 0.078 1.423 25657 29 1 5 "Average Difference" CB 92 1.363 -0.350 1.324 25657 30 1 5 "Average Difference" HN 62 0.692 0.038 0.697 25657 31 1 6 "Average Difference" N 63 3.610 -0.279 3.628 25657 32 1 6 "Average Difference" HA 103 0.310 0.002 0.311 25657 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25657 34 1 6 "Average Difference" CA 96 1.493 0.104 1.498 25657 35 1 6 "Average Difference" CB 92 1.500 -0.302 1.477 25657 36 1 6 "Average Difference" HN 62 0.611 0.065 0.612 25657 37 1 7 "Average Difference" N 63 3.399 -0.109 3.425 25657 38 1 7 "Average Difference" HA 103 0.285 0.023 0.285 25657 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25657 40 1 7 "Average Difference" CA 96 1.510 0.113 1.513 25657 41 1 7 "Average Difference" CB 92 1.459 -0.247 1.446 25657 42 1 7 "Average Difference" HN 62 0.612 0.053 0.615 25657 43 1 8 "Average Difference" N 63 3.673 -0.427 3.678 25657 44 1 8 "Average Difference" HA 103 0.302 -0.004 0.303 25657 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25657 46 1 8 "Average Difference" CA 96 1.551 0.242 1.540 25657 47 1 8 "Average Difference" CB 92 1.447 -0.349 1.412 25657 48 1 8 "Average Difference" HN 62 0.692 0.006 0.697 25657 49 1 9 "Average Difference" N 63 3.670 -0.049 3.700 25657 50 1 9 "Average Difference" HA 103 0.297 0.014 0.298 25657 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25657 52 1 9 "Average Difference" CA 96 1.633 0.281 1.617 25657 53 1 9 "Average Difference" CB 92 1.510 -0.337 1.480 25657 54 1 9 "Average Difference" HN 62 0.608 0.104 0.604 25657 55 1 10 "Average Difference" N 63 3.868 -0.203 3.893 25657 56 1 10 "Average Difference" HA 103 0.315 -0.019 0.316 25657 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25657 58 1 10 "Average Difference" CA 96 1.497 0.110 1.501 25657 59 1 10 "Average Difference" CB 92 1.379 -0.351 1.340 25657 60 1 10 "Average Difference" HN 62 0.629 0.061 0.632 25657 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 25657 _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 1 484 484 LYS HA H 484 4.551 4.551 4.289 0.262 25657 2 1 . 1 1 484 484 LYS CA C 484 55.960 55.960 56.318 -0.358 25657 3 1 . 1 1 484 484 LYS CB C 484 32.962 32.962 32.487 0.475 25657 4 1 . 1 1 488 488 ALA HA H 488 3.926 3.926 4.080 -0.153 25657 5 1 . 1 1 488 488 ALA CA C 488 54.682 54.682 54.652 0.030 25657 6 1 . 1 1 488 488 ALA CB C 488 18.652 18.652 18.046 0.606 25657 7 1 . 1 1 489 489 ALA HA H 489 3.910 3.910 4.056 -0.146 25657 8 1 . 1 1 489 489 ALA CA C 489 54.563 54.563 54.992 -0.428 25657 9 1 . 1 1 489 489 ALA CB C 489 18.733 18.733 18.343 0.390 25657 10 1 . 1 1 490 490 ILE HA H 490 4.120 4.120 3.726 0.394 25657 11 1 . 1 1 490 490 ILE CA C 490 61.752 61.752 63.614 -1.862 25657 12 1 . 1 1 490 490 ILE CB C 490 38.584 38.584 36.799 1.785 25657 13 1 . 1 1 493 493 LEU HA H 493 4.293 4.293 4.099 0.194 25657 14 1 . 1 1 493 493 LEU CA C 493 55.121 55.121 56.734 -1.613 25657 15 1 . 1 1 493 493 LEU CB C 493 42.180 42.180 41.604 0.576 25657 16 1 . 1 1 494 494 GLY CA C 494 47.527 47.527 46.835 0.692 25657 17 1 . 1 1 496 496 ALA HA H 496 4.034 4.034 4.137 -0.103 25657 18 1 . 1 1 496 496 ALA CA C 496 55.704 55.704 54.627 1.077 25657 19 1 . 1 1 496 496 ALA CB C 496 19.830 19.830 18.339 1.491 25657 20 1 . 1 1 497 497 PHE HA H 497 4.621 4.621 4.169 0.452 25657 21 1 . 1 1 497 497 PHE CA C 497 57.493 57.493 58.422 -0.930 25657 22 1 . 1 1 497 497 PHE CB C 497 38.584 38.584 37.538 1.046 25657 23 1 . 1 1 498 498 ALA HA H 498 3.822 3.822 4.068 -0.246 25657 24 1 . 1 1 498 498 ALA CA C 498 54.735 54.735 53.478 1.257 25657 25 1 . 1 1 498 498 ALA CB C 498 18.397 18.397 18.018 0.380 25657 26 1 . 1 1 500 500 SER N N 500 113.984 113.984 114.749 -0.765 25657 27 1 . 1 1 500 500 SER HA H 500 4.200 4.200 4.299 -0.100 25657 28 1 . 1 1 500 500 SER CA C 500 60.559 60.559 59.629 0.930 25657 29 1 . 1 1 500 500 SER CB C 500 65.159 65.159 63.422 1.737 25657 30 1 . 1 1 500 500 SER H H 500 8.124 8.124 7.944 0.180 25657 31 1 . 1 1 501 501 LYS N N 501 118.485 118.485 120.150 -1.665 25657 32 1 . 1 1 501 501 LYS HA H 501 4.276 4.276 4.323 -0.047 25657 33 1 . 1 1 501 501 LYS CA C 501 55.960 55.960 56.006 -0.046 25657 34 1 . 1 1 501 501 LYS H H 501 8.419 8.419 8.082 0.337 25657 35 1 . 1 1 502 502 ASN N N 502 115.874 115.874 116.113 -0.239 25657 36 1 . 1 1 502 502 ASN HA H 502 4.275 4.275 4.807 -0.532 25657 37 1 . 1 1 502 502 ASN CA C 502 55.449 55.449 53.171 2.278 25657 38 1 . 1 1 502 502 ASN CB C 502 39.861 39.861 38.959 0.902 25657 39 1 . 1 1 502 502 ASN H H 502 6.247 6.247 8.055 -1.808 25657 40 1 . 1 1 503 503 ASP N N 503 127.293 127.293 119.861 7.432 25657 41 1 . 1 1 503 503 ASP HA H 503 4.551 4.551 4.518 0.034 25657 42 1 . 1 1 503 503 ASP CA C 503 56.982 56.982 56.532 0.450 25657 43 1 . 1 1 503 503 ASP CB C 503 41.395 41.395 40.689 0.706 25657 44 1 . 1 1 503 503 ASP H H 503 8.734 8.734 8.699 0.035 25657 45 1 . 1 1 504 504 GLU N N 504 123.432 123.432 120.706 2.726 25657 46 1 . 1 1 504 504 GLU HA H 504 4.094 4.094 4.120 -0.026 25657 47 1 . 1 1 504 504 GLU CA C 504 59.282 59.282 59.205 0.077 25657 48 1 . 1 1 504 504 GLU CB C 504 28.618 28.618 29.532 -0.914 25657 49 1 . 1 1 504 504 GLU H H 504 8.208 8.208 8.308 -0.100 25657 50 1 . 1 1 505 505 VAL N N 505 121.171 121.171 119.850 1.321 25657 51 1 . 1 1 505 505 VAL HA H 505 3.284 3.284 3.741 -0.457 25657 52 1 . 1 1 505 505 VAL CA C 505 66.547 66.547 65.748 0.799 25657 53 1 . 1 1 505 505 VAL CB C 505 30.918 30.918 31.724 -0.806 25657 54 1 . 1 1 505 505 VAL H H 505 8.343 8.343 8.102 0.241 25657 55 1 . 1 1 506 506 LEU N N 506 120.468 120.468 120.081 0.387 25657 56 1 . 1 1 506 506 LEU HA H 506 3.956 3.956 4.083 -0.127 25657 57 1 . 1 1 506 506 LEU CA C 506 58.667 58.667 58.042 0.625 25657 58 1 . 1 1 506 506 LEU CB C 506 41.139 41.139 41.405 -0.266 25657 59 1 . 1 1 506 506 LEU H H 506 7.677 7.677 7.691 -0.014 25657 60 1 . 1 1 507 507 GLY N N 507 102.846 102.846 106.558 -3.712 25657 61 1 . 1 1 507 507 GLY CA C 507 46.428 46.428 46.931 -0.503 25657 62 1 . 1 1 507 507 GLY H H 507 7.864 7.864 7.867 -0.003 25657 63 1 . 1 1 508 508 LEU N N 508 119.101 119.101 121.566 -2.465 25657 64 1 . 1 1 508 508 LEU HA H 508 4.209 4.209 4.433 -0.224 25657 65 1 . 1 1 508 508 LEU CA C 508 56.471 56.471 56.788 -0.317 25657 66 1 . 1 1 508 508 LEU CB C 508 43.362 43.362 42.380 0.982 25657 67 1 . 1 1 508 508 LEU H H 508 7.368 7.368 7.429 -0.061 25657 68 1 . 1 1 509 509 LEU N N 509 112.199 112.199 120.107 -7.908 25657 69 1 . 1 1 509 509 LEU HA H 509 4.387 4.387 3.969 0.418 25657 70 1 . 1 1 509 509 LEU CA C 509 55.073 55.073 58.177 -3.104 25657 71 1 . 1 1 509 509 LEU CB C 509 42.111 42.111 41.368 0.744 25657 72 1 . 1 1 509 509 LEU H H 509 8.043 8.043 8.321 -0.278 25657 73 1 . 1 1 510 510 LEU N N 510 124.597 124.597 120.315 4.282 25657 74 1 . 1 1 510 510 LEU HA H 510 3.986 3.986 4.072 -0.086 25657 75 1 . 1 1 510 510 LEU CA C 510 59.537 59.537 60.404 -0.867 25657 76 1 . 1 1 510 510 LEU CB C 510 38.809 38.809 38.607 0.202 25657 77 1 . 1 1 510 510 LEU H H 510 9.023 9.023 7.801 1.222 25657 78 1 . 1 1 511 511 PRO HA H 511 4.188 4.188 4.144 0.044 25657 79 1 . 1 1 511 511 PRO CA C 511 65.159 65.159 65.963 -0.804 25657 80 1 . 1 1 511 511 PRO CB C 511 31.173 31.173 31.206 -0.033 25657 81 1 . 1 1 512 512 ILE N N 512 116.144 116.144 115.306 0.838 25657 82 1 . 1 1 512 512 ILE HA H 512 3.555 3.555 3.916 -0.361 25657 83 1 . 1 1 512 512 ILE CA C 512 63.626 63.626 63.550 0.076 25657 84 1 . 1 1 512 512 ILE CB C 512 37.562 37.562 37.811 -0.249 25657 85 1 . 1 1 512 512 ILE H H 512 6.740 6.740 7.465 -0.725 25657 86 1 . 1 1 513 513 ALA N N 513 120.058 120.058 122.319 -2.261 25657 87 1 . 1 1 513 513 ALA HA H 513 4.001 4.001 4.259 -0.258 25657 88 1 . 1 1 513 513 ALA CA C 513 54.684 54.684 53.489 1.195 25657 89 1 . 1 1 513 513 ALA CB C 513 17.961 17.961 18.799 -0.838 25657 90 1 . 1 1 513 513 ALA H H 513 7.742 7.742 8.043 -0.301 25657 91 1 . 1 1 514 514 ALA N N 514 112.305 112.305 119.850 -7.545 25657 92 1 . 1 1 514 514 ALA HA H 514 4.043 4.043 4.344 -0.301 25657 93 1 . 1 1 514 514 ALA CA C 514 51.908 51.908 51.623 0.285 25657 94 1 . 1 1 514 514 ALA CB C 514 19.430 19.430 18.806 0.624 25657 95 1 . 1 1 514 514 ALA H H 514 7.900 7.900 7.788 0.112 25657 96 1 . 1 1 515 515 SER N N 515 113.093 113.093 113.854 -0.761 25657 97 1 . 1 1 515 515 SER HA H 515 4.372 4.372 4.327 0.045 25657 98 1 . 1 1 515 515 SER CA C 515 57.781 57.781 58.339 -0.558 25657 99 1 . 1 1 515 515 SER CB C 515 63.115 63.115 62.359 0.756 25657 100 1 . 1 1 515 515 SER H H 515 7.103 7.103 7.584 -0.481 25657 101 1 . 1 1 516 516 THR N N 516 115.846 115.846 114.742 1.104 25657 102 1 . 1 1 516 516 THR HA H 516 4.187 4.187 4.141 0.046 25657 103 1 . 1 1 516 516 THR CA C 516 62.093 62.093 64.171 -2.077 25657 104 1 . 1 1 516 516 THR CB C 516 67.714 67.714 69.194 -1.480 25657 105 1 . 1 1 516 516 THR H H 516 8.161 8.161 8.307 -0.146 25657 106 1 . 1 1 517 517 ASP N N 517 118.302 118.302 119.147 -0.845 25657 107 1 . 1 1 517 517 ASP HA H 517 4.574 4.574 4.581 -0.007 25657 108 1 . 1 1 517 517 ASP CA C 517 54.171 54.171 54.940 -0.769 25657 109 1 . 1 1 517 517 ASP CB C 517 41.139 41.139 40.963 0.176 25657 110 1 . 1 1 517 517 ASP H H 517 8.295 8.295 8.254 0.041 25657 111 1 . 1 1 518 518 LEU N N 518 121.136 121.136 117.826 3.310 25657 112 1 . 1 1 518 518 LEU HA H 518 4.531 4.531 4.823 -0.292 25657 113 1 . 1 1 518 518 LEU CA C 518 53.050 53.050 52.039 1.011 25657 114 1 . 1 1 518 518 LEU CB C 518 40.884 40.884 42.147 -1.263 25657 115 1 . 1 1 518 518 LEU H H 518 7.150 7.150 7.527 -0.377 25657 116 1 . 1 1 519 519 PRO HA H 519 4.385 4.385 4.340 0.046 25657 117 1 . 1 1 519 519 PRO CA C 519 63.115 63.115 62.893 0.222 25657 118 1 . 1 1 519 519 PRO CB C 519 32.195 32.195 32.266 -0.071 25657 119 1 . 1 1 520 520 ILE N N 520 121.919 121.919 119.909 2.010 25657 120 1 . 1 1 520 520 ILE HA H 520 3.760 3.760 3.755 0.005 25657 121 1 . 1 1 520 520 ILE CA C 520 63.881 63.881 63.966 -0.085 25657 122 1 . 1 1 520 520 ILE CB C 520 37.817 37.817 37.670 0.147 25657 123 1 . 1 1 520 520 ILE H H 520 8.655 8.655 8.391 0.264 25657 124 1 . 1 1 522 522 THR N N 522 114.698 114.698 113.565 1.133 25657 125 1 . 1 1 522 522 THR HA H 522 3.647 3.647 4.078 -0.431 25657 126 1 . 1 1 522 522 THR CA C 522 65.670 65.670 65.517 0.153 25657 127 1 . 1 1 522 522 THR CB C 522 68.481 68.481 68.498 -0.017 25657 128 1 . 1 1 522 522 THR H H 522 6.636 6.636 7.689 -1.053 25657 129 1 . 1 1 523 523 ALA N N 523 122.860 122.860 123.562 -0.703 25657 130 1 . 1 1 523 523 ALA HA H 523 3.940 3.940 4.034 -0.095 25657 131 1 . 1 1 523 523 ALA CA C 523 55.415 55.415 54.703 0.713 25657 132 1 . 1 1 523 523 ALA CB C 523 18.392 18.392 18.145 0.247 25657 133 1 . 1 1 523 523 ALA H H 523 7.251 7.251 7.580 -0.329 25657 134 1 . 1 1 524 524 ALA N N 524 121.541 121.541 121.992 -0.451 25657 135 1 . 1 1 524 524 ALA HA H 524 3.933 3.933 4.070 -0.137 25657 136 1 . 1 1 524 524 ALA CA C 524 55.193 55.193 55.082 0.111 25657 137 1 . 1 1 524 524 ALA CB C 524 18.652 18.652 18.497 0.155 25657 138 1 . 1 1 524 524 ALA H H 524 9.218 9.218 8.345 0.873 25657 139 1 . 1 1 526 526 ALA HA H 526 3.886 3.886 4.022 -0.137 25657 140 1 . 1 1 526 526 ALA CA C 526 55.544 55.544 55.235 0.309 25657 141 1 . 1 1 526 526 ALA CB C 526 18.113 18.113 17.977 0.136 25657 142 1 . 1 1 527 527 SER HA H 527 3.932 3.932 4.157 -0.225 25657 143 1 . 1 1 527 527 SER CA C 527 60.304 60.304 61.887 -1.583 25657 144 1 . 1 1 527 527 SER CB C 527 62.859 62.859 62.952 -0.093 25657 145 1 . 1 1 528 528 LEU HA H 528 4.030 4.030 3.937 0.093 25657 146 1 . 1 1 528 528 LEU CA C 528 57.252 57.252 58.098 -0.846 25657 147 1 . 1 1 528 528 LEU CB C 528 41.555 41.555 41.724 -0.169 25657 148 1 . 1 1 529 529 ALA HA H 529 4.312 4.312 3.956 0.356 25657 149 1 . 1 1 529 529 ALA CA C 529 52.127 52.127 55.035 -2.908 25657 150 1 . 1 1 529 529 ALA CB C 529 18.908 18.908 18.185 0.723 25657 151 1 . 1 1 530 530 LEU HA H 530 3.931 3.931 4.042 -0.111 25657 152 1 . 1 1 530 530 LEU CA C 530 57.493 57.493 57.650 -0.157 25657 153 1 . 1 1 530 530 LEU CB C 530 42.161 42.161 41.793 0.368 25657 154 1 . 1 1 531 531 ALA N N 531 121.603 121.603 120.790 0.814 25657 155 1 . 1 1 531 531 ALA HA H 531 3.874 3.874 3.982 -0.108 25657 156 1 . 1 1 531 531 ALA CA C 531 55.704 55.704 55.040 0.664 25657 157 1 . 1 1 531 531 ALA CB C 531 19.842 19.842 18.263 1.579 25657 158 1 . 1 1 531 531 ALA H H 531 8.675 8.675 7.934 0.741 25657 159 1 . 1 1 533 533 VAL HA H 533 4.073 4.073 3.860 0.213 25657 160 1 . 1 1 533 533 VAL CA C 533 66.437 66.437 65.494 0.942 25657 161 1 . 1 1 533 533 VAL CB C 533 31.684 31.684 32.082 -0.398 25657 162 1 . 1 1 535 535 VAL N N 535 125.207 125.207 119.614 5.593 25657 163 1 . 1 1 535 535 VAL HA H 535 4.047 4.047 3.753 0.294 25657 164 1 . 1 1 535 535 VAL CA C 535 62.093 62.093 64.249 -2.156 25657 165 1 . 1 1 535 535 VAL CB C 535 30.918 30.918 31.682 -0.764 25657 166 1 . 1 1 535 535 VAL H H 535 6.624 6.624 7.739 -1.116 25657 167 1 . 1 1 536 536 GLY N N 536 116.145 116.145 107.304 8.841 25657 168 1 . 1 1 536 536 GLY CA C 536 45.994 45.994 45.472 0.522 25657 169 1 . 1 1 536 536 GLY H H 536 7.749 7.749 7.932 -0.183 25657 170 1 . 1 1 537 537 THR N N 537 116.707 116.707 112.905 3.802 25657 171 1 . 1 1 537 537 THR HA H 537 4.262 4.262 4.571 -0.309 25657 172 1 . 1 1 537 537 THR CA C 537 62.604 62.604 60.640 1.964 25657 173 1 . 1 1 537 537 THR CB C 537 72.058 72.058 70.741 1.317 25657 174 1 . 1 1 537 537 THR H H 537 7.962 7.962 7.584 0.378 25657 175 1 . 1 1 538 538 CYS N N 538 114.912 114.912 119.119 -4.207 25657 176 1 . 1 1 538 538 CYS HA H 538 4.308 4.308 4.808 -0.500 25657 177 1 . 1 1 538 538 CYS CB C 538 36.284 36.284 29.924 6.360 25657 178 1 . 1 1 538 538 CYS H H 538 8.598 8.598 8.373 0.225 25657 179 1 . 1 1 539 539 ASN N N 539 114.935 114.935 121.486 -6.550 25657 180 1 . 1 1 539 539 ASN HA H 539 4.121 4.121 4.827 -0.706 25657 181 1 . 1 1 539 539 ASN CA C 539 56.215 56.215 53.132 3.083 25657 182 1 . 1 1 539 539 ASN CB C 539 40.628 40.628 41.220 -0.592 25657 183 1 . 1 1 539 539 ASN H H 539 6.886 6.886 8.433 -1.547 25657 184 1 . 1 1 540 540 GLY N N 540 120.207 120.207 110.579 9.628 25657 185 1 . 1 1 540 540 GLY CA C 540 47.527 47.527 46.161 1.366 25657 186 1 . 1 1 540 540 GLY H H 540 9.345 9.345 8.740 0.605 25657 187 1 . 1 1 541 541 ASP N N 541 123.940 123.940 122.195 1.744 25657 188 1 . 1 1 541 541 ASP HA H 541 4.442 4.442 4.325 0.117 25657 189 1 . 1 1 541 541 ASP CA C 541 57.493 57.493 56.946 0.547 25657 190 1 . 1 1 541 541 ASP CB C 541 39.861 39.861 40.410 -0.549 25657 191 1 . 1 1 541 541 ASP H H 541 7.768 7.768 8.567 -0.799 25657 192 1 . 1 1 542 542 ILE N N 542 121.748 121.748 118.386 3.362 25657 193 1 . 1 1 542 542 ILE HA H 542 3.423 3.423 3.627 -0.204 25657 194 1 . 1 1 542 542 ILE CA C 542 64.903 64.903 64.752 0.151 25657 195 1 . 1 1 542 542 ILE CB C 542 37.562 37.562 37.645 -0.083 25657 196 1 . 1 1 542 542 ILE H H 542 8.866 8.866 7.727 1.139 25657 197 1 . 1 1 543 543 THR N N 543 117.103 117.103 115.596 1.507 25657 198 1 . 1 1 543 543 THR HA H 543 3.535 3.535 4.074 -0.539 25657 199 1 . 1 1 543 543 THR CA C 543 68.481 68.481 66.814 1.667 25657 200 1 . 1 1 543 543 THR CB C 543 68.481 68.481 68.392 0.089 25657 201 1 . 1 1 543 543 THR H H 543 8.047 8.047 8.045 0.002 25657 202 1 . 1 1 544 544 THR N N 544 117.176 117.176 118.340 -1.164 25657 203 1 . 1 1 544 544 THR HA H 544 3.749 3.749 4.005 -0.256 25657 204 1 . 1 1 544 544 THR CA C 544 66.692 66.692 66.905 -0.213 25657 205 1 . 1 1 544 544 THR CB C 544 68.736 68.736 68.429 0.307 25657 206 1 . 1 1 544 544 THR H H 544 8.240 8.240 7.988 0.252 25657 207 1 . 1 1 545 545 SER N N 545 117.103 117.103 117.931 -0.828 25657 208 1 . 1 1 545 545 SER HA H 545 4.165 4.165 4.250 -0.085 25657 209 1 . 1 1 545 545 SER CA C 545 62.348 62.348 61.834 0.514 25657 210 1 . 1 1 545 545 SER CB C 545 62.348 62.348 62.808 -0.460 25657 211 1 . 1 1 545 545 SER H H 545 7.407 7.407 7.613 -0.206 25657 212 1 . 1 1 546 546 ILE N N 546 122.380 122.380 123.293 -0.913 25657 213 1 . 1 1 546 546 ILE HA H 546 3.463 3.463 3.766 -0.303 25657 214 1 . 1 1 546 546 ILE CA C 546 66.242 66.242 65.337 0.905 25657 215 1 . 1 1 546 546 ILE CB C 546 38.328 38.328 38.143 0.185 25657 216 1 . 1 1 546 546 ILE H H 546 7.830 7.830 7.994 -0.164 25657 217 1 . 1 1 547 547 MET N N 547 117.942 117.942 119.175 -1.233 25657 218 1 . 1 1 547 547 MET HA H 547 4.498 4.498 4.154 0.344 25657 219 1 . 1 1 547 547 MET CA C 547 56.982 56.982 59.113 -2.131 25657 220 1 . 1 1 547 547 MET CB C 547 30.197 30.197 32.282 -2.086 25657 221 1 . 1 1 547 547 MET H H 547 8.524 8.524 8.381 0.143 25657 222 1 . 1 1 548 548 ASP N N 548 119.475 119.475 119.550 -0.075 25657 223 1 . 1 1 548 548 ASP HA H 548 4.497 4.497 4.277 0.220 25657 224 1 . 1 1 548 548 ASP CA C 548 57.493 57.493 57.765 -0.272 25657 225 1 . 1 1 548 548 ASP CB C 548 39.350 39.350 40.526 -1.176 25657 226 1 . 1 1 548 548 ASP H H 548 8.820 8.820 8.078 0.742 25657 227 1 . 1 1 549 549 ASN N N 549 116.905 116.905 117.980 -1.075 25657 228 1 . 1 1 549 549 ASN HA H 549 4.141 4.141 4.499 -0.358 25657 229 1 . 1 1 549 549 ASN CA C 549 57.493 57.493 56.059 1.434 25657 230 1 . 1 1 549 549 ASN CB C 549 41.139 41.139 38.473 2.666 25657 231 1 . 1 1 549 549 ASN H H 549 7.443 7.443 7.867 -0.424 25657 232 1 . 1 1 550 550 PHE N N 550 115.303 115.303 119.947 -4.644 25657 233 1 . 1 1 550 550 PHE HA H 550 4.384 4.384 4.249 0.135 25657 234 1 . 1 1 550 550 PHE CA C 550 60.815 60.815 61.571 -0.756 25657 235 1 . 1 1 550 550 PHE CB C 550 39.409 39.409 38.990 0.418 25657 236 1 . 1 1 550 550 PHE H H 550 7.283 7.283 7.851 -0.568 25657 237 1 . 1 1 551 551 LEU N N 551 117.577 117.577 117.067 0.510 25657 238 1 . 1 1 551 551 LEU HA H 551 4.313 4.313 4.213 0.100 25657 239 1 . 1 1 551 551 LEU CA C 551 56.471 56.471 57.069 -0.598 25657 240 1 . 1 1 551 551 LEU CB C 551 43.183 43.183 41.827 1.356 25657 241 1 . 1 1 551 551 LEU H H 551 8.274 8.274 7.871 0.403 25657 242 1 . 1 1 552 552 GLU N N 552 115.846 115.846 118.148 -2.302 25657 243 1 . 1 1 552 552 GLU HA H 552 3.942 3.942 4.197 -0.255 25657 244 1 . 1 1 552 552 GLU CA C 552 59.282 59.282 57.265 2.017 25657 245 1 . 1 1 552 552 GLU CB C 552 29.103 29.103 30.207 -1.104 25657 246 1 . 1 1 552 552 GLU H H 552 8.161 8.161 7.670 0.491 25657 247 1 . 1 1 553 553 ARG N N 553 116.743 116.743 119.347 -2.603 25657 248 1 . 1 1 553 553 ARG HA H 553 4.574 4.574 4.045 0.529 25657 249 1 . 1 1 553 553 ARG CA C 553 55.960 55.960 56.633 -0.673 25657 250 1 . 1 1 553 553 ARG CB C 553 30.662 30.662 29.220 1.443 25657 251 1 . 1 1 553 553 ARG H H 553 6.884 6.884 8.163 -1.279 25657 252 1 . 1 1 554 554 THR N N 554 110.707 110.707 116.017 -5.311 25657 253 1 . 1 1 554 554 THR HA H 554 4.389 4.389 4.345 0.044 25657 254 1 . 1 1 554 554 THR CA C 554 61.070 61.070 61.481 -0.411 25657 255 1 . 1 1 554 554 THR CB C 554 71.292 71.292 69.979 1.313 25657 256 1 . 1 1 554 554 THR H H 554 8.620 8.620 7.888 0.732 25657 257 1 . 1 1 555 555 ALA N N 555 122.620 122.620 125.351 -2.731 25657 258 1 . 1 1 555 555 ALA HA H 555 4.096 4.096 4.044 0.052 25657 259 1 . 1 1 555 555 ALA CA C 555 55.354 55.354 54.454 0.900 25657 260 1 . 1 1 555 555 ALA CB C 555 18.127 18.127 18.238 -0.111 25657 261 1 . 1 1 555 555 ALA H H 555 8.682 8.682 8.735 -0.053 25657 262 1 . 1 1 556 556 ILE N N 556 114.464 114.464 119.337 -4.873 25657 263 1 . 1 1 556 556 ILE HA H 556 3.889 3.889 3.656 0.233 25657 264 1 . 1 1 556 556 ILE CA C 556 63.370 63.370 62.736 0.634 25657 265 1 . 1 1 556 556 ILE CB C 556 38.073 38.073 37.454 0.619 25657 266 1 . 1 1 556 556 ILE H H 556 7.702 7.702 7.962 -0.260 25657 267 1 . 1 1 557 557 GLU N N 557 121.301 121.301 120.098 1.203 25657 268 1 . 1 1 557 557 GLU HA H 557 4.256 4.256 3.965 0.291 25657 269 1 . 1 1 557 557 GLU CA C 557 58.771 58.771 58.405 0.366 25657 270 1 . 1 1 557 557 GLU CB C 557 31.316 31.316 29.004 2.312 25657 271 1 . 1 1 557 557 GLU H H 557 7.545 7.545 7.974 -0.429 25657 272 1 . 1 1 558 558 LEU N N 558 118.899 118.899 115.712 3.187 25657 273 1 . 1 1 558 558 LEU HA H 558 4.062 4.062 4.179 -0.118 25657 274 1 . 1 1 558 558 LEU CA C 558 58.004 58.004 56.187 1.817 25657 275 1 . 1 1 558 558 LEU CB C 558 42.417 42.417 41.531 0.886 25657 276 1 . 1 1 558 558 LEU H H 558 7.829 7.829 7.703 0.126 25657 277 1 . 1 1 562 562 TRP HA H 562 4.366 4.366 4.492 -0.126 25657 278 1 . 1 1 562 562 TRP CA C 562 59.793 59.793 60.021 -0.228 25657 279 1 . 1 1 562 562 TRP CB C 562 28.874 28.874 28.881 -0.007 25657 280 1 . 1 1 563 563 VAL HA H 563 3.659 3.659 2.830 0.830 25657 281 1 . 1 1 563 563 VAL CA C 563 65.926 65.926 65.016 0.910 25657 282 1 . 1 1 563 563 VAL CB C 563 31.429 31.429 31.327 0.102 25657 283 1 . 1 1 564 564 ARG HA H 564 4.273 4.273 3.916 0.357 25657 284 1 . 1 1 564 564 ARG CA C 564 56.982 56.982 59.391 -2.409 25657 285 1 . 1 1 564 564 ARG CB C 564 30.151 30.151 29.697 0.454 25657 286 1 . 1 1 566 566 LEU HA H 566 4.057 4.057 3.879 0.178 25657 287 1 . 1 1 566 566 LEU CA C 566 57.749 57.749 57.799 -0.050 25657 288 1 . 1 1 566 566 LEU CB C 566 41.139 41.139 41.285 -0.146 25657 289 1 . 1 1 567 567 ALA HA H 567 4.004 4.004 4.103 -0.099 25657 290 1 . 1 1 567 567 ALA CA C 567 54.427 54.427 54.991 -0.564 25657 291 1 . 1 1 567 567 ALA CB C 567 19.419 19.419 18.247 1.172 25657 292 1 . 1 1 569 569 ALA N N 569 123.940 123.940 122.060 1.880 25657 293 1 . 1 1 569 569 ALA HA H 569 3.741 3.741 4.002 -0.261 25657 294 1 . 1 1 569 569 ALA CB C 569 17.725 17.725 18.312 -0.587 25657 295 1 . 1 1 570 570 LEU N N 570 117.193 117.193 117.707 -0.514 25657 296 1 . 1 1 570 570 LEU HA H 570 4.039 4.039 4.053 -0.014 25657 297 1 . 1 1 570 570 LEU CA C 570 57.749 57.749 57.014 0.735 25657 298 1 . 1 1 570 570 LEU CB C 570 41.906 41.906 41.813 0.093 25657 299 1 . 1 1 570 570 LEU H H 570 7.636 7.636 7.770 -0.134 25657 300 1 . 1 1 573 573 LEU N N 573 123.340 123.340 121.467 1.873 25657 301 1 . 1 1 573 573 LEU HA H 573 4.150 4.150 3.973 0.177 25657 302 1 . 1 1 573 573 LEU CA C 573 57.757 57.757 57.732 0.025 25657 303 1 . 1 1 573 573 LEU CB C 573 42.417 42.417 41.858 0.559 25657 304 1 . 1 1 573 573 LEU H H 573 8.510 8.510 7.949 0.561 25657 305 1 . 1 1 574 574 TYR N N 574 114.647 114.647 114.016 0.631 25657 306 1 . 1 1 574 574 TYR H H 574 7.510 7.510 7.475 0.034 25657 307 1 . 1 1 575 575 MET N N 575 123.163 123.163 118.626 4.537 25657 308 1 . 1 1 575 575 MET HA H 575 4.363 4.363 4.095 0.268 25657 309 1 . 1 1 575 575 MET CA C 575 55.449 55.449 57.377 -1.928 25657 310 1 . 1 1 575 575 MET CB C 575 29.385 29.385 31.698 -2.313 25657 311 1 . 1 1 575 575 MET H H 575 7.209 7.209 7.880 -0.672 25657 312 1 . 1 1 579 579 GLU N N 579 123.708 123.708 122.287 1.421 25657 313 1 . 1 1 579 579 GLU HA H 579 4.402 4.402 3.903 0.499 25657 314 1 . 1 1 579 579 GLU CA C 579 57.749 57.749 59.329 -1.580 25657 315 1 . 1 1 579 579 GLU CB C 579 29.193 29.193 29.467 -0.274 25657 316 1 . 1 1 579 579 GLU H H 579 8.893 8.893 8.830 0.063 25657 317 1 . 1 1 580 580 GLN N N 580 119.901 119.901 118.573 1.328 25657 318 1 . 1 1 580 580 GLN HA H 580 4.231 4.231 4.079 0.152 25657 319 1 . 1 1 580 580 GLN CA C 580 58.200 58.200 58.743 -0.543 25657 320 1 . 1 1 580 580 GLN CB C 580 29.385 29.385 28.162 1.223 25657 321 1 . 1 1 580 580 GLN H H 580 7.768 7.768 8.343 -0.575 25657 322 1 . 1 1 581 581 VAL N N 581 118.005 118.005 119.622 -1.617 25657 323 1 . 1 1 581 581 VAL HA H 581 3.786 3.786 3.412 0.374 25657 324 1 . 1 1 581 581 VAL CA C 581 61.326 61.326 66.564 -5.238 25657 325 1 . 1 1 581 581 VAL CB C 581 34.495 34.495 31.201 3.294 25657 326 1 . 1 1 581 581 VAL H H 581 8.874 8.874 8.104 0.770 25657 327 1 . 1 1 582 582 ASP N N 582 123.700 123.700 119.372 4.328 25657 328 1 . 1 1 582 582 ASP HA H 582 4.161 4.161 4.245 -0.084 25657 329 1 . 1 1 582 582 ASP CA C 582 58.260 58.260 57.484 0.776 25657 330 1 . 1 1 582 582 ASP CB C 582 39.355 39.355 40.432 -1.077 25657 331 1 . 1 1 582 582 ASP H H 582 7.604 7.604 7.904 -0.300 25657 332 1 . 1 1 583 583 ASP N N 583 119.292 119.292 119.663 -0.371 25657 333 1 . 1 1 583 583 ASP HA H 583 4.546 4.546 4.453 0.093 25657 334 1 . 1 1 583 583 ASP CA C 583 54.938 54.938 56.985 -2.047 25657 335 1 . 1 1 583 583 ASP CB C 583 40.628 40.628 40.877 -0.249 25657 336 1 . 1 1 583 583 ASP H H 583 8.376 8.376 7.653 0.723 25657 337 1 . 1 1 584 584 VAL N N 584 121.900 121.900 120.120 1.780 25657 338 1 . 1 1 584 584 VAL HA H 584 3.727 3.727 3.580 0.147 25657 339 1 . 1 1 584 584 VAL CA C 584 65.159 65.159 66.329 -1.170 25657 340 1 . 1 1 584 584 VAL CB C 584 31.429 31.429 31.459 -0.030 25657 341 1 . 1 1 584 584 VAL H H 584 7.732 7.732 7.718 0.014 25657 342 1 . 1 1 585 585 LEU N N 585 119.481 119.481 119.529 -0.048 25657 343 1 . 1 1 585 585 LEU HA H 585 3.879 3.879 3.798 0.081 25657 344 1 . 1 1 585 585 LEU CA C 585 57.493 57.493 58.292 -0.799 25657 345 1 . 1 1 585 585 LEU CB C 585 40.628 40.628 41.119 -0.491 25657 346 1 . 1 1 585 585 LEU H H 585 8.018 8.018 8.079 -0.061 25657 347 1 . 1 1 586 586 GLU N N 586 118.081 118.081 118.342 -0.261 25657 348 1 . 1 1 586 586 GLU HA H 586 4.283 4.283 3.912 0.371 25657 349 1 . 1 1 586 586 GLU CA C 586 55.704 55.704 59.573 -3.869 25657 350 1 . 1 1 586 586 GLU CB C 586 29.129 29.129 29.247 -0.118 25657 351 1 . 1 1 586 586 GLU H H 586 7.729 7.729 7.913 -0.184 25657 352 1 . 1 1 587 587 THR HA H 587 3.882 3.882 4.032 -0.150 25657 353 1 . 1 1 587 587 THR CA C 587 66.400 66.400 66.549 -0.149 25657 354 1 . 1 1 587 587 THR CB C 587 68.288 68.288 68.628 -0.340 25657 355 1 . 1 1 588 588 ILE HA H 588 3.484 3.484 3.702 -0.218 25657 356 1 . 1 1 588 588 ILE CA C 588 64.025 64.025 64.578 -0.553 25657 357 1 . 1 1 588 588 ILE CB C 588 37.562 37.562 37.515 0.047 25657 358 1 . 1 1 589 589 SER HA H 589 4.403 4.403 4.133 0.270 25657 359 1 . 1 1 589 589 SER CA C 589 58.477 58.477 60.679 -2.202 25657 360 1 . 1 1 589 589 SER CB C 589 63.314 63.314 63.538 -0.224 25657 361 1 . 1 1 590 590 ALA N N 590 121.916 121.916 124.006 -2.090 25657 362 1 . 1 1 590 590 ALA HA H 590 4.329 4.329 4.175 0.154 25657 363 1 . 1 1 590 590 ALA CA C 590 51.871 51.871 53.892 -2.021 25657 364 1 . 1 1 590 590 ALA CB C 590 19.324 19.324 19.143 0.181 25657 365 1 . 1 1 590 590 ALA H H 590 7.097 7.097 7.407 -0.310 25657 366 1 . 1 1 591 591 ILE N N 591 119.802 119.802 118.058 1.744 25657 367 1 . 1 1 591 591 ILE HA H 591 4.175 4.175 4.136 0.039 25657 368 1 . 1 1 591 591 ILE CA C 591 61.070 61.070 60.392 0.678 25657 369 1 . 1 1 591 591 ILE CB C 591 38.584 38.584 38.445 0.139 25657 370 1 . 1 1 591 591 ILE H H 591 7.990 7.990 7.438 0.552 25657 371 1 . 1 1 593 593 HIS HA H 593 4.874 4.874 4.962 -0.087 25657 372 1 . 1 1 593 593 HIS CA C 593 53.660 53.660 53.226 0.434 25657 373 1 . 1 1 593 593 HIS CB C 593 30.094 30.094 29.822 0.272 25657 374 1 . 1 1 594 594 PRO HA H 594 4.325 4.325 4.339 -0.014 25657 375 1 . 1 1 594 594 PRO CA C 594 63.355 63.355 64.340 -0.985 25657 376 1 . 1 1 594 594 PRO CB C 594 31.940 31.940 32.259 -0.319 25657 377 1 . 1 1 595 595 MET N N 595 120.044 120.044 116.061 3.983 25657 378 1 . 1 1 595 595 MET H H 595 8.232 8.232 8.187 0.045 25657 379 1 . 1 1 596 596 THR HA H 596 3.558 3.558 4.008 -0.451 25657 380 1 . 1 1 596 596 THR CA C 596 68.481 68.481 66.056 2.425 25657 381 1 . 1 1 596 596 THR CB C 596 68.225 68.225 68.170 0.055 25657 382 1 . 1 1 597 597 SER HA H 597 3.998 3.998 4.107 -0.109 25657 383 1 . 1 1 597 597 SER CA C 597 61.070 61.070 61.691 -0.621 25657 384 1 . 1 1 597 597 SER CB C 597 62.859 62.859 62.764 0.095 25657 385 1 . 1 1 598 598 ALA HA H 598 4.136 4.136 4.092 0.044 25657 386 1 . 1 1 598 598 ALA CA C 598 54.171 54.171 54.901 -0.730 25657 387 1 . 1 1 598 598 ALA CB C 598 18.141 18.141 18.246 -0.105 25657 388 1 . 1 1 599 599 ILE HA H 599 3.456 3.456 3.647 -0.191 25657 389 1 . 1 1 599 599 ILE CA C 599 66.181 66.181 64.641 1.540 25657 390 1 . 1 1 599 599 ILE CB C 599 37.802 37.802 37.762 0.040 25657 391 1 . 1 1 600 600 GLU HA H 600 3.658 3.658 3.953 -0.295 25657 392 1 . 1 1 600 600 GLU CA C 600 60.048 60.048 59.994 0.054 25657 393 1 . 1 1 600 600 GLU CB C 600 29.385 29.385 29.600 -0.215 25657 394 1 . 1 1 601 601 VAL HA H 601 3.735 3.735 3.757 -0.022 25657 395 1 . 1 1 601 601 VAL CA C 601 65.926 65.926 65.801 0.125 25657 396 1 . 1 1 601 601 VAL CB C 601 31.684 31.684 31.506 0.178 25657 397 1 . 1 1 603 603 VAL HA H 603 3.734 3.734 3.709 0.025 25657 398 1 . 1 1 603 603 VAL CA C 603 65.415 65.415 65.629 -0.214 25657 399 1 . 1 1 603 603 VAL CB C 603 31.684 31.684 31.235 0.449 25657 400 1 . 1 1 604 604 GLY CA C 604 47.272 47.272 46.526 0.746 25657 401 1 . 1 1 606 606 CYS HA H 606 4.827 4.827 4.319 0.508 25657 402 1 . 1 1 606 606 CYS CA C 606 54.938 54.938 58.845 -3.907 25657 403 1 . 1 1 606 606 CYS CB C 606 33.218 33.218 25.676 7.542 25657 404 1 . 1 1 607 607 ALA HA H 607 4.652 4.652 4.459 0.193 25657 405 1 . 1 1 607 607 ALA CA C 607 54.682 54.682 51.435 3.247 25657 406 1 . 1 1 607 607 ALA CB C 607 19.419 19.419 19.830 -0.411 25657 stop_ save_