data_19213 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19213 _Entry.PDB_ID 2M7U 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 19213 _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 1 430 430 ALA N N 430 132.375 132.375 123.258 9.117 19213 2 1 1 . 1 1 430 430 ALA CA C 430 51.092 51.092 51.877 -0.785 19213 3 1 1 . 1 1 430 430 ALA CB C 430 21.474 21.474 20.186 1.288 19213 4 1 1 . 1 1 430 430 ALA H H 430 8.772 8.772 8.067 0.705 19213 5 1 1 . 1 1 431 431 ALA N N 431 117.710 117.710 123.459 -5.749 19213 6 1 1 . 1 1 431 431 ALA HA H 431 4.346 4.346 4.419 -0.073 19213 7 1 1 . 1 1 431 431 ALA C C 431 177.537 177.537 177.302 0.235 19213 8 1 1 . 1 1 431 431 ALA CA C 431 52.341 52.341 52.545 -0.204 19213 9 1 1 . 1 1 431 431 ALA CB C 431 19.209 19.209 19.138 0.071 19213 10 1 1 . 1 1 431 431 ALA H H 431 8.180 8.180 8.412 -0.232 19213 11 1 1 . 1 1 432 432 VAL N N 432 120.378 120.378 119.395 0.983 19213 12 1 1 . 1 1 432 432 VAL HA H 432 4.045 4.045 4.093 -0.048 19213 13 1 1 . 1 1 432 432 VAL C C 432 175.692 175.692 175.205 0.487 19213 14 1 1 . 1 1 432 432 VAL CA C 432 62.172 62.172 61.965 0.207 19213 15 1 1 . 1 1 432 432 VAL CB C 432 33.029 33.029 32.611 0.417 19213 16 1 1 . 1 1 432 432 VAL H H 432 8.191 8.191 7.511 0.680 19213 17 1 1 . 1 1 433 433 GLN N N 433 124.398 124.398 125.363 -0.965 19213 18 1 1 . 1 1 433 433 GLN CA C 433 54.855 54.855 54.983 -0.128 19213 19 1 1 . 1 1 433 433 GLN CB C 433 29.530 29.530 29.799 -0.269 19213 20 1 1 . 1 1 433 433 GLN H H 433 8.525 8.525 8.467 0.058 19213 21 1 1 . 1 1 435 435 SER HA H 435 4.074 4.074 4.057 0.017 19213 22 1 1 . 1 1 435 435 SER C C 435 178.865 178.865 175.642 3.223 19213 23 1 1 . 1 1 435 435 SER CA C 435 60.402 60.402 61.027 -0.625 19213 24 1 1 . 1 1 435 435 SER CB C 435 62.858 62.858 62.764 0.094 19213 25 1 1 . 1 1 436 436 GLU N N 436 119.935 119.935 119.542 0.393 19213 26 1 1 . 1 1 436 436 GLU HA H 436 4.309 4.309 4.144 0.165 19213 27 1 1 . 1 1 436 436 GLU C C 436 176.654 176.654 176.813 -0.159 19213 28 1 1 . 1 1 436 436 GLU CA C 436 56.095 56.095 57.803 -1.708 19213 29 1 1 . 1 1 436 436 GLU CB C 436 30.278 30.278 30.176 0.102 19213 30 1 1 . 1 1 436 436 GLU H H 436 7.847 7.847 7.651 0.196 19213 31 1 1 . 1 1 437 437 LEU N N 437 120.616 120.616 120.482 0.134 19213 32 1 1 . 1 1 437 437 LEU CA C 437 55.492 55.492 53.830 1.662 19213 33 1 1 . 1 1 437 437 LEU CB C 437 43.512 43.512 43.229 0.283 19213 34 1 1 . 1 1 437 437 LEU H H 437 7.349 7.349 7.919 -0.570 19213 35 1 1 . 1 1 440 440 ARG HA H 440 3.274 3.274 3.889 -0.615 19213 36 1 1 . 1 1 440 440 ARG C C 440 175.983 175.983 178.274 -2.291 19213 37 1 1 . 1 1 440 440 ARG CA C 440 60.018 60.018 58.605 1.413 19213 38 1 1 . 1 1 440 440 ARG CB C 440 30.268 30.268 29.970 0.298 19213 39 1 1 . 1 1 441 441 GLN N N 441 117.801 117.801 119.444 -1.643 19213 40 1 1 . 1 1 441 441 GLN HA H 441 3.804 3.804 4.448 -0.644 19213 41 1 1 . 1 1 441 441 GLN C C 441 178.030 178.030 177.548 0.482 19213 42 1 1 . 1 1 441 441 GLN CA C 441 58.764 58.764 58.301 0.463 19213 43 1 1 . 1 1 441 441 GLN CB C 441 27.434 27.434 28.470 -1.036 19213 44 1 1 . 1 1 441 441 GLN H H 441 8.079 8.079 8.405 -0.326 19213 45 1 1 . 1 1 442 442 ALA N N 442 120.194 120.194 122.947 -2.753 19213 46 1 1 . 1 1 442 442 ALA HA H 442 4.123 4.123 4.143 -0.020 19213 47 1 1 . 1 1 442 442 ALA C C 442 181.577 181.577 179.373 2.204 19213 48 1 1 . 1 1 442 442 ALA CA C 442 54.940 54.940 54.829 0.111 19213 49 1 1 . 1 1 442 442 ALA CB C 442 18.705 18.705 18.445 0.260 19213 50 1 1 . 1 1 442 442 ALA H H 442 7.914 7.914 7.438 0.476 19213 51 1 1 . 1 1 443 443 ILE N N 443 120.712 120.712 115.531 5.181 19213 52 1 1 . 1 1 443 443 ILE HA H 443 3.445 3.445 3.589 -0.144 19213 53 1 1 . 1 1 443 443 ILE C C 443 177.663 177.663 177.629 0.034 19213 54 1 1 . 1 1 443 443 ILE CA C 443 65.907 65.907 64.188 1.719 19213 55 1 1 . 1 1 443 443 ILE CB C 443 37.169 37.169 36.868 0.301 19213 56 1 1 . 1 1 443 443 ILE H H 443 7.663 7.663 7.260 0.403 19213 57 1 1 . 1 1 444 444 PHE N N 444 119.033 119.033 119.068 -0.035 19213 58 1 1 . 1 1 444 444 PHE HA H 444 4.311 4.311 4.144 0.167 19213 59 1 1 . 1 1 444 444 PHE C C 444 178.273 178.273 177.880 0.393 19213 60 1 1 . 1 1 444 444 PHE CA C 444 58.956 58.956 61.500 -2.544 19213 61 1 1 . 1 1 444 444 PHE CB C 444 38.154 38.154 38.074 0.080 19213 62 1 1 . 1 1 444 444 PHE H H 444 8.077 8.077 7.512 0.565 19213 63 1 1 . 1 1 445 445 GLU N N 445 115.469 115.469 120.132 -4.663 19213 64 1 1 . 1 1 445 445 GLU HA H 445 4.399 4.399 3.990 0.409 19213 65 1 1 . 1 1 445 445 GLU C C 445 179.822 179.822 179.058 0.764 19213 66 1 1 . 1 1 445 445 GLU CA C 445 58.472 58.472 59.778 -1.306 19213 67 1 1 . 1 1 445 445 GLU CB C 445 28.797 28.797 29.293 -0.496 19213 68 1 1 . 1 1 445 445 GLU H H 445 8.746 8.746 8.168 0.578 19213 69 1 1 . 1 1 446 446 THR N N 446 117.987 117.987 116.225 1.762 19213 70 1 1 . 1 1 446 446 THR HA H 446 4.067 4.067 4.009 0.058 19213 71 1 1 . 1 1 446 446 THR C C 446 175.802 175.802 176.740 -0.938 19213 72 1 1 . 1 1 446 446 THR CA C 446 66.959 66.959 66.909 0.050 19213 73 1 1 . 1 1 446 446 THR CB C 446 68.289 68.289 68.535 -0.246 19213 74 1 1 . 1 1 446 446 THR H H 446 8.139 8.139 7.562 0.577 19213 75 1 1 . 1 1 447 447 LEU N N 447 122.061 122.061 121.292 0.769 19213 76 1 1 . 1 1 447 447 LEU HA H 447 3.874 3.874 3.990 -0.116 19213 77 1 1 . 1 1 447 447 LEU C C 447 179.377 179.377 179.031 0.346 19213 78 1 1 . 1 1 447 447 LEU CA C 447 58.858 58.858 57.994 0.864 19213 79 1 1 . 1 1 447 447 LEU CB C 447 42.709 42.709 41.194 1.515 19213 80 1 1 . 1 1 447 447 LEU H H 447 8.608 8.608 7.542 1.066 19213 81 1 1 . 1 1 448 448 VAL N N 448 108.293 108.293 118.053 -9.760 19213 82 1 1 . 1 1 448 448 VAL HA H 448 3.973 3.973 3.704 0.269 19213 83 1 1 . 1 1 448 448 VAL C C 448 177.414 177.414 177.634 -0.220 19213 84 1 1 . 1 1 448 448 VAL CA C 448 64.624 64.624 66.275 -1.651 19213 85 1 1 . 1 1 448 448 VAL CB C 448 29.895 29.895 30.995 -1.100 19213 86 1 1 . 1 1 448 448 VAL H H 448 7.783 7.783 7.966 -0.183 19213 87 1 1 . 1 1 449 449 ALA N N 449 124.901 124.901 123.227 1.674 19213 88 1 1 . 1 1 449 449 ALA HA H 449 4.291 4.291 4.036 0.255 19213 89 1 1 . 1 1 449 449 ALA C C 449 181.177 181.177 179.587 1.590 19213 90 1 1 . 1 1 449 449 ALA CA C 449 55.144 55.144 55.370 -0.225 19213 91 1 1 . 1 1 449 449 ALA CB C 449 18.558 18.558 18.315 0.243 19213 92 1 1 . 1 1 449 449 ALA H H 449 7.477 7.477 8.740 -1.263 19213 93 1 1 . 1 1 450 450 LYS N N 450 118.438 118.438 118.537 -0.099 19213 94 1 1 . 1 1 450 450 LYS HA H 450 4.194 4.194 4.163 0.031 19213 95 1 1 . 1 1 450 450 LYS C C 450 180.027 180.027 179.534 0.493 19213 96 1 1 . 1 1 450 450 LYS CA C 450 58.274 58.274 58.672 -0.398 19213 97 1 1 . 1 1 450 450 LYS CB C 450 31.673 31.673 32.351 -0.678 19213 98 1 1 . 1 1 450 450 LYS H H 450 8.835 8.835 8.243 0.592 19213 99 1 1 . 1 1 451 451 GLY N N 451 108.035 108.035 107.626 0.409 19213 100 1 1 . 1 1 451 451 GLY C C 451 173.706 173.706 176.306 -2.600 19213 101 1 1 . 1 1 451 451 GLY CA C 451 47.992 47.992 47.355 0.637 19213 102 1 1 . 1 1 451 451 GLY H H 451 8.765 8.765 8.589 0.176 19213 103 1 1 . 1 1 452 452 ARG N N 452 122.460 122.460 120.086 2.374 19213 104 1 1 . 1 1 452 452 ARG HA H 452 4.080 4.080 4.146 -0.066 19213 105 1 1 . 1 1 452 452 ARG C C 452 178.863 178.863 177.893 0.970 19213 106 1 1 . 1 1 452 452 ARG CA C 452 60.572 60.572 58.986 1.586 19213 107 1 1 . 1 1 452 452 ARG CB C 452 30.407 30.407 29.869 0.538 19213 108 1 1 . 1 1 452 452 ARG H H 452 8.272 8.272 7.943 0.329 19213 109 1 1 . 1 1 453 453 GLU N N 453 119.784 119.784 119.604 0.180 19213 110 1 1 . 1 1 453 453 GLU HA H 453 4.096 4.096 4.140 -0.044 19213 111 1 1 . 1 1 453 453 GLU C C 453 178.778 178.778 178.565 0.213 19213 112 1 1 . 1 1 453 453 GLU CA C 453 59.023 59.023 58.682 0.341 19213 113 1 1 . 1 1 453 453 GLU CB C 453 30.241 30.241 29.856 0.385 19213 114 1 1 . 1 1 453 453 GLU H H 453 7.894 7.894 7.622 0.272 19213 115 1 1 . 1 1 454 454 LEU N N 454 119.313 119.313 118.275 1.038 19213 116 1 1 . 1 1 454 454 LEU HA H 454 4.171 4.171 4.052 0.119 19213 117 1 1 . 1 1 454 454 LEU C C 454 178.457 178.457 178.829 -0.372 19213 118 1 1 . 1 1 454 454 LEU CA C 454 57.869 57.869 57.452 0.417 19213 119 1 1 . 1 1 454 454 LEU CB C 454 42.922 42.922 42.246 0.676 19213 120 1 1 . 1 1 454 454 LEU H H 454 8.328 8.328 8.450 -0.122 19213 121 1 1 . 1 1 455 455 LEU N N 455 113.192 113.192 115.011 -1.819 19213 122 1 1 . 1 1 455 455 LEU HA H 455 4.380 4.380 4.316 0.064 19213 123 1 1 . 1 1 455 455 LEU C C 455 176.795 176.795 176.342 0.453 19213 124 1 1 . 1 1 455 455 LEU CA C 455 54.643 54.643 54.290 0.353 19213 125 1 1 . 1 1 455 455 LEU CB C 455 43.897 43.897 42.380 1.517 19213 126 1 1 . 1 1 455 455 LEU H H 455 7.424 7.424 7.348 0.076 19213 127 1 1 . 1 1 456 456 ALA N N 456 124.175 124.175 119.692 4.483 19213 128 1 1 . 1 1 456 456 ALA HA H 456 4.244 4.244 4.166 0.078 19213 129 1 1 . 1 1 456 456 ALA C C 456 177.051 177.051 176.875 0.176 19213 130 1 1 . 1 1 456 456 ALA CA C 456 52.975 52.975 52.443 0.532 19213 131 1 1 . 1 1 456 456 ALA CB C 456 16.514 16.514 16.269 0.245 19213 132 1 1 . 1 1 456 456 ALA H H 456 8.573 8.573 7.217 1.356 19213 133 1 1 . 1 1 457 457 CYS N N 457 111.282 111.282 118.632 -7.350 19213 134 1 1 . 1 1 457 457 CYS HA H 457 5.592 5.592 4.495 1.097 19213 135 1 1 . 1 1 457 457 CYS C C 457 172.935 172.935 175.090 -2.155 19213 136 1 1 . 1 1 457 457 CYS CA C 457 54.876 54.876 59.486 -4.610 19213 137 1 1 . 1 1 457 457 CYS CB C 457 29.887 29.887 29.792 0.095 19213 138 1 1 . 1 1 457 457 CYS H H 457 7.000 7.000 7.848 -0.848 19213 139 1 1 . 1 1 458 458 ASP N N 458 117.373 117.373 120.645 -3.272 19213 140 1 1 . 1 1 458 458 ASP HA H 458 4.834 4.834 4.624 0.210 19213 141 1 1 . 1 1 458 458 ASP C C 458 175.463 175.463 175.726 -0.263 19213 142 1 1 . 1 1 458 458 ASP CA C 458 57.972 57.972 56.395 1.577 19213 143 1 1 . 1 1 458 458 ASP CB C 458 42.753 42.753 41.369 1.384 19213 144 1 1 . 1 1 458 458 ASP H H 458 7.265 7.265 8.446 -1.181 19213 145 1 1 . 1 1 459 459 ARG N N 459 117.328 117.328 118.290 -0.962 19213 146 1 1 . 1 1 459 459 ARG HA H 459 5.511 5.511 4.949 0.562 19213 147 1 1 . 1 1 459 459 ARG C C 459 174.652 174.652 173.799 0.853 19213 148 1 1 . 1 1 459 459 ARG CA C 459 55.593 55.593 54.932 0.661 19213 149 1 1 . 1 1 459 459 ARG CB C 459 35.294 35.294 33.509 1.785 19213 150 1 1 . 1 1 459 459 ARG H H 459 8.099 8.099 7.495 0.604 19213 151 1 1 . 1 1 460 460 VAL N N 460 127.029 127.029 120.530 6.499 19213 152 1 1 . 1 1 460 460 VAL HA H 460 5.182 5.182 4.495 0.687 19213 153 1 1 . 1 1 460 460 VAL C C 460 174.538 174.538 172.895 1.643 19213 154 1 1 . 1 1 460 460 VAL CA C 460 61.684 61.684 60.901 0.783 19213 155 1 1 . 1 1 460 460 VAL CB C 460 35.157 35.157 34.916 0.241 19213 156 1 1 . 1 1 460 460 VAL H H 460 9.215 9.215 8.558 0.657 19213 157 1 1 . 1 1 461 461 ILE N N 461 118.191 118.191 125.214 -7.023 19213 158 1 1 . 1 1 461 461 ILE HA H 461 5.269 5.269 4.551 0.718 19213 159 1 1 . 1 1 461 461 ILE C C 461 174.436 174.436 173.340 1.096 19213 160 1 1 . 1 1 461 461 ILE CA C 461 58.897 58.897 59.142 -0.245 19213 161 1 1 . 1 1 461 461 ILE CB C 461 41.973 41.973 41.602 0.371 19213 162 1 1 . 1 1 461 461 ILE H H 461 9.051 9.051 8.343 0.708 19213 163 1 1 . 1 1 462 462 VAL N N 462 119.036 119.036 127.227 -8.191 19213 164 1 1 . 1 1 462 462 VAL HA H 462 4.218 4.218 4.399 -0.181 19213 165 1 1 . 1 1 462 462 VAL C C 462 173.040 173.040 173.989 -0.949 19213 166 1 1 . 1 1 462 462 VAL CA C 462 62.382 62.382 60.755 1.627 19213 167 1 1 . 1 1 462 462 VAL CB C 462 33.016 33.016 34.067 -1.051 19213 168 1 1 . 1 1 462 462 VAL H H 462 7.266 7.266 8.002 -0.736 19213 169 1 1 . 1 1 463 463 TYR N N 463 131.813 131.813 123.069 8.744 19213 170 1 1 . 1 1 463 463 TYR HA H 463 4.634 4.634 5.191 -0.557 19213 171 1 1 . 1 1 463 463 TYR C C 463 172.062 172.062 173.132 -1.070 19213 172 1 1 . 1 1 463 463 TYR CA C 463 54.971 54.971 54.854 0.117 19213 173 1 1 . 1 1 463 463 TYR CB C 463 40.572 40.572 41.129 -0.557 19213 174 1 1 . 1 1 463 463 TYR H H 463 8.796 8.796 7.308 1.488 19213 175 1 1 . 1 1 464 464 ALA N N 464 127.309 127.309 123.208 4.101 19213 176 1 1 . 1 1 464 464 ALA HA H 464 3.810 3.810 4.080 -0.270 19213 177 1 1 . 1 1 464 464 ALA C C 464 176.605 176.605 175.909 0.696 19213 178 1 1 . 1 1 464 464 ALA CA C 464 50.931 50.931 50.484 0.447 19213 179 1 1 . 1 1 464 464 ALA CB C 464 21.945 21.945 19.974 1.971 19213 180 1 1 . 1 1 464 464 ALA H H 464 8.423 8.423 8.166 0.257 19213 181 1 1 . 1 1 465 465 PHE N N 465 119.567 119.567 120.895 -1.328 19213 182 1 1 . 1 1 465 465 PHE HA H 465 4.635 4.635 4.456 0.179 19213 183 1 1 . 1 1 465 465 PHE C C 465 176.576 176.576 175.550 1.026 19213 184 1 1 . 1 1 465 465 PHE CA C 465 57.430 57.430 59.828 -2.398 19213 185 1 1 . 1 1 465 465 PHE CB C 465 41.434 41.434 40.168 1.266 19213 186 1 1 . 1 1 465 465 PHE H H 465 7.687 7.687 8.737 -1.050 19213 187 1 1 . 1 1 466 466 ASP N N 466 120.914 120.914 122.404 -1.490 19213 188 1 1 . 1 1 466 466 ASP HA H 466 4.699 4.699 4.884 -0.185 19213 189 1 1 . 1 1 466 466 ASP C C 466 178.481 178.481 176.844 1.637 19213 190 1 1 . 1 1 466 466 ASP CA C 466 51.837 51.837 53.230 -1.393 19213 191 1 1 . 1 1 466 466 ASP CB C 466 40.950 40.950 42.614 -1.664 19213 192 1 1 . 1 1 466 466 ASP H H 466 7.829 7.829 8.055 -0.226 19213 193 1 1 . 1 1 467 467 ASP N N 467 115.889 115.889 117.713 -1.824 19213 194 1 1 . 1 1 467 467 ASP HA H 467 4.018 4.018 4.586 -0.568 19213 195 1 1 . 1 1 467 467 ASP C C 467 176.022 176.022 176.049 -0.027 19213 196 1 1 . 1 1 467 467 ASP CA C 467 56.052 56.052 56.121 -0.070 19213 197 1 1 . 1 1 467 467 ASP CB C 467 40.144 40.144 40.583 -0.439 19213 198 1 1 . 1 1 467 467 ASP H H 467 8.138 8.138 8.722 -0.584 19213 199 1 1 . 1 1 468 468 ASN N N 468 116.903 116.903 117.926 -1.023 19213 200 1 1 . 1 1 468 468 ASN HA H 468 4.954 4.954 4.839 0.115 19213 201 1 1 . 1 1 468 468 ASN C C 468 174.155 174.155 174.705 -0.550 19213 202 1 1 . 1 1 468 468 ASN CA C 468 52.052 52.052 52.429 -0.377 19213 203 1 1 . 1 1 468 468 ASN CB C 468 39.733 39.733 37.921 1.812 19213 204 1 1 . 1 1 468 468 ASN H H 468 8.076 8.076 8.217 -0.141 19213 205 1 1 . 1 1 469 469 TYR N N 469 112.788 112.788 113.664 -0.876 19213 206 1 1 . 1 1 469 469 TYR HA H 469 3.249 3.249 4.186 -0.937 19213 207 1 1 . 1 1 469 469 TYR C C 469 175.377 175.377 174.533 0.844 19213 208 1 1 . 1 1 469 469 TYR CA C 469 61.891 61.891 58.974 2.917 19213 209 1 1 . 1 1 469 469 TYR CB C 469 34.352 34.352 36.081 -1.728 19213 210 1 1 . 1 1 469 469 TYR H H 469 7.785 7.785 7.571 0.214 19213 211 1 1 . 1 1 470 470 VAL N N 470 122.718 122.718 118.329 4.389 19213 212 1 1 . 1 1 470 470 VAL HA H 470 4.010 4.010 4.364 -0.354 19213 213 1 1 . 1 1 470 470 VAL CA C 470 63.699 63.699 61.811 1.888 19213 214 1 1 . 1 1 470 470 VAL CB C 470 30.721 30.721 33.115 -2.394 19213 215 1 1 . 1 1 470 470 VAL H H 470 8.666 8.666 7.394 1.272 19213 216 1 1 . 1 1 471 471 GLY C C 471 170.959 170.959 172.850 -1.891 19213 217 1 1 . 1 1 471 471 GLY CA C 471 43.674 43.674 43.593 0.081 19213 218 1 1 . 1 1 472 472 THR N N 472 118.003 118.003 115.513 2.490 19213 219 1 1 . 1 1 472 472 THR HA H 472 4.931 4.931 4.599 0.332 19213 220 1 1 . 1 1 472 472 THR C C 472 174.282 174.282 173.972 0.310 19213 221 1 1 . 1 1 472 472 THR CA C 472 61.142 61.142 61.494 -0.352 19213 222 1 1 . 1 1 472 472 THR CB C 472 70.941 70.941 70.985 -0.044 19213 223 1 1 . 1 1 472 472 THR H H 472 8.150 8.150 7.992 0.158 19213 224 1 1 . 1 1 473 473 VAL N N 473 126.802 126.802 129.976 -3.174 19213 225 1 1 . 1 1 473 473 VAL HA H 473 4.552 4.552 4.152 0.400 19213 226 1 1 . 1 1 473 473 VAL C C 473 175.472 175.472 176.849 -1.377 19213 227 1 1 . 1 1 473 473 VAL CA C 473 62.066 62.066 62.614 -0.548 19213 228 1 1 . 1 1 473 473 VAL CB C 473 29.572 29.572 29.614 -0.042 19213 229 1 1 . 1 1 473 473 VAL H H 473 8.740 8.740 9.206 -0.466 19213 230 1 1 . 1 1 474 474 VAL N N 474 122.729 122.729 121.943 0.786 19213 231 1 1 . 1 1 474 474 VAL HA H 474 4.394 4.394 4.062 0.332 19213 232 1 1 . 1 1 474 474 VAL C C 474 175.653 175.653 174.687 0.966 19213 233 1 1 . 1 1 474 474 VAL CA C 474 62.168 62.168 62.450 -0.282 19213 234 1 1 . 1 1 474 474 VAL CB C 474 32.041 32.041 31.307 0.734 19213 235 1 1 . 1 1 474 474 VAL H H 474 7.753 7.753 8.051 -0.298 19213 236 1 1 . 1 1 475 475 ALA N N 475 117.768 117.768 121.005 -3.237 19213 237 1 1 . 1 1 475 475 ALA HA H 475 4.493 4.493 4.654 -0.161 19213 238 1 1 . 1 1 475 475 ALA C C 475 174.317 174.317 174.530 -0.213 19213 239 1 1 . 1 1 475 475 ALA CA C 475 52.144 52.144 52.035 0.109 19213 240 1 1 . 1 1 475 475 ALA CB C 475 23.434 23.434 21.355 2.079 19213 241 1 1 . 1 1 475 475 ALA H H 475 7.366 7.366 7.113 0.253 19213 242 1 1 . 1 1 476 476 GLU N N 476 122.294 122.294 122.555 -0.261 19213 243 1 1 . 1 1 476 476 GLU HA H 476 5.143 5.143 4.687 0.456 19213 244 1 1 . 1 1 476 476 GLU C C 476 173.452 173.452 174.713 -1.261 19213 245 1 1 . 1 1 476 476 GLU CA C 476 55.216 55.216 55.702 -0.486 19213 246 1 1 . 1 1 476 476 GLU CB C 476 36.288 36.288 33.272 3.016 19213 247 1 1 . 1 1 476 476 GLU H H 476 8.455 8.455 8.544 -0.089 19213 248 1 1 . 1 1 477 477 SER N N 477 121.014 121.014 120.614 0.400 19213 249 1 1 . 1 1 477 477 SER HA H 477 4.910 4.910 4.937 -0.027 19213 250 1 1 . 1 1 477 477 SER C C 477 173.417 173.417 172.335 1.082 19213 251 1 1 . 1 1 477 477 SER CA C 477 56.576 56.576 57.440 -0.864 19213 252 1 1 . 1 1 477 477 SER CB C 477 63.836 63.836 64.706 -0.870 19213 253 1 1 . 1 1 477 477 SER H H 477 8.867 8.867 8.449 0.418 19213 254 1 1 . 1 1 478 478 VAL N N 478 128.791 128.791 122.183 6.608 19213 255 1 1 . 1 1 478 478 VAL HA H 478 5.361 5.361 4.832 0.529 19213 256 1 1 . 1 1 478 478 VAL C C 478 172.729 172.729 174.740 -2.011 19213 257 1 1 . 1 1 478 478 VAL CA C 478 58.657 58.657 59.536 -0.879 19213 258 1 1 . 1 1 478 478 VAL CB C 478 35.971 35.971 35.708 0.264 19213 259 1 1 . 1 1 478 478 VAL H H 478 9.143 9.143 8.280 0.863 19213 260 1 1 . 1 1 479 479 ALA N N 479 129.671 129.671 127.756 1.915 19213 261 1 1 . 1 1 479 479 ALA HA H 479 4.373 4.373 4.427 -0.054 19213 262 1 1 . 1 1 479 479 ALA C C 479 176.732 176.732 177.143 -0.411 19213 263 1 1 . 1 1 479 479 ALA CA C 479 52.231 52.231 52.409 -0.178 19213 264 1 1 . 1 1 479 479 ALA CB C 479 20.053 20.053 19.903 0.150 19213 265 1 1 . 1 1 479 479 ALA H H 479 8.632 8.632 8.435 0.197 19213 266 1 1 . 1 1 480 480 GLU N N 480 120.434 120.434 119.097 1.337 19213 267 1 1 . 1 1 480 480 GLU HA H 480 4.028 4.028 4.068 -0.040 19213 268 1 1 . 1 1 480 480 GLU C C 480 177.151 177.151 176.766 0.385 19213 269 1 1 . 1 1 480 480 GLU CA C 480 58.179 58.179 57.368 0.811 19213 270 1 1 . 1 1 480 480 GLU CB C 480 29.797 29.797 29.268 0.529 19213 271 1 1 . 1 1 480 480 GLU H H 480 8.558 8.558 8.517 0.041 19213 272 1 1 . 1 1 481 481 GLY N N 481 110.914 110.914 111.987 -1.073 19213 273 1 1 . 1 1 481 481 GLY C C 481 174.073 174.073 173.880 0.193 19213 274 1 1 . 1 1 481 481 GLY CA C 481 44.681 44.681 44.148 0.533 19213 275 1 1 . 1 1 481 481 GLY H H 481 8.539 8.539 8.569 -0.030 19213 276 1 1 . 1 1 482 482 TRP N N 482 119.508 119.508 122.002 -2.494 19213 277 1 1 . 1 1 482 482 TRP HA H 482 5.290 5.290 4.979 0.311 19213 278 1 1 . 1 1 482 482 TRP CA C 482 53.659 53.659 54.203 -0.544 19213 279 1 1 . 1 1 482 482 TRP CB C 482 29.487 29.487 29.458 0.029 19213 280 1 1 . 1 1 482 482 TRP H H 482 7.009 7.009 7.238 -0.229 19213 281 1 1 . 1 1 483 483 PRO HA H 483 4.426 4.426 4.577 -0.151 19213 282 1 1 . 1 1 483 483 PRO C C 483 175.722 175.722 175.668 0.054 19213 283 1 1 . 1 1 483 483 PRO CA C 483 63.259 63.259 62.629 0.630 19213 284 1 1 . 1 1 483 483 PRO CB C 483 33.238 33.238 32.455 0.783 19213 285 1 1 . 1 1 484 484 GLN N N 484 121.488 121.488 122.882 -1.394 19213 286 1 1 . 1 1 484 484 GLN HA H 484 4.936 4.936 4.423 0.513 19213 287 1 1 . 1 1 484 484 GLN C C 484 176.405 176.405 175.030 1.375 19213 288 1 1 . 1 1 484 484 GLN CA C 484 55.688 55.688 55.480 0.208 19213 289 1 1 . 1 1 484 484 GLN CB C 484 29.565 29.565 30.787 -1.222 19213 290 1 1 . 1 1 484 484 GLN H H 484 8.646 8.646 8.500 0.146 19213 291 1 1 . 1 1 485 485 ALA N N 485 133.617 133.617 126.279 7.338 19213 292 1 1 . 1 1 485 485 ALA HA H 485 4.340 4.340 4.503 -0.163 19213 293 1 1 . 1 1 485 485 ALA C C 485 176.317 176.317 176.103 0.214 19213 294 1 1 . 1 1 485 485 ALA CA C 485 51.289 51.289 51.969 -0.680 19213 295 1 1 . 1 1 485 485 ALA CB C 485 20.581 20.581 20.300 0.281 19213 296 1 1 . 1 1 485 485 ALA H H 485 11.964 11.964 9.734 2.230 19213 297 1 1 . 1 1 486 486 ARG N N 486 119.720 119.720 119.965 -0.245 19213 298 1 1 . 1 1 486 486 ARG HA H 486 3.300 3.300 4.066 -0.766 19213 299 1 1 . 1 1 486 486 ARG C C 486 175.502 175.502 175.604 -0.102 19213 300 1 1 . 1 1 486 486 ARG CA C 486 59.200 59.200 56.562 2.638 19213 301 1 1 . 1 1 486 486 ARG CB C 486 30.648 30.648 28.853 1.795 19213 302 1 1 . 1 1 486 486 ARG H H 486 8.235 8.235 7.941 0.293 19213 303 1 1 . 1 1 487 487 ASP N N 487 119.936 119.936 120.757 -0.821 19213 304 1 1 . 1 1 487 487 ASP HA H 487 4.141 4.141 4.134 0.007 19213 305 1 1 . 1 1 487 487 ASP C C 487 175.557 175.557 174.538 1.019 19213 306 1 1 . 1 1 487 487 ASP CA C 487 57.148 57.148 55.690 1.458 19213 307 1 1 . 1 1 487 487 ASP CB C 487 39.031 39.031 40.473 -1.442 19213 308 1 1 . 1 1 487 487 ASP H H 487 9.023 9.023 9.026 -0.003 19213 309 1 1 . 1 1 488 488 GLN N N 488 119.954 119.954 117.846 2.108 19213 310 1 1 . 1 1 488 488 GLN HA H 488 4.147 4.147 4.570 -0.423 19213 311 1 1 . 1 1 488 488 GLN C C 488 174.993 174.993 174.649 0.344 19213 312 1 1 . 1 1 488 488 GLN CA C 488 57.475 57.475 54.661 2.814 19213 313 1 1 . 1 1 488 488 GLN CB C 488 28.866 28.866 31.470 -2.603 19213 314 1 1 . 1 1 488 488 GLN H H 488 8.200 8.200 7.738 0.462 19213 315 1 1 . 1 1 489 489 VAL N N 489 124.202 124.202 119.408 4.794 19213 316 1 1 . 1 1 489 489 VAL HA H 489 4.593 4.593 4.546 0.047 19213 317 1 1 . 1 1 489 489 VAL C C 489 177.060 177.060 174.501 2.559 19213 318 1 1 . 1 1 489 489 VAL CA C 489 61.871 61.871 60.188 1.683 19213 319 1 1 . 1 1 489 489 VAL CB C 489 32.575 32.575 32.866 -0.291 19213 320 1 1 . 1 1 489 489 VAL H H 489 8.379 8.379 8.426 -0.047 19213 321 1 1 . 1 1 490 490 ILE N N 490 128.772 128.772 126.681 2.091 19213 322 1 1 . 1 1 490 490 ILE HA H 490 4.433 4.433 4.097 0.336 19213 323 1 1 . 1 1 490 490 ILE C C 490 174.634 174.634 174.974 -0.340 19213 324 1 1 . 1 1 490 490 ILE CA C 490 60.464 60.464 59.293 1.171 19213 325 1 1 . 1 1 490 490 ILE CB C 490 41.025 41.025 36.340 4.685 19213 326 1 1 . 1 1 490 490 ILE H H 490 8.952 8.952 8.257 0.695 19213 327 1 1 . 1 1 491 491 GLU N N 491 130.867 130.867 128.438 2.429 19213 328 1 1 . 1 1 491 491 GLU HA H 491 4.598 4.598 4.426 0.172 19213 329 1 1 . 1 1 491 491 GLU C C 491 174.015 174.015 174.797 -0.782 19213 330 1 1 . 1 1 491 491 GLU CA C 491 55.930 55.930 55.488 0.442 19213 331 1 1 . 1 1 491 491 GLU CB C 491 28.942 28.942 30.519 -1.577 19213 332 1 1 . 1 1 491 491 GLU H H 491 9.289 9.289 8.657 0.632 19213 333 1 1 . 1 1 492 492 ASP N N 492 130.401 130.401 122.986 7.415 19213 334 1 1 . 1 1 492 492 ASP HA H 492 5.210 5.210 5.040 0.170 19213 335 1 1 . 1 1 492 492 ASP CA C 492 50.160 50.160 50.942 -0.782 19213 336 1 1 . 1 1 492 492 ASP CB C 492 43.965 43.965 41.608 2.357 19213 337 1 1 . 1 1 492 492 ASP H H 492 9.437 9.437 8.198 1.239 19213 338 1 1 . 1 1 493 493 PRO HA H 493 4.359 4.359 4.417 -0.058 19213 339 1 1 . 1 1 493 493 PRO C C 493 176.079 176.079 175.887 0.192 19213 340 1 1 . 1 1 493 493 PRO CA C 493 63.617 63.617 62.866 0.751 19213 341 1 1 . 1 1 493 493 PRO CB C 493 33.300 33.300 29.849 3.451 19213 342 1 1 . 1 1 494 494 CYS N N 494 117.251 117.251 118.327 -1.076 19213 343 1 1 . 1 1 494 494 CYS HA H 494 4.147 4.147 4.629 -0.482 19213 344 1 1 . 1 1 494 494 CYS C C 494 176.789 176.789 176.234 0.555 19213 345 1 1 . 1 1 494 494 CYS CA C 494 58.195 58.195 59.747 -1.552 19213 346 1 1 . 1 1 494 494 CYS CB C 494 33.343 33.343 28.752 4.591 19213 347 1 1 . 1 1 494 494 CYS H H 494 8.806 8.806 8.308 0.498 19213 348 1 1 . 1 1 495 495 PHE N N 495 118.785 118.785 120.720 -1.935 19213 349 1 1 . 1 1 495 495 PHE HA H 495 4.328 4.328 4.633 -0.305 19213 350 1 1 . 1 1 495 495 PHE C C 495 176.529 176.529 177.484 -0.955 19213 351 1 1 . 1 1 495 495 PHE CA C 495 63.265 63.265 59.976 3.289 19213 352 1 1 . 1 1 495 495 PHE CB C 495 37.239 37.239 37.828 -0.589 19213 353 1 1 . 1 1 495 495 PHE H H 495 6.799 6.799 8.185 -1.386 19213 354 1 1 . 1 1 496 496 ARG N N 496 118.755 118.755 119.110 -0.355 19213 355 1 1 . 1 1 496 496 ARG HA H 496 3.692 3.692 3.485 0.207 19213 356 1 1 . 1 1 496 496 ARG C C 496 178.119 178.119 176.603 1.516 19213 357 1 1 . 1 1 496 496 ARG CA C 496 58.495 58.495 58.103 0.392 19213 358 1 1 . 1 1 496 496 ARG CB C 496 29.942 29.942 28.587 1.355 19213 359 1 1 . 1 1 496 496 ARG H H 496 9.000 9.000 5.949 3.051 19213 360 1 1 . 1 1 497 497 GLU N N 497 115.895 115.895 118.592 -2.697 19213 361 1 1 . 1 1 497 497 GLU HA H 497 3.858 3.858 4.187 -0.329 19213 362 1 1 . 1 1 497 497 GLU C C 497 177.981 177.981 177.237 0.744 19213 363 1 1 . 1 1 497 497 GLU CA C 497 58.920 58.920 57.969 0.951 19213 364 1 1 . 1 1 497 497 GLU CB C 497 29.841 29.841 29.694 0.147 19213 365 1 1 . 1 1 497 497 GLU H H 497 7.849 7.849 8.014 -0.165 19213 366 1 1 . 1 1 498 498 HIS N N 498 111.119 111.119 116.765 -5.646 19213 367 1 1 . 1 1 498 498 HIS HA H 498 4.710 4.710 4.708 0.002 19213 368 1 1 . 1 1 498 498 HIS CA C 498 55.904 55.904 58.089 -2.185 19213 369 1 1 . 1 1 498 498 HIS CB C 498 30.890 30.890 30.372 0.518 19213 370 1 1 . 1 1 498 498 HIS H H 498 7.717 7.717 7.387 0.330 19213 371 1 1 . 1 1 499 499 TRP HA H 499 5.476 5.476 4.609 0.867 19213 372 1 1 . 1 1 499 499 TRP C C 499 176.398 176.398 177.760 -1.362 19213 373 1 1 . 1 1 499 499 TRP CA C 499 58.111 58.111 61.468 -3.357 19213 374 1 1 . 1 1 499 499 TRP CB C 499 34.294 34.294 28.883 5.411 19213 375 1 1 . 1 1 500 500 VAL N N 500 121.907 121.907 122.043 -0.136 19213 376 1 1 . 1 1 500 500 VAL HA H 500 3.421 3.421 3.345 0.076 19213 377 1 1 . 1 1 500 500 VAL C C 500 177.163 177.163 177.101 0.062 19213 378 1 1 . 1 1 500 500 VAL CA C 500 68.043 68.043 67.600 0.443 19213 379 1 1 . 1 1 500 500 VAL CB C 500 31.127 31.127 31.815 -0.688 19213 380 1 1 . 1 1 500 500 VAL H H 500 8.071 8.071 7.692 0.379 19213 381 1 1 . 1 1 501 501 GLU N N 501 117.634 117.634 119.622 -1.988 19213 382 1 1 . 1 1 501 501 GLU HA H 501 4.130 4.130 3.902 0.228 19213 383 1 1 . 1 1 501 501 GLU C C 501 178.314 178.314 178.584 -0.270 19213 384 1 1 . 1 1 501 501 GLU CA C 501 58.781 58.781 59.350 -0.569 19213 385 1 1 . 1 1 501 501 GLU CB C 501 28.631 28.631 28.703 -0.072 19213 386 1 1 . 1 1 501 501 GLU H H 501 8.188 8.188 8.271 -0.083 19213 387 1 1 . 1 1 502 502 ALA N N 502 120.830 120.830 122.399 -1.569 19213 388 1 1 . 1 1 502 502 ALA HA H 502 4.106 4.106 4.069 0.037 19213 389 1 1 . 1 1 502 502 ALA C C 502 181.963 181.963 180.319 1.644 19213 390 1 1 . 1 1 502 502 ALA CA C 502 54.953 54.953 54.686 0.267 19213 391 1 1 . 1 1 502 502 ALA CB C 502 18.558 18.558 18.178 0.380 19213 392 1 1 . 1 1 502 502 ALA H H 502 7.996 7.996 7.818 0.178 19213 393 1 1 . 1 1 503 503 TYR N N 503 118.238 118.238 119.110 -0.872 19213 394 1 1 . 1 1 503 503 TYR HA H 503 4.362 4.362 4.414 -0.052 19213 395 1 1 . 1 1 503 503 TYR C C 503 178.723 178.723 179.149 -0.426 19213 396 1 1 . 1 1 503 503 TYR CA C 503 64.148 64.148 60.203 3.945 19213 397 1 1 . 1 1 503 503 TYR CB C 503 39.126 39.126 38.025 1.101 19213 398 1 1 . 1 1 503 503 TYR H H 503 8.665 8.665 8.764 -0.099 19213 399 1 1 . 1 1 504 504 ARG N N 504 121.723 121.723 116.425 5.298 19213 400 1 1 . 1 1 504 504 ARG HA H 504 3.905 3.905 4.075 -0.170 19213 401 1 1 . 1 1 504 504 ARG C C 504 177.714 177.714 177.641 0.073 19213 402 1 1 . 1 1 504 504 ARG CA C 504 59.679 59.679 58.692 0.987 19213 403 1 1 . 1 1 504 504 ARG CB C 504 30.495 30.495 29.366 1.129 19213 404 1 1 . 1 1 504 504 ARG H H 504 8.824 8.824 8.073 0.751 19213 405 1 1 . 1 1 505 505 GLN N N 505 113.473 113.473 115.636 -2.163 19213 406 1 1 . 1 1 505 505 GLN HA H 505 4.332 4.332 4.364 -0.032 19213 407 1 1 . 1 1 505 505 GLN C C 505 176.403 176.403 176.754 -0.351 19213 408 1 1 . 1 1 505 505 GLN CA C 505 55.387 55.387 55.303 0.084 19213 409 1 1 . 1 1 505 505 GLN CB C 505 28.792 28.792 28.924 -0.132 19213 410 1 1 . 1 1 505 505 GLN H H 505 7.613 7.613 7.585 0.028 19213 411 1 1 . 1 1 506 506 GLY N N 506 106.968 106.968 107.703 -0.735 19213 412 1 1 . 1 1 506 506 GLY C C 506 174.133 174.133 174.062 0.071 19213 413 1 1 . 1 1 506 506 GLY CA C 506 45.874 45.874 44.914 0.960 19213 414 1 1 . 1 1 506 506 GLY H H 506 7.867 7.867 8.336 -0.469 19213 415 1 1 . 1 1 507 507 ARG N N 507 123.761 123.761 120.173 3.588 19213 416 1 1 . 1 1 507 507 ARG HA H 507 3.717 3.717 4.464 -0.747 19213 417 1 1 . 1 1 507 507 ARG C C 507 171.000 171.000 175.509 -4.509 19213 418 1 1 . 1 1 507 507 ARG CA C 507 58.285 58.285 55.570 2.715 19213 419 1 1 . 1 1 507 507 ARG CB C 507 29.901 29.901 31.489 -1.588 19213 420 1 1 . 1 1 507 507 ARG H H 507 7.858 7.858 7.751 0.107 19213 421 1 1 . 1 1 508 508 ILE N N 508 119.641 119.641 115.241 4.400 19213 422 1 1 . 1 1 508 508 ILE HA H 508 4.859 4.859 4.558 0.301 19213 423 1 1 . 1 1 508 508 ILE C C 508 176.521 176.521 174.464 2.057 19213 424 1 1 . 1 1 508 508 ILE CA C 508 59.199 59.199 58.895 0.304 19213 425 1 1 . 1 1 508 508 ILE CB C 508 42.573 42.573 42.321 0.252 19213 426 1 1 . 1 1 508 508 ILE H H 508 7.180 7.180 8.031 -0.851 19213 427 1 1 . 1 1 509 509 GLN N N 509 125.871 125.871 122.319 3.552 19213 428 1 1 . 1 1 509 509 GLN HA H 509 4.918 4.918 4.566 0.352 19213 429 1 1 . 1 1 509 509 GLN C C 509 173.750 173.750 173.847 -0.097 19213 430 1 1 . 1 1 509 509 GLN CA C 509 54.255 54.255 54.556 -0.301 19213 431 1 1 . 1 1 509 509 GLN CB C 509 32.267 32.267 31.935 0.332 19213 432 1 1 . 1 1 509 509 GLN H H 509 8.536 8.536 8.320 0.216 19213 433 1 1 . 1 1 510 510 ALA N N 510 133.952 133.952 130.609 3.343 19213 434 1 1 . 1 1 510 510 ALA HA H 510 4.946 4.946 5.909 -0.963 19213 435 1 1 . 1 1 510 510 ALA C C 510 175.742 175.742 176.613 -0.871 19213 436 1 1 . 1 1 510 510 ALA CA C 510 51.009 51.009 50.903 0.106 19213 437 1 1 . 1 1 510 510 ALA CB C 510 21.245 21.245 21.259 -0.014 19213 438 1 1 . 1 1 510 510 ALA H H 510 8.865 8.865 8.600 0.265 19213 439 1 1 . 1 1 511 511 THR N N 511 121.442 121.442 122.086 -0.644 19213 440 1 1 . 1 1 511 511 THR HA H 511 4.652 4.652 4.772 -0.120 19213 441 1 1 . 1 1 511 511 THR C C 511 174.487 174.487 174.565 -0.078 19213 442 1 1 . 1 1 511 511 THR CA C 511 62.152 62.152 61.834 0.318 19213 443 1 1 . 1 1 511 511 THR CB C 511 69.678 69.678 71.134 -1.456 19213 444 1 1 . 1 1 511 511 THR H H 511 9.368 9.368 8.984 0.384 19213 445 1 1 . 1 1 512 512 THR N N 512 126.491 126.491 119.515 6.976 19213 446 1 1 . 1 1 512 512 THR HA H 512 4.706 4.706 4.010 0.696 19213 447 1 1 . 1 1 512 512 THR C C 512 173.054 173.054 174.283 -1.229 19213 448 1 1 . 1 1 512 512 THR CA C 512 63.609 63.609 65.922 -2.313 19213 449 1 1 . 1 1 512 512 THR CB C 512 69.408 69.408 69.174 0.234 19213 450 1 1 . 1 1 512 512 THR H H 512 8.829 8.829 8.253 0.576 19213 451 1 1 . 1 1 513 513 ASP N N 513 113.706 113.706 119.506 -5.800 19213 452 1 1 . 1 1 513 513 ASP HA H 513 5.022 5.022 4.972 0.050 19213 453 1 1 . 1 1 513 513 ASP C C 513 179.097 179.097 176.799 2.298 19213 454 1 1 . 1 1 513 513 ASP CA C 513 52.164 52.164 52.043 0.121 19213 455 1 1 . 1 1 513 513 ASP CB C 513 42.331 42.331 40.713 1.618 19213 456 1 1 . 1 1 513 513 ASP H H 513 7.272 7.272 7.958 -0.686 19213 457 1 1 . 1 1 514 514 ILE N N 514 123.327 123.327 122.121 1.206 19213 458 1 1 . 1 1 514 514 ILE HA H 514 3.636 3.636 4.028 -0.392 19213 459 1 1 . 1 1 514 514 ILE C C 514 175.769 175.769 176.047 -0.278 19213 460 1 1 . 1 1 514 514 ILE CA C 514 63.545 63.545 63.758 -0.213 19213 461 1 1 . 1 1 514 514 ILE CB C 514 38.180 38.180 37.388 0.792 19213 462 1 1 . 1 1 514 514 ILE H H 514 8.916 8.916 8.498 0.418 19213 463 1 1 . 1 1 515 515 PHE N N 515 117.344 117.344 118.055 -0.711 19213 464 1 1 . 1 1 515 515 PHE HA H 515 4.517 4.517 4.422 0.095 19213 465 1 1 . 1 1 515 515 PHE C C 515 176.514 176.514 176.782 -0.268 19213 466 1 1 . 1 1 515 515 PHE CA C 515 58.401 58.401 59.903 -1.502 19213 467 1 1 . 1 1 515 515 PHE CB C 515 37.600 37.600 38.877 -1.277 19213 468 1 1 . 1 1 515 515 PHE H H 515 8.154 8.154 8.028 0.126 19213 469 1 1 . 1 1 516 516 LYS N N 516 120.351 120.351 116.959 3.392 19213 470 1 1 . 1 1 516 516 LYS HA H 516 4.715 4.715 4.392 0.323 19213 471 1 1 . 1 1 516 516 LYS C C 516 175.486 175.486 175.938 -0.452 19213 472 1 1 . 1 1 516 516 LYS CA C 516 54.831 54.831 56.385 -1.554 19213 473 1 1 . 1 1 516 516 LYS CB C 516 33.581 33.581 34.135 -0.554 19213 474 1 1 . 1 1 516 516 LYS H H 516 7.634 7.634 8.324 -0.690 19213 475 1 1 . 1 1 517 517 ALA N N 517 122.264 122.264 122.229 0.035 19213 476 1 1 . 1 1 517 517 ALA HA H 517 4.561 4.561 4.515 0.046 19213 477 1 1 . 1 1 517 517 ALA C C 517 176.799 176.799 176.468 0.331 19213 478 1 1 . 1 1 517 517 ALA CA C 517 51.980 51.980 51.842 0.138 19213 479 1 1 . 1 1 517 517 ALA CB C 517 20.779 20.779 19.867 0.912 19213 480 1 1 . 1 1 517 517 ALA H H 517 7.552 7.552 7.150 0.402 19213 481 1 1 . 1 1 518 518 GLY N N 518 110.102 110.102 111.941 -1.839 19213 482 1 1 . 1 1 518 518 GLY C C 518 175.260 175.260 174.962 0.298 19213 483 1 1 . 1 1 518 518 GLY CA C 518 46.252 46.252 44.581 1.671 19213 484 1 1 . 1 1 518 518 GLY H H 518 8.499 8.499 8.481 0.018 19213 485 1 1 . 1 1 519 519 LEU N N 519 120.980 120.980 120.900 0.080 19213 486 1 1 . 1 1 519 519 LEU HA H 519 4.285 4.285 4.197 0.088 19213 487 1 1 . 1 1 519 519 LEU C C 519 176.687 176.687 177.275 -0.588 19213 488 1 1 . 1 1 519 519 LEU CA C 519 54.291 54.291 54.737 -0.446 19213 489 1 1 . 1 1 519 519 LEU CB C 519 42.942 42.942 39.529 3.413 19213 490 1 1 . 1 1 519 519 LEU H H 519 8.418 8.418 8.311 0.107 19213 491 1 1 . 1 1 520 520 THR N N 520 107.429 107.429 113.989 -6.560 19213 492 1 1 . 1 1 520 520 THR HA H 520 4.420 4.420 4.230 0.190 19213 493 1 1 . 1 1 520 520 THR CA C 520 60.231 60.231 62.011 -1.780 19213 494 1 1 . 1 1 520 520 THR CB C 520 71.205 71.205 71.620 -0.414 19213 495 1 1 . 1 1 520 520 THR H H 520 6.149 6.149 7.969 -1.820 19213 496 1 1 . 1 1 521 521 GLU N N 521 118.700 118.700 120.436 -1.736 19213 497 1 1 . 1 1 521 521 GLU HA H 521 4.173 4.173 4.326 -0.153 19213 498 1 1 . 1 1 521 521 GLU C C 521 176.567 176.567 178.675 -2.108 19213 499 1 1 . 1 1 521 521 GLU CA C 521 57.220 57.220 57.912 -0.692 19213 500 1 1 . 1 1 521 521 GLU CB C 521 30.353 30.353 30.037 0.316 19213 501 1 1 . 1 1 521 521 GLU H H 521 7.290 7.290 8.763 -1.473 19213 502 1 1 . 1 1 522 522 CYS N N 522 121.185 121.185 118.385 2.800 19213 503 1 1 . 1 1 522 522 CYS HA H 522 4.139 4.139 4.348 -0.209 19213 504 1 1 . 1 1 522 522 CYS C C 522 177.769 177.769 177.223 0.546 19213 505 1 1 . 1 1 522 522 CYS CA C 522 61.379 61.379 61.065 0.314 19213 506 1 1 . 1 1 522 522 CYS CB C 522 32.851 32.851 25.949 6.902 19213 507 1 1 . 1 1 522 522 CYS H H 522 8.218 8.218 8.384 -0.166 19213 508 1 1 . 1 1 523 523 HIS N N 523 117.000 117.000 121.679 -4.679 19213 509 1 1 . 1 1 523 523 HIS HA H 523 3.796 3.796 4.142 -0.346 19213 510 1 1 . 1 1 523 523 HIS C C 523 177.832 177.832 177.412 0.420 19213 511 1 1 . 1 1 523 523 HIS CA C 523 59.058 59.058 60.648 -1.590 19213 512 1 1 . 1 1 523 523 HIS CB C 523 28.841 28.841 29.476 -0.635 19213 513 1 1 . 1 1 523 523 HIS H H 523 7.333 7.333 7.899 -0.566 19213 514 1 1 . 1 1 524 524 LEU N N 524 117.403 117.403 117.997 -0.594 19213 515 1 1 . 1 1 524 524 LEU HA H 524 3.792 3.792 3.680 0.112 19213 516 1 1 . 1 1 524 524 LEU C C 524 180.184 180.184 178.769 1.415 19213 517 1 1 . 1 1 524 524 LEU CA C 524 58.223 58.223 58.102 0.121 19213 518 1 1 . 1 1 524 524 LEU CB C 524 41.482 41.482 41.402 0.080 19213 519 1 1 . 1 1 524 524 LEU H H 524 8.582 8.582 7.879 0.703 19213 520 1 1 . 1 1 525 525 ASN N N 525 118.149 118.149 116.605 1.544 19213 521 1 1 . 1 1 525 525 ASN HA H 525 4.534 4.534 4.502 0.032 19213 522 1 1 . 1 1 525 525 ASN C C 525 177.023 177.023 177.063 -0.040 19213 523 1 1 . 1 1 525 525 ASN CA C 525 55.784 55.784 55.528 0.256 19213 524 1 1 . 1 1 525 525 ASN CB C 525 38.017 38.017 37.957 0.060 19213 525 1 1 . 1 1 525 525 ASN H H 525 9.226 9.226 8.045 1.181 19213 526 1 1 . 1 1 526 526 GLN N N 526 115.619 115.619 118.984 -3.365 19213 527 1 1 . 1 1 526 526 GLN HA H 526 4.358 4.358 4.173 0.185 19213 528 1 1 . 1 1 526 526 GLN C C 526 175.801 175.801 177.000 -1.199 19213 529 1 1 . 1 1 526 526 GLN CA C 526 57.008 57.008 58.265 -1.257 19213 530 1 1 . 1 1 526 526 GLN CB C 526 28.586 28.586 29.144 -0.558 19213 531 1 1 . 1 1 526 526 GLN H H 526 7.290 7.290 7.813 -0.523 19213 532 1 1 . 1 1 527 527 LEU N N 527 115.651 115.651 118.806 -3.155 19213 533 1 1 . 1 1 527 527 LEU HA H 527 4.130 4.130 4.206 -0.076 19213 534 1 1 . 1 1 527 527 LEU C C 527 178.587 178.587 178.581 0.006 19213 535 1 1 . 1 1 527 527 LEU CA C 527 55.568 55.568 56.254 -0.686 19213 536 1 1 . 1 1 527 527 LEU CB C 527 42.148 42.148 42.045 0.103 19213 537 1 1 . 1 1 527 527 LEU H H 527 6.944 6.944 7.740 -0.796 19213 538 1 1 . 1 1 528 528 ARG N N 528 121.110 121.110 120.501 0.609 19213 539 1 1 . 1 1 528 528 ARG HA H 528 4.310 4.310 3.969 0.341 19213 540 1 1 . 1 1 528 528 ARG CA C 528 61.278 61.278 61.914 -0.637 19213 541 1 1 . 1 1 528 528 ARG CB C 528 28.800 28.800 27.840 0.960 19213 542 1 1 . 1 1 528 528 ARG H H 528 8.246 8.246 8.295 -0.049 19213 543 1 1 . 1 1 529 529 PRO HA H 529 4.432 4.432 4.267 0.165 19213 544 1 1 . 1 1 529 529 PRO C C 529 177.119 177.119 177.369 -0.250 19213 545 1 1 . 1 1 529 529 PRO CA C 529 65.500 65.500 65.171 0.329 19213 546 1 1 . 1 1 529 529 PRO CB C 529 31.079 31.079 31.250 -0.171 19213 547 1 1 . 1 1 530 530 LEU N N 530 113.140 113.140 116.566 -3.426 19213 548 1 1 . 1 1 530 530 LEU HA H 530 4.186 4.186 4.468 -0.282 19213 549 1 1 . 1 1 530 530 LEU C C 530 176.839 176.839 176.779 0.060 19213 550 1 1 . 1 1 530 530 LEU CA C 530 54.360 54.360 54.403 -0.042 19213 551 1 1 . 1 1 530 530 LEU CB C 530 42.962 42.962 42.198 0.764 19213 552 1 1 . 1 1 530 530 LEU H H 530 6.908 6.908 7.672 -0.764 19213 553 1 1 . 1 1 531 531 LYS N N 531 114.250 114.250 117.503 -3.253 19213 554 1 1 . 1 1 531 531 LYS HA H 531 3.881 3.881 3.946 -0.065 19213 555 1 1 . 1 1 531 531 LYS C C 531 173.063 173.063 175.447 -2.384 19213 556 1 1 . 1 1 531 531 LYS CA C 531 57.573 57.573 56.955 0.618 19213 557 1 1 . 1 1 531 531 LYS CB C 531 28.802 28.802 30.713 -1.911 19213 558 1 1 . 1 1 531 531 LYS H H 531 8.120 8.120 7.899 0.221 19213 559 1 1 . 1 1 532 532 VAL N N 532 115.759 115.759 118.313 -2.554 19213 560 1 1 . 1 1 532 532 VAL HA H 532 3.000 3.000 3.804 -0.804 19213 561 1 1 . 1 1 532 532 VAL C C 532 174.337 174.337 175.984 -1.647 19213 562 1 1 . 1 1 532 532 VAL CA C 532 64.525 64.525 63.864 0.661 19213 563 1 1 . 1 1 532 532 VAL CB C 532 32.785 32.785 31.046 1.739 19213 564 1 1 . 1 1 532 532 VAL H H 532 6.477 6.477 7.338 -0.861 19213 565 1 1 . 1 1 533 533 ARG N N 533 123.594 123.594 128.385 -4.791 19213 566 1 1 . 1 1 533 533 ARG HA H 533 4.457 4.457 4.672 -0.215 19213 567 1 1 . 1 1 533 533 ARG C C 533 173.662 173.662 174.549 -0.887 19213 568 1 1 . 1 1 533 533 ARG CA C 533 53.844 53.844 55.203 -1.359 19213 569 1 1 . 1 1 533 533 ARG CB C 533 31.242 31.242 30.437 0.805 19213 570 1 1 . 1 1 533 533 ARG H H 533 8.917 8.917 7.998 0.919 19213 571 1 1 . 1 1 534 534 ALA N N 534 123.107 123.107 122.694 0.413 19213 572 1 1 . 1 1 534 534 ALA HA H 534 4.663 4.663 5.090 -0.427 19213 573 1 1 . 1 1 534 534 ALA C C 534 176.608 176.608 175.003 1.605 19213 574 1 1 . 1 1 534 534 ALA CA C 534 51.456 51.456 51.969 -0.513 19213 575 1 1 . 1 1 534 534 ALA CB C 534 25.134 25.134 20.964 4.170 19213 576 1 1 . 1 1 534 534 ALA H H 534 8.338 8.338 7.891 0.447 19213 577 1 1 . 1 1 535 535 ASN N N 535 117.841 117.841 117.076 0.765 19213 578 1 1 . 1 1 535 535 ASN HA H 535 6.000 6.000 4.941 1.059 19213 579 1 1 . 1 1 535 535 ASN C C 535 170.841 170.841 173.172 -2.331 19213 580 1 1 . 1 1 535 535 ASN CA C 535 52.258 52.258 53.759 -1.501 19213 581 1 1 . 1 1 535 535 ASN CB C 535 42.060 42.060 40.711 1.349 19213 582 1 1 . 1 1 535 535 ASN H H 535 9.052 9.052 8.677 0.375 19213 583 1 1 . 1 1 536 536 LEU N N 536 123.199 123.199 127.832 -4.633 19213 584 1 1 . 1 1 536 536 LEU HA H 536 4.667 4.667 4.768 -0.101 19213 585 1 1 . 1 1 536 536 LEU C C 536 173.345 173.345 173.585 -0.240 19213 586 1 1 . 1 1 536 536 LEU CA C 536 54.258 54.258 53.246 1.012 19213 587 1 1 . 1 1 536 536 LEU CB C 536 43.282 43.282 45.007 -1.725 19213 588 1 1 . 1 1 536 536 LEU H H 536 8.163 8.163 7.545 0.618 19213 589 1 1 . 1 1 537 537 VAL N N 537 128.390 128.390 124.247 4.143 19213 590 1 1 . 1 1 537 537 VAL HA H 537 4.428 4.428 4.624 -0.196 19213 591 1 1 . 1 1 537 537 VAL C C 537 174.411 174.411 173.963 0.448 19213 592 1 1 . 1 1 537 537 VAL CA C 537 62.112 62.112 59.687 2.425 19213 593 1 1 . 1 1 537 537 VAL CB C 537 34.747 34.747 32.971 1.776 19213 594 1 1 . 1 1 537 537 VAL H H 537 8.881 8.881 7.813 1.068 19213 595 1 1 . 1 1 538 538 VAL N N 538 118.758 118.758 125.250 -6.492 19213 596 1 1 . 1 1 538 538 VAL HA H 538 5.360 5.360 4.450 0.910 19213 597 1 1 . 1 1 538 538 VAL CA C 538 56.783 56.783 58.577 -1.794 19213 598 1 1 . 1 1 538 538 VAL CB C 538 33.069 33.069 33.661 -0.592 19213 599 1 1 . 1 1 538 538 VAL H H 538 8.456 8.456 8.457 -0.001 19213 600 1 1 . 1 1 539 539 PRO HA H 539 4.832 4.832 4.668 0.164 19213 601 1 1 . 1 1 539 539 PRO C C 539 175.835 175.835 175.909 -0.074 19213 602 1 1 . 1 1 539 539 PRO CA C 539 62.909 62.909 62.959 -0.050 19213 603 1 1 . 1 1 539 539 PRO CB C 539 34.483 34.483 32.169 2.314 19213 604 1 1 . 1 1 540 540 MET N N 540 116.774 116.774 123.973 -7.199 19213 605 1 1 . 1 1 540 540 MET HA H 540 4.372 4.372 4.902 -0.530 19213 606 1 1 . 1 1 540 540 MET C C 540 173.982 173.982 174.854 -0.872 19213 607 1 1 . 1 1 540 540 MET CA C 540 55.763 55.763 53.394 2.369 19213 608 1 1 . 1 1 540 540 MET CB C 540 35.394 35.394 33.874 1.520 19213 609 1 1 . 1 1 540 540 MET H H 540 8.212 8.212 8.208 0.004 19213 610 1 1 . 1 1 541 541 VAL N N 541 127.382 127.382 124.689 2.693 19213 611 1 1 . 1 1 541 541 VAL HA H 541 4.851 4.851 4.964 -0.113 19213 612 1 1 . 1 1 541 541 VAL C C 541 174.789 174.789 175.507 -0.718 19213 613 1 1 . 1 1 541 541 VAL CA C 541 61.847 61.847 61.544 0.303 19213 614 1 1 . 1 1 541 541 VAL CB C 541 33.092 33.092 32.965 0.127 19213 615 1 1 . 1 1 541 541 VAL H H 541 8.342 8.342 8.800 -0.458 19213 616 1 1 . 1 1 542 542 ILE N N 542 126.100 126.100 129.407 -3.307 19213 617 1 1 . 1 1 542 542 ILE HA H 542 4.225 4.225 4.346 -0.121 19213 618 1 1 . 1 1 542 542 ILE C C 542 176.127 176.127 175.534 0.593 19213 619 1 1 . 1 1 542 542 ILE CA C 542 60.535 60.535 60.211 0.324 19213 620 1 1 . 1 1 542 542 ILE CB C 542 41.569 41.569 41.158 0.411 19213 621 1 1 . 1 1 542 542 ILE H H 542 8.687 8.687 9.287 -0.600 19213 622 1 1 . 1 1 543 543 ASP N N 543 132.060 132.060 127.785 4.275 19213 623 1 1 . 1 1 543 543 ASP HA H 543 4.203 4.203 4.296 -0.093 19213 624 1 1 . 1 1 543 543 ASP C C 543 175.231 175.231 175.467 -0.236 19213 625 1 1 . 1 1 543 543 ASP CA C 543 55.725 55.725 55.683 0.042 19213 626 1 1 . 1 1 543 543 ASP CB C 543 39.705 39.705 39.921 -0.216 19213 627 1 1 . 1 1 543 543 ASP H H 543 10.386 10.386 8.966 1.420 19213 628 1 1 . 1 1 544 544 ASP N N 544 111.355 111.355 113.800 -2.445 19213 629 1 1 . 1 1 544 544 ASP HA H 544 4.109 4.109 4.245 -0.136 19213 630 1 1 . 1 1 544 544 ASP C C 544 174.479 174.479 174.334 0.145 19213 631 1 1 . 1 1 544 544 ASP CA C 544 55.744 55.744 55.741 0.003 19213 632 1 1 . 1 1 544 544 ASP CB C 544 41.048 41.048 40.538 0.510 19213 633 1 1 . 1 1 544 544 ASP H H 544 8.812 8.812 8.750 0.062 19213 634 1 1 . 1 1 545 545 GLN N N 545 117.226 117.226 116.367 0.859 19213 635 1 1 . 1 1 545 545 GLN HA H 545 4.582 4.582 4.603 -0.021 19213 636 1 1 . 1 1 545 545 GLN C C 545 174.762 174.762 174.562 0.200 19213 637 1 1 . 1 1 545 545 GLN CA C 545 53.703 53.703 54.083 -0.380 19213 638 1 1 . 1 1 545 545 GLN CB C 545 31.687 31.687 32.432 -0.745 19213 639 1 1 . 1 1 545 545 GLN H H 545 7.884 7.884 8.369 -0.485 19213 640 1 1 . 1 1 546 546 LEU N N 546 123.783 123.783 127.219 -3.436 19213 641 1 1 . 1 1 546 546 LEU HA H 546 4.590 4.590 4.470 0.120 19213 642 1 1 . 1 1 546 546 LEU C C 546 174.041 174.041 176.343 -2.302 19213 643 1 1 . 1 1 546 546 LEU CA C 546 55.029 55.029 55.267 -0.238 19213 644 1 1 . 1 1 546 546 LEU CB C 546 42.361 42.361 41.343 1.018 19213 645 1 1 . 1 1 546 546 LEU H H 546 9.175 9.175 8.827 0.348 19213 646 1 1 . 1 1 547 547 PHE N N 547 132.161 132.161 125.487 6.674 19213 647 1 1 . 1 1 547 547 PHE HA H 547 4.564 4.564 4.718 -0.154 19213 648 1 1 . 1 1 547 547 PHE C C 547 176.063 176.063 174.548 1.515 19213 649 1 1 . 1 1 547 547 PHE CA C 547 59.445 59.445 58.550 0.895 19213 650 1 1 . 1 1 547 547 PHE CB C 547 41.069 41.069 40.932 0.137 19213 651 1 1 . 1 1 547 547 PHE H H 547 8.925 8.925 7.961 0.964 19213 652 1 1 . 1 1 548 548 GLY N N 548 103.713 103.713 104.148 -0.435 19213 653 1 1 . 1 1 548 548 GLY C C 548 169.176 169.176 171.052 -1.876 19213 654 1 1 . 1 1 548 548 GLY CA C 548 45.906 45.906 44.520 1.386 19213 655 1 1 . 1 1 548 548 GLY H H 548 8.025 8.025 7.292 0.733 19213 656 1 1 . 1 1 549 549 LEU N N 549 117.457 117.457 119.162 -1.705 19213 657 1 1 . 1 1 549 549 LEU HA H 549 4.872 4.872 4.887 -0.015 19213 658 1 1 . 1 1 549 549 LEU C C 549 174.008 174.008 173.607 0.401 19213 659 1 1 . 1 1 549 549 LEU CA C 549 52.697 52.697 54.697 -2.000 19213 660 1 1 . 1 1 549 549 LEU CB C 549 44.641 44.641 46.614 -1.973 19213 661 1 1 . 1 1 549 549 LEU H H 549 8.738 8.738 7.450 1.288 19213 662 1 1 . 1 1 550 550 LEU N N 550 127.533 127.533 127.155 0.378 19213 663 1 1 . 1 1 550 550 LEU HA H 550 4.920 4.920 4.577 0.343 19213 664 1 1 . 1 1 550 550 LEU C C 550 175.162 175.162 174.483 0.679 19213 665 1 1 . 1 1 550 550 LEU CA C 550 53.922 53.922 53.699 0.223 19213 666 1 1 . 1 1 550 550 LEU CB C 550 42.857 42.857 43.690 -0.833 19213 667 1 1 . 1 1 550 550 LEU H H 550 9.078 9.078 7.975 1.103 19213 668 1 1 . 1 1 551 551 ILE N N 551 123.427 123.427 126.988 -3.561 19213 669 1 1 . 1 1 551 551 ILE HA H 551 5.332 5.332 5.035 0.297 19213 670 1 1 . 1 1 551 551 ILE C C 551 174.056 174.056 173.910 0.146 19213 671 1 1 . 1 1 551 551 ILE CA C 551 59.702 59.702 59.011 0.691 19213 672 1 1 . 1 1 551 551 ILE CB C 551 41.568 41.568 40.747 0.821 19213 673 1 1 . 1 1 551 551 ILE H H 551 8.382 8.382 7.820 0.562 19213 674 1 1 . 1 1 552 552 ALA N N 552 129.153 129.153 128.646 0.507 19213 675 1 1 . 1 1 552 552 ALA HA H 552 5.130 5.130 4.379 0.751 19213 676 1 1 . 1 1 552 552 ALA C C 552 176.892 176.892 174.696 2.196 19213 677 1 1 . 1 1 552 552 ALA CA C 552 49.481 49.481 50.021 -0.540 19213 678 1 1 . 1 1 552 552 ALA CB C 552 22.936 22.936 21.358 1.578 19213 679 1 1 . 1 1 552 552 ALA H H 552 9.245 9.245 7.645 1.600 19213 680 1 1 . 1 1 553 553 HIS N N 553 117.481 117.481 119.933 -2.452 19213 681 1 1 . 1 1 553 553 HIS HA H 553 5.879 5.879 4.716 1.163 19213 682 1 1 . 1 1 553 553 HIS C C 553 175.709 175.709 173.921 1.788 19213 683 1 1 . 1 1 553 553 HIS CA C 553 52.575 52.575 55.180 -2.605 19213 684 1 1 . 1 1 553 553 HIS CB C 553 36.391 36.391 33.985 2.406 19213 685 1 1 . 1 1 553 553 HIS H H 553 9.584 9.584 8.492 1.093 19213 686 1 1 . 1 1 554 554 GLN N N 554 125.534 125.534 123.687 1.847 19213 687 1 1 . 1 1 554 554 GLN HA H 554 4.604 4.604 4.429 0.175 19213 688 1 1 . 1 1 554 554 GLN C C 554 174.647 174.647 175.776 -1.129 19213 689 1 1 . 1 1 554 554 GLN CA C 554 55.753 55.753 55.430 0.323 19213 690 1 1 . 1 1 554 554 GLN CB C 554 30.350 30.350 28.310 2.040 19213 691 1 1 . 1 1 554 554 GLN H H 554 9.240 9.240 8.848 0.392 19213 692 1 1 . 1 1 555 555 ALA N N 555 135.281 135.281 130.040 5.241 19213 693 1 1 . 1 1 555 555 ALA HA H 555 4.543 4.543 4.048 0.495 19213 694 1 1 . 1 1 555 555 ALA C C 555 177.707 177.707 177.640 0.067 19213 695 1 1 . 1 1 555 555 ALA CA C 555 53.062 53.062 53.869 -0.807 19213 696 1 1 . 1 1 555 555 ALA CB C 555 19.238 19.238 17.606 1.632 19213 697 1 1 . 1 1 555 555 ALA H H 555 11.446 11.446 8.276 3.170 19213 698 1 1 . 1 1 556 556 SER N N 556 110.784 110.784 114.820 -4.036 19213 699 1 1 . 1 1 556 556 SER HA H 556 4.190 4.190 4.365 -0.175 19213 700 1 1 . 1 1 556 556 SER C C 556 174.538 174.538 174.907 -0.369 19213 701 1 1 . 1 1 556 556 SER CA C 556 60.691 60.691 60.663 0.028 19213 702 1 1 . 1 1 556 556 SER CB C 556 63.729 63.729 63.922 -0.193 19213 703 1 1 . 1 1 556 556 SER H H 556 8.106 8.106 7.876 0.230 19213 704 1 1 . 1 1 557 557 GLU N N 557 118.812 118.812 119.037 -0.225 19213 705 1 1 . 1 1 557 557 GLU CA C 557 53.779 53.779 53.461 0.318 19213 706 1 1 . 1 1 557 557 GLU CB C 557 30.585 30.585 31.074 -0.489 19213 707 1 1 . 1 1 557 557 GLU H H 557 7.380 7.380 8.096 -0.716 19213 708 1 1 . 1 1 558 558 PRO HA H 558 4.290 4.290 4.572 -0.282 19213 709 1 1 . 1 1 558 558 PRO C C 558 175.238 175.238 176.378 -1.140 19213 710 1 1 . 1 1 558 558 PRO CA C 558 62.733 62.733 63.250 -0.517 19213 711 1 1 . 1 1 558 558 PRO CB C 558 32.892 32.892 32.196 0.696 19213 712 1 1 . 1 1 559 559 ARG N N 559 121.705 121.705 119.886 1.819 19213 713 1 1 . 1 1 559 559 ARG HA H 559 3.949 3.949 4.584 -0.635 19213 714 1 1 . 1 1 559 559 ARG C C 559 171.339 171.339 173.544 -2.205 19213 715 1 1 . 1 1 559 559 ARG CA C 559 55.522 55.522 55.183 0.339 19213 716 1 1 . 1 1 559 559 ARG CB C 559 33.266 33.266 33.383 -0.117 19213 717 1 1 . 1 1 559 559 ARG H H 559 8.106 8.106 8.484 -0.378 19213 718 1 1 . 1 1 560 560 GLN N N 560 125.611 125.611 124.102 1.509 19213 719 1 1 . 1 1 560 560 GLN HA H 560 4.386 4.386 3.795 0.591 19213 720 1 1 . 1 1 560 560 GLN C C 560 175.691 175.691 174.612 1.079 19213 721 1 1 . 1 1 560 560 GLN CA C 560 53.655 53.655 54.202 -0.547 19213 722 1 1 . 1 1 560 560 GLN CB C 560 27.650 27.650 30.090 -2.440 19213 723 1 1 . 1 1 560 560 GLN H H 560 8.295 8.295 8.477 -0.182 19213 724 1 1 . 1 1 561 561 TRP N N 561 132.619 132.619 126.017 6.602 19213 725 1 1 . 1 1 561 561 TRP HA H 561 4.449 4.449 4.771 -0.322 19213 726 1 1 . 1 1 561 561 TRP C C 561 176.089 176.089 176.101 -0.012 19213 727 1 1 . 1 1 561 561 TRP CA C 561 56.370 56.370 55.796 0.574 19213 728 1 1 . 1 1 561 561 TRP CB C 561 28.641 28.641 29.362 -0.721 19213 729 1 1 . 1 1 561 561 TRP H H 561 7.899 7.899 7.126 0.773 19213 730 1 1 . 1 1 562 562 GLN N N 562 124.398 124.398 124.438 -0.040 19213 731 1 1 . 1 1 562 562 GLN HA H 562 4.465 4.465 4.172 0.293 19213 732 1 1 . 1 1 562 562 GLN C C 562 177.060 177.060 177.127 -0.067 19213 733 1 1 . 1 1 562 562 GLN CA C 562 54.712 54.712 55.745 -1.033 19213 734 1 1 . 1 1 562 562 GLN CB C 562 30.536 30.536 29.424 1.112 19213 735 1 1 . 1 1 562 562 GLN H H 562 9.714 9.714 8.593 1.121 19213 736 1 1 . 1 1 563 563 GLU N N 563 124.299 124.299 121.689 2.610 19213 737 1 1 . 1 1 563 563 GLU HA H 563 3.913 3.913 4.073 -0.160 19213 738 1 1 . 1 1 563 563 GLU C C 563 178.669 178.669 178.896 -0.227 19213 739 1 1 . 1 1 563 563 GLU CA C 563 61.261 61.261 59.758 1.503 19213 740 1 1 . 1 1 563 563 GLU CB C 563 29.246 29.246 29.554 -0.308 19213 741 1 1 . 1 1 563 563 GLU H H 563 9.197 9.197 8.932 0.265 19213 742 1 1 . 1 1 564 564 ILE N N 564 115.325 115.325 118.731 -3.406 19213 743 1 1 . 1 1 564 564 ILE HA H 564 4.217 4.217 3.793 0.424 19213 744 1 1 . 1 1 564 564 ILE C C 564 177.495 177.495 177.967 -0.472 19213 745 1 1 . 1 1 564 564 ILE CA C 564 63.396 63.396 64.520 -1.124 19213 746 1 1 . 1 1 564 564 ILE CB C 564 37.815 37.815 37.388 0.427 19213 747 1 1 . 1 1 564 564 ILE H H 564 8.482 8.482 8.156 0.326 19213 748 1 1 . 1 1 565 565 GLU N N 565 121.151 121.151 119.599 1.552 19213 749 1 1 . 1 1 565 565 GLU HA H 565 4.014 4.014 4.039 -0.025 19213 750 1 1 . 1 1 565 565 GLU C C 565 178.136 178.136 179.407 -1.271 19213 751 1 1 . 1 1 565 565 GLU CA C 565 58.734 58.734 59.505 -0.771 19213 752 1 1 . 1 1 565 565 GLU CB C 565 29.617 29.617 29.064 0.553 19213 753 1 1 . 1 1 565 565 GLU H H 565 6.700 6.700 7.607 -0.907 19213 754 1 1 . 1 1 566 566 ILE N N 566 119.835 119.835 120.941 -1.106 19213 755 1 1 . 1 1 566 566 ILE HA H 566 3.450 3.450 3.958 -0.508 19213 756 1 1 . 1 1 566 566 ILE C C 566 178.664 178.664 177.840 0.824 19213 757 1 1 . 1 1 566 566 ILE CA C 566 66.463 66.463 65.656 0.807 19213 758 1 1 . 1 1 566 566 ILE CB C 566 38.360 38.360 37.885 0.475 19213 759 1 1 . 1 1 566 566 ILE H H 566 8.122 8.122 7.770 0.352 19213 760 1 1 . 1 1 567 567 ASP N N 567 120.402 120.402 120.277 0.125 19213 761 1 1 . 1 1 567 567 ASP HA H 567 4.372 4.372 4.275 0.097 19213 762 1 1 . 1 1 567 567 ASP C C 567 179.395 179.395 178.674 0.721 19213 763 1 1 . 1 1 567 567 ASP CA C 567 57.846 57.846 57.721 0.124 19213 764 1 1 . 1 1 567 567 ASP CB C 567 40.610 40.610 40.541 0.069 19213 765 1 1 . 1 1 567 567 ASP H H 567 8.503 8.503 7.991 0.512 19213 766 1 1 . 1 1 568 568 GLN N N 568 118.044 118.044 118.592 -0.548 19213 767 1 1 . 1 1 568 568 GLN HA H 568 4.147 4.147 3.964 0.183 19213 768 1 1 . 1 1 568 568 GLN C C 568 179.163 179.163 178.635 0.528 19213 769 1 1 . 1 1 568 568 GLN CA C 568 59.243 59.243 58.760 0.483 19213 770 1 1 . 1 1 568 568 GLN CB C 568 29.668 29.668 28.601 1.067 19213 771 1 1 . 1 1 568 568 GLN H H 568 8.273 8.273 7.777 0.496 19213 772 1 1 . 1 1 569 569 PHE N N 569 124.363 124.363 119.707 4.656 19213 773 1 1 . 1 1 569 569 PHE HA H 569 4.303 4.303 4.134 0.169 19213 774 1 1 . 1 1 569 569 PHE C C 569 177.052 177.052 178.046 -0.994 19213 775 1 1 . 1 1 569 569 PHE CA C 569 61.230 61.230 61.556 -0.327 19213 776 1 1 . 1 1 569 569 PHE CB C 569 40.614 40.614 38.547 2.067 19213 777 1 1 . 1 1 569 569 PHE H H 569 8.962 8.962 7.973 0.989 19213 778 1 1 . 1 1 570 570 SER N N 570 113.474 113.474 115.359 -1.885 19213 779 1 1 . 1 1 570 570 SER HA H 570 4.353 4.353 4.155 0.198 19213 780 1 1 . 1 1 570 570 SER C C 570 177.332 177.332 176.943 0.389 19213 781 1 1 . 1 1 570 570 SER CA C 570 61.727 61.727 61.962 -0.235 19213 782 1 1 . 1 1 570 570 SER CB C 570 62.752 62.752 62.794 -0.042 19213 783 1 1 . 1 1 570 570 SER H H 570 8.880 8.880 8.424 0.456 19213 784 1 1 . 1 1 571 571 GLU N N 571 122.935 122.935 121.968 0.967 19213 785 1 1 . 1 1 571 571 GLU HA H 571 4.151 4.151 4.015 0.136 19213 786 1 1 . 1 1 571 571 GLU C C 571 178.900 178.900 179.236 -0.336 19213 787 1 1 . 1 1 571 571 GLU CA C 571 59.404 59.404 59.323 0.081 19213 788 1 1 . 1 1 571 571 GLU CB C 571 29.340 29.340 29.720 -0.380 19213 789 1 1 . 1 1 571 571 GLU H H 571 8.251 8.251 7.749 0.502 19213 790 1 1 . 1 1 572 572 LEU N N 572 123.239 123.239 121.424 1.815 19213 791 1 1 . 1 1 572 572 LEU HA H 572 4.040 4.040 4.040 -0.000 19213 792 1 1 . 1 1 572 572 LEU C C 572 178.222 178.222 178.717 -0.495 19213 793 1 1 . 1 1 572 572 LEU CA C 572 58.316 58.316 58.217 0.099 19213 794 1 1 . 1 1 572 572 LEU CB C 572 41.446 41.446 41.968 -0.522 19213 795 1 1 . 1 1 572 572 LEU H H 572 7.811 7.811 8.507 -0.696 19213 796 1 1 . 1 1 573 573 ALA N N 573 120.107 120.107 119.930 0.177 19213 797 1 1 . 1 1 573 573 ALA HA H 573 3.704 3.704 4.085 -0.381 19213 798 1 1 . 1 1 573 573 ALA C C 573 180.552 180.552 179.629 0.923 19213 799 1 1 . 1 1 573 573 ALA CA C 573 55.596 55.596 55.067 0.529 19213 800 1 1 . 1 1 573 573 ALA CB C 573 19.404 19.404 18.201 1.203 19213 801 1 1 . 1 1 573 573 ALA H H 573 7.636 7.636 8.679 -1.043 19213 802 1 1 . 1 1 574 574 SER N N 574 116.333 116.333 113.879 2.454 19213 803 1 1 . 1 1 574 574 SER HA H 574 4.415 4.415 4.152 0.263 19213 804 1 1 . 1 1 574 574 SER C C 574 177.418 177.418 176.744 0.674 19213 805 1 1 . 1 1 574 574 SER CA C 574 61.750 61.750 61.344 0.406 19213 806 1 1 . 1 1 574 574 SER CB C 574 62.688 62.688 63.158 -0.470 19213 807 1 1 . 1 1 574 574 SER H H 574 8.675 8.675 8.668 0.007 19213 808 1 1 . 1 1 575 575 THR N N 575 120.659 120.659 114.374 6.285 19213 809 1 1 . 1 1 575 575 THR HA H 575 4.001 4.001 4.026 -0.025 19213 810 1 1 . 1 1 575 575 THR C C 575 177.033 177.033 176.731 0.302 19213 811 1 1 . 1 1 575 575 THR CA C 575 66.835 66.835 65.869 0.966 19213 812 1 1 . 1 1 575 575 THR CB C 575 68.384 68.384 68.270 0.114 19213 813 1 1 . 1 1 575 575 THR H H 575 8.870 8.870 8.267 0.603 19213 814 1 1 . 1 1 576 576 GLY N N 576 108.168 108.168 109.760 -1.592 19213 815 1 1 . 1 1 576 576 GLY C C 576 174.221 174.221 175.931 -1.710 19213 816 1 1 . 1 1 576 576 GLY CA C 576 47.808 47.808 46.818 0.990 19213 817 1 1 . 1 1 576 576 GLY H H 576 8.687 8.687 7.546 1.141 19213 818 1 1 . 1 1 577 577 SER N N 577 118.111 118.111 118.536 -0.425 19213 819 1 1 . 1 1 577 577 SER HA H 577 3.889 3.889 3.763 0.126 19213 820 1 1 . 1 1 577 577 SER C C 577 174.830 174.830 176.481 -1.651 19213 821 1 1 . 1 1 577 577 SER CA C 577 63.606 63.606 61.774 1.832 19213 822 1 1 . 1 1 577 577 SER CB C 577 62.564 62.564 63.104 -0.540 19213 823 1 1 . 1 1 577 577 SER H H 577 8.314 8.314 7.458 0.856 19213 824 1 1 . 1 1 578 578 LEU N N 578 122.532 122.532 120.743 1.789 19213 825 1 1 . 1 1 578 578 LEU HA H 578 3.785 3.785 4.049 -0.264 19213 826 1 1 . 1 1 578 578 LEU C C 578 179.351 179.351 179.141 0.210 19213 827 1 1 . 1 1 578 578 LEU CA C 578 58.109 58.109 57.600 0.509 19213 828 1 1 . 1 1 578 578 LEU CB C 578 41.837 41.837 41.422 0.415 19213 829 1 1 . 1 1 578 578 LEU H H 578 7.841 7.841 7.460 0.381 19213 830 1 1 . 1 1 579 579 VAL N N 579 122.455 122.455 119.053 3.402 19213 831 1 1 . 1 1 579 579 VAL CA C 579 59.949 59.949 66.034 -6.085 19213 832 1 1 . 1 1 579 579 VAL CB C 579 31.167 31.167 31.421 -0.254 19213 833 1 1 . 1 1 579 579 VAL H H 579 8.789 8.789 7.379 1.410 19213 834 1 1 . 1 1 582 582 ARG HA H 582 3.694 3.694 4.078 -0.384 19213 835 1 1 . 1 1 582 582 ARG C C 582 170.822 170.822 177.834 -7.012 19213 836 1 1 . 1 1 582 582 ARG CA C 582 58.211 58.211 58.914 -0.703 19213 837 1 1 . 1 1 582 582 ARG CB C 582 30.031 30.031 30.161 -0.130 19213 838 1 1 . 1 1 583 583 LEU N N 583 118.579 118.579 116.972 1.607 19213 839 1 1 . 1 1 583 583 LEU CA C 583 58.995 58.995 56.950 2.045 19213 840 1 1 . 1 1 583 583 LEU CB C 583 42.668 42.668 41.846 0.822 19213 841 1 1 . 1 1 583 583 LEU H H 583 7.100 7.100 7.463 -0.363 19213 842 1 1 . 1 1 585 585 PHE C C 585 176.850 176.850 174.190 2.660 19213 843 1 1 . 1 1 585 585 PHE CA C 585 54.882 54.882 57.943 -3.061 19213 844 1 1 . 1 1 585 585 PHE CB C 585 41.019 41.019 41.177 -0.158 19213 845 1 1 . 1 1 586 586 LEU N N 586 122.944 122.944 121.516 1.428 19213 846 1 1 . 1 1 586 586 LEU CA C 586 55.891 55.891 56.805 -0.914 19213 847 1 1 . 1 1 586 586 LEU CB C 586 42.021 42.021 43.192 -1.171 19213 848 1 1 . 1 1 586 586 LEU H H 586 8.147 8.147 8.711 -0.564 19213 849 1 1 . 1 1 587 587 GLU HA H 587 4.213 4.213 4.174 0.039 19213 850 1 1 . 1 1 587 587 GLU C C 587 176.917 176.917 176.749 0.168 19213 851 1 1 . 1 1 587 587 GLU CA C 587 57.437 57.437 58.246 -0.809 19213 852 1 1 . 1 1 587 587 GLU CB C 587 30.047 30.047 29.772 0.275 19213 853 1 1 . 1 1 588 588 GLN N N 588 120.604 120.604 117.932 2.672 19213 854 1 1 . 1 1 588 588 GLN CA C 588 57.300 57.300 56.201 1.099 19213 855 1 1 . 1 1 588 588 GLN CB C 588 30.196 30.196 29.062 1.134 19213 856 1 1 . 1 1 588 588 GLN H H 588 8.402 8.402 7.934 0.468 19213 857 1 1 . 1 1 589 589 THR HA H 589 4.167 4.167 4.507 -0.340 19213 858 1 1 . 1 1 589 589 THR C C 589 174.851 174.851 174.416 0.435 19213 859 1 1 . 1 1 589 589 THR CA C 589 62.959 62.959 62.250 0.709 19213 860 1 1 . 1 1 589 589 THR CB C 589 69.693 69.693 69.555 0.138 19213 861 1 1 . 1 1 590 590 ILE N N 590 123.158 123.158 119.744 3.414 19213 862 1 1 . 1 1 590 590 ILE CA C 590 61.524 61.524 60.086 1.438 19213 863 1 1 . 1 1 590 590 ILE CB C 590 38.402 38.402 38.543 -0.141 19213 864 1 1 . 1 1 590 590 ILE H H 590 8.028 8.028 7.750 0.278 19213 865 1 1 . 1 1 591 591 ALA HA H 591 4.180 4.180 4.128 0.052 19213 866 1 1 . 1 1 591 591 ALA C C 591 178.457 178.457 178.937 -0.480 19213 867 1 1 . 1 1 591 591 ALA CA C 591 53.569 53.569 53.791 -0.222 19213 868 1 1 . 1 1 591 591 ALA CB C 591 18.733 18.733 18.658 0.075 19213 869 1 1 . 1 1 592 592 SER N N 592 113.507 113.507 113.618 -0.111 19213 870 1 1 . 1 1 592 592 SER HA H 592 4.290 4.290 4.281 0.009 19213 871 1 1 . 1 1 592 592 SER C C 592 174.913 174.913 174.777 0.136 19213 872 1 1 . 1 1 592 592 SER CA C 592 58.992 58.992 59.113 -0.121 19213 873 1 1 . 1 1 592 592 SER CB C 592 63.550 63.550 63.191 0.359 19213 874 1 1 . 1 1 592 592 SER H H 592 7.946 7.946 8.340 -0.394 19213 875 1 2 . 1 1 430 430 ALA N N 430 132.375 132.375 122.792 9.583 19213 876 1 2 . 1 1 430 430 ALA CA C 430 51.092 51.092 52.027 -0.935 19213 877 1 2 . 1 1 430 430 ALA CB C 430 21.474 21.474 17.442 4.032 19213 878 1 2 . 1 1 430 430 ALA H H 430 8.772 8.772 8.222 0.550 19213 879 1 2 . 1 1 431 431 ALA N N 431 117.710 117.710 122.454 -4.744 19213 880 1 2 . 1 1 431 431 ALA HA H 431 4.346 4.346 4.445 -0.099 19213 881 1 2 . 1 1 431 431 ALA C C 431 177.537 177.537 177.133 0.404 19213 882 1 2 . 1 1 431 431 ALA CA C 431 52.341 52.341 51.692 0.649 19213 883 1 2 . 1 1 431 431 ALA CB C 431 19.209 19.209 19.307 -0.098 19213 884 1 2 . 1 1 431 431 ALA H H 431 8.180 8.180 7.963 0.217 19213 885 1 2 . 1 1 432 432 VAL N N 432 120.378 120.378 121.092 -0.714 19213 886 1 2 . 1 1 432 432 VAL HA H 432 4.045 4.045 4.153 -0.108 19213 887 1 2 . 1 1 432 432 VAL C C 432 175.692 175.692 175.895 -0.203 19213 888 1 2 . 1 1 432 432 VAL CA C 432 62.172 62.172 61.962 0.210 19213 889 1 2 . 1 1 432 432 VAL CB C 432 33.029 33.029 31.988 1.041 19213 890 1 2 . 1 1 432 432 VAL H H 432 8.191 8.191 8.346 -0.155 19213 891 1 2 . 1 1 433 433 GLN N N 433 124.398 124.398 125.425 -1.027 19213 892 1 2 . 1 1 433 433 GLN CA C 433 54.855 54.855 55.172 -0.317 19213 893 1 2 . 1 1 433 433 GLN CB C 433 29.530 29.530 29.635 -0.105 19213 894 1 2 . 1 1 433 433 GLN H H 433 8.525 8.525 8.456 0.069 19213 895 1 2 . 1 1 435 435 SER HA H 435 4.074 4.074 4.296 -0.222 19213 896 1 2 . 1 1 435 435 SER C C 435 178.865 178.865 175.356 3.509 19213 897 1 2 . 1 1 435 435 SER CA C 435 60.402 60.402 60.629 -0.227 19213 898 1 2 . 1 1 435 435 SER CB C 435 62.858 62.858 62.722 0.136 19213 899 1 2 . 1 1 436 436 GLU N N 436 119.935 119.935 120.807 -0.872 19213 900 1 2 . 1 1 436 436 GLU HA H 436 4.309 4.309 4.174 0.135 19213 901 1 2 . 1 1 436 436 GLU C C 436 176.654 176.654 177.443 -0.789 19213 902 1 2 . 1 1 436 436 GLU CA C 436 56.095 56.095 57.738 -1.643 19213 903 1 2 . 1 1 436 436 GLU CB C 436 30.278 30.278 29.955 0.323 19213 904 1 2 . 1 1 436 436 GLU H H 436 7.847 7.847 7.707 0.140 19213 905 1 2 . 1 1 437 437 LEU N N 437 120.616 120.616 120.270 0.346 19213 906 1 2 . 1 1 437 437 LEU CA C 437 55.492 55.492 54.879 0.613 19213 907 1 2 . 1 1 437 437 LEU CB C 437 43.512 43.512 42.544 0.968 19213 908 1 2 . 1 1 437 437 LEU H H 437 7.349 7.349 7.638 -0.289 19213 909 1 2 . 1 1 440 440 ARG HA H 440 3.274 3.274 3.852 -0.578 19213 910 1 2 . 1 1 440 440 ARG C C 440 175.983 175.983 177.704 -1.721 19213 911 1 2 . 1 1 440 440 ARG CA C 440 60.018 60.018 58.463 1.555 19213 912 1 2 . 1 1 440 440 ARG CB C 440 30.268 30.268 30.042 0.226 19213 913 1 2 . 1 1 441 441 GLN N N 441 117.801 117.801 118.656 -0.855 19213 914 1 2 . 1 1 441 441 GLN HA H 441 3.804 3.804 4.470 -0.666 19213 915 1 2 . 1 1 441 441 GLN C C 441 178.030 178.030 177.766 0.264 19213 916 1 2 . 1 1 441 441 GLN CA C 441 58.764 58.764 58.851 -0.087 19213 917 1 2 . 1 1 441 441 GLN CB C 441 27.434 27.434 28.492 -1.058 19213 918 1 2 . 1 1 441 441 GLN H H 441 8.079 8.079 8.606 -0.527 19213 919 1 2 . 1 1 442 442 ALA N N 442 120.194 120.194 122.542 -2.348 19213 920 1 2 . 1 1 442 442 ALA HA H 442 4.123 4.123 4.112 0.011 19213 921 1 2 . 1 1 442 442 ALA C C 442 181.577 181.577 179.460 2.117 19213 922 1 2 . 1 1 442 442 ALA CA C 442 54.940 54.940 54.999 -0.059 19213 923 1 2 . 1 1 442 442 ALA CB C 442 18.705 18.705 18.139 0.566 19213 924 1 2 . 1 1 442 442 ALA H H 442 7.914 7.914 7.739 0.175 19213 925 1 2 . 1 1 443 443 ILE N N 443 120.712 120.712 115.797 4.915 19213 926 1 2 . 1 1 443 443 ILE HA H 443 3.445 3.445 3.545 -0.100 19213 927 1 2 . 1 1 443 443 ILE C C 443 177.663 177.663 177.759 -0.096 19213 928 1 2 . 1 1 443 443 ILE CA C 443 65.907 65.907 64.284 1.623 19213 929 1 2 . 1 1 443 443 ILE CB C 443 37.169 37.169 36.864 0.305 19213 930 1 2 . 1 1 443 443 ILE H H 443 7.663 7.663 7.259 0.404 19213 931 1 2 . 1 1 444 444 PHE N N 444 119.033 119.033 118.663 0.370 19213 932 1 2 . 1 1 444 444 PHE HA H 444 4.311 4.311 4.221 0.090 19213 933 1 2 . 1 1 444 444 PHE C C 444 178.273 178.273 178.040 0.233 19213 934 1 2 . 1 1 444 444 PHE CA C 444 58.956 58.956 61.407 -2.451 19213 935 1 2 . 1 1 444 444 PHE CB C 444 38.154 38.154 37.997 0.157 19213 936 1 2 . 1 1 444 444 PHE H H 444 8.077 8.077 7.272 0.805 19213 937 1 2 . 1 1 445 445 GLU N N 445 115.469 115.469 120.112 -4.643 19213 938 1 2 . 1 1 445 445 GLU HA H 445 4.399 4.399 4.068 0.331 19213 939 1 2 . 1 1 445 445 GLU C C 445 179.822 179.822 178.703 1.119 19213 940 1 2 . 1 1 445 445 GLU CA C 445 58.472 58.472 59.999 -1.527 19213 941 1 2 . 1 1 445 445 GLU CB C 445 28.797 28.797 29.084 -0.287 19213 942 1 2 . 1 1 445 445 GLU H H 445 8.746 8.746 8.500 0.246 19213 943 1 2 . 1 1 446 446 THR N N 446 117.987 117.987 114.913 3.074 19213 944 1 2 . 1 1 446 446 THR HA H 446 4.067 4.067 4.010 0.057 19213 945 1 2 . 1 1 446 446 THR C C 446 175.802 175.802 176.801 -0.999 19213 946 1 2 . 1 1 446 446 THR CA C 446 66.959 66.959 66.278 0.681 19213 947 1 2 . 1 1 446 446 THR CB C 446 68.289 68.289 68.189 0.100 19213 948 1 2 . 1 1 446 446 THR H H 446 8.139 8.139 7.787 0.352 19213 949 1 2 . 1 1 447 447 LEU N N 447 122.061 122.061 121.962 0.099 19213 950 1 2 . 1 1 447 447 LEU HA H 447 3.874 3.874 4.002 -0.128 19213 951 1 2 . 1 1 447 447 LEU C C 447 179.377 179.377 179.323 0.054 19213 952 1 2 . 1 1 447 447 LEU CA C 447 58.858 58.858 57.836 1.022 19213 953 1 2 . 1 1 447 447 LEU CB C 447 42.709 42.709 41.210 1.499 19213 954 1 2 . 1 1 447 447 LEU H H 447 8.608 8.608 7.405 1.203 19213 955 1 2 . 1 1 448 448 VAL N N 448 108.293 108.293 118.763 -10.470 19213 956 1 2 . 1 1 448 448 VAL HA H 448 3.973 3.973 3.668 0.305 19213 957 1 2 . 1 1 448 448 VAL C C 448 177.414 177.414 177.899 -0.485 19213 958 1 2 . 1 1 448 448 VAL CA C 448 64.624 64.624 66.468 -1.844 19213 959 1 2 . 1 1 448 448 VAL CB C 448 29.895 29.895 31.463 -1.568 19213 960 1 2 . 1 1 448 448 VAL H H 448 7.783 7.783 8.265 -0.482 19213 961 1 2 . 1 1 449 449 ALA N N 449 124.901 124.901 123.275 1.626 19213 962 1 2 . 1 1 449 449 ALA HA H 449 4.291 4.291 4.002 0.289 19213 963 1 2 . 1 1 449 449 ALA C C 449 181.177 181.177 179.508 1.669 19213 964 1 2 . 1 1 449 449 ALA CA C 449 55.144 55.144 55.638 -0.493 19213 965 1 2 . 1 1 449 449 ALA CB C 449 18.558 18.558 18.321 0.237 19213 966 1 2 . 1 1 449 449 ALA H H 449 7.477 7.477 8.786 -1.309 19213 967 1 2 . 1 1 450 450 LYS N N 450 118.438 118.438 118.212 0.226 19213 968 1 2 . 1 1 450 450 LYS HA H 450 4.194 4.194 4.189 0.005 19213 969 1 2 . 1 1 450 450 LYS C C 450 180.027 180.027 179.556 0.471 19213 970 1 2 . 1 1 450 450 LYS CA C 450 58.274 58.274 58.573 -0.299 19213 971 1 2 . 1 1 450 450 LYS CB C 450 31.673 31.673 32.338 -0.665 19213 972 1 2 . 1 1 450 450 LYS H H 450 8.835 8.835 8.428 0.407 19213 973 1 2 . 1 1 451 451 GLY N N 451 108.035 108.035 107.974 0.061 19213 974 1 2 . 1 1 451 451 GLY C C 451 173.706 173.706 176.225 -2.519 19213 975 1 2 . 1 1 451 451 GLY CA C 451 47.992 47.992 47.282 0.710 19213 976 1 2 . 1 1 451 451 GLY H H 451 8.765 8.765 8.626 0.139 19213 977 1 2 . 1 1 452 452 ARG N N 452 122.460 122.460 120.227 2.233 19213 978 1 2 . 1 1 452 452 ARG HA H 452 4.080 4.080 4.224 -0.144 19213 979 1 2 . 1 1 452 452 ARG C C 452 178.863 178.863 177.926 0.937 19213 980 1 2 . 1 1 452 452 ARG CA C 452 60.572 60.572 59.029 1.543 19213 981 1 2 . 1 1 452 452 ARG CB C 452 30.407 30.407 29.900 0.507 19213 982 1 2 . 1 1 452 452 ARG H H 452 8.272 8.272 8.042 0.230 19213 983 1 2 . 1 1 453 453 GLU N N 453 119.784 119.784 119.533 0.251 19213 984 1 2 . 1 1 453 453 GLU HA H 453 4.096 4.096 4.146 -0.050 19213 985 1 2 . 1 1 453 453 GLU C C 453 178.778 178.778 178.586 0.192 19213 986 1 2 . 1 1 453 453 GLU CA C 453 59.023 59.023 58.698 0.325 19213 987 1 2 . 1 1 453 453 GLU CB C 453 30.241 30.241 29.837 0.404 19213 988 1 2 . 1 1 453 453 GLU H H 453 7.894 7.894 7.653 0.241 19213 989 1 2 . 1 1 454 454 LEU N N 454 119.313 119.313 118.333 0.980 19213 990 1 2 . 1 1 454 454 LEU HA H 454 4.171 4.171 4.066 0.105 19213 991 1 2 . 1 1 454 454 LEU C C 454 178.457 178.457 178.809 -0.352 19213 992 1 2 . 1 1 454 454 LEU CA C 454 57.869 57.869 57.409 0.460 19213 993 1 2 . 1 1 454 454 LEU CB C 454 42.922 42.922 42.294 0.628 19213 994 1 2 . 1 1 454 454 LEU H H 454 8.328 8.328 8.361 -0.033 19213 995 1 2 . 1 1 455 455 LEU N N 455 113.192 113.192 115.087 -1.895 19213 996 1 2 . 1 1 455 455 LEU HA H 455 4.380 4.380 4.336 0.044 19213 997 1 2 . 1 1 455 455 LEU C C 455 176.795 176.795 176.314 0.481 19213 998 1 2 . 1 1 455 455 LEU CA C 455 54.643 54.643 54.388 0.255 19213 999 1 2 . 1 1 455 455 LEU CB C 455 43.897 43.897 42.279 1.618 19213 1000 1 2 . 1 1 455 455 LEU H H 455 7.424 7.424 7.417 0.007 19213 1001 1 2 . 1 1 456 456 ALA N N 456 124.175 124.175 120.000 4.175 19213 1002 1 2 . 1 1 456 456 ALA HA H 456 4.244 4.244 4.173 0.071 19213 1003 1 2 . 1 1 456 456 ALA C C 456 177.051 177.051 176.550 0.501 19213 1004 1 2 . 1 1 456 456 ALA CA C 456 52.975 52.975 52.445 0.530 19213 1005 1 2 . 1 1 456 456 ALA CB C 456 16.514 16.514 16.127 0.387 19213 1006 1 2 . 1 1 456 456 ALA H H 456 8.573 8.573 7.206 1.367 19213 1007 1 2 . 1 1 457 457 CYS N N 457 111.282 111.282 118.750 -7.468 19213 1008 1 2 . 1 1 457 457 CYS HA H 457 5.592 5.592 4.576 1.016 19213 1009 1 2 . 1 1 457 457 CYS C C 457 172.935 172.935 175.200 -2.265 19213 1010 1 2 . 1 1 457 457 CYS CA C 457 54.876 54.876 58.026 -3.150 19213 1011 1 2 . 1 1 457 457 CYS CB C 457 29.887 29.887 30.357 -0.470 19213 1012 1 2 . 1 1 457 457 CYS H H 457 7.000 7.000 7.866 -0.866 19213 1013 1 2 . 1 1 458 458 ASP N N 458 117.373 117.373 122.790 -5.417 19213 1014 1 2 . 1 1 458 458 ASP HA H 458 4.834 4.834 4.632 0.202 19213 1015 1 2 . 1 1 458 458 ASP C C 458 175.463 175.463 175.764 -0.301 19213 1016 1 2 . 1 1 458 458 ASP CA C 458 57.972 57.972 56.434 1.538 19213 1017 1 2 . 1 1 458 458 ASP CB C 458 42.753 42.753 41.439 1.314 19213 1018 1 2 . 1 1 458 458 ASP H H 458 7.265 7.265 8.523 -1.258 19213 1019 1 2 . 1 1 459 459 ARG N N 459 117.328 117.328 118.178 -0.850 19213 1020 1 2 . 1 1 459 459 ARG HA H 459 5.511 5.511 5.065 0.446 19213 1021 1 2 . 1 1 459 459 ARG C C 459 174.652 174.652 173.734 0.918 19213 1022 1 2 . 1 1 459 459 ARG CA C 459 55.593 55.593 54.850 0.743 19213 1023 1 2 . 1 1 459 459 ARG CB C 459 35.294 35.294 33.682 1.612 19213 1024 1 2 . 1 1 459 459 ARG H H 459 8.099 8.099 7.473 0.626 19213 1025 1 2 . 1 1 460 460 VAL N N 460 127.029 127.029 119.983 7.046 19213 1026 1 2 . 1 1 460 460 VAL HA H 460 5.182 5.182 4.497 0.685 19213 1027 1 2 . 1 1 460 460 VAL C C 460 174.538 174.538 172.970 1.568 19213 1028 1 2 . 1 1 460 460 VAL CA C 460 61.684 61.684 60.898 0.786 19213 1029 1 2 . 1 1 460 460 VAL CB C 460 35.157 35.157 34.787 0.370 19213 1030 1 2 . 1 1 460 460 VAL H H 460 9.215 9.215 8.427 0.788 19213 1031 1 2 . 1 1 461 461 ILE N N 461 118.191 118.191 124.989 -6.798 19213 1032 1 2 . 1 1 461 461 ILE HA H 461 5.269 5.269 4.415 0.854 19213 1033 1 2 . 1 1 461 461 ILE C C 461 174.436 174.436 174.484 -0.048 19213 1034 1 2 . 1 1 461 461 ILE CA C 461 58.897 58.897 60.208 -1.311 19213 1035 1 2 . 1 1 461 461 ILE CB C 461 41.973 41.973 40.603 1.370 19213 1036 1 2 . 1 1 461 461 ILE H H 461 9.051 9.051 8.229 0.822 19213 1037 1 2 . 1 1 462 462 VAL N N 462 119.036 119.036 124.228 -5.192 19213 1038 1 2 . 1 1 462 462 VAL HA H 462 4.218 4.218 4.371 -0.153 19213 1039 1 2 . 1 1 462 462 VAL C C 462 173.040 173.040 174.072 -1.032 19213 1040 1 2 . 1 1 462 462 VAL CA C 462 62.382 62.382 60.678 1.704 19213 1041 1 2 . 1 1 462 462 VAL CB C 462 33.016 33.016 33.998 -0.982 19213 1042 1 2 . 1 1 462 462 VAL H H 462 7.266 7.266 7.986 -0.720 19213 1043 1 2 . 1 1 463 463 TYR N N 463 131.813 131.813 122.760 9.053 19213 1044 1 2 . 1 1 463 463 TYR HA H 463 4.634 4.634 5.057 -0.423 19213 1045 1 2 . 1 1 463 463 TYR C C 463 172.062 172.062 173.018 -0.956 19213 1046 1 2 . 1 1 463 463 TYR CA C 463 54.971 54.971 55.028 -0.057 19213 1047 1 2 . 1 1 463 463 TYR CB C 463 40.572 40.572 41.020 -0.448 19213 1048 1 2 . 1 1 463 463 TYR H H 463 8.796 8.796 7.338 1.458 19213 1049 1 2 . 1 1 464 464 ALA N N 464 127.309 127.309 123.240 4.069 19213 1050 1 2 . 1 1 464 464 ALA HA H 464 3.810 3.810 3.977 -0.167 19213 1051 1 2 . 1 1 464 464 ALA C C 464 176.605 176.605 175.789 0.816 19213 1052 1 2 . 1 1 464 464 ALA CA C 464 50.931 50.931 50.555 0.376 19213 1053 1 2 . 1 1 464 464 ALA CB C 464 21.945 21.945 19.814 2.131 19213 1054 1 2 . 1 1 464 464 ALA H H 464 8.423 8.423 8.048 0.375 19213 1055 1 2 . 1 1 465 465 PHE N N 465 119.567 119.567 120.832 -1.265 19213 1056 1 2 . 1 1 465 465 PHE HA H 465 4.635 4.635 4.440 0.195 19213 1057 1 2 . 1 1 465 465 PHE C C 465 176.576 176.576 175.531 1.045 19213 1058 1 2 . 1 1 465 465 PHE CA C 465 57.430 57.430 59.802 -2.372 19213 1059 1 2 . 1 1 465 465 PHE CB C 465 41.434 41.434 40.133 1.301 19213 1060 1 2 . 1 1 465 465 PHE H H 465 7.687 7.687 8.667 -0.980 19213 1061 1 2 . 1 1 466 466 ASP N N 466 120.914 120.914 123.180 -2.266 19213 1062 1 2 . 1 1 466 466 ASP HA H 466 4.699 4.699 4.857 -0.158 19213 1063 1 2 . 1 1 466 466 ASP C C 466 178.481 178.481 176.969 1.512 19213 1064 1 2 . 1 1 466 466 ASP CA C 466 51.837 51.837 53.002 -1.165 19213 1065 1 2 . 1 1 466 466 ASP CB C 466 40.950 40.950 42.629 -1.679 19213 1066 1 2 . 1 1 466 466 ASP H H 466 7.829 7.829 8.124 -0.295 19213 1067 1 2 . 1 1 467 467 ASP N N 467 115.889 115.889 119.868 -3.979 19213 1068 1 2 . 1 1 467 467 ASP HA H 467 4.018 4.018 4.668 -0.650 19213 1069 1 2 . 1 1 467 467 ASP C C 467 176.022 176.022 176.075 -0.053 19213 1070 1 2 . 1 1 467 467 ASP CA C 467 56.052 56.052 56.132 -0.080 19213 1071 1 2 . 1 1 467 467 ASP CB C 467 40.144 40.144 40.787 -0.643 19213 1072 1 2 . 1 1 467 467 ASP H H 467 8.138 8.138 8.799 -0.661 19213 1073 1 2 . 1 1 468 468 ASN N N 468 116.903 116.903 117.411 -0.508 19213 1074 1 2 . 1 1 468 468 ASN HA H 468 4.954 4.954 4.905 0.049 19213 1075 1 2 . 1 1 468 468 ASN C C 468 174.155 174.155 174.915 -0.760 19213 1076 1 2 . 1 1 468 468 ASN CA C 468 52.052 52.052 52.505 -0.453 19213 1077 1 2 . 1 1 468 468 ASN CB C 468 39.733 39.733 38.028 1.705 19213 1078 1 2 . 1 1 468 468 ASN H H 468 8.076 8.076 8.298 -0.222 19213 1079 1 2 . 1 1 469 469 TYR N N 469 112.788 112.788 114.882 -2.094 19213 1080 1 2 . 1 1 469 469 TYR HA H 469 3.249 3.249 4.167 -0.918 19213 1081 1 2 . 1 1 469 469 TYR C C 469 175.377 175.377 174.378 0.999 19213 1082 1 2 . 1 1 469 469 TYR CA C 469 61.891 61.891 59.363 2.528 19213 1083 1 2 . 1 1 469 469 TYR CB C 469 34.352 34.352 35.991 -1.639 19213 1084 1 2 . 1 1 469 469 TYR H H 469 7.785 7.785 7.733 0.052 19213 1085 1 2 . 1 1 470 470 VAL N N 470 122.718 122.718 118.019 4.699 19213 1086 1 2 . 1 1 470 470 VAL HA H 470 4.010 4.010 4.260 -0.250 19213 1087 1 2 . 1 1 470 470 VAL CA C 470 63.699 63.699 60.823 2.876 19213 1088 1 2 . 1 1 470 470 VAL CB C 470 30.721 30.721 33.415 -2.694 19213 1089 1 2 . 1 1 470 470 VAL H H 470 8.666 8.666 7.600 1.066 19213 1090 1 2 . 1 1 471 471 GLY C C 471 170.959 170.959 173.004 -2.045 19213 1091 1 2 . 1 1 471 471 GLY CA C 471 43.674 43.674 44.076 -0.402 19213 1092 1 2 . 1 1 472 472 THR N N 472 118.003 118.003 115.294 2.709 19213 1093 1 2 . 1 1 472 472 THR HA H 472 4.931 4.931 4.573 0.358 19213 1094 1 2 . 1 1 472 472 THR C C 472 174.282 174.282 173.732 0.550 19213 1095 1 2 . 1 1 472 472 THR CA C 472 61.142 61.142 61.979 -0.837 19213 1096 1 2 . 1 1 472 472 THR CB C 472 70.941 70.941 70.673 0.268 19213 1097 1 2 . 1 1 472 472 THR H H 472 8.150 8.150 7.908 0.242 19213 1098 1 2 . 1 1 473 473 VAL N N 473 126.802 126.802 129.410 -2.608 19213 1099 1 2 . 1 1 473 473 VAL HA H 473 4.552 4.552 4.120 0.432 19213 1100 1 2 . 1 1 473 473 VAL C C 473 175.472 175.472 175.660 -0.188 19213 1101 1 2 . 1 1 473 473 VAL CA C 473 62.066 62.066 63.409 -1.343 19213 1102 1 2 . 1 1 473 473 VAL CB C 473 29.572 29.572 30.396 -0.824 19213 1103 1 2 . 1 1 473 473 VAL H H 473 8.740 8.740 9.226 -0.486 19213 1104 1 2 . 1 1 474 474 VAL N N 474 122.729 122.729 127.548 -4.819 19213 1105 1 2 . 1 1 474 474 VAL HA H 474 4.394 4.394 4.222 0.172 19213 1106 1 2 . 1 1 474 474 VAL C C 474 175.653 175.653 174.863 0.790 19213 1107 1 2 . 1 1 474 474 VAL CA C 474 62.168 62.168 61.186 0.982 19213 1108 1 2 . 1 1 474 474 VAL CB C 474 32.041 32.041 32.407 -0.366 19213 1109 1 2 . 1 1 474 474 VAL H H 474 7.753 7.753 7.905 -0.152 19213 1110 1 2 . 1 1 475 475 ALA N N 475 117.768 117.768 121.563 -3.795 19213 1111 1 2 . 1 1 475 475 ALA HA H 475 4.493 4.493 4.662 -0.169 19213 1112 1 2 . 1 1 475 475 ALA C C 475 174.317 174.317 174.536 -0.219 19213 1113 1 2 . 1 1 475 475 ALA CA C 475 52.144 52.144 51.723 0.421 19213 1114 1 2 . 1 1 475 475 ALA CB C 475 23.434 23.434 21.333 2.101 19213 1115 1 2 . 1 1 475 475 ALA H H 475 7.366 7.366 7.097 0.269 19213 1116 1 2 . 1 1 476 476 GLU N N 476 122.294 122.294 123.140 -0.846 19213 1117 1 2 . 1 1 476 476 GLU HA H 476 5.143 5.143 4.648 0.495 19213 1118 1 2 . 1 1 476 476 GLU C C 476 173.452 173.452 174.655 -1.203 19213 1119 1 2 . 1 1 476 476 GLU CA C 476 55.216 55.216 55.557 -0.341 19213 1120 1 2 . 1 1 476 476 GLU CB C 476 36.288 36.288 33.170 3.118 19213 1121 1 2 . 1 1 476 476 GLU H H 476 8.455 8.455 8.532 -0.077 19213 1122 1 2 . 1 1 477 477 SER N N 477 121.014 121.014 121.040 -0.026 19213 1123 1 2 . 1 1 477 477 SER HA H 477 4.910 4.910 4.942 -0.032 19213 1124 1 2 . 1 1 477 477 SER C C 477 173.417 173.417 172.418 0.999 19213 1125 1 2 . 1 1 477 477 SER CA C 477 56.576 56.576 56.998 -0.422 19213 1126 1 2 . 1 1 477 477 SER CB C 477 63.836 63.836 64.648 -0.812 19213 1127 1 2 . 1 1 477 477 SER H H 477 8.867 8.867 8.391 0.476 19213 1128 1 2 . 1 1 478 478 VAL N N 478 128.791 128.791 122.000 6.791 19213 1129 1 2 . 1 1 478 478 VAL HA H 478 5.361 5.361 4.797 0.564 19213 1130 1 2 . 1 1 478 478 VAL C C 478 172.729 172.729 175.178 -2.449 19213 1131 1 2 . 1 1 478 478 VAL CA C 478 58.657 58.657 59.747 -1.090 19213 1132 1 2 . 1 1 478 478 VAL CB C 478 35.971 35.971 35.489 0.482 19213 1133 1 2 . 1 1 478 478 VAL H H 478 9.143 9.143 8.372 0.771 19213 1134 1 2 . 1 1 479 479 ALA N N 479 129.671 129.671 129.211 0.460 19213 1135 1 2 . 1 1 479 479 ALA HA H 479 4.373 4.373 4.405 -0.032 19213 1136 1 2 . 1 1 479 479 ALA C C 479 176.732 176.732 177.315 -0.583 19213 1137 1 2 . 1 1 479 479 ALA CA C 479 52.231 52.231 52.420 -0.189 19213 1138 1 2 . 1 1 479 479 ALA CB C 479 20.053 20.053 19.806 0.247 19213 1139 1 2 . 1 1 479 479 ALA H H 479 8.632 8.632 8.505 0.127 19213 1140 1 2 . 1 1 480 480 GLU N N 480 120.434 120.434 120.459 -0.025 19213 1141 1 2 . 1 1 480 480 GLU HA H 480 4.028 4.028 4.048 -0.020 19213 1142 1 2 . 1 1 480 480 GLU C C 480 177.151 177.151 176.976 0.175 19213 1143 1 2 . 1 1 480 480 GLU CA C 480 58.179 58.179 57.758 0.421 19213 1144 1 2 . 1 1 480 480 GLU CB C 480 29.797 29.797 29.425 0.372 19213 1145 1 2 . 1 1 480 480 GLU H H 480 8.558 8.558 8.591 -0.033 19213 1146 1 2 . 1 1 481 481 GLY N N 481 110.914 110.914 111.122 -0.208 19213 1147 1 2 . 1 1 481 481 GLY C C 481 174.073 174.073 173.805 0.268 19213 1148 1 2 . 1 1 481 481 GLY CA C 481 44.681 44.681 44.177 0.504 19213 1149 1 2 . 1 1 481 481 GLY H H 481 8.539 8.539 8.489 0.050 19213 1150 1 2 . 1 1 482 482 TRP N N 482 119.508 119.508 121.959 -2.451 19213 1151 1 2 . 1 1 482 482 TRP HA H 482 5.290 5.290 5.016 0.274 19213 1152 1 2 . 1 1 482 482 TRP CA C 482 53.659 53.659 54.239 -0.579 19213 1153 1 2 . 1 1 482 482 TRP CB C 482 29.487 29.487 29.667 -0.180 19213 1154 1 2 . 1 1 482 482 TRP H H 482 7.009 7.009 7.181 -0.172 19213 1155 1 2 . 1 1 483 483 PRO HA H 483 4.426 4.426 4.593 -0.167 19213 1156 1 2 . 1 1 483 483 PRO C C 483 175.722 175.722 175.581 0.141 19213 1157 1 2 . 1 1 483 483 PRO CA C 483 63.259 63.259 62.600 0.659 19213 1158 1 2 . 1 1 483 483 PRO CB C 483 33.238 33.238 32.559 0.679 19213 1159 1 2 . 1 1 484 484 GLN N N 484 121.488 121.488 122.581 -1.093 19213 1160 1 2 . 1 1 484 484 GLN HA H 484 4.936 4.936 4.419 0.517 19213 1161 1 2 . 1 1 484 484 GLN C C 484 176.405 176.405 175.047 1.358 19213 1162 1 2 . 1 1 484 484 GLN CA C 484 55.688 55.688 55.429 0.259 19213 1163 1 2 . 1 1 484 484 GLN CB C 484 29.565 29.565 30.885 -1.320 19213 1164 1 2 . 1 1 484 484 GLN H H 484 8.646 8.646 8.467 0.179 19213 1165 1 2 . 1 1 485 485 ALA N N 485 133.617 133.617 125.924 7.693 19213 1166 1 2 . 1 1 485 485 ALA HA H 485 4.340 4.340 4.686 -0.346 19213 1167 1 2 . 1 1 485 485 ALA C C 485 176.317 176.317 176.377 -0.060 19213 1168 1 2 . 1 1 485 485 ALA CA C 485 51.289 51.289 52.060 -0.771 19213 1169 1 2 . 1 1 485 485 ALA CB C 485 20.581 20.581 20.698 -0.117 19213 1170 1 2 . 1 1 485 485 ALA H H 485 11.964 11.964 9.672 2.292 19213 1171 1 2 . 1 1 486 486 ARG N N 486 119.720 119.720 119.008 0.712 19213 1172 1 2 . 1 1 486 486 ARG HA H 486 3.300 3.300 4.044 -0.744 19213 1173 1 2 . 1 1 486 486 ARG C C 486 175.502 175.502 175.053 0.449 19213 1174 1 2 . 1 1 486 486 ARG CA C 486 59.200 59.200 56.558 2.642 19213 1175 1 2 . 1 1 486 486 ARG CB C 486 30.648 30.648 28.209 2.438 19213 1176 1 2 . 1 1 486 486 ARG H H 486 8.235 8.235 8.156 0.079 19213 1177 1 2 . 1 1 487 487 ASP N N 487 119.936 119.936 116.093 3.843 19213 1178 1 2 . 1 1 487 487 ASP HA H 487 4.141 4.141 4.096 0.045 19213 1179 1 2 . 1 1 487 487 ASP C C 487 175.557 175.557 175.001 0.556 19213 1180 1 2 . 1 1 487 487 ASP CA C 487 57.148 57.148 55.788 1.360 19213 1181 1 2 . 1 1 487 487 ASP CB C 487 39.031 39.031 38.886 0.145 19213 1182 1 2 . 1 1 487 487 ASP H H 487 9.023 9.023 9.071 -0.048 19213 1183 1 2 . 1 1 488 488 GLN N N 488 119.954 119.954 118.057 1.897 19213 1184 1 2 . 1 1 488 488 GLN HA H 488 4.147 4.147 4.581 -0.434 19213 1185 1 2 . 1 1 488 488 GLN C C 488 174.993 174.993 174.677 0.316 19213 1186 1 2 . 1 1 488 488 GLN CA C 488 57.475 57.475 54.803 2.671 19213 1187 1 2 . 1 1 488 488 GLN CB C 488 28.866 28.866 31.470 -2.604 19213 1188 1 2 . 1 1 488 488 GLN H H 488 8.200 8.200 7.730 0.470 19213 1189 1 2 . 1 1 489 489 VAL N N 489 124.202 124.202 118.483 5.719 19213 1190 1 2 . 1 1 489 489 VAL HA H 489 4.593 4.593 4.558 0.035 19213 1191 1 2 . 1 1 489 489 VAL C C 489 177.060 177.060 174.503 2.557 19213 1192 1 2 . 1 1 489 489 VAL CA C 489 61.871 61.871 60.242 1.629 19213 1193 1 2 . 1 1 489 489 VAL CB C 489 32.575 32.575 33.149 -0.574 19213 1194 1 2 . 1 1 489 489 VAL H H 489 8.379 8.379 8.367 0.012 19213 1195 1 2 . 1 1 490 490 ILE N N 490 128.772 128.772 126.929 1.843 19213 1196 1 2 . 1 1 490 490 ILE HA H 490 4.433 4.433 4.161 0.272 19213 1197 1 2 . 1 1 490 490 ILE C C 490 174.634 174.634 174.676 -0.042 19213 1198 1 2 . 1 1 490 490 ILE CA C 490 60.464 60.464 60.595 -0.131 19213 1199 1 2 . 1 1 490 490 ILE CB C 490 41.025 41.025 38.267 2.758 19213 1200 1 2 . 1 1 490 490 ILE H H 490 8.952 8.952 8.302 0.650 19213 1201 1 2 . 1 1 491 491 GLU N N 491 130.867 130.867 128.095 2.772 19213 1202 1 2 . 1 1 491 491 GLU HA H 491 4.598 4.598 4.488 0.110 19213 1203 1 2 . 1 1 491 491 GLU C C 491 174.015 174.015 174.575 -0.560 19213 1204 1 2 . 1 1 491 491 GLU CA C 491 55.930 55.930 55.664 0.266 19213 1205 1 2 . 1 1 491 491 GLU CB C 491 28.942 28.942 30.764 -1.821 19213 1206 1 2 . 1 1 491 491 GLU H H 491 9.289 9.289 8.659 0.630 19213 1207 1 2 . 1 1 492 492 ASP N N 492 130.401 130.401 124.195 6.206 19213 1208 1 2 . 1 1 492 492 ASP HA H 492 5.210 5.210 5.023 0.187 19213 1209 1 2 . 1 1 492 492 ASP CA C 492 50.160 50.160 51.747 -1.587 19213 1210 1 2 . 1 1 492 492 ASP CB C 492 43.965 43.965 42.857 1.108 19213 1211 1 2 . 1 1 492 492 ASP H H 492 9.437 9.437 8.366 1.071 19213 1212 1 2 . 1 1 493 493 PRO HA H 493 4.359 4.359 4.373 -0.014 19213 1213 1 2 . 1 1 493 493 PRO C C 493 176.079 176.079 175.899 0.180 19213 1214 1 2 . 1 1 493 493 PRO CA C 493 63.617 63.617 63.065 0.552 19213 1215 1 2 . 1 1 493 493 PRO CB C 493 33.300 33.300 30.001 3.299 19213 1216 1 2 . 1 1 494 494 CYS N N 494 117.251 117.251 118.487 -1.236 19213 1217 1 2 . 1 1 494 494 CYS HA H 494 4.147 4.147 4.504 -0.357 19213 1218 1 2 . 1 1 494 494 CYS C C 494 176.789 176.789 176.572 0.217 19213 1219 1 2 . 1 1 494 494 CYS CA C 494 58.195 58.195 59.864 -1.669 19213 1220 1 2 . 1 1 494 494 CYS CB C 494 33.343 33.343 28.966 4.377 19213 1221 1 2 . 1 1 494 494 CYS H H 494 8.806 8.806 8.102 0.704 19213 1222 1 2 . 1 1 495 495 PHE N N 495 118.785 118.785 121.538 -2.753 19213 1223 1 2 . 1 1 495 495 PHE HA H 495 4.328 4.328 4.594 -0.266 19213 1224 1 2 . 1 1 495 495 PHE C C 495 176.529 176.529 177.673 -1.144 19213 1225 1 2 . 1 1 495 495 PHE CA C 495 63.265 63.265 60.042 3.223 19213 1226 1 2 . 1 1 495 495 PHE CB C 495 37.239 37.239 37.929 -0.690 19213 1227 1 2 . 1 1 495 495 PHE H H 495 6.799 6.799 8.271 -1.472 19213 1228 1 2 . 1 1 496 496 ARG N N 496 118.755 118.755 119.270 -0.515 19213 1229 1 2 . 1 1 496 496 ARG HA H 496 3.692 3.692 3.425 0.267 19213 1230 1 2 . 1 1 496 496 ARG C C 496 178.119 178.119 176.428 1.691 19213 1231 1 2 . 1 1 496 496 ARG CA C 496 58.495 58.495 58.010 0.485 19213 1232 1 2 . 1 1 496 496 ARG CB C 496 29.942 29.942 28.404 1.538 19213 1233 1 2 . 1 1 496 496 ARG H H 496 9.000 9.000 6.109 2.891 19213 1234 1 2 . 1 1 497 497 GLU N N 497 115.895 115.895 118.587 -2.692 19213 1235 1 2 . 1 1 497 497 GLU HA H 497 3.858 3.858 4.182 -0.324 19213 1236 1 2 . 1 1 497 497 GLU C C 497 177.981 177.981 177.118 0.863 19213 1237 1 2 . 1 1 497 497 GLU CA C 497 58.920 58.920 57.880 1.040 19213 1238 1 2 . 1 1 497 497 GLU CB C 497 29.841 29.841 29.886 -0.045 19213 1239 1 2 . 1 1 497 497 GLU H H 497 7.849 7.849 7.861 -0.012 19213 1240 1 2 . 1 1 498 498 HIS N N 498 111.119 111.119 116.283 -5.164 19213 1241 1 2 . 1 1 498 498 HIS HA H 498 4.710 4.710 4.672 0.038 19213 1242 1 2 . 1 1 498 498 HIS CA C 498 55.904 55.904 57.579 -1.675 19213 1243 1 2 . 1 1 498 498 HIS CB C 498 30.890 30.890 30.448 0.442 19213 1244 1 2 . 1 1 498 498 HIS H H 498 7.717 7.717 7.230 0.487 19213 1245 1 2 . 1 1 499 499 TRP HA H 499 5.476 5.476 4.588 0.888 19213 1246 1 2 . 1 1 499 499 TRP C C 499 176.398 176.398 177.786 -1.388 19213 1247 1 2 . 1 1 499 499 TRP CA C 499 58.111 58.111 60.952 -2.841 19213 1248 1 2 . 1 1 499 499 TRP CB C 499 34.294 34.294 28.951 5.343 19213 1249 1 2 . 1 1 500 500 VAL N N 500 121.907 121.907 121.929 -0.022 19213 1250 1 2 . 1 1 500 500 VAL HA H 500 3.421 3.421 3.318 0.103 19213 1251 1 2 . 1 1 500 500 VAL C C 500 177.163 177.163 177.200 -0.037 19213 1252 1 2 . 1 1 500 500 VAL CA C 500 68.043 68.043 67.418 0.625 19213 1253 1 2 . 1 1 500 500 VAL CB C 500 31.127 31.127 31.747 -0.620 19213 1254 1 2 . 1 1 500 500 VAL H H 500 8.071 8.071 7.667 0.404 19213 1255 1 2 . 1 1 501 501 GLU N N 501 117.634 117.634 118.881 -1.247 19213 1256 1 2 . 1 1 501 501 GLU HA H 501 4.130 4.130 3.872 0.258 19213 1257 1 2 . 1 1 501 501 GLU C C 501 178.314 178.314 178.794 -0.480 19213 1258 1 2 . 1 1 501 501 GLU CA C 501 58.781 58.781 59.372 -0.591 19213 1259 1 2 . 1 1 501 501 GLU CB C 501 28.631 28.631 29.036 -0.405 19213 1260 1 2 . 1 1 501 501 GLU H H 501 8.188 8.188 8.283 -0.095 19213 1261 1 2 . 1 1 502 502 ALA N N 502 120.830 120.830 121.763 -0.933 19213 1262 1 2 . 1 1 502 502 ALA HA H 502 4.106 4.106 4.088 0.018 19213 1263 1 2 . 1 1 502 502 ALA C C 502 181.963 181.963 180.325 1.638 19213 1264 1 2 . 1 1 502 502 ALA CA C 502 54.953 54.953 54.826 0.127 19213 1265 1 2 . 1 1 502 502 ALA CB C 502 18.558 18.558 18.251 0.307 19213 1266 1 2 . 1 1 502 502 ALA H H 502 7.996 7.996 7.853 0.143 19213 1267 1 2 . 1 1 503 503 TYR N N 503 118.238 118.238 118.889 -0.651 19213 1268 1 2 . 1 1 503 503 TYR HA H 503 4.362 4.362 4.413 -0.051 19213 1269 1 2 . 1 1 503 503 TYR C C 503 178.723 178.723 179.117 -0.394 19213 1270 1 2 . 1 1 503 503 TYR CA C 503 64.148 64.148 60.187 3.961 19213 1271 1 2 . 1 1 503 503 TYR CB C 503 39.126 39.126 38.027 1.099 19213 1272 1 2 . 1 1 503 503 TYR H H 503 8.665 8.665 8.717 -0.052 19213 1273 1 2 . 1 1 504 504 ARG N N 504 121.723 121.723 117.554 4.169 19213 1274 1 2 . 1 1 504 504 ARG HA H 504 3.905 3.905 4.091 -0.186 19213 1275 1 2 . 1 1 504 504 ARG C C 504 177.714 177.714 177.776 -0.062 19213 1276 1 2 . 1 1 504 504 ARG CA C 504 59.679 59.679 58.415 1.264 19213 1277 1 2 . 1 1 504 504 ARG CB C 504 30.495 30.495 29.127 1.368 19213 1278 1 2 . 1 1 504 504 ARG H H 504 8.824 8.824 7.983 0.841 19213 1279 1 2 . 1 1 505 505 GLN N N 505 113.473 113.473 115.625 -2.152 19213 1280 1 2 . 1 1 505 505 GLN HA H 505 4.332 4.332 4.368 -0.036 19213 1281 1 2 . 1 1 505 505 GLN C C 505 176.403 176.403 176.813 -0.410 19213 1282 1 2 . 1 1 505 505 GLN CA C 505 55.387 55.387 55.253 0.134 19213 1283 1 2 . 1 1 505 505 GLN CB C 505 28.792 28.792 28.908 -0.116 19213 1284 1 2 . 1 1 505 505 GLN H H 505 7.613 7.613 7.552 0.061 19213 1285 1 2 . 1 1 506 506 GLY N N 506 106.968 106.968 107.800 -0.832 19213 1286 1 2 . 1 1 506 506 GLY C C 506 174.133 174.133 174.069 0.064 19213 1287 1 2 . 1 1 506 506 GLY CA C 506 45.874 45.874 44.928 0.946 19213 1288 1 2 . 1 1 506 506 GLY H H 506 7.867 7.867 8.309 -0.442 19213 1289 1 2 . 1 1 507 507 ARG N N 507 123.761 123.761 120.177 3.584 19213 1290 1 2 . 1 1 507 507 ARG HA H 507 3.717 3.717 4.478 -0.761 19213 1291 1 2 . 1 1 507 507 ARG C C 507 171.000 171.000 175.531 -4.531 19213 1292 1 2 . 1 1 507 507 ARG CA C 507 58.285 58.285 55.418 2.867 19213 1293 1 2 . 1 1 507 507 ARG CB C 507 29.901 29.901 31.516 -1.615 19213 1294 1 2 . 1 1 507 507 ARG H H 507 7.858 7.858 7.734 0.124 19213 1295 1 2 . 1 1 508 508 ILE N N 508 119.641 119.641 115.348 4.293 19213 1296 1 2 . 1 1 508 508 ILE HA H 508 4.859 4.859 4.570 0.289 19213 1297 1 2 . 1 1 508 508 ILE C C 508 176.521 176.521 174.491 2.030 19213 1298 1 2 . 1 1 508 508 ILE CA C 508 59.199 59.199 58.951 0.248 19213 1299 1 2 . 1 1 508 508 ILE CB C 508 42.573 42.573 42.289 0.284 19213 1300 1 2 . 1 1 508 508 ILE H H 508 7.180 7.180 8.037 -0.857 19213 1301 1 2 . 1 1 509 509 GLN N N 509 125.871 125.871 122.434 3.437 19213 1302 1 2 . 1 1 509 509 GLN HA H 509 4.918 4.918 4.570 0.348 19213 1303 1 2 . 1 1 509 509 GLN C C 509 173.750 173.750 173.836 -0.086 19213 1304 1 2 . 1 1 509 509 GLN CA C 509 54.255 54.255 54.722 -0.467 19213 1305 1 2 . 1 1 509 509 GLN CB C 509 32.267 32.267 32.155 0.112 19213 1306 1 2 . 1 1 509 509 GLN H H 509 8.536 8.536 8.342 0.194 19213 1307 1 2 . 1 1 510 510 ALA N N 510 133.952 133.952 130.465 3.487 19213 1308 1 2 . 1 1 510 510 ALA HA H 510 4.946 4.946 5.859 -0.913 19213 1309 1 2 . 1 1 510 510 ALA C C 510 175.742 175.742 176.939 -1.197 19213 1310 1 2 . 1 1 510 510 ALA CA C 510 51.009 51.009 50.763 0.246 19213 1311 1 2 . 1 1 510 510 ALA CB C 510 21.245 21.245 21.220 0.025 19213 1312 1 2 . 1 1 510 510 ALA H H 510 8.865 8.865 8.524 0.341 19213 1313 1 2 . 1 1 511 511 THR N N 511 121.442 121.442 121.503 -0.061 19213 1314 1 2 . 1 1 511 511 THR HA H 511 4.652 4.652 4.778 -0.126 19213 1315 1 2 . 1 1 511 511 THR C C 511 174.487 174.487 174.243 0.244 19213 1316 1 2 . 1 1 511 511 THR CA C 511 62.152 62.152 61.739 0.413 19213 1317 1 2 . 1 1 511 511 THR CB C 511 69.678 69.678 70.903 -1.225 19213 1318 1 2 . 1 1 511 511 THR H H 511 9.368 9.368 9.065 0.303 19213 1319 1 2 . 1 1 512 512 THR N N 512 126.491 126.491 119.299 7.192 19213 1320 1 2 . 1 1 512 512 THR HA H 512 4.706 4.706 4.025 0.681 19213 1321 1 2 . 1 1 512 512 THR C C 512 173.054 173.054 174.569 -1.515 19213 1322 1 2 . 1 1 512 512 THR CA C 512 63.609 63.609 66.055 -2.446 19213 1323 1 2 . 1 1 512 512 THR CB C 512 69.408 69.408 69.075 0.333 19213 1324 1 2 . 1 1 512 512 THR H H 512 8.829 8.829 8.379 0.450 19213 1325 1 2 . 1 1 513 513 ASP N N 513 113.706 113.706 119.684 -5.978 19213 1326 1 2 . 1 1 513 513 ASP HA H 513 5.022 5.022 5.001 0.021 19213 1327 1 2 . 1 1 513 513 ASP C C 513 179.097 179.097 177.149 1.948 19213 1328 1 2 . 1 1 513 513 ASP CA C 513 52.164 52.164 52.134 0.030 19213 1329 1 2 . 1 1 513 513 ASP CB C 513 42.331 42.331 40.809 1.522 19213 1330 1 2 . 1 1 513 513 ASP H H 513 7.272 7.272 7.982 -0.710 19213 1331 1 2 . 1 1 514 514 ILE N N 514 123.327 123.327 122.213 1.114 19213 1332 1 2 . 1 1 514 514 ILE HA H 514 3.636 3.636 3.966 -0.330 19213 1333 1 2 . 1 1 514 514 ILE C C 514 175.769 175.769 176.403 -0.634 19213 1334 1 2 . 1 1 514 514 ILE CA C 514 63.545 63.545 63.866 -0.321 19213 1335 1 2 . 1 1 514 514 ILE CB C 514 38.180 38.180 37.423 0.756 19213 1336 1 2 . 1 1 514 514 ILE H H 514 8.916 8.916 8.365 0.551 19213 1337 1 2 . 1 1 515 515 PHE N N 515 117.344 117.344 118.767 -1.423 19213 1338 1 2 . 1 1 515 515 PHE HA H 515 4.517 4.517 4.428 0.089 19213 1339 1 2 . 1 1 515 515 PHE C C 515 176.514 176.514 176.538 -0.024 19213 1340 1 2 . 1 1 515 515 PHE CA C 515 58.401 58.401 59.957 -1.556 19213 1341 1 2 . 1 1 515 515 PHE CB C 515 37.600 37.600 38.636 -1.036 19213 1342 1 2 . 1 1 515 515 PHE H H 515 8.154 8.154 8.046 0.108 19213 1343 1 2 . 1 1 516 516 LYS N N 516 120.351 120.351 116.450 3.901 19213 1344 1 2 . 1 1 516 516 LYS HA H 516 4.715 4.715 4.413 0.302 19213 1345 1 2 . 1 1 516 516 LYS C C 516 175.486 175.486 176.121 -0.635 19213 1346 1 2 . 1 1 516 516 LYS CA C 516 54.831 54.831 56.215 -1.384 19213 1347 1 2 . 1 1 516 516 LYS CB C 516 33.581 33.581 33.966 -0.385 19213 1348 1 2 . 1 1 516 516 LYS H H 516 7.634 7.634 8.328 -0.694 19213 1349 1 2 . 1 1 517 517 ALA N N 517 122.264 122.264 122.396 -0.132 19213 1350 1 2 . 1 1 517 517 ALA HA H 517 4.561 4.561 4.521 0.040 19213 1351 1 2 . 1 1 517 517 ALA C C 517 176.799 176.799 176.475 0.324 19213 1352 1 2 . 1 1 517 517 ALA CA C 517 51.980 51.980 52.079 -0.099 19213 1353 1 2 . 1 1 517 517 ALA CB C 517 20.779 20.779 19.884 0.895 19213 1354 1 2 . 1 1 517 517 ALA H H 517 7.552 7.552 7.328 0.224 19213 1355 1 2 . 1 1 518 518 GLY N N 518 110.102 110.102 112.137 -2.035 19213 1356 1 2 . 1 1 518 518 GLY C C 518 175.260 175.260 175.071 0.189 19213 1357 1 2 . 1 1 518 518 GLY CA C 518 46.252 46.252 44.519 1.733 19213 1358 1 2 . 1 1 518 518 GLY H H 518 8.499 8.499 8.493 0.006 19213 1359 1 2 . 1 1 519 519 LEU N N 519 120.980 120.980 120.726 0.254 19213 1360 1 2 . 1 1 519 519 LEU HA H 519 4.285 4.285 4.134 0.151 19213 1361 1 2 . 1 1 519 519 LEU C C 519 176.687 176.687 176.973 -0.286 19213 1362 1 2 . 1 1 519 519 LEU CA C 519 54.291 54.291 54.901 -0.610 19213 1363 1 2 . 1 1 519 519 LEU CB C 519 42.942 42.942 39.392 3.550 19213 1364 1 2 . 1 1 519 519 LEU H H 519 8.418 8.418 8.436 -0.018 19213 1365 1 2 . 1 1 520 520 THR N N 520 107.429 107.429 115.911 -8.482 19213 1366 1 2 . 1 1 520 520 THR HA H 520 4.420 4.420 4.256 0.164 19213 1367 1 2 . 1 1 520 520 THR CA C 520 60.231 60.231 62.112 -1.881 19213 1368 1 2 . 1 1 520 520 THR CB C 520 71.205 71.205 69.644 1.562 19213 1369 1 2 . 1 1 520 520 THR H H 520 6.149 6.149 7.893 -1.744 19213 1370 1 2 . 1 1 521 521 GLU N N 521 118.700 118.700 119.872 -1.172 19213 1371 1 2 . 1 1 521 521 GLU HA H 521 4.173 4.173 4.360 -0.187 19213 1372 1 2 . 1 1 521 521 GLU C C 521 176.567 176.567 178.631 -2.064 19213 1373 1 2 . 1 1 521 521 GLU CA C 521 57.220 57.220 57.635 -0.414 19213 1374 1 2 . 1 1 521 521 GLU CB C 521 30.353 30.353 29.578 0.776 19213 1375 1 2 . 1 1 521 521 GLU H H 521 7.290 7.290 8.741 -1.451 19213 1376 1 2 . 1 1 522 522 CYS N N 522 121.185 121.185 117.237 3.948 19213 1377 1 2 . 1 1 522 522 CYS HA H 522 4.139 4.139 4.406 -0.267 19213 1378 1 2 . 1 1 522 522 CYS C C 522 177.769 177.769 177.228 0.541 19213 1379 1 2 . 1 1 522 522 CYS CA C 522 61.379 61.379 61.120 0.259 19213 1380 1 2 . 1 1 522 522 CYS CB C 522 32.851 32.851 26.525 6.326 19213 1381 1 2 . 1 1 522 522 CYS H H 522 8.218 8.218 8.428 -0.210 19213 1382 1 2 . 1 1 523 523 HIS N N 523 117.000 117.000 121.831 -4.831 19213 1383 1 2 . 1 1 523 523 HIS HA H 523 3.796 3.796 4.125 -0.329 19213 1384 1 2 . 1 1 523 523 HIS C C 523 177.832 177.832 177.118 0.714 19213 1385 1 2 . 1 1 523 523 HIS CA C 523 59.058 59.058 60.549 -1.491 19213 1386 1 2 . 1 1 523 523 HIS CB C 523 28.841 28.841 29.721 -0.880 19213 1387 1 2 . 1 1 523 523 HIS H H 523 7.333 7.333 8.179 -0.846 19213 1388 1 2 . 1 1 524 524 LEU N N 524 117.403 117.403 117.821 -0.418 19213 1389 1 2 . 1 1 524 524 LEU HA H 524 3.792 3.792 3.673 0.119 19213 1390 1 2 . 1 1 524 524 LEU C C 524 180.184 180.184 178.669 1.515 19213 1391 1 2 . 1 1 524 524 LEU CA C 524 58.223 58.223 57.987 0.235 19213 1392 1 2 . 1 1 524 524 LEU CB C 524 41.482 41.482 41.346 0.136 19213 1393 1 2 . 1 1 524 524 LEU H H 524 8.582 8.582 8.545 0.037 19213 1394 1 2 . 1 1 525 525 ASN N N 525 118.149 118.149 115.133 3.016 19213 1395 1 2 . 1 1 525 525 ASN HA H 525 4.534 4.534 4.543 -0.009 19213 1396 1 2 . 1 1 525 525 ASN C C 525 177.023 177.023 176.301 0.722 19213 1397 1 2 . 1 1 525 525 ASN CA C 525 55.784 55.784 55.253 0.531 19213 1398 1 2 . 1 1 525 525 ASN CB C 525 38.017 38.017 38.102 -0.085 19213 1399 1 2 . 1 1 525 525 ASN H H 525 9.226 9.226 7.840 1.386 19213 1400 1 2 . 1 1 526 526 GLN N N 526 115.619 115.619 118.949 -3.330 19213 1401 1 2 . 1 1 526 526 GLN HA H 526 4.358 4.358 4.206 0.152 19213 1402 1 2 . 1 1 526 526 GLN C C 526 175.801 175.801 176.977 -1.176 19213 1403 1 2 . 1 1 526 526 GLN CA C 526 57.008 57.008 58.206 -1.198 19213 1404 1 2 . 1 1 526 526 GLN CB C 526 28.586 28.586 29.371 -0.785 19213 1405 1 2 . 1 1 526 526 GLN H H 526 7.290 7.290 7.609 -0.319 19213 1406 1 2 . 1 1 527 527 LEU N N 527 115.651 115.651 119.068 -3.417 19213 1407 1 2 . 1 1 527 527 LEU HA H 527 4.130 4.130 4.204 -0.074 19213 1408 1 2 . 1 1 527 527 LEU C C 527 178.587 178.587 178.200 0.387 19213 1409 1 2 . 1 1 527 527 LEU CA C 527 55.568 55.568 55.733 -0.165 19213 1410 1 2 . 1 1 527 527 LEU CB C 527 42.148 42.148 41.709 0.439 19213 1411 1 2 . 1 1 527 527 LEU H H 527 6.944 6.944 7.865 -0.921 19213 1412 1 2 . 1 1 528 528 ARG N N 528 121.110 121.110 120.890 0.220 19213 1413 1 2 . 1 1 528 528 ARG HA H 528 4.310 4.310 4.067 0.243 19213 1414 1 2 . 1 1 528 528 ARG CA C 528 61.278 61.278 61.953 -0.675 19213 1415 1 2 . 1 1 528 528 ARG CB C 528 28.800 28.800 27.894 0.906 19213 1416 1 2 . 1 1 528 528 ARG H H 528 8.246 8.246 7.866 0.380 19213 1417 1 2 . 1 1 529 529 PRO HA H 529 4.432 4.432 4.249 0.183 19213 1418 1 2 . 1 1 529 529 PRO C C 529 177.119 177.119 177.161 -0.042 19213 1419 1 2 . 1 1 529 529 PRO CA C 529 65.500 65.500 65.455 0.045 19213 1420 1 2 . 1 1 529 529 PRO CB C 529 31.079 31.079 30.968 0.111 19213 1421 1 2 . 1 1 530 530 LEU N N 530 113.140 113.140 115.793 -2.653 19213 1422 1 2 . 1 1 530 530 LEU HA H 530 4.186 4.186 4.452 -0.266 19213 1423 1 2 . 1 1 530 530 LEU C C 530 176.839 176.839 176.880 -0.041 19213 1424 1 2 . 1 1 530 530 LEU CA C 530 54.360 54.360 54.619 -0.259 19213 1425 1 2 . 1 1 530 530 LEU CB C 530 42.962 42.962 42.098 0.864 19213 1426 1 2 . 1 1 530 530 LEU H H 530 6.908 6.908 7.612 -0.704 19213 1427 1 2 . 1 1 531 531 LYS N N 531 114.250 114.250 116.532 -2.282 19213 1428 1 2 . 1 1 531 531 LYS HA H 531 3.881 3.881 3.960 -0.079 19213 1429 1 2 . 1 1 531 531 LYS C C 531 173.063 173.063 175.272 -2.209 19213 1430 1 2 . 1 1 531 531 LYS CA C 531 57.573 57.573 56.884 0.689 19213 1431 1 2 . 1 1 531 531 LYS CB C 531 28.802 28.802 30.420 -1.618 19213 1432 1 2 . 1 1 531 531 LYS H H 531 8.120 8.120 7.935 0.185 19213 1433 1 2 . 1 1 532 532 VAL N N 532 115.759 115.759 119.120 -3.361 19213 1434 1 2 . 1 1 532 532 VAL HA H 532 3.000 3.000 3.782 -0.782 19213 1435 1 2 . 1 1 532 532 VAL C C 532 174.337 174.337 176.220 -1.883 19213 1436 1 2 . 1 1 532 532 VAL CA C 532 64.525 64.525 63.782 0.743 19213 1437 1 2 . 1 1 532 532 VAL CB C 532 32.785 32.785 31.254 1.531 19213 1438 1 2 . 1 1 532 532 VAL H H 532 6.477 6.477 7.570 -1.093 19213 1439 1 2 . 1 1 533 533 ARG N N 533 123.594 123.594 128.706 -5.112 19213 1440 1 2 . 1 1 533 533 ARG HA H 533 4.457 4.457 4.673 -0.216 19213 1441 1 2 . 1 1 533 533 ARG C C 533 173.662 173.662 174.609 -0.947 19213 1442 1 2 . 1 1 533 533 ARG CA C 533 53.844 53.844 55.084 -1.240 19213 1443 1 2 . 1 1 533 533 ARG CB C 533 31.242 31.242 30.375 0.867 19213 1444 1 2 . 1 1 533 533 ARG H H 533 8.917 8.917 8.397 0.520 19213 1445 1 2 . 1 1 534 534 ALA N N 534 123.107 123.107 122.588 0.519 19213 1446 1 2 . 1 1 534 534 ALA HA H 534 4.663 4.663 5.143 -0.480 19213 1447 1 2 . 1 1 534 534 ALA C C 534 176.608 176.608 174.946 1.662 19213 1448 1 2 . 1 1 534 534 ALA CA C 534 51.456 51.456 51.880 -0.424 19213 1449 1 2 . 1 1 534 534 ALA CB C 534 25.134 25.134 20.907 4.227 19213 1450 1 2 . 1 1 534 534 ALA H H 534 8.338 8.338 7.752 0.586 19213 1451 1 2 . 1 1 535 535 ASN N N 535 117.841 117.841 117.105 0.736 19213 1452 1 2 . 1 1 535 535 ASN HA H 535 6.000 6.000 4.941 1.059 19213 1453 1 2 . 1 1 535 535 ASN C C 535 170.841 170.841 173.126 -2.285 19213 1454 1 2 . 1 1 535 535 ASN CA C 535 52.258 52.258 53.751 -1.493 19213 1455 1 2 . 1 1 535 535 ASN CB C 535 42.060 42.060 40.479 1.581 19213 1456 1 2 . 1 1 535 535 ASN H H 535 9.052 9.052 8.663 0.389 19213 1457 1 2 . 1 1 536 536 LEU N N 536 123.199 123.199 127.689 -4.490 19213 1458 1 2 . 1 1 536 536 LEU HA H 536 4.667 4.667 4.720 -0.053 19213 1459 1 2 . 1 1 536 536 LEU C C 536 173.345 173.345 173.676 -0.331 19213 1460 1 2 . 1 1 536 536 LEU CA C 536 54.258 54.258 53.389 0.869 19213 1461 1 2 . 1 1 536 536 LEU CB C 536 43.282 43.282 44.856 -1.575 19213 1462 1 2 . 1 1 536 536 LEU H H 536 8.163 8.163 7.522 0.641 19213 1463 1 2 . 1 1 537 537 VAL N N 537 128.390 128.390 122.613 5.777 19213 1464 1 2 . 1 1 537 537 VAL HA H 537 4.428 4.428 4.500 -0.072 19213 1465 1 2 . 1 1 537 537 VAL C C 537 174.411 174.411 174.001 0.410 19213 1466 1 2 . 1 1 537 537 VAL CA C 537 62.112 62.112 59.927 2.185 19213 1467 1 2 . 1 1 537 537 VAL CB C 537 34.747 34.747 33.146 1.601 19213 1468 1 2 . 1 1 537 537 VAL H H 537 8.881 8.881 7.726 1.155 19213 1469 1 2 . 1 1 538 538 VAL N N 538 118.758 118.758 125.202 -6.444 19213 1470 1 2 . 1 1 538 538 VAL HA H 538 5.360 5.360 4.475 0.885 19213 1471 1 2 . 1 1 538 538 VAL CA C 538 56.783 56.783 58.487 -1.704 19213 1472 1 2 . 1 1 538 538 VAL CB C 538 33.069 33.069 34.103 -1.034 19213 1473 1 2 . 1 1 538 538 VAL H H 538 8.456 8.456 8.503 -0.047 19213 1474 1 2 . 1 1 539 539 PRO HA H 539 4.832 4.832 4.652 0.180 19213 1475 1 2 . 1 1 539 539 PRO C C 539 175.835 175.835 175.789 0.046 19213 1476 1 2 . 1 1 539 539 PRO CA C 539 62.909 62.909 62.974 -0.064 19213 1477 1 2 . 1 1 539 539 PRO CB C 539 34.483 34.483 32.138 2.345 19213 1478 1 2 . 1 1 540 540 MET N N 540 116.774 116.774 123.981 -7.207 19213 1479 1 2 . 1 1 540 540 MET HA H 540 4.372 4.372 4.871 -0.499 19213 1480 1 2 . 1 1 540 540 MET C C 540 173.982 173.982 174.886 -0.904 19213 1481 1 2 . 1 1 540 540 MET CA C 540 55.763 55.763 53.705 2.058 19213 1482 1 2 . 1 1 540 540 MET CB C 540 35.394 35.394 34.351 1.043 19213 1483 1 2 . 1 1 540 540 MET H H 540 8.212 8.212 8.196 0.016 19213 1484 1 2 . 1 1 541 541 VAL N N 541 127.382 127.382 125.342 2.040 19213 1485 1 2 . 1 1 541 541 VAL HA H 541 4.851 4.851 4.867 -0.016 19213 1486 1 2 . 1 1 541 541 VAL C C 541 174.789 174.789 174.876 -0.087 19213 1487 1 2 . 1 1 541 541 VAL CA C 541 61.847 61.847 61.547 0.300 19213 1488 1 2 . 1 1 541 541 VAL CB C 541 33.092 33.092 33.313 -0.221 19213 1489 1 2 . 1 1 541 541 VAL H H 541 8.342 8.342 8.768 -0.426 19213 1490 1 2 . 1 1 542 542 ILE N N 542 126.100 126.100 127.382 -1.282 19213 1491 1 2 . 1 1 542 542 ILE HA H 542 4.225 4.225 4.343 -0.118 19213 1492 1 2 . 1 1 542 542 ILE C C 542 176.127 176.127 175.912 0.215 19213 1493 1 2 . 1 1 542 542 ILE CA C 542 60.535 60.535 59.968 0.567 19213 1494 1 2 . 1 1 542 542 ILE CB C 542 41.569 41.569 40.917 0.652 19213 1495 1 2 . 1 1 542 542 ILE H H 542 8.687 8.687 9.223 -0.536 19213 1496 1 2 . 1 1 543 543 ASP N N 543 132.060 132.060 128.541 3.519 19213 1497 1 2 . 1 1 543 543 ASP HA H 543 4.203 4.203 4.188 0.015 19213 1498 1 2 . 1 1 543 543 ASP C C 543 175.231 175.231 175.054 0.177 19213 1499 1 2 . 1 1 543 543 ASP CA C 543 55.725 55.725 55.531 0.194 19213 1500 1 2 . 1 1 543 543 ASP CB C 543 39.705 39.705 39.687 0.018 19213 1501 1 2 . 1 1 543 543 ASP H H 543 10.386 10.386 8.982 1.404 19213 1502 1 2 . 1 1 544 544 ASP N N 544 111.355 111.355 110.783 0.572 19213 1503 1 2 . 1 1 544 544 ASP HA H 544 4.109 4.109 4.224 -0.115 19213 1504 1 2 . 1 1 544 544 ASP C C 544 174.479 174.479 174.572 -0.093 19213 1505 1 2 . 1 1 544 544 ASP CA C 544 55.744 55.744 55.422 0.322 19213 1506 1 2 . 1 1 544 544 ASP CB C 544 41.048 41.048 39.278 1.770 19213 1507 1 2 . 1 1 544 544 ASP H H 544 8.812 8.812 8.676 0.136 19213 1508 1 2 . 1 1 545 545 GLN N N 545 117.226 117.226 116.919 0.307 19213 1509 1 2 . 1 1 545 545 GLN HA H 545 4.582 4.582 4.614 -0.032 19213 1510 1 2 . 1 1 545 545 GLN C C 545 174.762 174.762 174.741 0.021 19213 1511 1 2 . 1 1 545 545 GLN CA C 545 53.703 53.703 54.240 -0.537 19213 1512 1 2 . 1 1 545 545 GLN CB C 545 31.687 31.687 32.534 -0.847 19213 1513 1 2 . 1 1 545 545 GLN H H 545 7.884 7.884 8.384 -0.500 19213 1514 1 2 . 1 1 546 546 LEU N N 546 123.783 123.783 127.179 -3.396 19213 1515 1 2 . 1 1 546 546 LEU HA H 546 4.590 4.590 4.623 -0.033 19213 1516 1 2 . 1 1 546 546 LEU C C 546 174.041 174.041 176.534 -2.493 19213 1517 1 2 . 1 1 546 546 LEU CA C 546 55.029 55.029 55.510 -0.480 19213 1518 1 2 . 1 1 546 546 LEU CB C 546 42.361 42.361 41.530 0.831 19213 1519 1 2 . 1 1 546 546 LEU H H 546 9.175 9.175 8.848 0.327 19213 1520 1 2 . 1 1 547 547 PHE N N 547 132.161 132.161 126.095 6.066 19213 1521 1 2 . 1 1 547 547 PHE HA H 547 4.564 4.564 4.810 -0.246 19213 1522 1 2 . 1 1 547 547 PHE C C 547 176.063 176.063 174.720 1.343 19213 1523 1 2 . 1 1 547 547 PHE CA C 547 59.445 59.445 57.891 1.554 19213 1524 1 2 . 1 1 547 547 PHE CB C 547 41.069 41.069 40.822 0.247 19213 1525 1 2 . 1 1 547 547 PHE H H 547 8.925 8.925 8.125 0.800 19213 1526 1 2 . 1 1 548 548 GLY N N 548 103.713 103.713 104.744 -1.031 19213 1527 1 2 . 1 1 548 548 GLY C C 548 169.176 169.176 171.146 -1.970 19213 1528 1 2 . 1 1 548 548 GLY CA C 548 45.906 45.906 44.498 1.408 19213 1529 1 2 . 1 1 548 548 GLY H H 548 8.025 8.025 7.429 0.596 19213 1530 1 2 . 1 1 549 549 LEU N N 549 117.457 117.457 119.132 -1.675 19213 1531 1 2 . 1 1 549 549 LEU HA H 549 4.872 4.872 4.865 0.007 19213 1532 1 2 . 1 1 549 549 LEU C C 549 174.008 174.008 173.552 0.456 19213 1533 1 2 . 1 1 549 549 LEU CA C 549 52.697 52.697 54.868 -2.171 19213 1534 1 2 . 1 1 549 549 LEU CB C 549 44.641 44.641 46.599 -1.958 19213 1535 1 2 . 1 1 549 549 LEU H H 549 8.738 8.738 7.444 1.294 19213 1536 1 2 . 1 1 550 550 LEU N N 550 127.533 127.533 126.820 0.713 19213 1537 1 2 . 1 1 550 550 LEU HA H 550 4.920 4.920 4.585 0.335 19213 1538 1 2 . 1 1 550 550 LEU C C 550 175.162 175.162 174.401 0.761 19213 1539 1 2 . 1 1 550 550 LEU CA C 550 53.922 53.922 53.575 0.347 19213 1540 1 2 . 1 1 550 550 LEU CB C 550 42.857 42.857 44.131 -1.274 19213 1541 1 2 . 1 1 550 550 LEU H H 550 9.078 9.078 7.941 1.137 19213 1542 1 2 . 1 1 551 551 ILE N N 551 123.427 123.427 126.481 -3.054 19213 1543 1 2 . 1 1 551 551 ILE HA H 551 5.332 5.332 4.975 0.357 19213 1544 1 2 . 1 1 551 551 ILE C C 551 174.056 174.056 173.795 0.261 19213 1545 1 2 . 1 1 551 551 ILE CA C 551 59.702 59.702 58.984 0.717 19213 1546 1 2 . 1 1 551 551 ILE CB C 551 41.568 41.568 40.948 0.620 19213 1547 1 2 . 1 1 551 551 ILE H H 551 8.382 8.382 7.848 0.534 19213 1548 1 2 . 1 1 552 552 ALA N N 552 129.153 129.153 128.454 0.699 19213 1549 1 2 . 1 1 552 552 ALA HA H 552 5.130 5.130 4.305 0.825 19213 1550 1 2 . 1 1 552 552 ALA C C 552 176.892 176.892 174.770 2.122 19213 1551 1 2 . 1 1 552 552 ALA CA C 552 49.481 49.481 50.052 -0.571 19213 1552 1 2 . 1 1 552 552 ALA CB C 552 22.936 22.936 21.064 1.872 19213 1553 1 2 . 1 1 552 552 ALA H H 552 9.245 9.245 7.612 1.633 19213 1554 1 2 . 1 1 553 553 HIS N N 553 117.481 117.481 119.867 -2.386 19213 1555 1 2 . 1 1 553 553 HIS HA H 553 5.879 5.879 4.719 1.160 19213 1556 1 2 . 1 1 553 553 HIS C C 553 175.709 175.709 173.942 1.767 19213 1557 1 2 . 1 1 553 553 HIS CA C 553 52.575 52.575 54.833 -2.258 19213 1558 1 2 . 1 1 553 553 HIS CB C 553 36.391 36.391 34.023 2.368 19213 1559 1 2 . 1 1 553 553 HIS H H 553 9.584 9.584 8.407 1.177 19213 1560 1 2 . 1 1 554 554 GLN N N 554 125.534 125.534 122.913 2.621 19213 1561 1 2 . 1 1 554 554 GLN HA H 554 4.604 4.604 4.434 0.170 19213 1562 1 2 . 1 1 554 554 GLN C C 554 174.647 174.647 175.253 -0.606 19213 1563 1 2 . 1 1 554 554 GLN CA C 554 55.753 55.753 55.493 0.260 19213 1564 1 2 . 1 1 554 554 GLN CB C 554 30.350 30.350 29.363 0.987 19213 1565 1 2 . 1 1 554 554 GLN H H 554 9.240 9.240 8.887 0.353 19213 1566 1 2 . 1 1 555 555 ALA N N 555 135.281 135.281 128.783 6.498 19213 1567 1 2 . 1 1 555 555 ALA HA H 555 4.543 4.543 4.206 0.337 19213 1568 1 2 . 1 1 555 555 ALA C C 555 177.707 177.707 177.183 0.524 19213 1569 1 2 . 1 1 555 555 ALA CA C 555 53.062 53.062 53.136 -0.074 19213 1570 1 2 . 1 1 555 555 ALA CB C 555 19.238 19.238 18.052 1.186 19213 1571 1 2 . 1 1 555 555 ALA H H 555 11.446 11.446 8.552 2.894 19213 1572 1 2 . 1 1 556 556 SER N N 556 110.784 110.784 113.131 -2.347 19213 1573 1 2 . 1 1 556 556 SER HA H 556 4.190 4.190 4.558 -0.368 19213 1574 1 2 . 1 1 556 556 SER C C 556 174.538 174.538 175.000 -0.462 19213 1575 1 2 . 1 1 556 556 SER CA C 556 60.691 60.691 59.711 0.980 19213 1576 1 2 . 1 1 556 556 SER CB C 556 63.729 63.729 64.677 -0.948 19213 1577 1 2 . 1 1 556 556 SER H H 556 8.106 8.106 7.876 0.230 19213 1578 1 2 . 1 1 557 557 GLU N N 557 118.812 118.812 120.748 -1.936 19213 1579 1 2 . 1 1 557 557 GLU CA C 557 53.779 53.779 53.724 0.055 19213 1580 1 2 . 1 1 557 557 GLU CB C 557 30.585 30.585 32.453 -1.868 19213 1581 1 2 . 1 1 557 557 GLU H H 557 7.380 7.380 7.628 -0.248 19213 1582 1 2 . 1 1 558 558 PRO HA H 558 4.290 4.290 4.586 -0.296 19213 1583 1 2 . 1 1 558 558 PRO C C 558 175.238 175.238 176.079 -0.841 19213 1584 1 2 . 1 1 558 558 PRO CA C 558 62.733 62.733 63.293 -0.560 19213 1585 1 2 . 1 1 558 558 PRO CB C 558 32.892 32.892 32.217 0.675 19213 1586 1 2 . 1 1 559 559 ARG N N 559 121.705 121.705 119.576 2.129 19213 1587 1 2 . 1 1 559 559 ARG HA H 559 3.949 3.949 4.507 -0.558 19213 1588 1 2 . 1 1 559 559 ARG C C 559 171.339 171.339 173.659 -2.320 19213 1589 1 2 . 1 1 559 559 ARG CA C 559 55.522 55.522 55.105 0.417 19213 1590 1 2 . 1 1 559 559 ARG CB C 559 33.266 33.266 33.225 0.041 19213 1591 1 2 . 1 1 559 559 ARG H H 559 8.106 8.106 8.429 -0.323 19213 1592 1 2 . 1 1 560 560 GLN N N 560 125.611 125.611 123.951 1.660 19213 1593 1 2 . 1 1 560 560 GLN HA H 560 4.386 4.386 3.871 0.515 19213 1594 1 2 . 1 1 560 560 GLN C C 560 175.691 175.691 174.934 0.757 19213 1595 1 2 . 1 1 560 560 GLN CA C 560 53.655 53.655 54.401 -0.746 19213 1596 1 2 . 1 1 560 560 GLN CB C 560 27.650 27.650 29.100 -1.450 19213 1597 1 2 . 1 1 560 560 GLN H H 560 8.295 8.295 8.436 -0.141 19213 1598 1 2 . 1 1 561 561 TRP N N 561 132.619 132.619 125.827 6.792 19213 1599 1 2 . 1 1 561 561 TRP HA H 561 4.449 4.449 4.857 -0.408 19213 1600 1 2 . 1 1 561 561 TRP C C 561 176.089 176.089 176.174 -0.085 19213 1601 1 2 . 1 1 561 561 TRP CA C 561 56.370 56.370 55.728 0.641 19213 1602 1 2 . 1 1 561 561 TRP CB C 561 28.641 28.641 29.586 -0.945 19213 1603 1 2 . 1 1 561 561 TRP H H 561 7.899 7.899 6.990 0.909 19213 1604 1 2 . 1 1 562 562 GLN N N 562 124.398 124.398 123.743 0.655 19213 1605 1 2 . 1 1 562 562 GLN HA H 562 4.465 4.465 4.255 0.210 19213 1606 1 2 . 1 1 562 562 GLN C C 562 177.060 177.060 177.143 -0.083 19213 1607 1 2 . 1 1 562 562 GLN CA C 562 54.712 54.712 55.692 -0.980 19213 1608 1 2 . 1 1 562 562 GLN CB C 562 30.536 30.536 29.803 0.733 19213 1609 1 2 . 1 1 562 562 GLN H H 562 9.714 9.714 8.582 1.132 19213 1610 1 2 . 1 1 563 563 GLU N N 563 124.299 124.299 121.403 2.896 19213 1611 1 2 . 1 1 563 563 GLU HA H 563 3.913 3.913 4.042 -0.129 19213 1612 1 2 . 1 1 563 563 GLU C C 563 178.669 178.669 178.312 0.357 19213 1613 1 2 . 1 1 563 563 GLU CA C 563 61.261 61.261 59.475 1.786 19213 1614 1 2 . 1 1 563 563 GLU CB C 563 29.246 29.246 29.115 0.131 19213 1615 1 2 . 1 1 563 563 GLU H H 563 9.197 9.197 9.005 0.192 19213 1616 1 2 . 1 1 564 564 ILE N N 564 115.325 115.325 119.050 -3.725 19213 1617 1 2 . 1 1 564 564 ILE HA H 564 4.217 4.217 4.169 0.048 19213 1618 1 2 . 1 1 564 564 ILE C C 564 177.495 177.495 178.005 -0.510 19213 1619 1 2 . 1 1 564 564 ILE CA C 564 63.396 63.396 62.888 0.508 19213 1620 1 2 . 1 1 564 564 ILE CB C 564 37.815 37.815 36.603 1.212 19213 1621 1 2 . 1 1 564 564 ILE H H 564 8.482 8.482 8.257 0.225 19213 1622 1 2 . 1 1 565 565 GLU N N 565 121.151 121.151 119.857 1.294 19213 1623 1 2 . 1 1 565 565 GLU HA H 565 4.014 4.014 4.072 -0.058 19213 1624 1 2 . 1 1 565 565 GLU C C 565 178.136 178.136 179.722 -1.586 19213 1625 1 2 . 1 1 565 565 GLU CA C 565 58.734 58.734 59.501 -0.767 19213 1626 1 2 . 1 1 565 565 GLU CB C 565 29.617 29.617 29.095 0.522 19213 1627 1 2 . 1 1 565 565 GLU H H 565 6.700 6.700 7.642 -0.942 19213 1628 1 2 . 1 1 566 566 ILE N N 566 119.835 119.835 120.579 -0.744 19213 1629 1 2 . 1 1 566 566 ILE HA H 566 3.450 3.450 3.993 -0.543 19213 1630 1 2 . 1 1 566 566 ILE C C 566 178.664 178.664 177.874 0.790 19213 1631 1 2 . 1 1 566 566 ILE CA C 566 66.463 66.463 65.257 1.206 19213 1632 1 2 . 1 1 566 566 ILE CB C 566 38.360 38.360 37.742 0.618 19213 1633 1 2 . 1 1 566 566 ILE H H 566 8.122 8.122 7.658 0.464 19213 1634 1 2 . 1 1 567 567 ASP N N 567 120.402 120.402 120.835 -0.433 19213 1635 1 2 . 1 1 567 567 ASP HA H 567 4.372 4.372 4.304 0.068 19213 1636 1 2 . 1 1 567 567 ASP C C 567 179.395 179.395 179.033 0.362 19213 1637 1 2 . 1 1 567 567 ASP CA C 567 57.846 57.846 57.766 0.080 19213 1638 1 2 . 1 1 567 567 ASP CB C 567 40.610 40.610 40.035 0.575 19213 1639 1 2 . 1 1 567 567 ASP H H 567 8.503 8.503 8.064 0.439 19213 1640 1 2 . 1 1 568 568 GLN N N 568 118.044 118.044 118.971 -0.927 19213 1641 1 2 . 1 1 568 568 GLN HA H 568 4.147 4.147 3.989 0.158 19213 1642 1 2 . 1 1 568 568 GLN C C 568 179.163 179.163 178.484 0.679 19213 1643 1 2 . 1 1 568 568 GLN CA C 568 59.243 59.243 58.665 0.578 19213 1644 1 2 . 1 1 568 568 GLN CB C 568 29.668 29.668 28.614 1.054 19213 1645 1 2 . 1 1 568 568 GLN H H 568 8.273 8.273 7.814 0.459 19213 1646 1 2 . 1 1 569 569 PHE N N 569 124.363 124.363 119.962 4.401 19213 1647 1 2 . 1 1 569 569 PHE HA H 569 4.303 4.303 4.103 0.200 19213 1648 1 2 . 1 1 569 569 PHE C C 569 177.052 177.052 177.882 -0.830 19213 1649 1 2 . 1 1 569 569 PHE CA C 569 61.230 61.230 61.794 -0.564 19213 1650 1 2 . 1 1 569 569 PHE CB C 569 40.614 40.614 38.442 2.172 19213 1651 1 2 . 1 1 569 569 PHE H H 569 8.962 8.962 7.716 1.246 19213 1652 1 2 . 1 1 570 570 SER N N 570 113.474 113.474 115.470 -1.996 19213 1653 1 2 . 1 1 570 570 SER HA H 570 4.353 4.353 4.115 0.238 19213 1654 1 2 . 1 1 570 570 SER C C 570 177.332 177.332 177.135 0.197 19213 1655 1 2 . 1 1 570 570 SER CA C 570 61.727 61.727 62.450 -0.723 19213 1656 1 2 . 1 1 570 570 SER CB C 570 62.752 62.752 62.775 -0.023 19213 1657 1 2 . 1 1 570 570 SER H H 570 8.880 8.880 8.383 0.497 19213 1658 1 2 . 1 1 571 571 GLU N N 571 122.935 122.935 121.873 1.062 19213 1659 1 2 . 1 1 571 571 GLU HA H 571 4.151 4.151 4.011 0.140 19213 1660 1 2 . 1 1 571 571 GLU C C 571 178.900 178.900 179.336 -0.436 19213 1661 1 2 . 1 1 571 571 GLU CA C 571 59.404 59.404 59.268 0.136 19213 1662 1 2 . 1 1 571 571 GLU CB C 571 29.340 29.340 29.655 -0.315 19213 1663 1 2 . 1 1 571 571 GLU H H 571 8.251 8.251 7.674 0.577 19213 1664 1 2 . 1 1 572 572 LEU N N 572 123.239 123.239 121.145 2.094 19213 1665 1 2 . 1 1 572 572 LEU HA H 572 4.040 4.040 4.044 -0.004 19213 1666 1 2 . 1 1 572 572 LEU C C 572 178.222 178.222 178.601 -0.379 19213 1667 1 2 . 1 1 572 572 LEU CA C 572 58.316 58.316 58.072 0.244 19213 1668 1 2 . 1 1 572 572 LEU CB C 572 41.446 41.446 41.901 -0.455 19213 1669 1 2 . 1 1 572 572 LEU H H 572 7.811 7.811 8.417 -0.606 19213 1670 1 2 . 1 1 573 573 ALA N N 573 120.107 120.107 120.122 -0.015 19213 1671 1 2 . 1 1 573 573 ALA HA H 573 3.704 3.704 4.088 -0.384 19213 1672 1 2 . 1 1 573 573 ALA C C 573 180.552 180.552 180.000 0.552 19213 1673 1 2 . 1 1 573 573 ALA CA C 573 55.596 55.596 55.136 0.460 19213 1674 1 2 . 1 1 573 573 ALA CB C 573 19.404 19.404 18.327 1.077 19213 1675 1 2 . 1 1 573 573 ALA H H 573 7.636 7.636 8.729 -1.093 19213 1676 1 2 . 1 1 574 574 SER N N 574 116.333 116.333 114.870 1.463 19213 1677 1 2 . 1 1 574 574 SER HA H 574 4.415 4.415 4.184 0.231 19213 1678 1 2 . 1 1 574 574 SER C C 574 177.418 177.418 176.523 0.895 19213 1679 1 2 . 1 1 574 574 SER CA C 574 61.750 61.750 61.497 0.253 19213 1680 1 2 . 1 1 574 574 SER CB C 574 62.688 62.688 63.191 -0.503 19213 1681 1 2 . 1 1 574 574 SER H H 574 8.675 8.675 8.665 0.010 19213 1682 1 2 . 1 1 575 575 THR N N 575 120.659 120.659 117.841 2.818 19213 1683 1 2 . 1 1 575 575 THR HA H 575 4.001 4.001 3.966 0.035 19213 1684 1 2 . 1 1 575 575 THR C C 575 177.033 177.033 176.438 0.595 19213 1685 1 2 . 1 1 575 575 THR CA C 575 66.835 66.835 66.951 -0.116 19213 1686 1 2 . 1 1 575 575 THR CB C 575 68.384 68.384 68.255 0.129 19213 1687 1 2 . 1 1 575 575 THR H H 575 8.870 8.870 7.916 0.954 19213 1688 1 2 . 1 1 576 576 GLY N N 576 108.168 108.168 108.567 -0.399 19213 1689 1 2 . 1 1 576 576 GLY C C 576 174.221 174.221 175.446 -1.225 19213 1690 1 2 . 1 1 576 576 GLY CA C 576 47.808 47.808 46.898 0.910 19213 1691 1 2 . 1 1 576 576 GLY H H 576 8.687 8.687 7.743 0.944 19213 1692 1 2 . 1 1 577 577 SER N N 577 118.111 118.111 116.839 1.272 19213 1693 1 2 . 1 1 577 577 SER HA H 577 3.889 3.889 3.752 0.137 19213 1694 1 2 . 1 1 577 577 SER C C 577 174.830 174.830 176.492 -1.662 19213 1695 1 2 . 1 1 577 577 SER CA C 577 63.606 63.606 61.182 2.424 19213 1696 1 2 . 1 1 577 577 SER CB C 577 62.564 62.564 62.952 -0.388 19213 1697 1 2 . 1 1 577 577 SER H H 577 8.314 8.314 7.512 0.802 19213 1698 1 2 . 1 1 578 578 LEU N N 578 122.532 122.532 120.727 1.805 19213 1699 1 2 . 1 1 578 578 LEU HA H 578 3.785 3.785 3.972 -0.187 19213 1700 1 2 . 1 1 578 578 LEU C C 578 179.351 179.351 178.708 0.643 19213 1701 1 2 . 1 1 578 578 LEU CA C 578 58.109 58.109 57.350 0.759 19213 1702 1 2 . 1 1 578 578 LEU CB C 578 41.837 41.837 41.478 0.359 19213 1703 1 2 . 1 1 578 578 LEU H H 578 7.841 7.841 7.498 0.343 19213 1704 1 2 . 1 1 579 579 VAL N N 579 122.455 122.455 118.991 3.464 19213 1705 1 2 . 1 1 579 579 VAL CA C 579 59.949 59.949 66.078 -6.129 19213 1706 1 2 . 1 1 579 579 VAL CB C 579 31.167 31.167 31.542 -0.375 19213 1707 1 2 . 1 1 579 579 VAL H H 579 8.789 8.789 7.410 1.379 19213 1708 1 2 . 1 1 582 582 ARG HA H 582 3.694 3.694 4.247 -0.553 19213 1709 1 2 . 1 1 582 582 ARG C C 582 170.822 170.822 178.997 -8.175 19213 1710 1 2 . 1 1 582 582 ARG CA C 582 58.211 58.211 59.156 -0.945 19213 1711 1 2 . 1 1 582 582 ARG CB C 582 30.031 30.031 30.208 -0.177 19213 1712 1 2 . 1 1 583 583 LEU N N 583 118.579 118.579 119.409 -0.830 19213 1713 1 2 . 1 1 583 583 LEU CA C 583 58.995 58.995 57.466 1.529 19213 1714 1 2 . 1 1 583 583 LEU CB C 583 42.668 42.668 42.014 0.654 19213 1715 1 2 . 1 1 583 583 LEU H H 583 7.100 7.100 7.475 -0.375 19213 1716 1 2 . 1 1 585 585 PHE C C 585 176.850 176.850 174.578 2.272 19213 1717 1 2 . 1 1 585 585 PHE CA C 585 54.882 54.882 56.474 -1.592 19213 1718 1 2 . 1 1 585 585 PHE CB C 585 41.019 41.019 42.517 -1.498 19213 1719 1 2 . 1 1 586 586 LEU N N 586 122.944 122.944 115.963 6.981 19213 1720 1 2 . 1 1 586 586 LEU CA C 586 55.891 55.891 54.841 1.050 19213 1721 1 2 . 1 1 586 586 LEU CB C 586 42.021 42.021 40.180 1.841 19213 1722 1 2 . 1 1 586 586 LEU H H 586 8.147 8.147 8.553 -0.406 19213 1723 1 2 . 1 1 587 587 GLU HA H 587 4.213 4.213 4.204 0.009 19213 1724 1 2 . 1 1 587 587 GLU C C 587 176.917 176.917 177.168 -0.251 19213 1725 1 2 . 1 1 587 587 GLU CA C 587 57.437 57.437 58.503 -1.066 19213 1726 1 2 . 1 1 587 587 GLU CB C 587 30.047 30.047 29.699 0.348 19213 1727 1 2 . 1 1 588 588 GLN N N 588 120.604 120.604 118.363 2.241 19213 1728 1 2 . 1 1 588 588 GLN CA C 588 57.300 57.300 56.299 1.001 19213 1729 1 2 . 1 1 588 588 GLN CB C 588 30.196 30.196 28.544 1.652 19213 1730 1 2 . 1 1 588 588 GLN H H 588 8.402 8.402 8.045 0.357 19213 1731 1 2 . 1 1 589 589 THR HA H 589 4.167 4.167 4.608 -0.441 19213 1732 1 2 . 1 1 589 589 THR C C 589 174.851 174.851 175.070 -0.219 19213 1733 1 2 . 1 1 589 589 THR CA C 589 62.959 62.959 61.733 1.226 19213 1734 1 2 . 1 1 589 589 THR CB C 589 69.693 69.693 69.338 0.355 19213 1735 1 2 . 1 1 590 590 ILE N N 590 123.158 123.158 120.258 2.900 19213 1736 1 2 . 1 1 590 590 ILE CA C 590 61.524 61.524 60.910 0.614 19213 1737 1 2 . 1 1 590 590 ILE CB C 590 38.402 38.402 35.832 2.570 19213 1738 1 2 . 1 1 590 590 ILE H H 590 8.028 8.028 8.033 -0.005 19213 1739 1 2 . 1 1 591 591 ALA HA H 591 4.180 4.180 4.189 -0.009 19213 1740 1 2 . 1 1 591 591 ALA C C 591 178.457 178.457 178.775 -0.318 19213 1741 1 2 . 1 1 591 591 ALA CA C 591 53.569 53.569 53.686 -0.117 19213 1742 1 2 . 1 1 591 591 ALA CB C 591 18.733 18.733 18.709 0.024 19213 1743 1 2 . 1 1 592 592 SER N N 592 113.507 113.507 114.418 -0.911 19213 1744 1 2 . 1 1 592 592 SER HA H 592 4.290 4.290 4.261 0.029 19213 1745 1 2 . 1 1 592 592 SER C C 592 174.913 174.913 175.096 -0.183 19213 1746 1 2 . 1 1 592 592 SER CA C 592 58.992 58.992 59.779 -0.787 19213 1747 1 2 . 1 1 592 592 SER CB C 592 63.550 63.550 63.434 0.115 19213 1748 1 2 . 1 1 592 592 SER H H 592 7.946 7.946 8.203 -0.257 19213 1749 1 3 . 1 1 430 430 ALA N N 430 132.375 132.375 122.017 10.358 19213 1750 1 3 . 1 1 430 430 ALA CA C 430 51.092 51.092 52.200 -1.108 19213 1751 1 3 . 1 1 430 430 ALA CB C 430 21.474 21.474 20.938 0.536 19213 1752 1 3 . 1 1 430 430 ALA H H 430 8.772 8.772 8.926 -0.154 19213 1753 1 3 . 1 1 431 431 ALA N N 431 117.710 117.710 124.940 -7.230 19213 1754 1 3 . 1 1 431 431 ALA HA H 431 4.346 4.346 4.252 0.094 19213 1755 1 3 . 1 1 431 431 ALA C C 431 177.537 177.537 178.121 -0.584 19213 1756 1 3 . 1 1 431 431 ALA CA C 431 52.341 52.341 53.412 -1.071 19213 1757 1 3 . 1 1 431 431 ALA CB C 431 19.209 19.209 19.129 0.080 19213 1758 1 3 . 1 1 431 431 ALA H H 431 8.180 8.180 8.411 -0.231 19213 1759 1 3 . 1 1 432 432 VAL N N 432 120.378 120.378 119.824 0.554 19213 1760 1 3 . 1 1 432 432 VAL HA H 432 4.045 4.045 3.964 0.081 19213 1761 1 3 . 1 1 432 432 VAL C C 432 175.692 175.692 174.697 0.995 19213 1762 1 3 . 1 1 432 432 VAL CA C 432 62.172 62.172 63.172 -1.000 19213 1763 1 3 . 1 1 432 432 VAL CB C 432 33.029 33.029 31.997 1.032 19213 1764 1 3 . 1 1 432 432 VAL H H 432 8.191 8.191 7.805 0.386 19213 1765 1 3 . 1 1 433 433 GLN N N 433 124.398 124.398 126.602 -2.204 19213 1766 1 3 . 1 1 433 433 GLN CA C 433 54.855 54.855 53.782 1.073 19213 1767 1 3 . 1 1 433 433 GLN CB C 433 29.530 29.530 31.430 -1.900 19213 1768 1 3 . 1 1 433 433 GLN H H 433 8.525 8.525 8.383 0.142 19213 1769 1 3 . 1 1 435 435 SER HA H 435 4.074 4.074 4.185 -0.111 19213 1770 1 3 . 1 1 435 435 SER C C 435 178.865 178.865 175.128 3.737 19213 1771 1 3 . 1 1 435 435 SER CA C 435 60.402 60.402 60.279 0.123 19213 1772 1 3 . 1 1 435 435 SER CB C 435 62.858 62.858 62.849 0.009 19213 1773 1 3 . 1 1 436 436 GLU N N 436 119.935 119.935 120.376 -0.441 19213 1774 1 3 . 1 1 436 436 GLU HA H 436 4.309 4.309 4.505 -0.196 19213 1775 1 3 . 1 1 436 436 GLU C C 436 176.654 176.654 174.586 2.068 19213 1776 1 3 . 1 1 436 436 GLU CA C 436 56.095 56.095 55.322 0.774 19213 1777 1 3 . 1 1 436 436 GLU CB C 436 30.278 30.278 30.081 0.197 19213 1778 1 3 . 1 1 436 436 GLU H H 436 7.847 7.847 7.615 0.232 19213 1779 1 3 . 1 1 437 437 LEU N N 437 120.616 120.616 119.455 1.161 19213 1780 1 3 . 1 1 437 437 LEU CA C 437 55.492 55.492 54.575 0.917 19213 1781 1 3 . 1 1 437 437 LEU CB C 437 43.512 43.512 42.786 0.726 19213 1782 1 3 . 1 1 437 437 LEU H H 437 7.349 7.349 7.619 -0.270 19213 1783 1 3 . 1 1 440 440 ARG HA H 440 3.274 3.274 3.886 -0.612 19213 1784 1 3 . 1 1 440 440 ARG C C 440 175.983 175.983 177.774 -1.791 19213 1785 1 3 . 1 1 440 440 ARG CA C 440 60.018 60.018 58.836 1.182 19213 1786 1 3 . 1 1 440 440 ARG CB C 440 30.268 30.268 30.231 0.037 19213 1787 1 3 . 1 1 441 441 GLN N N 441 117.801 117.801 118.559 -0.758 19213 1788 1 3 . 1 1 441 441 GLN HA H 441 3.804 3.804 4.477 -0.673 19213 1789 1 3 . 1 1 441 441 GLN C C 441 178.030 178.030 177.746 0.284 19213 1790 1 3 . 1 1 441 441 GLN CA C 441 58.764 58.764 58.877 -0.113 19213 1791 1 3 . 1 1 441 441 GLN CB C 441 27.434 27.434 28.480 -1.046 19213 1792 1 3 . 1 1 441 441 GLN H H 441 8.079 8.079 8.651 -0.572 19213 1793 1 3 . 1 1 442 442 ALA N N 442 120.194 120.194 123.130 -2.936 19213 1794 1 3 . 1 1 442 442 ALA HA H 442 4.123 4.123 4.091 0.032 19213 1795 1 3 . 1 1 442 442 ALA C C 442 181.577 181.577 179.520 2.057 19213 1796 1 3 . 1 1 442 442 ALA CA C 442 54.940 54.940 55.187 -0.247 19213 1797 1 3 . 1 1 442 442 ALA CB C 442 18.705 18.705 18.482 0.223 19213 1798 1 3 . 1 1 442 442 ALA H H 442 7.914 7.914 7.556 0.358 19213 1799 1 3 . 1 1 443 443 ILE N N 443 120.712 120.712 116.042 4.670 19213 1800 1 3 . 1 1 443 443 ILE HA H 443 3.445 3.445 3.576 -0.131 19213 1801 1 3 . 1 1 443 443 ILE C C 443 177.663 177.663 177.878 -0.215 19213 1802 1 3 . 1 1 443 443 ILE CA C 443 65.907 65.907 64.309 1.598 19213 1803 1 3 . 1 1 443 443 ILE CB C 443 37.169 37.169 36.871 0.298 19213 1804 1 3 . 1 1 443 443 ILE H H 443 7.663 7.663 7.258 0.405 19213 1805 1 3 . 1 1 444 444 PHE N N 444 119.033 119.033 119.091 -0.058 19213 1806 1 3 . 1 1 444 444 PHE HA H 444 4.311 4.311 4.188 0.123 19213 1807 1 3 . 1 1 444 444 PHE C C 444 178.273 178.273 177.928 0.345 19213 1808 1 3 . 1 1 444 444 PHE CA C 444 58.956 58.956 61.397 -2.441 19213 1809 1 3 . 1 1 444 444 PHE CB C 444 38.154 38.154 37.872 0.282 19213 1810 1 3 . 1 1 444 444 PHE H H 444 8.077 8.077 7.386 0.691 19213 1811 1 3 . 1 1 445 445 GLU N N 445 115.469 115.469 120.291 -4.822 19213 1812 1 3 . 1 1 445 445 GLU HA H 445 4.399 4.399 4.023 0.376 19213 1813 1 3 . 1 1 445 445 GLU C C 445 179.822 179.822 179.175 0.647 19213 1814 1 3 . 1 1 445 445 GLU CA C 445 58.472 58.472 59.657 -1.185 19213 1815 1 3 . 1 1 445 445 GLU CB C 445 28.797 28.797 28.878 -0.081 19213 1816 1 3 . 1 1 445 445 GLU H H 445 8.746 8.746 8.272 0.474 19213 1817 1 3 . 1 1 446 446 THR N N 446 117.987 117.987 115.976 2.011 19213 1818 1 3 . 1 1 446 446 THR HA H 446 4.067 4.067 4.063 0.004 19213 1819 1 3 . 1 1 446 446 THR C C 446 175.802 175.802 176.711 -0.909 19213 1820 1 3 . 1 1 446 446 THR CA C 446 66.959 66.959 67.276 -0.317 19213 1821 1 3 . 1 1 446 446 THR CB C 446 68.289 68.289 68.506 -0.217 19213 1822 1 3 . 1 1 446 446 THR H H 446 8.139 8.139 7.708 0.431 19213 1823 1 3 . 1 1 447 447 LEU N N 447 122.061 122.061 121.651 0.410 19213 1824 1 3 . 1 1 447 447 LEU HA H 447 3.874 3.874 4.111 -0.237 19213 1825 1 3 . 1 1 447 447 LEU C C 447 179.377 179.377 179.164 0.213 19213 1826 1 3 . 1 1 447 447 LEU CA C 447 58.858 58.858 57.911 0.947 19213 1827 1 3 . 1 1 447 447 LEU CB C 447 42.709 42.709 41.400 1.309 19213 1828 1 3 . 1 1 447 447 LEU H H 447 8.608 8.608 7.471 1.137 19213 1829 1 3 . 1 1 448 448 VAL N N 448 108.293 108.293 117.907 -9.614 19213 1830 1 3 . 1 1 448 448 VAL HA H 448 3.973 3.973 3.751 0.222 19213 1831 1 3 . 1 1 448 448 VAL C C 448 177.414 177.414 178.115 -0.701 19213 1832 1 3 . 1 1 448 448 VAL CA C 448 64.624 64.624 64.695 -0.071 19213 1833 1 3 . 1 1 448 448 VAL CB C 448 29.895 29.895 30.050 -0.155 19213 1834 1 3 . 1 1 448 448 VAL H H 448 7.783 7.783 8.115 -0.332 19213 1835 1 3 . 1 1 449 449 ALA N N 449 124.901 124.901 123.450 1.451 19213 1836 1 3 . 1 1 449 449 ALA HA H 449 4.291 4.291 4.008 0.283 19213 1837 1 3 . 1 1 449 449 ALA C C 449 181.177 181.177 179.706 1.471 19213 1838 1 3 . 1 1 449 449 ALA CA C 449 55.144 55.144 55.539 -0.395 19213 1839 1 3 . 1 1 449 449 ALA CB C 449 18.558 18.558 18.538 0.020 19213 1840 1 3 . 1 1 449 449 ALA H H 449 7.477 7.477 8.821 -1.344 19213 1841 1 3 . 1 1 450 450 LYS N N 450 118.438 118.438 118.444 -0.006 19213 1842 1 3 . 1 1 450 450 LYS HA H 450 4.194 4.194 4.176 0.018 19213 1843 1 3 . 1 1 450 450 LYS C C 450 180.027 180.027 179.582 0.445 19213 1844 1 3 . 1 1 450 450 LYS CA C 450 58.274 58.274 58.753 -0.479 19213 1845 1 3 . 1 1 450 450 LYS CB C 450 31.673 31.673 32.380 -0.707 19213 1846 1 3 . 1 1 450 450 LYS H H 450 8.835 8.835 8.244 0.591 19213 1847 1 3 . 1 1 451 451 GLY N N 451 108.035 108.035 107.753 0.282 19213 1848 1 3 . 1 1 451 451 GLY C C 451 173.706 173.706 176.287 -2.581 19213 1849 1 3 . 1 1 451 451 GLY CA C 451 47.992 47.992 47.319 0.673 19213 1850 1 3 . 1 1 451 451 GLY H H 451 8.765 8.765 8.678 0.087 19213 1851 1 3 . 1 1 452 452 ARG N N 452 122.460 122.460 120.317 2.143 19213 1852 1 3 . 1 1 452 452 ARG HA H 452 4.080 4.080 4.277 -0.197 19213 1853 1 3 . 1 1 452 452 ARG C C 452 178.863 178.863 178.389 0.474 19213 1854 1 3 . 1 1 452 452 ARG CA C 452 60.572 60.572 58.712 1.860 19213 1855 1 3 . 1 1 452 452 ARG CB C 452 30.407 30.407 29.887 0.520 19213 1856 1 3 . 1 1 452 452 ARG H H 452 8.272 8.272 8.022 0.250 19213 1857 1 3 . 1 1 453 453 GLU N N 453 119.784 119.784 120.504 -0.720 19213 1858 1 3 . 1 1 453 453 GLU HA H 453 4.096 4.096 4.154 -0.058 19213 1859 1 3 . 1 1 453 453 GLU C C 453 178.778 178.778 178.204 0.574 19213 1860 1 3 . 1 1 453 453 GLU CA C 453 59.023 59.023 58.771 0.252 19213 1861 1 3 . 1 1 453 453 GLU CB C 453 30.241 30.241 29.912 0.329 19213 1862 1 3 . 1 1 453 453 GLU H H 453 7.894 7.894 7.778 0.116 19213 1863 1 3 . 1 1 454 454 LEU N N 454 119.313 119.313 118.398 0.915 19213 1864 1 3 . 1 1 454 454 LEU HA H 454 4.171 4.171 4.073 0.098 19213 1865 1 3 . 1 1 454 454 LEU C C 454 178.457 178.457 178.984 -0.527 19213 1866 1 3 . 1 1 454 454 LEU CA C 454 57.869 57.869 57.358 0.511 19213 1867 1 3 . 1 1 454 454 LEU CB C 454 42.922 42.922 42.359 0.563 19213 1868 1 3 . 1 1 454 454 LEU H H 454 8.328 8.328 8.402 -0.074 19213 1869 1 3 . 1 1 455 455 LEU N N 455 113.192 113.192 115.341 -2.149 19213 1870 1 3 . 1 1 455 455 LEU HA H 455 4.380 4.380 4.300 0.080 19213 1871 1 3 . 1 1 455 455 LEU C C 455 176.795 176.795 176.333 0.462 19213 1872 1 3 . 1 1 455 455 LEU CA C 455 54.643 54.643 54.430 0.213 19213 1873 1 3 . 1 1 455 455 LEU CB C 455 43.897 43.897 42.162 1.735 19213 1874 1 3 . 1 1 455 455 LEU H H 455 7.424 7.424 7.409 0.015 19213 1875 1 3 . 1 1 456 456 ALA N N 456 124.175 124.175 119.713 4.462 19213 1876 1 3 . 1 1 456 456 ALA HA H 456 4.244 4.244 4.171 0.073 19213 1877 1 3 . 1 1 456 456 ALA C C 456 177.051 177.051 176.684 0.367 19213 1878 1 3 . 1 1 456 456 ALA CA C 456 52.975 52.975 52.391 0.584 19213 1879 1 3 . 1 1 456 456 ALA CB C 456 16.514 16.514 16.318 0.196 19213 1880 1 3 . 1 1 456 456 ALA H H 456 8.573 8.573 7.208 1.365 19213 1881 1 3 . 1 1 457 457 CYS N N 457 111.282 111.282 118.846 -7.564 19213 1882 1 3 . 1 1 457 457 CYS HA H 457 5.592 5.592 4.532 1.060 19213 1883 1 3 . 1 1 457 457 CYS C C 457 172.935 172.935 175.088 -2.153 19213 1884 1 3 . 1 1 457 457 CYS CA C 457 54.876 54.876 59.108 -4.232 19213 1885 1 3 . 1 1 457 457 CYS CB C 457 29.887 29.887 30.535 -0.648 19213 1886 1 3 . 1 1 457 457 CYS H H 457 7.000 7.000 7.860 -0.860 19213 1887 1 3 . 1 1 458 458 ASP N N 458 117.373 117.373 122.803 -5.430 19213 1888 1 3 . 1 1 458 458 ASP HA H 458 4.834 4.834 4.593 0.241 19213 1889 1 3 . 1 1 458 458 ASP C C 458 175.463 175.463 175.712 -0.249 19213 1890 1 3 . 1 1 458 458 ASP CA C 458 57.972 57.972 56.562 1.410 19213 1891 1 3 . 1 1 458 458 ASP CB C 458 42.753 42.753 41.335 1.418 19213 1892 1 3 . 1 1 458 458 ASP H H 458 7.265 7.265 8.501 -1.236 19213 1893 1 3 . 1 1 459 459 ARG N N 459 117.328 117.328 118.451 -1.123 19213 1894 1 3 . 1 1 459 459 ARG HA H 459 5.511 5.511 4.764 0.747 19213 1895 1 3 . 1 1 459 459 ARG C C 459 174.652 174.652 173.864 0.788 19213 1896 1 3 . 1 1 459 459 ARG CA C 459 55.593 55.593 54.968 0.625 19213 1897 1 3 . 1 1 459 459 ARG CB C 459 35.294 35.294 33.528 1.766 19213 1898 1 3 . 1 1 459 459 ARG H H 459 8.099 8.099 7.543 0.556 19213 1899 1 3 . 1 1 460 460 VAL N N 460 127.029 127.029 120.244 6.785 19213 1900 1 3 . 1 1 460 460 VAL HA H 460 5.182 5.182 4.485 0.697 19213 1901 1 3 . 1 1 460 460 VAL C C 460 174.538 174.538 173.116 1.422 19213 1902 1 3 . 1 1 460 460 VAL CA C 460 61.684 61.684 61.012 0.672 19213 1903 1 3 . 1 1 460 460 VAL CB C 460 35.157 35.157 34.663 0.494 19213 1904 1 3 . 1 1 460 460 VAL H H 460 9.215 9.215 8.273 0.942 19213 1905 1 3 . 1 1 461 461 ILE N N 461 118.191 118.191 125.145 -6.954 19213 1906 1 3 . 1 1 461 461 ILE HA H 461 5.269 5.269 4.405 0.864 19213 1907 1 3 . 1 1 461 461 ILE C C 461 174.436 174.436 174.224 0.212 19213 1908 1 3 . 1 1 461 461 ILE CA C 461 58.897 58.897 60.193 -1.296 19213 1909 1 3 . 1 1 461 461 ILE CB C 461 41.973 41.973 40.985 0.988 19213 1910 1 3 . 1 1 461 461 ILE H H 461 9.051 9.051 8.427 0.624 19213 1911 1 3 . 1 1 462 462 VAL N N 462 119.036 119.036 124.179 -5.143 19213 1912 1 3 . 1 1 462 462 VAL HA H 462 4.218 4.218 4.382 -0.164 19213 1913 1 3 . 1 1 462 462 VAL C C 462 173.040 173.040 174.215 -1.175 19213 1914 1 3 . 1 1 462 462 VAL CA C 462 62.382 62.382 60.344 2.038 19213 1915 1 3 . 1 1 462 462 VAL CB C 462 33.016 33.016 33.802 -0.786 19213 1916 1 3 . 1 1 462 462 VAL H H 462 7.266 7.266 8.080 -0.814 19213 1917 1 3 . 1 1 463 463 TYR N N 463 131.813 131.813 122.775 9.038 19213 1918 1 3 . 1 1 463 463 TYR HA H 463 4.634 4.634 5.037 -0.403 19213 1919 1 3 . 1 1 463 463 TYR C C 463 172.062 172.062 172.933 -0.871 19213 1920 1 3 . 1 1 463 463 TYR CA C 463 54.971 54.971 54.918 0.053 19213 1921 1 3 . 1 1 463 463 TYR CB C 463 40.572 40.572 40.931 -0.359 19213 1922 1 3 . 1 1 463 463 TYR H H 463 8.796 8.796 7.307 1.489 19213 1923 1 3 . 1 1 464 464 ALA N N 464 127.309 127.309 123.624 3.685 19213 1924 1 3 . 1 1 464 464 ALA HA H 464 3.810 3.810 3.980 -0.170 19213 1925 1 3 . 1 1 464 464 ALA C C 464 176.605 176.605 175.770 0.835 19213 1926 1 3 . 1 1 464 464 ALA CA C 464 50.931 50.931 50.633 0.298 19213 1927 1 3 . 1 1 464 464 ALA CB C 464 21.945 21.945 19.815 2.130 19213 1928 1 3 . 1 1 464 464 ALA H H 464 8.423 8.423 8.098 0.325 19213 1929 1 3 . 1 1 465 465 PHE N N 465 119.567 119.567 120.046 -0.479 19213 1930 1 3 . 1 1 465 465 PHE HA H 465 4.635 4.635 4.449 0.186 19213 1931 1 3 . 1 1 465 465 PHE C C 465 176.576 176.576 175.536 1.040 19213 1932 1 3 . 1 1 465 465 PHE CA C 465 57.430 57.430 59.719 -2.289 19213 1933 1 3 . 1 1 465 465 PHE CB C 465 41.434 41.434 40.349 1.085 19213 1934 1 3 . 1 1 465 465 PHE H H 465 7.687 7.687 8.677 -0.990 19213 1935 1 3 . 1 1 466 466 ASP N N 466 120.914 120.914 122.393 -1.479 19213 1936 1 3 . 1 1 466 466 ASP HA H 466 4.699 4.699 4.783 -0.084 19213 1937 1 3 . 1 1 466 466 ASP C C 466 178.481 178.481 177.237 1.244 19213 1938 1 3 . 1 1 466 466 ASP CA C 466 51.837 51.837 52.164 -0.327 19213 1939 1 3 . 1 1 466 466 ASP CB C 466 40.950 40.950 43.469 -2.519 19213 1940 1 3 . 1 1 466 466 ASP H H 466 7.829 7.829 8.136 -0.307 19213 1941 1 3 . 1 1 467 467 ASP N N 467 115.889 115.889 119.941 -4.052 19213 1942 1 3 . 1 1 467 467 ASP HA H 467 4.018 4.018 4.644 -0.626 19213 1943 1 3 . 1 1 467 467 ASP C C 467 176.022 176.022 176.230 -0.208 19213 1944 1 3 . 1 1 467 467 ASP CA C 467 56.052 56.052 56.074 -0.022 19213 1945 1 3 . 1 1 467 467 ASP CB C 467 40.144 40.144 40.856 -0.712 19213 1946 1 3 . 1 1 467 467 ASP H H 467 8.138 8.138 8.736 -0.598 19213 1947 1 3 . 1 1 468 468 ASN N N 468 116.903 116.903 117.423 -0.520 19213 1948 1 3 . 1 1 468 468 ASN HA H 468 4.954 4.954 4.890 0.064 19213 1949 1 3 . 1 1 468 468 ASN C C 468 174.155 174.155 174.890 -0.735 19213 1950 1 3 . 1 1 468 468 ASN CA C 468 52.052 52.052 52.402 -0.350 19213 1951 1 3 . 1 1 468 468 ASN CB C 468 39.733 39.733 37.900 1.833 19213 1952 1 3 . 1 1 468 468 ASN H H 468 8.076 8.076 8.267 -0.191 19213 1953 1 3 . 1 1 469 469 TYR N N 469 112.788 112.788 114.509 -1.721 19213 1954 1 3 . 1 1 469 469 TYR HA H 469 3.249 3.249 4.144 -0.895 19213 1955 1 3 . 1 1 469 469 TYR C C 469 175.377 175.377 174.196 1.181 19213 1956 1 3 . 1 1 469 469 TYR CA C 469 61.891 61.891 59.226 2.665 19213 1957 1 3 . 1 1 469 469 TYR CB C 469 34.352 34.352 36.314 -1.962 19213 1958 1 3 . 1 1 469 469 TYR H H 469 7.785 7.785 7.770 0.015 19213 1959 1 3 . 1 1 470 470 VAL N N 470 122.718 122.718 118.237 4.481 19213 1960 1 3 . 1 1 470 470 VAL HA H 470 4.010 4.010 4.224 -0.214 19213 1961 1 3 . 1 1 470 470 VAL CA C 470 63.699 63.699 60.947 2.752 19213 1962 1 3 . 1 1 470 470 VAL CB C 470 30.721 30.721 33.452 -2.731 19213 1963 1 3 . 1 1 470 470 VAL H H 470 8.666 8.666 7.564 1.102 19213 1964 1 3 . 1 1 471 471 GLY C C 471 170.959 170.959 173.298 -2.339 19213 1965 1 3 . 1 1 471 471 GLY CA C 471 43.674 43.674 43.886 -0.212 19213 1966 1 3 . 1 1 472 472 THR N N 472 118.003 118.003 115.404 2.599 19213 1967 1 3 . 1 1 472 472 THR HA H 472 4.931 4.931 4.403 0.528 19213 1968 1 3 . 1 1 472 472 THR C C 472 174.282 174.282 173.576 0.706 19213 1969 1 3 . 1 1 472 472 THR CA C 472 61.142 61.142 62.193 -1.051 19213 1970 1 3 . 1 1 472 472 THR CB C 472 70.941 70.941 70.922 0.019 19213 1971 1 3 . 1 1 472 472 THR H H 472 8.150 8.150 7.971 0.179 19213 1972 1 3 . 1 1 473 473 VAL N N 473 126.802 126.802 129.419 -2.617 19213 1973 1 3 . 1 1 473 473 VAL HA H 473 4.552 4.552 4.130 0.422 19213 1974 1 3 . 1 1 473 473 VAL C C 473 175.472 175.472 175.865 -0.393 19213 1975 1 3 . 1 1 473 473 VAL CA C 473 62.066 62.066 63.459 -1.393 19213 1976 1 3 . 1 1 473 473 VAL CB C 473 29.572 29.572 30.388 -0.816 19213 1977 1 3 . 1 1 473 473 VAL H H 473 8.740 8.740 9.183 -0.443 19213 1978 1 3 . 1 1 474 474 VAL N N 474 122.729 122.729 128.104 -5.375 19213 1979 1 3 . 1 1 474 474 VAL HA H 474 4.394 4.394 4.103 0.291 19213 1980 1 3 . 1 1 474 474 VAL C C 474 175.653 175.653 174.480 1.173 19213 1981 1 3 . 1 1 474 474 VAL CA C 474 62.168 62.168 61.737 0.431 19213 1982 1 3 . 1 1 474 474 VAL CB C 474 32.041 32.041 32.207 -0.166 19213 1983 1 3 . 1 1 474 474 VAL H H 474 7.753 7.753 7.915 -0.162 19213 1984 1 3 . 1 1 475 475 ALA N N 475 117.768 117.768 119.932 -2.164 19213 1985 1 3 . 1 1 475 475 ALA HA H 475 4.493 4.493 4.622 -0.129 19213 1986 1 3 . 1 1 475 475 ALA C C 475 174.317 174.317 174.332 -0.015 19213 1987 1 3 . 1 1 475 475 ALA CA C 475 52.144 52.144 52.015 0.129 19213 1988 1 3 . 1 1 475 475 ALA CB C 475 23.434 23.434 21.467 1.967 19213 1989 1 3 . 1 1 475 475 ALA H H 475 7.366 7.366 7.059 0.307 19213 1990 1 3 . 1 1 476 476 GLU N N 476 122.294 122.294 122.310 -0.016 19213 1991 1 3 . 1 1 476 476 GLU HA H 476 5.143 5.143 4.719 0.424 19213 1992 1 3 . 1 1 476 476 GLU C C 476 173.452 173.452 174.503 -1.051 19213 1993 1 3 . 1 1 476 476 GLU CA C 476 55.216 55.216 55.726 -0.510 19213 1994 1 3 . 1 1 476 476 GLU CB C 476 36.288 36.288 33.374 2.914 19213 1995 1 3 . 1 1 476 476 GLU H H 476 8.455 8.455 8.584 -0.129 19213 1996 1 3 . 1 1 477 477 SER N N 477 121.014 121.014 120.526 0.488 19213 1997 1 3 . 1 1 477 477 SER HA H 477 4.910 4.910 4.934 -0.024 19213 1998 1 3 . 1 1 477 477 SER C C 477 173.417 173.417 172.351 1.066 19213 1999 1 3 . 1 1 477 477 SER CA C 477 56.576 56.576 58.139 -1.563 19213 2000 1 3 . 1 1 477 477 SER CB C 477 63.836 63.836 65.852 -2.016 19213 2001 1 3 . 1 1 477 477 SER H H 477 8.867 8.867 8.436 0.431 19213 2002 1 3 . 1 1 478 478 VAL N N 478 128.791 128.791 122.559 6.232 19213 2003 1 3 . 1 1 478 478 VAL HA H 478 5.361 5.361 4.520 0.841 19213 2004 1 3 . 1 1 478 478 VAL C C 478 172.729 172.729 175.840 -3.111 19213 2005 1 3 . 1 1 478 478 VAL CA C 478 58.657 58.657 60.504 -1.847 19213 2006 1 3 . 1 1 478 478 VAL CB C 478 35.971 35.971 35.217 0.754 19213 2007 1 3 . 1 1 478 478 VAL H H 478 9.143 9.143 8.532 0.611 19213 2008 1 3 . 1 1 479 479 ALA N N 479 129.671 129.671 128.247 1.424 19213 2009 1 3 . 1 1 479 479 ALA HA H 479 4.373 4.373 4.385 -0.012 19213 2010 1 3 . 1 1 479 479 ALA C C 479 176.732 176.732 177.493 -0.761 19213 2011 1 3 . 1 1 479 479 ALA CA C 479 52.231 52.231 52.742 -0.512 19213 2012 1 3 . 1 1 479 479 ALA CB C 479 20.053 20.053 19.661 0.392 19213 2013 1 3 . 1 1 479 479 ALA H H 479 8.632 8.632 8.446 0.186 19213 2014 1 3 . 1 1 480 480 GLU N N 480 120.434 120.434 120.497 -0.063 19213 2015 1 3 . 1 1 480 480 GLU HA H 480 4.028 4.028 4.141 -0.113 19213 2016 1 3 . 1 1 480 480 GLU C C 480 177.151 177.151 177.179 -0.028 19213 2017 1 3 . 1 1 480 480 GLU CA C 480 58.179 58.179 57.627 0.553 19213 2018 1 3 . 1 1 480 480 GLU CB C 480 29.797 29.797 29.606 0.191 19213 2019 1 3 . 1 1 480 480 GLU H H 480 8.558 8.558 8.626 -0.068 19213 2020 1 3 . 1 1 481 481 GLY N N 481 110.914 110.914 111.281 -0.367 19213 2021 1 3 . 1 1 481 481 GLY C C 481 174.073 174.073 173.942 0.131 19213 2022 1 3 . 1 1 481 481 GLY CA C 481 44.681 44.681 44.226 0.455 19213 2023 1 3 . 1 1 481 481 GLY H H 481 8.539 8.539 8.578 -0.039 19213 2024 1 3 . 1 1 482 482 TRP N N 482 119.508 119.508 122.223 -2.715 19213 2025 1 3 . 1 1 482 482 TRP HA H 482 5.290 5.290 4.994 0.296 19213 2026 1 3 . 1 1 482 482 TRP CA C 482 53.659 53.659 54.592 -0.933 19213 2027 1 3 . 1 1 482 482 TRP CB C 482 29.487 29.487 29.447 0.040 19213 2028 1 3 . 1 1 482 482 TRP H H 482 7.009 7.009 7.225 -0.216 19213 2029 1 3 . 1 1 483 483 PRO HA H 483 4.426 4.426 4.597 -0.171 19213 2030 1 3 . 1 1 483 483 PRO C C 483 175.722 175.722 175.681 0.041 19213 2031 1 3 . 1 1 483 483 PRO CA C 483 63.259 63.259 62.616 0.643 19213 2032 1 3 . 1 1 483 483 PRO CB C 483 33.238 33.238 32.452 0.786 19213 2033 1 3 . 1 1 484 484 GLN N N 484 121.488 121.488 122.781 -1.293 19213 2034 1 3 . 1 1 484 484 GLN HA H 484 4.936 4.936 4.379 0.557 19213 2035 1 3 . 1 1 484 484 GLN C C 484 176.405 176.405 175.374 1.031 19213 2036 1 3 . 1 1 484 484 GLN CA C 484 55.688 55.688 55.731 -0.043 19213 2037 1 3 . 1 1 484 484 GLN CB C 484 29.565 29.565 30.215 -0.649 19213 2038 1 3 . 1 1 484 484 GLN H H 484 8.646 8.646 8.585 0.061 19213 2039 1 3 . 1 1 485 485 ALA N N 485 133.617 133.617 125.845 7.772 19213 2040 1 3 . 1 1 485 485 ALA HA H 485 4.340 4.340 4.516 -0.176 19213 2041 1 3 . 1 1 485 485 ALA C C 485 176.317 176.317 177.053 -0.736 19213 2042 1 3 . 1 1 485 485 ALA CA C 485 51.289 51.289 52.075 -0.786 19213 2043 1 3 . 1 1 485 485 ALA CB C 485 20.581 20.581 19.917 0.664 19213 2044 1 3 . 1 1 485 485 ALA H H 485 11.964 11.964 8.399 3.565 19213 2045 1 3 . 1 1 486 486 ARG N N 486 119.720 119.720 119.626 0.094 19213 2046 1 3 . 1 1 486 486 ARG HA H 486 3.300 3.300 3.884 -0.584 19213 2047 1 3 . 1 1 486 486 ARG C C 486 175.502 175.502 175.566 -0.064 19213 2048 1 3 . 1 1 486 486 ARG CA C 486 59.200 59.200 56.589 2.611 19213 2049 1 3 . 1 1 486 486 ARG CB C 486 30.648 30.648 29.327 1.321 19213 2050 1 3 . 1 1 486 486 ARG H H 486 8.235 8.235 8.205 0.030 19213 2051 1 3 . 1 1 487 487 ASP N N 487 119.936 119.936 118.882 1.054 19213 2052 1 3 . 1 1 487 487 ASP HA H 487 4.141 4.141 4.205 -0.064 19213 2053 1 3 . 1 1 487 487 ASP C C 487 175.557 175.557 174.294 1.263 19213 2054 1 3 . 1 1 487 487 ASP CA C 487 57.148 57.148 55.822 1.326 19213 2055 1 3 . 1 1 487 487 ASP CB C 487 39.031 39.031 40.293 -1.262 19213 2056 1 3 . 1 1 487 487 ASP H H 487 9.023 9.023 8.911 0.112 19213 2057 1 3 . 1 1 488 488 GLN N N 488 119.954 119.954 117.178 2.776 19213 2058 1 3 . 1 1 488 488 GLN HA H 488 4.147 4.147 4.529 -0.382 19213 2059 1 3 . 1 1 488 488 GLN C C 488 174.993 174.993 174.745 0.248 19213 2060 1 3 . 1 1 488 488 GLN CA C 488 57.475 57.475 54.625 2.850 19213 2061 1 3 . 1 1 488 488 GLN CB C 488 28.866 28.866 31.462 -2.596 19213 2062 1 3 . 1 1 488 488 GLN H H 488 8.200 8.200 7.797 0.403 19213 2063 1 3 . 1 1 489 489 VAL N N 489 124.202 124.202 122.569 1.633 19213 2064 1 3 . 1 1 489 489 VAL HA H 489 4.593 4.593 4.091 0.502 19213 2065 1 3 . 1 1 489 489 VAL C C 489 177.060 177.060 175.086 1.974 19213 2066 1 3 . 1 1 489 489 VAL CA C 489 61.871 61.871 61.173 0.698 19213 2067 1 3 . 1 1 489 489 VAL CB C 489 32.575 32.575 32.609 -0.034 19213 2068 1 3 . 1 1 489 489 VAL H H 489 8.379 8.379 8.446 -0.067 19213 2069 1 3 . 1 1 490 490 ILE N N 490 128.772 128.772 127.977 0.795 19213 2070 1 3 . 1 1 490 490 ILE HA H 490 4.433 4.433 4.127 0.306 19213 2071 1 3 . 1 1 490 490 ILE C C 490 174.634 174.634 174.833 -0.199 19213 2072 1 3 . 1 1 490 490 ILE CA C 490 60.464 60.464 59.096 1.368 19213 2073 1 3 . 1 1 490 490 ILE CB C 490 41.025 41.025 36.390 4.635 19213 2074 1 3 . 1 1 490 490 ILE H H 490 8.952 8.952 8.468 0.484 19213 2075 1 3 . 1 1 491 491 GLU N N 491 130.867 130.867 128.214 2.653 19213 2076 1 3 . 1 1 491 491 GLU HA H 491 4.598 4.598 4.466 0.132 19213 2077 1 3 . 1 1 491 491 GLU C C 491 174.015 174.015 174.599 -0.584 19213 2078 1 3 . 1 1 491 491 GLU CA C 491 55.930 55.930 55.491 0.439 19213 2079 1 3 . 1 1 491 491 GLU CB C 491 28.942 28.942 30.733 -1.791 19213 2080 1 3 . 1 1 491 491 GLU H H 491 9.289 9.289 8.676 0.613 19213 2081 1 3 . 1 1 492 492 ASP N N 492 130.401 130.401 123.846 6.555 19213 2082 1 3 . 1 1 492 492 ASP HA H 492 5.210 5.210 4.985 0.225 19213 2083 1 3 . 1 1 492 492 ASP CA C 492 50.160 50.160 51.766 -1.606 19213 2084 1 3 . 1 1 492 492 ASP CB C 492 43.965 43.965 42.962 1.003 19213 2085 1 3 . 1 1 492 492 ASP H H 492 9.437 9.437 8.305 1.132 19213 2086 1 3 . 1 1 493 493 PRO HA H 493 4.359 4.359 4.378 -0.019 19213 2087 1 3 . 1 1 493 493 PRO C C 493 176.079 176.079 175.854 0.225 19213 2088 1 3 . 1 1 493 493 PRO CA C 493 63.617 63.617 63.042 0.575 19213 2089 1 3 . 1 1 493 493 PRO CB C 493 33.300 33.300 29.964 3.336 19213 2090 1 3 . 1 1 494 494 CYS N N 494 117.251 117.251 118.415 -1.164 19213 2091 1 3 . 1 1 494 494 CYS HA H 494 4.147 4.147 4.508 -0.361 19213 2092 1 3 . 1 1 494 494 CYS C C 494 176.789 176.789 176.575 0.214 19213 2093 1 3 . 1 1 494 494 CYS CA C 494 58.195 58.195 59.752 -1.558 19213 2094 1 3 . 1 1 494 494 CYS CB C 494 33.343 33.343 29.052 4.291 19213 2095 1 3 . 1 1 494 494 CYS H H 494 8.806 8.806 8.105 0.701 19213 2096 1 3 . 1 1 495 495 PHE N N 495 118.785 118.785 121.529 -2.744 19213 2097 1 3 . 1 1 495 495 PHE HA H 495 4.328 4.328 4.586 -0.258 19213 2098 1 3 . 1 1 495 495 PHE C C 495 176.529 176.529 177.659 -1.130 19213 2099 1 3 . 1 1 495 495 PHE CA C 495 63.265 63.265 60.022 3.243 19213 2100 1 3 . 1 1 495 495 PHE CB C 495 37.239 37.239 37.865 -0.626 19213 2101 1 3 . 1 1 495 495 PHE H H 495 6.799 6.799 8.244 -1.445 19213 2102 1 3 . 1 1 496 496 ARG N N 496 118.755 118.755 119.161 -0.406 19213 2103 1 3 . 1 1 496 496 ARG HA H 496 3.692 3.692 3.380 0.312 19213 2104 1 3 . 1 1 496 496 ARG C C 496 178.119 178.119 176.183 1.936 19213 2105 1 3 . 1 1 496 496 ARG CA C 496 58.495 58.495 58.037 0.458 19213 2106 1 3 . 1 1 496 496 ARG CB C 496 29.942 29.942 28.348 1.594 19213 2107 1 3 . 1 1 496 496 ARG H H 496 9.000 9.000 6.043 2.957 19213 2108 1 3 . 1 1 497 497 GLU N N 497 115.895 115.895 118.109 -2.214 19213 2109 1 3 . 1 1 497 497 GLU HA H 497 3.858 3.858 4.179 -0.321 19213 2110 1 3 . 1 1 497 497 GLU C C 497 177.981 177.981 177.402 0.579 19213 2111 1 3 . 1 1 497 497 GLU CA C 497 58.920 58.920 57.705 1.215 19213 2112 1 3 . 1 1 497 497 GLU CB C 497 29.841 29.841 29.904 -0.063 19213 2113 1 3 . 1 1 497 497 GLU H H 497 7.849 7.849 7.809 0.040 19213 2114 1 3 . 1 1 498 498 HIS N N 498 111.119 111.119 116.233 -5.114 19213 2115 1 3 . 1 1 498 498 HIS HA H 498 4.710 4.710 4.687 0.023 19213 2116 1 3 . 1 1 498 498 HIS CA C 498 55.904 55.904 57.671 -1.767 19213 2117 1 3 . 1 1 498 498 HIS CB C 498 30.890 30.890 30.497 0.393 19213 2118 1 3 . 1 1 498 498 HIS H H 498 7.717 7.717 7.261 0.456 19213 2119 1 3 . 1 1 499 499 TRP HA H 499 5.476 5.476 4.632 0.844 19213 2120 1 3 . 1 1 499 499 TRP C C 499 176.398 176.398 177.664 -1.266 19213 2121 1 3 . 1 1 499 499 TRP CA C 499 58.111 58.111 61.380 -3.269 19213 2122 1 3 . 1 1 499 499 TRP CB C 499 34.294 34.294 29.052 5.242 19213 2123 1 3 . 1 1 500 500 VAL N N 500 121.907 121.907 121.915 -0.008 19213 2124 1 3 . 1 1 500 500 VAL HA H 500 3.421 3.421 3.306 0.115 19213 2125 1 3 . 1 1 500 500 VAL C C 500 177.163 177.163 177.084 0.079 19213 2126 1 3 . 1 1 500 500 VAL CA C 500 68.043 68.043 66.625 1.418 19213 2127 1 3 . 1 1 500 500 VAL CB C 500 31.127 31.127 31.516 -0.389 19213 2128 1 3 . 1 1 500 500 VAL H H 500 8.071 8.071 7.685 0.386 19213 2129 1 3 . 1 1 501 501 GLU N N 501 117.634 117.634 119.254 -1.620 19213 2130 1 3 . 1 1 501 501 GLU HA H 501 4.130 4.130 3.932 0.198 19213 2131 1 3 . 1 1 501 501 GLU C C 501 178.314 178.314 178.555 -0.241 19213 2132 1 3 . 1 1 501 501 GLU CA C 501 58.781 58.781 59.249 -0.468 19213 2133 1 3 . 1 1 501 501 GLU CB C 501 28.631 28.631 28.655 -0.024 19213 2134 1 3 . 1 1 501 501 GLU H H 501 8.188 8.188 8.254 -0.066 19213 2135 1 3 . 1 1 502 502 ALA N N 502 120.830 120.830 122.402 -1.572 19213 2136 1 3 . 1 1 502 502 ALA HA H 502 4.106 4.106 4.054 0.052 19213 2137 1 3 . 1 1 502 502 ALA C C 502 181.963 181.963 180.312 1.651 19213 2138 1 3 . 1 1 502 502 ALA CA C 502 54.953 54.953 54.678 0.275 19213 2139 1 3 . 1 1 502 502 ALA CB C 502 18.558 18.558 18.151 0.407 19213 2140 1 3 . 1 1 502 502 ALA H H 502 7.996 7.996 7.793 0.203 19213 2141 1 3 . 1 1 503 503 TYR N N 503 118.238 118.238 119.075 -0.837 19213 2142 1 3 . 1 1 503 503 TYR HA H 503 4.362 4.362 4.388 -0.026 19213 2143 1 3 . 1 1 503 503 TYR C C 503 178.723 178.723 179.117 -0.394 19213 2144 1 3 . 1 1 503 503 TYR CA C 503 64.148 64.148 60.281 3.868 19213 2145 1 3 . 1 1 503 503 TYR CB C 503 39.126 39.126 38.005 1.121 19213 2146 1 3 . 1 1 503 503 TYR H H 503 8.665 8.665 8.719 -0.054 19213 2147 1 3 . 1 1 504 504 ARG N N 504 121.723 121.723 117.760 3.963 19213 2148 1 3 . 1 1 504 504 ARG HA H 504 3.905 3.905 4.068 -0.163 19213 2149 1 3 . 1 1 504 504 ARG C C 504 177.714 177.714 177.780 -0.066 19213 2150 1 3 . 1 1 504 504 ARG CA C 504 59.679 59.679 58.756 0.923 19213 2151 1 3 . 1 1 504 504 ARG CB C 504 30.495 30.495 29.296 1.200 19213 2152 1 3 . 1 1 504 504 ARG H H 504 8.824 8.824 8.064 0.760 19213 2153 1 3 . 1 1 505 505 GLN N N 505 113.473 113.473 115.616 -2.143 19213 2154 1 3 . 1 1 505 505 GLN HA H 505 4.332 4.332 4.351 -0.019 19213 2155 1 3 . 1 1 505 505 GLN C C 505 176.403 176.403 176.769 -0.366 19213 2156 1 3 . 1 1 505 505 GLN CA C 505 55.387 55.387 55.366 0.021 19213 2157 1 3 . 1 1 505 505 GLN CB C 505 28.792 28.792 28.942 -0.149 19213 2158 1 3 . 1 1 505 505 GLN H H 505 7.613 7.613 7.585 0.028 19213 2159 1 3 . 1 1 506 506 GLY N N 506 106.968 106.968 107.327 -0.359 19213 2160 1 3 . 1 1 506 506 GLY C C 506 174.133 174.133 174.007 0.126 19213 2161 1 3 . 1 1 506 506 GLY CA C 506 45.874 45.874 44.858 1.016 19213 2162 1 3 . 1 1 506 506 GLY H H 506 7.867 7.867 8.329 -0.462 19213 2163 1 3 . 1 1 507 507 ARG N N 507 123.761 123.761 120.112 3.649 19213 2164 1 3 . 1 1 507 507 ARG HA H 507 3.717 3.717 4.499 -0.782 19213 2165 1 3 . 1 1 507 507 ARG C C 507 171.000 171.000 176.082 -5.082 19213 2166 1 3 . 1 1 507 507 ARG CA C 507 58.285 58.285 55.547 2.738 19213 2167 1 3 . 1 1 507 507 ARG CB C 507 29.901 29.901 31.694 -1.793 19213 2168 1 3 . 1 1 507 507 ARG H H 507 7.858 7.858 7.740 0.118 19213 2169 1 3 . 1 1 508 508 ILE N N 508 119.641 119.641 114.979 4.662 19213 2170 1 3 . 1 1 508 508 ILE HA H 508 4.859 4.859 4.610 0.249 19213 2171 1 3 . 1 1 508 508 ILE C C 508 176.521 176.521 174.844 1.677 19213 2172 1 3 . 1 1 508 508 ILE CA C 508 59.199 59.199 59.153 0.046 19213 2173 1 3 . 1 1 508 508 ILE CB C 508 42.573 42.573 41.804 0.769 19213 2174 1 3 . 1 1 508 508 ILE H H 508 7.180 7.180 8.006 -0.826 19213 2175 1 3 . 1 1 509 509 GLN N N 509 125.871 125.871 122.587 3.284 19213 2176 1 3 . 1 1 509 509 GLN HA H 509 4.918 4.918 4.579 0.339 19213 2177 1 3 . 1 1 509 509 GLN C C 509 173.750 173.750 173.829 -0.079 19213 2178 1 3 . 1 1 509 509 GLN CA C 509 54.255 54.255 54.650 -0.395 19213 2179 1 3 . 1 1 509 509 GLN CB C 509 32.267 32.267 32.064 0.203 19213 2180 1 3 . 1 1 509 509 GLN H H 509 8.536 8.536 8.324 0.212 19213 2181 1 3 . 1 1 510 510 ALA N N 510 133.952 133.952 130.227 3.725 19213 2182 1 3 . 1 1 510 510 ALA HA H 510 4.946 4.946 5.827 -0.881 19213 2183 1 3 . 1 1 510 510 ALA C C 510 175.742 175.742 176.822 -1.080 19213 2184 1 3 . 1 1 510 510 ALA CA C 510 51.009 51.009 50.770 0.239 19213 2185 1 3 . 1 1 510 510 ALA CB C 510 21.245 21.245 21.364 -0.119 19213 2186 1 3 . 1 1 510 510 ALA H H 510 8.865 8.865 8.483 0.382 19213 2187 1 3 . 1 1 511 511 THR N N 511 121.442 121.442 121.572 -0.130 19213 2188 1 3 . 1 1 511 511 THR HA H 511 4.652 4.652 4.802 -0.150 19213 2189 1 3 . 1 1 511 511 THR C C 511 174.487 174.487 174.450 0.037 19213 2190 1 3 . 1 1 511 511 THR CA C 511 62.152 62.152 61.827 0.325 19213 2191 1 3 . 1 1 511 511 THR CB C 511 69.678 69.678 70.686 -1.008 19213 2192 1 3 . 1 1 511 511 THR H H 511 9.368 9.368 9.101 0.267 19213 2193 1 3 . 1 1 512 512 THR N N 512 126.491 126.491 119.833 6.658 19213 2194 1 3 . 1 1 512 512 THR HA H 512 4.706 4.706 3.991 0.715 19213 2195 1 3 . 1 1 512 512 THR C C 512 173.054 173.054 174.289 -1.235 19213 2196 1 3 . 1 1 512 512 THR CA C 512 63.609 63.609 66.039 -2.430 19213 2197 1 3 . 1 1 512 512 THR CB C 512 69.408 69.408 69.106 0.302 19213 2198 1 3 . 1 1 512 512 THR H H 512 8.829 8.829 8.354 0.475 19213 2199 1 3 . 1 1 513 513 ASP N N 513 113.706 113.706 119.258 -5.552 19213 2200 1 3 . 1 1 513 513 ASP HA H 513 5.022 5.022 4.970 0.052 19213 2201 1 3 . 1 1 513 513 ASP C C 513 179.097 179.097 176.819 2.278 19213 2202 1 3 . 1 1 513 513 ASP CA C 513 52.164 52.164 52.038 0.126 19213 2203 1 3 . 1 1 513 513 ASP CB C 513 42.331 42.331 40.873 1.458 19213 2204 1 3 . 1 1 513 513 ASP H H 513 7.272 7.272 7.922 -0.650 19213 2205 1 3 . 1 1 514 514 ILE N N 514 123.327 123.327 122.277 1.050 19213 2206 1 3 . 1 1 514 514 ILE HA H 514 3.636 3.636 4.024 -0.388 19213 2207 1 3 . 1 1 514 514 ILE C C 514 175.769 175.769 176.049 -0.280 19213 2208 1 3 . 1 1 514 514 ILE CA C 514 63.545 63.545 63.747 -0.202 19213 2209 1 3 . 1 1 514 514 ILE CB C 514 38.180 38.180 37.399 0.781 19213 2210 1 3 . 1 1 514 514 ILE H H 514 8.916 8.916 8.543 0.373 19213 2211 1 3 . 1 1 515 515 PHE N N 515 117.344 117.344 118.327 -0.983 19213 2212 1 3 . 1 1 515 515 PHE HA H 515 4.517 4.517 4.401 0.116 19213 2213 1 3 . 1 1 515 515 PHE C C 515 176.514 176.514 176.753 -0.239 19213 2214 1 3 . 1 1 515 515 PHE CA C 515 58.401 58.401 59.897 -1.496 19213 2215 1 3 . 1 1 515 515 PHE CB C 515 37.600 37.600 38.797 -1.196 19213 2216 1 3 . 1 1 515 515 PHE H H 515 8.154 8.154 8.034 0.120 19213 2217 1 3 . 1 1 516 516 LYS N N 516 120.351 120.351 116.817 3.534 19213 2218 1 3 . 1 1 516 516 LYS HA H 516 4.715 4.715 4.400 0.315 19213 2219 1 3 . 1 1 516 516 LYS C C 516 175.486 175.486 175.989 -0.503 19213 2220 1 3 . 1 1 516 516 LYS CA C 516 54.831 54.831 56.364 -1.533 19213 2221 1 3 . 1 1 516 516 LYS CB C 516 33.581 33.581 34.167 -0.586 19213 2222 1 3 . 1 1 516 516 LYS H H 516 7.634 7.634 8.312 -0.678 19213 2223 1 3 . 1 1 517 517 ALA N N 517 122.264 122.264 122.277 -0.013 19213 2224 1 3 . 1 1 517 517 ALA HA H 517 4.561 4.561 4.540 0.021 19213 2225 1 3 . 1 1 517 517 ALA C C 517 176.799 176.799 176.480 0.319 19213 2226 1 3 . 1 1 517 517 ALA CA C 517 51.980 51.980 51.913 0.067 19213 2227 1 3 . 1 1 517 517 ALA CB C 517 20.779 20.779 19.911 0.868 19213 2228 1 3 . 1 1 517 517 ALA H H 517 7.552 7.552 7.191 0.361 19213 2229 1 3 . 1 1 518 518 GLY N N 518 110.102 110.102 111.993 -1.891 19213 2230 1 3 . 1 1 518 518 GLY C C 518 175.260 175.260 174.990 0.270 19213 2231 1 3 . 1 1 518 518 GLY CA C 518 46.252 46.252 44.669 1.583 19213 2232 1 3 . 1 1 518 518 GLY H H 518 8.499 8.499 8.515 -0.016 19213 2233 1 3 . 1 1 519 519 LEU N N 519 120.980 120.980 120.487 0.493 19213 2234 1 3 . 1 1 519 519 LEU HA H 519 4.285 4.285 4.174 0.111 19213 2235 1 3 . 1 1 519 519 LEU C C 519 176.687 176.687 177.290 -0.603 19213 2236 1 3 . 1 1 519 519 LEU CA C 519 54.291 54.291 54.734 -0.443 19213 2237 1 3 . 1 1 519 519 LEU CB C 519 42.942 42.942 39.328 3.614 19213 2238 1 3 . 1 1 519 519 LEU H H 519 8.418 8.418 8.405 0.013 19213 2239 1 3 . 1 1 520 520 THR N N 520 107.429 107.429 113.838 -6.409 19213 2240 1 3 . 1 1 520 520 THR HA H 520 4.420 4.420 4.306 0.114 19213 2241 1 3 . 1 1 520 520 THR CA C 520 60.231 60.231 61.592 -1.361 19213 2242 1 3 . 1 1 520 520 THR CB C 520 71.205 71.205 70.593 0.613 19213 2243 1 3 . 1 1 520 520 THR H H 520 6.149 6.149 7.900 -1.751 19213 2244 1 3 . 1 1 521 521 GLU N N 521 118.700 118.700 117.612 1.088 19213 2245 1 3 . 1 1 521 521 GLU HA H 521 4.173 4.173 4.453 -0.280 19213 2246 1 3 . 1 1 521 521 GLU C C 521 176.567 176.567 178.650 -2.083 19213 2247 1 3 . 1 1 521 521 GLU CA C 521 57.220 57.220 57.869 -0.649 19213 2248 1 3 . 1 1 521 521 GLU CB C 521 30.353 30.353 29.792 0.561 19213 2249 1 3 . 1 1 521 521 GLU H H 521 7.290 7.290 8.640 -1.350 19213 2250 1 3 . 1 1 522 522 CYS N N 522 121.185 121.185 118.159 3.026 19213 2251 1 3 . 1 1 522 522 CYS HA H 522 4.139 4.139 4.497 -0.358 19213 2252 1 3 . 1 1 522 522 CYS C C 522 177.769 177.769 177.264 0.505 19213 2253 1 3 . 1 1 522 522 CYS CA C 522 61.379 61.379 60.993 0.386 19213 2254 1 3 . 1 1 522 522 CYS CB C 522 32.851 32.851 26.222 6.629 19213 2255 1 3 . 1 1 522 522 CYS H H 522 8.218 8.218 8.252 -0.034 19213 2256 1 3 . 1 1 523 523 HIS N N 523 117.000 117.000 121.869 -4.869 19213 2257 1 3 . 1 1 523 523 HIS HA H 523 3.796 3.796 4.136 -0.340 19213 2258 1 3 . 1 1 523 523 HIS C C 523 177.832 177.832 177.359 0.473 19213 2259 1 3 . 1 1 523 523 HIS CA C 523 59.058 59.058 59.844 -0.786 19213 2260 1 3 . 1 1 523 523 HIS CB C 523 28.841 28.841 29.434 -0.593 19213 2261 1 3 . 1 1 523 523 HIS H H 523 7.333 7.333 8.045 -0.712 19213 2262 1 3 . 1 1 524 524 LEU N N 524 117.403 117.403 118.053 -0.650 19213 2263 1 3 . 1 1 524 524 LEU HA H 524 3.792 3.792 3.543 0.249 19213 2264 1 3 . 1 1 524 524 LEU C C 524 180.184 180.184 178.794 1.390 19213 2265 1 3 . 1 1 524 524 LEU CA C 524 58.223 58.223 57.925 0.298 19213 2266 1 3 . 1 1 524 524 LEU CB C 524 41.482 41.482 41.217 0.265 19213 2267 1 3 . 1 1 524 524 LEU H H 524 8.582 8.582 7.782 0.800 19213 2268 1 3 . 1 1 525 525 ASN N N 525 118.149 118.149 116.193 1.956 19213 2269 1 3 . 1 1 525 525 ASN HA H 525 4.534 4.534 4.491 0.043 19213 2270 1 3 . 1 1 525 525 ASN C C 525 177.023 177.023 177.016 0.007 19213 2271 1 3 . 1 1 525 525 ASN CA C 525 55.784 55.784 55.438 0.346 19213 2272 1 3 . 1 1 525 525 ASN CB C 525 38.017 38.017 37.984 0.033 19213 2273 1 3 . 1 1 525 525 ASN H H 525 9.226 9.226 7.802 1.424 19213 2274 1 3 . 1 1 526 526 GLN N N 526 115.619 115.619 119.003 -3.384 19213 2275 1 3 . 1 1 526 526 GLN HA H 526 4.358 4.358 4.202 0.156 19213 2276 1 3 . 1 1 526 526 GLN C C 526 175.801 175.801 177.039 -1.238 19213 2277 1 3 . 1 1 526 526 GLN CA C 526 57.008 57.008 58.324 -1.316 19213 2278 1 3 . 1 1 526 526 GLN CB C 526 28.586 28.586 29.221 -0.635 19213 2279 1 3 . 1 1 526 526 GLN H H 526 7.290 7.290 7.759 -0.469 19213 2280 1 3 . 1 1 527 527 LEU N N 527 115.651 115.651 118.780 -3.129 19213 2281 1 3 . 1 1 527 527 LEU HA H 527 4.130 4.130 4.255 -0.125 19213 2282 1 3 . 1 1 527 527 LEU C C 527 178.587 178.587 178.374 0.213 19213 2283 1 3 . 1 1 527 527 LEU CA C 527 55.568 55.568 55.856 -0.288 19213 2284 1 3 . 1 1 527 527 LEU CB C 527 42.148 42.148 41.881 0.267 19213 2285 1 3 . 1 1 527 527 LEU H H 527 6.944 6.944 7.687 -0.743 19213 2286 1 3 . 1 1 528 528 ARG N N 528 121.110 121.110 120.738 0.372 19213 2287 1 3 . 1 1 528 528 ARG HA H 528 4.310 4.310 3.975 0.335 19213 2288 1 3 . 1 1 528 528 ARG CA C 528 61.278 61.278 61.890 -0.612 19213 2289 1 3 . 1 1 528 528 ARG CB C 528 28.800 28.800 27.878 0.922 19213 2290 1 3 . 1 1 528 528 ARG H H 528 8.246 8.246 8.102 0.144 19213 2291 1 3 . 1 1 529 529 PRO HA H 529 4.432 4.432 4.261 0.171 19213 2292 1 3 . 1 1 529 529 PRO C C 529 177.119 177.119 177.339 -0.220 19213 2293 1 3 . 1 1 529 529 PRO CA C 529 65.500 65.500 65.264 0.236 19213 2294 1 3 . 1 1 529 529 PRO CB C 529 31.079 31.079 31.111 -0.032 19213 2295 1 3 . 1 1 530 530 LEU N N 530 113.140 113.140 116.222 -3.082 19213 2296 1 3 . 1 1 530 530 LEU HA H 530 4.186 4.186 4.362 -0.176 19213 2297 1 3 . 1 1 530 530 LEU C C 530 176.839 176.839 176.981 -0.142 19213 2298 1 3 . 1 1 530 530 LEU CA C 530 54.360 54.360 54.853 -0.493 19213 2299 1 3 . 1 1 530 530 LEU CB C 530 42.962 42.962 42.015 0.947 19213 2300 1 3 . 1 1 530 530 LEU H H 530 6.908 6.908 7.208 -0.300 19213 2301 1 3 . 1 1 531 531 LYS N N 531 114.250 114.250 115.679 -1.429 19213 2302 1 3 . 1 1 531 531 LYS HA H 531 3.881 3.881 3.953 -0.072 19213 2303 1 3 . 1 1 531 531 LYS C C 531 173.063 173.063 175.544 -2.481 19213 2304 1 3 . 1 1 531 531 LYS CA C 531 57.573 57.573 56.775 0.798 19213 2305 1 3 . 1 1 531 531 LYS CB C 531 28.802 28.802 30.558 -1.756 19213 2306 1 3 . 1 1 531 531 LYS H H 531 8.120 8.120 7.719 0.401 19213 2307 1 3 . 1 1 532 532 VAL N N 532 115.759 115.759 119.124 -3.365 19213 2308 1 3 . 1 1 532 532 VAL HA H 532 3.000 3.000 3.794 -0.794 19213 2309 1 3 . 1 1 532 532 VAL C C 532 174.337 174.337 176.337 -2.000 19213 2310 1 3 . 1 1 532 532 VAL CA C 532 64.525 64.525 63.791 0.734 19213 2311 1 3 . 1 1 532 532 VAL CB C 532 32.785 32.785 31.318 1.467 19213 2312 1 3 . 1 1 532 532 VAL H H 532 6.477 6.477 7.376 -0.899 19213 2313 1 3 . 1 1 533 533 ARG N N 533 123.594 123.594 128.819 -5.225 19213 2314 1 3 . 1 1 533 533 ARG HA H 533 4.457 4.457 4.666 -0.209 19213 2315 1 3 . 1 1 533 533 ARG C C 533 173.662 173.662 174.527 -0.865 19213 2316 1 3 . 1 1 533 533 ARG CA C 533 53.844 53.844 55.041 -1.197 19213 2317 1 3 . 1 1 533 533 ARG CB C 533 31.242 31.242 30.455 0.787 19213 2318 1 3 . 1 1 533 533 ARG H H 533 8.917 8.917 8.559 0.358 19213 2319 1 3 . 1 1 534 534 ALA N N 534 123.107 123.107 122.576 0.531 19213 2320 1 3 . 1 1 534 534 ALA HA H 534 4.663 4.663 5.098 -0.435 19213 2321 1 3 . 1 1 534 534 ALA C C 534 176.608 176.608 174.949 1.659 19213 2322 1 3 . 1 1 534 534 ALA CA C 534 51.456 51.456 51.920 -0.464 19213 2323 1 3 . 1 1 534 534 ALA CB C 534 25.134 25.134 21.047 4.087 19213 2324 1 3 . 1 1 534 534 ALA H H 534 8.338 8.338 7.887 0.451 19213 2325 1 3 . 1 1 535 535 ASN N N 535 117.841 117.841 117.118 0.723 19213 2326 1 3 . 1 1 535 535 ASN HA H 535 6.000 6.000 4.955 1.045 19213 2327 1 3 . 1 1 535 535 ASN C C 535 170.841 170.841 173.191 -2.350 19213 2328 1 3 . 1 1 535 535 ASN CA C 535 52.258 52.258 53.727 -1.470 19213 2329 1 3 . 1 1 535 535 ASN CB C 535 42.060 42.060 40.823 1.237 19213 2330 1 3 . 1 1 535 535 ASN H H 535 9.052 9.052 8.688 0.364 19213 2331 1 3 . 1 1 536 536 LEU N N 536 123.199 123.199 127.981 -4.782 19213 2332 1 3 . 1 1 536 536 LEU HA H 536 4.667 4.667 4.834 -0.167 19213 2333 1 3 . 1 1 536 536 LEU C C 536 173.345 173.345 173.648 -0.303 19213 2334 1 3 . 1 1 536 536 LEU CA C 536 54.258 54.258 53.184 1.074 19213 2335 1 3 . 1 1 536 536 LEU CB C 536 43.282 43.282 44.851 -1.569 19213 2336 1 3 . 1 1 536 536 LEU H H 536 8.163 8.163 7.610 0.553 19213 2337 1 3 . 1 1 537 537 VAL N N 537 128.390 128.390 123.615 4.775 19213 2338 1 3 . 1 1 537 537 VAL HA H 537 4.428 4.428 4.652 -0.224 19213 2339 1 3 . 1 1 537 537 VAL C C 537 174.411 174.411 173.504 0.907 19213 2340 1 3 . 1 1 537 537 VAL CA C 537 62.112 62.112 59.343 2.769 19213 2341 1 3 . 1 1 537 537 VAL CB C 537 34.747 34.747 32.948 1.799 19213 2342 1 3 . 1 1 537 537 VAL H H 537 8.881 8.881 7.934 0.947 19213 2343 1 3 . 1 1 538 538 VAL N N 538 118.758 118.758 126.179 -7.421 19213 2344 1 3 . 1 1 538 538 VAL HA H 538 5.360 5.360 4.470 0.890 19213 2345 1 3 . 1 1 538 538 VAL CA C 538 56.783 56.783 58.364 -1.581 19213 2346 1 3 . 1 1 538 538 VAL CB C 538 33.069 33.069 33.958 -0.889 19213 2347 1 3 . 1 1 538 538 VAL H H 538 8.456 8.456 8.516 -0.060 19213 2348 1 3 . 1 1 539 539 PRO HA H 539 4.832 4.832 4.678 0.154 19213 2349 1 3 . 1 1 539 539 PRO C C 539 175.835 175.835 175.829 0.006 19213 2350 1 3 . 1 1 539 539 PRO CA C 539 62.909 62.909 62.936 -0.027 19213 2351 1 3 . 1 1 539 539 PRO CB C 539 34.483 34.483 32.175 2.308 19213 2352 1 3 . 1 1 540 540 MET N N 540 116.774 116.774 124.303 -7.529 19213 2353 1 3 . 1 1 540 540 MET HA H 540 4.372 4.372 4.889 -0.517 19213 2354 1 3 . 1 1 540 540 MET C C 540 173.982 173.982 174.648 -0.666 19213 2355 1 3 . 1 1 540 540 MET CA C 540 55.763 55.763 53.714 2.049 19213 2356 1 3 . 1 1 540 540 MET CB C 540 35.394 35.394 34.458 0.936 19213 2357 1 3 . 1 1 540 540 MET H H 540 8.212 8.212 8.230 -0.018 19213 2358 1 3 . 1 1 541 541 VAL N N 541 127.382 127.382 124.605 2.777 19213 2359 1 3 . 1 1 541 541 VAL HA H 541 4.851 4.851 4.955 -0.104 19213 2360 1 3 . 1 1 541 541 VAL C C 541 174.789 174.789 175.327 -0.538 19213 2361 1 3 . 1 1 541 541 VAL CA C 541 61.847 61.847 60.708 1.139 19213 2362 1 3 . 1 1 541 541 VAL CB C 541 33.092 33.092 32.775 0.317 19213 2363 1 3 . 1 1 541 541 VAL H H 541 8.342 8.342 8.772 -0.430 19213 2364 1 3 . 1 1 542 542 ILE N N 542 126.100 126.100 127.720 -1.620 19213 2365 1 3 . 1 1 542 542 ILE HA H 542 4.225 4.225 4.313 -0.088 19213 2366 1 3 . 1 1 542 542 ILE C C 542 176.127 176.127 175.787 0.340 19213 2367 1 3 . 1 1 542 542 ILE CA C 542 60.535 60.535 59.897 0.638 19213 2368 1 3 . 1 1 542 542 ILE CB C 542 41.569 41.569 41.009 0.560 19213 2369 1 3 . 1 1 542 542 ILE H H 542 8.687 8.687 9.253 -0.566 19213 2370 1 3 . 1 1 543 543 ASP N N 543 132.060 132.060 129.251 2.809 19213 2371 1 3 . 1 1 543 543 ASP HA H 543 4.203 4.203 4.234 -0.031 19213 2372 1 3 . 1 1 543 543 ASP C C 543 175.231 175.231 174.999 0.232 19213 2373 1 3 . 1 1 543 543 ASP CA C 543 55.725 55.725 55.649 0.076 19213 2374 1 3 . 1 1 543 543 ASP CB C 543 39.705 39.705 39.774 -0.069 19213 2375 1 3 . 1 1 543 543 ASP H H 543 10.386 10.386 9.292 1.094 19213 2376 1 3 . 1 1 544 544 ASP N N 544 111.355 111.355 111.383 -0.028 19213 2377 1 3 . 1 1 544 544 ASP HA H 544 4.109 4.109 4.217 -0.108 19213 2378 1 3 . 1 1 544 544 ASP C C 544 174.479 174.479 174.604 -0.125 19213 2379 1 3 . 1 1 544 544 ASP CA C 544 55.744 55.744 55.569 0.175 19213 2380 1 3 . 1 1 544 544 ASP CB C 544 41.048 41.048 39.516 1.532 19213 2381 1 3 . 1 1 544 544 ASP H H 544 8.812 8.812 8.716 0.096 19213 2382 1 3 . 1 1 545 545 GLN N N 545 117.226 117.226 116.552 0.674 19213 2383 1 3 . 1 1 545 545 GLN HA H 545 4.582 4.582 4.575 0.007 19213 2384 1 3 . 1 1 545 545 GLN C C 545 174.762 174.762 174.706 0.056 19213 2385 1 3 . 1 1 545 545 GLN CA C 545 53.703 53.703 54.174 -0.471 19213 2386 1 3 . 1 1 545 545 GLN CB C 545 31.687 31.687 32.523 -0.836 19213 2387 1 3 . 1 1 545 545 GLN H H 545 7.884 7.884 8.309 -0.425 19213 2388 1 3 . 1 1 546 546 LEU N N 546 123.783 123.783 127.020 -3.237 19213 2389 1 3 . 1 1 546 546 LEU HA H 546 4.590 4.590 4.415 0.175 19213 2390 1 3 . 1 1 546 546 LEU C C 546 174.041 174.041 176.303 -2.262 19213 2391 1 3 . 1 1 546 546 LEU CA C 546 55.029 55.029 55.258 -0.230 19213 2392 1 3 . 1 1 546 546 LEU CB C 546 42.361 42.361 41.276 1.085 19213 2393 1 3 . 1 1 546 546 LEU H H 546 9.175 9.175 8.794 0.381 19213 2394 1 3 . 1 1 547 547 PHE N N 547 132.161 132.161 125.557 6.604 19213 2395 1 3 . 1 1 547 547 PHE HA H 547 4.564 4.564 4.673 -0.109 19213 2396 1 3 . 1 1 547 547 PHE C C 547 176.063 176.063 174.562 1.501 19213 2397 1 3 . 1 1 547 547 PHE CA C 547 59.445 59.445 58.533 0.912 19213 2398 1 3 . 1 1 547 547 PHE CB C 547 41.069 41.069 40.847 0.222 19213 2399 1 3 . 1 1 547 547 PHE H H 547 8.925 8.925 7.921 1.004 19213 2400 1 3 . 1 1 548 548 GLY N N 548 103.713 103.713 104.053 -0.340 19213 2401 1 3 . 1 1 548 548 GLY C C 548 169.176 169.176 171.033 -1.857 19213 2402 1 3 . 1 1 548 548 GLY CA C 548 45.906 45.906 44.485 1.421 19213 2403 1 3 . 1 1 548 548 GLY H H 548 8.025 8.025 7.307 0.718 19213 2404 1 3 . 1 1 549 549 LEU N N 549 117.457 117.457 119.148 -1.691 19213 2405 1 3 . 1 1 549 549 LEU HA H 549 4.872 4.872 4.880 -0.008 19213 2406 1 3 . 1 1 549 549 LEU C C 549 174.008 174.008 173.572 0.436 19213 2407 1 3 . 1 1 549 549 LEU CA C 549 52.697 52.697 54.651 -1.954 19213 2408 1 3 . 1 1 549 549 LEU CB C 549 44.641 44.641 46.623 -1.982 19213 2409 1 3 . 1 1 549 549 LEU H H 549 8.738 8.738 7.441 1.297 19213 2410 1 3 . 1 1 550 550 LEU N N 550 127.533 127.533 126.917 0.616 19213 2411 1 3 . 1 1 550 550 LEU HA H 550 4.920 4.920 4.576 0.344 19213 2412 1 3 . 1 1 550 550 LEU C C 550 175.162 175.162 174.446 0.716 19213 2413 1 3 . 1 1 550 550 LEU CA C 550 53.922 53.922 53.611 0.311 19213 2414 1 3 . 1 1 550 550 LEU CB C 550 42.857 42.857 43.854 -0.997 19213 2415 1 3 . 1 1 550 550 LEU H H 550 9.078 9.078 7.909 1.169 19213 2416 1 3 . 1 1 551 551 ILE N N 551 123.427 123.427 126.689 -3.262 19213 2417 1 3 . 1 1 551 551 ILE HA H 551 5.332 5.332 5.018 0.314 19213 2418 1 3 . 1 1 551 551 ILE C C 551 174.056 174.056 173.862 0.194 19213 2419 1 3 . 1 1 551 551 ILE CA C 551 59.702 59.702 58.964 0.738 19213 2420 1 3 . 1 1 551 551 ILE CB C 551 41.568 41.568 40.958 0.610 19213 2421 1 3 . 1 1 551 551 ILE H H 551 8.382 8.382 7.915 0.467 19213 2422 1 3 . 1 1 552 552 ALA N N 552 129.153 129.153 128.330 0.823 19213 2423 1 3 . 1 1 552 552 ALA HA H 552 5.130 5.130 4.337 0.793 19213 2424 1 3 . 1 1 552 552 ALA C C 552 176.892 176.892 174.681 2.211 19213 2425 1 3 . 1 1 552 552 ALA CA C 552 49.481 49.481 49.981 -0.500 19213 2426 1 3 . 1 1 552 552 ALA CB C 552 22.936 22.936 21.250 1.686 19213 2427 1 3 . 1 1 552 552 ALA H H 552 9.245 9.245 7.615 1.630 19213 2428 1 3 . 1 1 553 553 HIS N N 553 117.481 117.481 119.355 -1.874 19213 2429 1 3 . 1 1 553 553 HIS HA H 553 5.879 5.879 4.728 1.151 19213 2430 1 3 . 1 1 553 553 HIS C C 553 175.709 175.709 173.935 1.774 19213 2431 1 3 . 1 1 553 553 HIS CA C 553 52.575 52.575 55.113 -2.538 19213 2432 1 3 . 1 1 553 553 HIS CB C 553 36.391 36.391 34.108 2.283 19213 2433 1 3 . 1 1 553 553 HIS H H 553 9.584 9.584 8.536 1.048 19213 2434 1 3 . 1 1 554 554 GLN N N 554 125.534 125.534 122.188 3.346 19213 2435 1 3 . 1 1 554 554 GLN HA H 554 4.604 4.604 4.455 0.149 19213 2436 1 3 . 1 1 554 554 GLN C C 554 174.647 174.647 175.757 -1.110 19213 2437 1 3 . 1 1 554 554 GLN CA C 554 55.753 55.753 55.734 0.018 19213 2438 1 3 . 1 1 554 554 GLN CB C 554 30.350 30.350 29.219 1.131 19213 2439 1 3 . 1 1 554 554 GLN H H 554 9.240 9.240 8.817 0.423 19213 2440 1 3 . 1 1 555 555 ALA N N 555 135.281 135.281 128.885 6.396 19213 2441 1 3 . 1 1 555 555 ALA HA H 555 4.543 4.543 4.359 0.184 19213 2442 1 3 . 1 1 555 555 ALA C C 555 177.707 177.707 176.700 1.007 19213 2443 1 3 . 1 1 555 555 ALA CA C 555 53.062 53.062 52.645 0.417 19213 2444 1 3 . 1 1 555 555 ALA CB C 555 19.238 19.238 18.055 1.183 19213 2445 1 3 . 1 1 555 555 ALA H H 555 11.446 11.446 8.574 2.872 19213 2446 1 3 . 1 1 556 556 SER N N 556 110.784 110.784 113.215 -2.431 19213 2447 1 3 . 1 1 556 556 SER HA H 556 4.190 4.190 4.547 -0.357 19213 2448 1 3 . 1 1 556 556 SER C C 556 174.538 174.538 174.968 -0.430 19213 2449 1 3 . 1 1 556 556 SER CA C 556 60.691 60.691 58.818 1.873 19213 2450 1 3 . 1 1 556 556 SER CB C 556 63.729 63.729 64.790 -1.061 19213 2451 1 3 . 1 1 556 556 SER H H 556 8.106 8.106 7.710 0.396 19213 2452 1 3 . 1 1 557 557 GLU N N 557 118.812 118.812 120.687 -1.875 19213 2453 1 3 . 1 1 557 557 GLU CA C 557 53.779 53.779 53.300 0.479 19213 2454 1 3 . 1 1 557 557 GLU CB C 557 30.585 30.585 31.125 -0.540 19213 2455 1 3 . 1 1 557 557 GLU H H 557 7.380 7.380 8.067 -0.687 19213 2456 1 3 . 1 1 558 558 PRO HA H 558 4.290 4.290 4.553 -0.263 19213 2457 1 3 . 1 1 558 558 PRO C C 558 175.238 175.238 176.352 -1.114 19213 2458 1 3 . 1 1 558 558 PRO CA C 558 62.733 62.733 63.161 -0.428 19213 2459 1 3 . 1 1 558 558 PRO CB C 558 32.892 32.892 32.240 0.652 19213 2460 1 3 . 1 1 559 559 ARG N N 559 121.705 121.705 119.703 2.002 19213 2461 1 3 . 1 1 559 559 ARG HA H 559 3.949 3.949 4.518 -0.569 19213 2462 1 3 . 1 1 559 559 ARG C C 559 171.339 171.339 173.643 -2.304 19213 2463 1 3 . 1 1 559 559 ARG CA C 559 55.522 55.522 55.199 0.323 19213 2464 1 3 . 1 1 559 559 ARG CB C 559 33.266 33.266 33.292 -0.026 19213 2465 1 3 . 1 1 559 559 ARG H H 559 8.106 8.106 8.439 -0.333 19213 2466 1 3 . 1 1 560 560 GLN N N 560 125.611 125.611 123.992 1.619 19213 2467 1 3 . 1 1 560 560 GLN HA H 560 4.386 4.386 3.856 0.530 19213 2468 1 3 . 1 1 560 560 GLN C C 560 175.691 175.691 174.887 0.804 19213 2469 1 3 . 1 1 560 560 GLN CA C 560 53.655 53.655 54.405 -0.750 19213 2470 1 3 . 1 1 560 560 GLN CB C 560 27.650 27.650 29.163 -1.514 19213 2471 1 3 . 1 1 560 560 GLN H H 560 8.295 8.295 8.451 -0.156 19213 2472 1 3 . 1 1 561 561 TRP N N 561 132.619 132.619 125.892 6.727 19213 2473 1 3 . 1 1 561 561 TRP HA H 561 4.449 4.449 4.848 -0.399 19213 2474 1 3 . 1 1 561 561 TRP C C 561 176.089 176.089 176.187 -0.098 19213 2475 1 3 . 1 1 561 561 TRP CA C 561 56.370 56.370 55.698 0.672 19213 2476 1 3 . 1 1 561 561 TRP CB C 561 28.641 28.641 29.500 -0.859 19213 2477 1 3 . 1 1 561 561 TRP H H 561 7.899 7.899 7.033 0.866 19213 2478 1 3 . 1 1 562 562 GLN N N 562 124.398 124.398 123.904 0.494 19213 2479 1 3 . 1 1 562 562 GLN HA H 562 4.465 4.465 4.205 0.260 19213 2480 1 3 . 1 1 562 562 GLN C C 562 177.060 177.060 177.098 -0.038 19213 2481 1 3 . 1 1 562 562 GLN CA C 562 54.712 54.712 55.817 -1.105 19213 2482 1 3 . 1 1 562 562 GLN CB C 562 30.536 30.536 29.604 0.932 19213 2483 1 3 . 1 1 562 562 GLN H H 562 9.714 9.714 8.607 1.107 19213 2484 1 3 . 1 1 563 563 GLU N N 563 124.299 124.299 120.913 3.386 19213 2485 1 3 . 1 1 563 563 GLU HA H 563 3.913 3.913 4.040 -0.127 19213 2486 1 3 . 1 1 563 563 GLU C C 563 178.669 178.669 178.541 0.128 19213 2487 1 3 . 1 1 563 563 GLU CA C 563 61.261 61.261 59.810 1.451 19213 2488 1 3 . 1 1 563 563 GLU CB C 563 29.246 29.246 29.345 -0.099 19213 2489 1 3 . 1 1 563 563 GLU H H 563 9.197 9.197 8.948 0.249 19213 2490 1 3 . 1 1 564 564 ILE N N 564 115.325 115.325 119.085 -3.760 19213 2491 1 3 . 1 1 564 564 ILE HA H 564 4.217 4.217 3.913 0.304 19213 2492 1 3 . 1 1 564 564 ILE C C 564 177.495 177.495 178.136 -0.641 19213 2493 1 3 . 1 1 564 564 ILE CA C 564 63.396 63.396 63.785 -0.389 19213 2494 1 3 . 1 1 564 564 ILE CB C 564 37.815 37.815 36.328 1.487 19213 2495 1 3 . 1 1 564 564 ILE H H 564 8.482 8.482 8.232 0.250 19213 2496 1 3 . 1 1 565 565 GLU N N 565 121.151 121.151 119.914 1.237 19213 2497 1 3 . 1 1 565 565 GLU HA H 565 4.014 4.014 4.074 -0.060 19213 2498 1 3 . 1 1 565 565 GLU C C 565 178.136 178.136 179.732 -1.596 19213 2499 1 3 . 1 1 565 565 GLU CA C 565 58.734 58.734 59.480 -0.746 19213 2500 1 3 . 1 1 565 565 GLU CB C 565 29.617 29.617 29.091 0.526 19213 2501 1 3 . 1 1 565 565 GLU H H 565 6.700 6.700 7.649 -0.949 19213 2502 1 3 . 1 1 566 566 ILE N N 566 119.835 119.835 120.420 -0.585 19213 2503 1 3 . 1 1 566 566 ILE HA H 566 3.450 3.450 4.002 -0.552 19213 2504 1 3 . 1 1 566 566 ILE C C 566 178.664 178.664 177.851 0.813 19213 2505 1 3 . 1 1 566 566 ILE CA C 566 66.463 66.463 65.291 1.172 19213 2506 1 3 . 1 1 566 566 ILE CB C 566 38.360 38.360 37.772 0.588 19213 2507 1 3 . 1 1 566 566 ILE H H 566 8.122 8.122 7.689 0.433 19213 2508 1 3 . 1 1 567 567 ASP N N 567 120.402 120.402 120.838 -0.436 19213 2509 1 3 . 1 1 567 567 ASP HA H 567 4.372 4.372 4.300 0.072 19213 2510 1 3 . 1 1 567 567 ASP C C 567 179.395 179.395 178.623 0.772 19213 2511 1 3 . 1 1 567 567 ASP CA C 567 57.846 57.846 57.508 0.338 19213 2512 1 3 . 1 1 567 567 ASP CB C 567 40.610 40.610 40.571 0.039 19213 2513 1 3 . 1 1 567 567 ASP H H 567 8.503 8.503 8.005 0.498 19213 2514 1 3 . 1 1 568 568 GLN N N 568 118.044 118.044 118.531 -0.487 19213 2515 1 3 . 1 1 568 568 GLN HA H 568 4.147 4.147 3.977 0.170 19213 2516 1 3 . 1 1 568 568 GLN C C 568 179.163 179.163 178.707 0.456 19213 2517 1 3 . 1 1 568 568 GLN CA C 568 59.243 59.243 58.705 0.538 19213 2518 1 3 . 1 1 568 568 GLN CB C 568 29.668 29.668 28.598 1.070 19213 2519 1 3 . 1 1 568 568 GLN H H 568 8.273 8.273 7.831 0.442 19213 2520 1 3 . 1 1 569 569 PHE N N 569 124.363 124.363 120.054 4.309 19213 2521 1 3 . 1 1 569 569 PHE HA H 569 4.303 4.303 4.104 0.199 19213 2522 1 3 . 1 1 569 569 PHE C C 569 177.052 177.052 177.935 -0.883 19213 2523 1 3 . 1 1 569 569 PHE CA C 569 61.230 61.230 61.852 -0.622 19213 2524 1 3 . 1 1 569 569 PHE CB C 569 40.614 40.614 38.476 2.138 19213 2525 1 3 . 1 1 569 569 PHE H H 569 8.962 8.962 7.761 1.201 19213 2526 1 3 . 1 1 570 570 SER N N 570 113.474 113.474 115.594 -2.120 19213 2527 1 3 . 1 1 570 570 SER HA H 570 4.353 4.353 4.180 0.173 19213 2528 1 3 . 1 1 570 570 SER C C 570 177.332 177.332 177.005 0.327 19213 2529 1 3 . 1 1 570 570 SER CA C 570 61.727 61.727 62.080 -0.353 19213 2530 1 3 . 1 1 570 570 SER CB C 570 62.752 62.752 62.418 0.334 19213 2531 1 3 . 1 1 570 570 SER H H 570 8.880 8.880 8.334 0.546 19213 2532 1 3 . 1 1 571 571 GLU N N 571 122.935 122.935 122.173 0.762 19213 2533 1 3 . 1 1 571 571 GLU HA H 571 4.151 4.151 4.130 0.021 19213 2534 1 3 . 1 1 571 571 GLU C C 571 178.900 178.900 179.392 -0.492 19213 2535 1 3 . 1 1 571 571 GLU CA C 571 59.404 59.404 58.772 0.632 19213 2536 1 3 . 1 1 571 571 GLU CB C 571 29.340 29.340 29.423 -0.083 19213 2537 1 3 . 1 1 571 571 GLU H H 571 8.251 8.251 7.711 0.540 19213 2538 1 3 . 1 1 572 572 LEU N N 572 123.239 123.239 121.446 1.793 19213 2539 1 3 . 1 1 572 572 LEU HA H 572 4.040 4.040 4.053 -0.013 19213 2540 1 3 . 1 1 572 572 LEU C C 572 178.222 178.222 178.741 -0.519 19213 2541 1 3 . 1 1 572 572 LEU CA C 572 58.316 58.316 57.848 0.468 19213 2542 1 3 . 1 1 572 572 LEU CB C 572 41.446 41.446 41.680 -0.234 19213 2543 1 3 . 1 1 572 572 LEU H H 572 7.811 7.811 8.429 -0.618 19213 2544 1 3 . 1 1 573 573 ALA N N 573 120.107 120.107 119.875 0.232 19213 2545 1 3 . 1 1 573 573 ALA HA H 573 3.704 3.704 4.048 -0.344 19213 2546 1 3 . 1 1 573 573 ALA C C 573 180.552 180.552 179.626 0.926 19213 2547 1 3 . 1 1 573 573 ALA CA C 573 55.596 55.596 55.322 0.274 19213 2548 1 3 . 1 1 573 573 ALA CB C 573 19.404 19.404 18.376 1.028 19213 2549 1 3 . 1 1 573 573 ALA H H 573 7.636 7.636 8.689 -1.053 19213 2550 1 3 . 1 1 574 574 SER N N 574 116.333 116.333 113.697 2.636 19213 2551 1 3 . 1 1 574 574 SER HA H 574 4.415 4.415 4.145 0.270 19213 2552 1 3 . 1 1 574 574 SER C C 574 177.418 177.418 176.735 0.683 19213 2553 1 3 . 1 1 574 574 SER CA C 574 61.750 61.750 61.181 0.569 19213 2554 1 3 . 1 1 574 574 SER CB C 574 62.688 62.688 63.024 -0.336 19213 2555 1 3 . 1 1 574 574 SER H H 574 8.675 8.675 8.554 0.121 19213 2556 1 3 . 1 1 575 575 THR N N 575 120.659 120.659 118.802 1.857 19213 2557 1 3 . 1 1 575 575 THR HA H 575 4.001 4.001 3.906 0.095 19213 2558 1 3 . 1 1 575 575 THR C C 575 177.033 177.033 176.783 0.250 19213 2559 1 3 . 1 1 575 575 THR CA C 575 66.835 66.835 66.712 0.123 19213 2560 1 3 . 1 1 575 575 THR CB C 575 68.384 68.384 68.450 -0.066 19213 2561 1 3 . 1 1 575 575 THR H H 575 8.870 8.870 7.784 1.086 19213 2562 1 3 . 1 1 576 576 GLY N N 576 108.168 108.168 109.159 -0.991 19213 2563 1 3 . 1 1 576 576 GLY C C 576 174.221 174.221 175.676 -1.455 19213 2564 1 3 . 1 1 576 576 GLY CA C 576 47.808 47.808 46.871 0.937 19213 2565 1 3 . 1 1 576 576 GLY H H 576 8.687 8.687 7.728 0.959 19213 2566 1 3 . 1 1 577 577 SER N N 577 118.111 118.111 117.720 0.391 19213 2567 1 3 . 1 1 577 577 SER HA H 577 3.889 3.889 3.764 0.125 19213 2568 1 3 . 1 1 577 577 SER C C 577 174.830 174.830 176.578 -1.748 19213 2569 1 3 . 1 1 577 577 SER CA C 577 63.606 63.606 61.486 2.120 19213 2570 1 3 . 1 1 577 577 SER CB C 577 62.564 62.564 62.897 -0.333 19213 2571 1 3 . 1 1 577 577 SER H H 577 8.314 8.314 7.477 0.837 19213 2572 1 3 . 1 1 578 578 LEU N N 578 122.532 122.532 119.393 3.139 19213 2573 1 3 . 1 1 578 578 LEU HA H 578 3.785 3.785 4.056 -0.271 19213 2574 1 3 . 1 1 578 578 LEU C C 578 179.351 179.351 178.648 0.703 19213 2575 1 3 . 1 1 578 578 LEU CA C 578 58.109 58.109 57.788 0.321 19213 2576 1 3 . 1 1 578 578 LEU CB C 578 41.837 41.837 41.228 0.609 19213 2577 1 3 . 1 1 578 578 LEU H H 578 7.841 7.841 7.328 0.513 19213 2578 1 3 . 1 1 579 579 VAL N N 579 122.455 122.455 115.534 6.921 19213 2579 1 3 . 1 1 579 579 VAL CA C 579 59.949 59.949 64.641 -4.692 19213 2580 1 3 . 1 1 579 579 VAL CB C 579 31.167 31.167 30.922 0.245 19213 2581 1 3 . 1 1 579 579 VAL H H 579 8.789 8.789 7.234 1.555 19213 2582 1 3 . 1 1 582 582 ARG HA H 582 3.694 3.694 4.350 -0.656 19213 2583 1 3 . 1 1 582 582 ARG C C 582 170.822 170.822 179.472 -8.650 19213 2584 1 3 . 1 1 582 582 ARG CA C 582 58.211 58.211 58.752 -0.541 19213 2585 1 3 . 1 1 582 582 ARG CB C 582 30.031 30.031 30.490 -0.459 19213 2586 1 3 . 1 1 583 583 LEU N N 583 118.579 118.579 120.389 -1.810 19213 2587 1 3 . 1 1 583 583 LEU CA C 583 58.995 58.995 56.058 2.937 19213 2588 1 3 . 1 1 583 583 LEU CB C 583 42.668 42.668 41.904 0.764 19213 2589 1 3 . 1 1 583 583 LEU H H 583 7.100 7.100 8.459 -1.359 19213 2590 1 3 . 1 1 585 585 PHE C C 585 176.850 176.850 175.399 1.451 19213 2591 1 3 . 1 1 585 585 PHE CA C 585 54.882 54.882 57.154 -2.272 19213 2592 1 3 . 1 1 585 585 PHE CB C 585 41.019 41.019 40.052 0.967 19213 2593 1 3 . 1 1 586 586 LEU N N 586 122.944 122.944 124.717 -1.773 19213 2594 1 3 . 1 1 586 586 LEU CA C 586 55.891 55.891 54.775 1.116 19213 2595 1 3 . 1 1 586 586 LEU CB C 586 42.021 42.021 41.820 0.201 19213 2596 1 3 . 1 1 586 586 LEU H H 586 8.147 8.147 8.568 -0.421 19213 2597 1 3 . 1 1 587 587 GLU HA H 587 4.213 4.213 4.202 0.011 19213 2598 1 3 . 1 1 587 587 GLU C C 587 176.917 176.917 175.844 1.073 19213 2599 1 3 . 1 1 587 587 GLU CA C 587 57.437 57.437 56.828 0.609 19213 2600 1 3 . 1 1 587 587 GLU CB C 587 30.047 30.047 30.110 -0.063 19213 2601 1 3 . 1 1 588 588 GLN N N 588 120.604 120.604 115.274 5.330 19213 2602 1 3 . 1 1 588 588 GLN CA C 588 57.300 57.300 55.941 1.359 19213 2603 1 3 . 1 1 588 588 GLN CB C 588 30.196 30.196 28.938 1.258 19213 2604 1 3 . 1 1 588 588 GLN H H 588 8.402 8.402 7.944 0.458 19213 2605 1 3 . 1 1 589 589 THR HA H 589 4.167 4.167 4.070 0.097 19213 2606 1 3 . 1 1 589 589 THR C C 589 174.851 174.851 176.228 -1.377 19213 2607 1 3 . 1 1 589 589 THR CA C 589 62.959 62.959 65.300 -2.341 19213 2608 1 3 . 1 1 589 589 THR CB C 589 69.693 69.693 68.777 0.916 19213 2609 1 3 . 1 1 590 590 ILE N N 590 123.158 123.158 116.892 6.266 19213 2610 1 3 . 1 1 590 590 ILE CA C 590 61.524 61.524 59.412 2.112 19213 2611 1 3 . 1 1 590 590 ILE CB C 590 38.402 38.402 35.824 2.578 19213 2612 1 3 . 1 1 590 590 ILE H H 590 8.028 8.028 7.829 0.199 19213 2613 1 3 . 1 1 591 591 ALA HA H 591 4.180 4.180 4.198 -0.018 19213 2614 1 3 . 1 1 591 591 ALA C C 591 178.457 178.457 178.242 0.215 19213 2615 1 3 . 1 1 591 591 ALA CA C 591 53.569 53.569 54.045 -0.476 19213 2616 1 3 . 1 1 591 591 ALA CB C 591 18.733 18.733 18.949 -0.216 19213 2617 1 3 . 1 1 592 592 SER N N 592 113.507 113.507 113.728 -0.221 19213 2618 1 3 . 1 1 592 592 SER HA H 592 4.290 4.290 4.243 0.047 19213 2619 1 3 . 1 1 592 592 SER C C 592 174.913 174.913 174.573 0.340 19213 2620 1 3 . 1 1 592 592 SER CA C 592 58.992 58.992 59.592 -0.600 19213 2621 1 3 . 1 1 592 592 SER CB C 592 63.550 63.550 63.475 0.075 19213 2622 1 3 . 1 1 592 592 SER H H 592 7.946 7.946 8.294 -0.348 19213 2623 1 4 . 1 1 430 430 ALA N N 430 132.375 132.375 123.882 8.493 19213 2624 1 4 . 1 1 430 430 ALA CA C 430 51.092 51.092 51.941 -0.849 19213 2625 1 4 . 1 1 430 430 ALA CB C 430 21.474 21.474 19.623 1.851 19213 2626 1 4 . 1 1 430 430 ALA H H 430 8.772 8.772 8.727 0.045 19213 2627 1 4 . 1 1 431 431 ALA N N 431 117.710 117.710 122.337 -4.627 19213 2628 1 4 . 1 1 431 431 ALA HA H 431 4.346 4.346 4.034 0.312 19213 2629 1 4 . 1 1 431 431 ALA C C 431 177.537 177.537 177.676 -0.139 19213 2630 1 4 . 1 1 431 431 ALA CA C 431 52.341 52.341 54.074 -1.733 19213 2631 1 4 . 1 1 431 431 ALA CB C 431 19.209 19.209 17.792 1.417 19213 2632 1 4 . 1 1 431 431 ALA H H 431 8.180 8.180 8.063 0.117 19213 2633 1 4 . 1 1 432 432 VAL N N 432 120.378 120.378 121.605 -1.227 19213 2634 1 4 . 1 1 432 432 VAL HA H 432 4.045 4.045 4.127 -0.082 19213 2635 1 4 . 1 1 432 432 VAL C C 432 175.692 175.692 175.960 -0.268 19213 2636 1 4 . 1 1 432 432 VAL CA C 432 62.172 62.172 61.914 0.258 19213 2637 1 4 . 1 1 432 432 VAL CB C 432 33.029 33.029 32.417 0.612 19213 2638 1 4 . 1 1 432 432 VAL H H 432 8.191 8.191 7.935 0.256 19213 2639 1 4 . 1 1 433 433 GLN N N 433 124.398 124.398 122.696 1.702 19213 2640 1 4 . 1 1 433 433 GLN CA C 433 54.855 54.855 56.102 -1.247 19213 2641 1 4 . 1 1 433 433 GLN CB C 433 29.530 29.530 29.297 0.233 19213 2642 1 4 . 1 1 433 433 GLN H H 433 8.525 8.525 8.390 0.135 19213 2643 1 4 . 1 1 435 435 SER HA H 435 4.074 4.074 4.085 -0.011 19213 2644 1 4 . 1 1 435 435 SER C C 435 178.865 178.865 175.635 3.230 19213 2645 1 4 . 1 1 435 435 SER CA C 435 60.402 60.402 60.465 -0.063 19213 2646 1 4 . 1 1 435 435 SER CB C 435 62.858 62.858 62.382 0.476 19213 2647 1 4 . 1 1 436 436 GLU N N 436 119.935 119.935 120.099 -0.164 19213 2648 1 4 . 1 1 436 436 GLU HA H 436 4.309 4.309 4.113 0.196 19213 2649 1 4 . 1 1 436 436 GLU C C 436 176.654 176.654 177.024 -0.370 19213 2650 1 4 . 1 1 436 436 GLU CA C 436 56.095 56.095 57.361 -1.266 19213 2651 1 4 . 1 1 436 436 GLU CB C 436 30.278 30.278 29.649 0.629 19213 2652 1 4 . 1 1 436 436 GLU H H 436 7.847 7.847 7.512 0.335 19213 2653 1 4 . 1 1 437 437 LEU N N 437 120.616 120.616 120.787 -0.171 19213 2654 1 4 . 1 1 437 437 LEU CA C 437 55.492 55.492 54.658 0.834 19213 2655 1 4 . 1 1 437 437 LEU CB C 437 43.512 43.512 42.219 1.293 19213 2656 1 4 . 1 1 437 437 LEU H H 437 7.349 7.349 7.791 -0.442 19213 2657 1 4 . 1 1 440 440 ARG HA H 440 3.274 3.274 3.861 -0.587 19213 2658 1 4 . 1 1 440 440 ARG C C 440 175.983 175.983 177.729 -1.746 19213 2659 1 4 . 1 1 440 440 ARG CA C 440 60.018 60.018 58.854 1.164 19213 2660 1 4 . 1 1 440 440 ARG CB C 440 30.268 30.268 30.270 -0.002 19213 2661 1 4 . 1 1 441 441 GLN N N 441 117.801 117.801 118.496 -0.695 19213 2662 1 4 . 1 1 441 441 GLN HA H 441 3.804 3.804 4.467 -0.663 19213 2663 1 4 . 1 1 441 441 GLN C C 441 178.030 178.030 177.716 0.314 19213 2664 1 4 . 1 1 441 441 GLN CA C 441 58.764 58.764 58.726 0.038 19213 2665 1 4 . 1 1 441 441 GLN CB C 441 27.434 27.434 28.235 -0.801 19213 2666 1 4 . 1 1 441 441 GLN H H 441 8.079 8.079 8.725 -0.646 19213 2667 1 4 . 1 1 442 442 ALA N N 442 120.194 120.194 122.394 -2.200 19213 2668 1 4 . 1 1 442 442 ALA HA H 442 4.123 4.123 4.139 -0.016 19213 2669 1 4 . 1 1 442 442 ALA C C 442 181.577 181.577 179.459 2.118 19213 2670 1 4 . 1 1 442 442 ALA CA C 442 54.940 54.940 54.979 -0.039 19213 2671 1 4 . 1 1 442 442 ALA CB C 442 18.705 18.705 18.113 0.592 19213 2672 1 4 . 1 1 442 442 ALA H H 442 7.914 7.914 7.435 0.479 19213 2673 1 4 . 1 1 443 443 ILE N N 443 120.712 120.712 115.793 4.919 19213 2674 1 4 . 1 1 443 443 ILE HA H 443 3.445 3.445 3.594 -0.149 19213 2675 1 4 . 1 1 443 443 ILE C C 443 177.663 177.663 177.816 -0.153 19213 2676 1 4 . 1 1 443 443 ILE CA C 443 65.907 65.907 64.180 1.727 19213 2677 1 4 . 1 1 443 443 ILE CB C 443 37.169 37.169 36.916 0.253 19213 2678 1 4 . 1 1 443 443 ILE H H 443 7.663 7.663 7.286 0.377 19213 2679 1 4 . 1 1 444 444 PHE N N 444 119.033 119.033 119.211 -0.178 19213 2680 1 4 . 1 1 444 444 PHE HA H 444 4.311 4.311 4.148 0.163 19213 2681 1 4 . 1 1 444 444 PHE C C 444 178.273 178.273 177.932 0.341 19213 2682 1 4 . 1 1 444 444 PHE CA C 444 58.956 58.956 61.672 -2.716 19213 2683 1 4 . 1 1 444 444 PHE CB C 444 38.154 38.154 38.028 0.126 19213 2684 1 4 . 1 1 444 444 PHE H H 444 8.077 8.077 7.480 0.597 19213 2685 1 4 . 1 1 445 445 GLU N N 445 115.469 115.469 119.458 -3.989 19213 2686 1 4 . 1 1 445 445 GLU HA H 445 4.399 4.399 4.019 0.380 19213 2687 1 4 . 1 1 445 445 GLU C C 445 179.822 179.822 179.207 0.615 19213 2688 1 4 . 1 1 445 445 GLU CA C 445 58.472 58.472 59.648 -1.176 19213 2689 1 4 . 1 1 445 445 GLU CB C 445 28.797 28.797 29.215 -0.418 19213 2690 1 4 . 1 1 445 445 GLU H H 445 8.746 8.746 8.359 0.387 19213 2691 1 4 . 1 1 446 446 THR N N 446 117.987 117.987 116.254 1.733 19213 2692 1 4 . 1 1 446 446 THR HA H 446 4.067 4.067 4.063 0.004 19213 2693 1 4 . 1 1 446 446 THR C C 446 175.802 175.802 176.611 -0.809 19213 2694 1 4 . 1 1 446 446 THR CA C 446 66.959 66.959 66.790 0.169 19213 2695 1 4 . 1 1 446 446 THR CB C 446 68.289 68.289 68.412 -0.123 19213 2696 1 4 . 1 1 446 446 THR H H 446 8.139 8.139 7.791 0.348 19213 2697 1 4 . 1 1 447 447 LEU N N 447 122.061 122.061 120.802 1.259 19213 2698 1 4 . 1 1 447 447 LEU HA H 447 3.874 3.874 4.280 -0.406 19213 2699 1 4 . 1 1 447 447 LEU C C 447 179.377 179.377 178.436 0.941 19213 2700 1 4 . 1 1 447 447 LEU CA C 447 58.858 58.858 57.671 1.187 19213 2701 1 4 . 1 1 447 447 LEU CB C 447 42.709 42.709 41.585 1.124 19213 2702 1 4 . 1 1 447 447 LEU H H 447 8.608 8.608 7.737 0.871 19213 2703 1 4 . 1 1 448 448 VAL N N 448 108.293 108.293 119.890 -11.597 19213 2704 1 4 . 1 1 448 448 VAL HA H 448 3.973 3.973 3.688 0.285 19213 2705 1 4 . 1 1 448 448 VAL C C 448 177.414 177.414 178.161 -0.747 19213 2706 1 4 . 1 1 448 448 VAL CA C 448 64.624 64.624 66.505 -1.881 19213 2707 1 4 . 1 1 448 448 VAL CB C 448 29.895 29.895 30.952 -1.057 19213 2708 1 4 . 1 1 448 448 VAL H H 448 7.783 7.783 8.339 -0.556 19213 2709 1 4 . 1 1 449 449 ALA N N 449 124.901 124.901 122.241 2.660 19213 2710 1 4 . 1 1 449 449 ALA HA H 449 4.291 4.291 4.002 0.289 19213 2711 1 4 . 1 1 449 449 ALA C C 449 181.177 181.177 179.221 1.956 19213 2712 1 4 . 1 1 449 449 ALA CA C 449 55.144 55.144 55.600 -0.456 19213 2713 1 4 . 1 1 449 449 ALA CB C 449 18.558 18.558 18.298 0.260 19213 2714 1 4 . 1 1 449 449 ALA H H 449 7.477 7.477 8.935 -1.458 19213 2715 1 4 . 1 1 450 450 LYS N N 450 118.438 118.438 118.739 -0.301 19213 2716 1 4 . 1 1 450 450 LYS HA H 450 4.194 4.194 4.032 0.162 19213 2717 1 4 . 1 1 450 450 LYS C C 450 180.027 180.027 179.202 0.825 19213 2718 1 4 . 1 1 450 450 LYS CA C 450 58.274 58.274 59.257 -0.983 19213 2719 1 4 . 1 1 450 450 LYS CB C 450 31.673 31.673 32.370 -0.697 19213 2720 1 4 . 1 1 450 450 LYS H H 450 8.835 8.835 7.566 1.269 19213 2721 1 4 . 1 1 451 451 GLY N N 451 108.035 108.035 107.717 0.318 19213 2722 1 4 . 1 1 451 451 GLY C C 451 173.706 173.706 176.055 -2.349 19213 2723 1 4 . 1 1 451 451 GLY CA C 451 47.992 47.992 47.212 0.780 19213 2724 1 4 . 1 1 451 451 GLY H H 451 8.765 8.765 8.617 0.148 19213 2725 1 4 . 1 1 452 452 ARG N N 452 122.460 122.460 120.062 2.398 19213 2726 1 4 . 1 1 452 452 ARG HA H 452 4.080 4.080 4.187 -0.107 19213 2727 1 4 . 1 1 452 452 ARG C C 452 178.863 178.863 177.922 0.941 19213 2728 1 4 . 1 1 452 452 ARG CA C 452 60.572 60.572 59.017 1.556 19213 2729 1 4 . 1 1 452 452 ARG CB C 452 30.407 30.407 29.979 0.428 19213 2730 1 4 . 1 1 452 452 ARG H H 452 8.272 8.272 8.047 0.225 19213 2731 1 4 . 1 1 453 453 GLU N N 453 119.784 119.784 119.707 0.077 19213 2732 1 4 . 1 1 453 453 GLU HA H 453 4.096 4.096 4.210 -0.114 19213 2733 1 4 . 1 1 453 453 GLU C C 453 178.778 178.778 178.625 0.153 19213 2734 1 4 . 1 1 453 453 GLU CA C 453 59.023 59.023 58.131 0.892 19213 2735 1 4 . 1 1 453 453 GLU CB C 453 30.241 30.241 29.706 0.534 19213 2736 1 4 . 1 1 453 453 GLU H H 453 7.894 7.894 7.810 0.084 19213 2737 1 4 . 1 1 454 454 LEU N N 454 119.313 119.313 118.340 0.973 19213 2738 1 4 . 1 1 454 454 LEU HA H 454 4.171 4.171 4.072 0.099 19213 2739 1 4 . 1 1 454 454 LEU C C 454 178.457 178.457 178.949 -0.492 19213 2740 1 4 . 1 1 454 454 LEU CA C 454 57.869 57.869 57.338 0.531 19213 2741 1 4 . 1 1 454 454 LEU CB C 454 42.922 42.922 42.231 0.691 19213 2742 1 4 . 1 1 454 454 LEU H H 454 8.328 8.328 8.366 -0.038 19213 2743 1 4 . 1 1 455 455 LEU N N 455 113.192 113.192 115.714 -2.522 19213 2744 1 4 . 1 1 455 455 LEU HA H 455 4.380 4.380 4.301 0.079 19213 2745 1 4 . 1 1 455 455 LEU C C 455 176.795 176.795 176.587 0.208 19213 2746 1 4 . 1 1 455 455 LEU CA C 455 54.643 54.643 54.449 0.195 19213 2747 1 4 . 1 1 455 455 LEU CB C 455 43.897 43.897 42.081 1.816 19213 2748 1 4 . 1 1 455 455 LEU H H 455 7.424 7.424 7.470 -0.046 19213 2749 1 4 . 1 1 456 456 ALA N N 456 124.175 124.175 119.395 4.780 19213 2750 1 4 . 1 1 456 456 ALA HA H 456 4.244 4.244 4.164 0.080 19213 2751 1 4 . 1 1 456 456 ALA C C 456 177.051 177.051 176.966 0.085 19213 2752 1 4 . 1 1 456 456 ALA CA C 456 52.975 52.975 52.365 0.610 19213 2753 1 4 . 1 1 456 456 ALA CB C 456 16.514 16.514 16.317 0.197 19213 2754 1 4 . 1 1 456 456 ALA H H 456 8.573 8.573 7.354 1.219 19213 2755 1 4 . 1 1 457 457 CYS N N 457 111.282 111.282 118.311 -7.029 19213 2756 1 4 . 1 1 457 457 CYS HA H 457 5.592 5.592 4.600 0.992 19213 2757 1 4 . 1 1 457 457 CYS C C 457 172.935 172.935 175.580 -2.645 19213 2758 1 4 . 1 1 457 457 CYS CA C 457 54.876 54.876 58.286 -3.410 19213 2759 1 4 . 1 1 457 457 CYS CB C 457 29.887 29.887 29.018 0.869 19213 2760 1 4 . 1 1 457 457 CYS H H 457 7.000 7.000 7.814 -0.814 19213 2761 1 4 . 1 1 458 458 ASP N N 458 117.373 117.373 121.391 -4.018 19213 2762 1 4 . 1 1 458 458 ASP HA H 458 4.834 4.834 4.624 0.210 19213 2763 1 4 . 1 1 458 458 ASP C C 458 175.463 175.463 175.836 -0.373 19213 2764 1 4 . 1 1 458 458 ASP CA C 458 57.972 57.972 56.565 1.407 19213 2765 1 4 . 1 1 458 458 ASP CB C 458 42.753 42.753 41.479 1.274 19213 2766 1 4 . 1 1 458 458 ASP H H 458 7.265 7.265 8.514 -1.249 19213 2767 1 4 . 1 1 459 459 ARG N N 459 117.328 117.328 118.075 -0.747 19213 2768 1 4 . 1 1 459 459 ARG HA H 459 5.511 5.511 4.952 0.559 19213 2769 1 4 . 1 1 459 459 ARG C C 459 174.652 174.652 173.717 0.935 19213 2770 1 4 . 1 1 459 459 ARG CA C 459 55.593 55.593 55.181 0.412 19213 2771 1 4 . 1 1 459 459 ARG CB C 459 35.294 35.294 33.683 1.611 19213 2772 1 4 . 1 1 459 459 ARG H H 459 8.099 8.099 7.506 0.593 19213 2773 1 4 . 1 1 460 460 VAL N N 460 127.029 127.029 120.633 6.396 19213 2774 1 4 . 1 1 460 460 VAL HA H 460 5.182 5.182 4.463 0.719 19213 2775 1 4 . 1 1 460 460 VAL C C 460 174.538 174.538 172.865 1.673 19213 2776 1 4 . 1 1 460 460 VAL CA C 460 61.684 61.684 60.603 1.081 19213 2777 1 4 . 1 1 460 460 VAL CB C 460 35.157 35.157 34.477 0.680 19213 2778 1 4 . 1 1 460 460 VAL H H 460 9.215 9.215 8.352 0.863 19213 2779 1 4 . 1 1 461 461 ILE N N 461 118.191 118.191 124.845 -6.654 19213 2780 1 4 . 1 1 461 461 ILE HA H 461 5.269 5.269 4.358 0.911 19213 2781 1 4 . 1 1 461 461 ILE C C 461 174.436 174.436 174.214 0.222 19213 2782 1 4 . 1 1 461 461 ILE CA C 461 58.897 58.897 60.368 -1.472 19213 2783 1 4 . 1 1 461 461 ILE CB C 461 41.973 41.973 40.612 1.361 19213 2784 1 4 . 1 1 461 461 ILE H H 461 9.051 9.051 8.440 0.611 19213 2785 1 4 . 1 1 462 462 VAL N N 462 119.036 119.036 123.185 -4.149 19213 2786 1 4 . 1 1 462 462 VAL HA H 462 4.218 4.218 4.472 -0.254 19213 2787 1 4 . 1 1 462 462 VAL C C 462 173.040 173.040 174.115 -1.075 19213 2788 1 4 . 1 1 462 462 VAL CA C 462 62.382 62.382 61.238 1.144 19213 2789 1 4 . 1 1 462 462 VAL CB C 462 33.016 33.016 34.523 -1.507 19213 2790 1 4 . 1 1 462 462 VAL H H 462 7.266 7.266 8.070 -0.804 19213 2791 1 4 . 1 1 463 463 TYR N N 463 131.813 131.813 123.046 8.767 19213 2792 1 4 . 1 1 463 463 TYR HA H 463 4.634 4.634 5.171 -0.537 19213 2793 1 4 . 1 1 463 463 TYR C C 463 172.062 172.062 172.789 -0.727 19213 2794 1 4 . 1 1 463 463 TYR CA C 463 54.971 54.971 54.737 0.234 19213 2795 1 4 . 1 1 463 463 TYR CB C 463 40.572 40.572 41.430 -0.858 19213 2796 1 4 . 1 1 463 463 TYR H H 463 8.796 8.796 7.431 1.365 19213 2797 1 4 . 1 1 464 464 ALA N N 464 127.309 127.309 120.858 6.451 19213 2798 1 4 . 1 1 464 464 ALA HA H 464 3.810 3.810 4.317 -0.507 19213 2799 1 4 . 1 1 464 464 ALA C C 464 176.605 176.605 175.780 0.825 19213 2800 1 4 . 1 1 464 464 ALA CA C 464 50.931 50.931 49.725 1.206 19213 2801 1 4 . 1 1 464 464 ALA CB C 464 21.945 21.945 20.789 1.156 19213 2802 1 4 . 1 1 464 464 ALA H H 464 8.423 8.423 8.186 0.237 19213 2803 1 4 . 1 1 465 465 PHE N N 465 119.567 119.567 121.769 -2.202 19213 2804 1 4 . 1 1 465 465 PHE HA H 465 4.635 4.635 4.455 0.180 19213 2805 1 4 . 1 1 465 465 PHE C C 465 176.576 176.576 175.549 1.027 19213 2806 1 4 . 1 1 465 465 PHE CA C 465 57.430 57.430 59.973 -2.543 19213 2807 1 4 . 1 1 465 465 PHE CB C 465 41.434 41.434 40.173 1.261 19213 2808 1 4 . 1 1 465 465 PHE H H 465 7.687 7.687 8.893 -1.206 19213 2809 1 4 . 1 1 466 466 ASP N N 466 120.914 120.914 123.732 -2.818 19213 2810 1 4 . 1 1 466 466 ASP HA H 466 4.699 4.699 4.803 -0.104 19213 2811 1 4 . 1 1 466 466 ASP C C 466 178.481 178.481 176.967 1.514 19213 2812 1 4 . 1 1 466 466 ASP CA C 466 51.837 51.837 53.288 -1.451 19213 2813 1 4 . 1 1 466 466 ASP CB C 466 40.950 40.950 42.475 -1.525 19213 2814 1 4 . 1 1 466 466 ASP H H 466 7.829 7.829 8.085 -0.256 19213 2815 1 4 . 1 1 467 467 ASP N N 467 115.889 115.889 119.201 -3.312 19213 2816 1 4 . 1 1 467 467 ASP HA H 467 4.018 4.018 4.589 -0.571 19213 2817 1 4 . 1 1 467 467 ASP C C 467 176.022 176.022 175.864 0.158 19213 2818 1 4 . 1 1 467 467 ASP CA C 467 56.052 56.052 55.885 0.167 19213 2819 1 4 . 1 1 467 467 ASP CB C 467 40.144 40.144 41.009 -0.865 19213 2820 1 4 . 1 1 467 467 ASP H H 467 8.138 8.138 8.676 -0.538 19213 2821 1 4 . 1 1 468 468 ASN N N 468 116.903 116.903 117.754 -0.851 19213 2822 1 4 . 1 1 468 468 ASN HA H 468 4.954 4.954 4.843 0.111 19213 2823 1 4 . 1 1 468 468 ASN C C 468 174.155 174.155 174.923 -0.768 19213 2824 1 4 . 1 1 468 468 ASN CA C 468 52.052 52.052 52.450 -0.398 19213 2825 1 4 . 1 1 468 468 ASN CB C 468 39.733 39.733 37.966 1.767 19213 2826 1 4 . 1 1 468 468 ASN H H 468 8.076 8.076 8.345 -0.269 19213 2827 1 4 . 1 1 469 469 TYR N N 469 112.788 112.788 114.911 -2.123 19213 2828 1 4 . 1 1 469 469 TYR HA H 469 3.249 3.249 4.196 -0.947 19213 2829 1 4 . 1 1 469 469 TYR C C 469 175.377 175.377 174.369 1.008 19213 2830 1 4 . 1 1 469 469 TYR CA C 469 61.891 61.891 59.297 2.594 19213 2831 1 4 . 1 1 469 469 TYR CB C 469 34.352 34.352 35.934 -1.582 19213 2832 1 4 . 1 1 469 469 TYR H H 469 7.785 7.785 7.714 0.071 19213 2833 1 4 . 1 1 470 470 VAL N N 470 122.718 122.718 117.970 4.748 19213 2834 1 4 . 1 1 470 470 VAL HA H 470 4.010 4.010 4.219 -0.209 19213 2835 1 4 . 1 1 470 470 VAL CA C 470 63.699 63.699 60.777 2.922 19213 2836 1 4 . 1 1 470 470 VAL CB C 470 30.721 30.721 33.631 -2.910 19213 2837 1 4 . 1 1 470 470 VAL H H 470 8.666 8.666 7.596 1.070 19213 2838 1 4 . 1 1 471 471 GLY C C 471 170.959 170.959 172.722 -1.763 19213 2839 1 4 . 1 1 471 471 GLY CA C 471 43.674 43.674 43.877 -0.203 19213 2840 1 4 . 1 1 472 472 THR N N 472 118.003 118.003 115.087 2.916 19213 2841 1 4 . 1 1 472 472 THR HA H 472 4.931 4.931 4.540 0.391 19213 2842 1 4 . 1 1 472 472 THR C C 472 174.282 174.282 174.122 0.160 19213 2843 1 4 . 1 1 472 472 THR CA C 472 61.142 61.142 61.788 -0.646 19213 2844 1 4 . 1 1 472 472 THR CB C 472 70.941 70.941 70.544 0.397 19213 2845 1 4 . 1 1 472 472 THR H H 472 8.150 8.150 7.983 0.167 19213 2846 1 4 . 1 1 473 473 VAL N N 473 126.802 126.802 129.581 -2.779 19213 2847 1 4 . 1 1 473 473 VAL HA H 473 4.552 4.552 4.121 0.431 19213 2848 1 4 . 1 1 473 473 VAL C C 473 175.472 175.472 175.890 -0.418 19213 2849 1 4 . 1 1 473 473 VAL CA C 473 62.066 62.066 62.678 -0.612 19213 2850 1 4 . 1 1 473 473 VAL CB C 473 29.572 29.572 29.562 0.010 19213 2851 1 4 . 1 1 473 473 VAL H H 473 8.740 8.740 9.338 -0.598 19213 2852 1 4 . 1 1 474 474 VAL N N 474 122.729 122.729 127.515 -4.786 19213 2853 1 4 . 1 1 474 474 VAL HA H 474 4.394 4.394 3.895 0.499 19213 2854 1 4 . 1 1 474 474 VAL C C 474 175.653 175.653 174.054 1.599 19213 2855 1 4 . 1 1 474 474 VAL CA C 474 62.168 62.168 62.347 -0.179 19213 2856 1 4 . 1 1 474 474 VAL CB C 474 32.041 32.041 32.442 -0.401 19213 2857 1 4 . 1 1 474 474 VAL H H 474 7.753 7.753 8.303 -0.550 19213 2858 1 4 . 1 1 475 475 ALA N N 475 117.768 117.768 120.208 -2.440 19213 2859 1 4 . 1 1 475 475 ALA HA H 475 4.493 4.493 4.640 -0.147 19213 2860 1 4 . 1 1 475 475 ALA C C 475 174.317 174.317 174.231 0.086 19213 2861 1 4 . 1 1 475 475 ALA CA C 475 52.144 52.144 51.600 0.544 19213 2862 1 4 . 1 1 475 475 ALA CB C 475 23.434 23.434 21.178 2.256 19213 2863 1 4 . 1 1 475 475 ALA H H 475 7.366 7.366 7.018 0.348 19213 2864 1 4 . 1 1 476 476 GLU N N 476 122.294 122.294 122.379 -0.085 19213 2865 1 4 . 1 1 476 476 GLU HA H 476 5.143 5.143 4.541 0.602 19213 2866 1 4 . 1 1 476 476 GLU C C 476 173.452 173.452 174.317 -0.865 19213 2867 1 4 . 1 1 476 476 GLU CA C 476 55.216 55.216 56.071 -0.855 19213 2868 1 4 . 1 1 476 476 GLU CB C 476 36.288 36.288 33.037 3.251 19213 2869 1 4 . 1 1 476 476 GLU H H 476 8.455 8.455 8.504 -0.049 19213 2870 1 4 . 1 1 477 477 SER N N 477 121.014 121.014 118.848 2.166 19213 2871 1 4 . 1 1 477 477 SER HA H 477 4.910 4.910 5.024 -0.114 19213 2872 1 4 . 1 1 477 477 SER C C 477 173.417 173.417 172.207 1.210 19213 2873 1 4 . 1 1 477 477 SER CA C 477 56.576 56.576 56.991 -0.415 19213 2874 1 4 . 1 1 477 477 SER CB C 477 63.836 63.836 65.064 -1.228 19213 2875 1 4 . 1 1 477 477 SER H H 477 8.867 8.867 8.313 0.554 19213 2876 1 4 . 1 1 478 478 VAL N N 478 128.791 128.791 122.128 6.663 19213 2877 1 4 . 1 1 478 478 VAL HA H 478 5.361 5.361 4.684 0.677 19213 2878 1 4 . 1 1 478 478 VAL C C 478 172.729 172.729 174.656 -1.927 19213 2879 1 4 . 1 1 478 478 VAL CA C 478 58.657 58.657 59.865 -1.208 19213 2880 1 4 . 1 1 478 478 VAL CB C 478 35.971 35.971 35.563 0.408 19213 2881 1 4 . 1 1 478 478 VAL H H 478 9.143 9.143 8.346 0.797 19213 2882 1 4 . 1 1 479 479 ALA N N 479 129.671 129.671 128.117 1.554 19213 2883 1 4 . 1 1 479 479 ALA HA H 479 4.373 4.373 4.398 -0.025 19213 2884 1 4 . 1 1 479 479 ALA C C 479 176.732 176.732 177.330 -0.598 19213 2885 1 4 . 1 1 479 479 ALA CA C 479 52.231 52.231 52.353 -0.122 19213 2886 1 4 . 1 1 479 479 ALA CB C 479 20.053 20.053 19.894 0.159 19213 2887 1 4 . 1 1 479 479 ALA H H 479 8.632 8.632 8.457 0.175 19213 2888 1 4 . 1 1 480 480 GLU N N 480 120.434 120.434 119.560 0.874 19213 2889 1 4 . 1 1 480 480 GLU HA H 480 4.028 4.028 4.055 -0.027 19213 2890 1 4 . 1 1 480 480 GLU C C 480 177.151 177.151 176.782 0.369 19213 2891 1 4 . 1 1 480 480 GLU CA C 480 58.179 58.179 57.247 0.932 19213 2892 1 4 . 1 1 480 480 GLU CB C 480 29.797 29.797 28.950 0.847 19213 2893 1 4 . 1 1 480 480 GLU H H 480 8.558 8.558 8.493 0.065 19213 2894 1 4 . 1 1 481 481 GLY N N 481 110.914 110.914 111.638 -0.724 19213 2895 1 4 . 1 1 481 481 GLY C C 481 174.073 174.073 173.683 0.390 19213 2896 1 4 . 1 1 481 481 GLY CA C 481 44.681 44.681 44.206 0.475 19213 2897 1 4 . 1 1 481 481 GLY H H 481 8.539 8.539 8.501 0.038 19213 2898 1 4 . 1 1 482 482 TRP N N 482 119.508 119.508 121.930 -2.422 19213 2899 1 4 . 1 1 482 482 TRP HA H 482 5.290 5.290 5.022 0.268 19213 2900 1 4 . 1 1 482 482 TRP CA C 482 53.659 53.659 54.185 -0.526 19213 2901 1 4 . 1 1 482 482 TRP CB C 482 29.487 29.487 29.663 -0.176 19213 2902 1 4 . 1 1 482 482 TRP H H 482 7.009 7.009 7.163 -0.154 19213 2903 1 4 . 1 1 483 483 PRO HA H 483 4.426 4.426 4.574 -0.148 19213 2904 1 4 . 1 1 483 483 PRO C C 483 175.722 175.722 175.565 0.157 19213 2905 1 4 . 1 1 483 483 PRO CA C 483 63.259 63.259 62.593 0.666 19213 2906 1 4 . 1 1 483 483 PRO CB C 483 33.238 33.238 32.539 0.699 19213 2907 1 4 . 1 1 484 484 GLN N N 484 121.488 121.488 122.341 -0.853 19213 2908 1 4 . 1 1 484 484 GLN HA H 484 4.936 4.936 4.358 0.578 19213 2909 1 4 . 1 1 484 484 GLN C C 484 176.405 176.405 175.353 1.052 19213 2910 1 4 . 1 1 484 484 GLN CA C 484 55.688 55.688 55.635 0.053 19213 2911 1 4 . 1 1 484 484 GLN CB C 484 29.565 29.565 30.288 -0.723 19213 2912 1 4 . 1 1 484 484 GLN H H 484 8.646 8.646 8.516 0.130 19213 2913 1 4 . 1 1 485 485 ALA N N 485 133.617 133.617 125.952 7.665 19213 2914 1 4 . 1 1 485 485 ALA HA H 485 4.340 4.340 4.569 -0.229 19213 2915 1 4 . 1 1 485 485 ALA C C 485 176.317 176.317 176.394 -0.077 19213 2916 1 4 . 1 1 485 485 ALA CA C 485 51.289 51.289 52.078 -0.789 19213 2917 1 4 . 1 1 485 485 ALA CB C 485 20.581 20.581 19.882 0.699 19213 2918 1 4 . 1 1 485 485 ALA H H 485 11.964 11.964 8.510 3.454 19213 2919 1 4 . 1 1 486 486 ARG N N 486 119.720 119.720 119.333 0.387 19213 2920 1 4 . 1 1 486 486 ARG HA H 486 3.300 3.300 4.038 -0.738 19213 2921 1 4 . 1 1 486 486 ARG C C 486 175.502 175.502 175.565 -0.063 19213 2922 1 4 . 1 1 486 486 ARG CA C 486 59.200 59.200 56.478 2.722 19213 2923 1 4 . 1 1 486 486 ARG CB C 486 30.648 30.648 28.419 2.228 19213 2924 1 4 . 1 1 486 486 ARG H H 486 8.235 8.235 8.242 -0.007 19213 2925 1 4 . 1 1 487 487 ASP N N 487 119.936 119.936 118.951 0.985 19213 2926 1 4 . 1 1 487 487 ASP HA H 487 4.141 4.141 4.120 0.021 19213 2927 1 4 . 1 1 487 487 ASP C C 487 175.557 175.557 174.755 0.802 19213 2928 1 4 . 1 1 487 487 ASP CA C 487 57.148 57.148 55.824 1.324 19213 2929 1 4 . 1 1 487 487 ASP CB C 487 39.031 39.031 40.526 -1.495 19213 2930 1 4 . 1 1 487 487 ASP H H 487 9.023 9.023 9.035 -0.012 19213 2931 1 4 . 1 1 488 488 GLN N N 488 119.954 119.954 117.753 2.201 19213 2932 1 4 . 1 1 488 488 GLN HA H 488 4.147 4.147 4.564 -0.417 19213 2933 1 4 . 1 1 488 488 GLN C C 488 174.993 174.993 174.570 0.423 19213 2934 1 4 . 1 1 488 488 GLN CA C 488 57.475 57.475 54.748 2.727 19213 2935 1 4 . 1 1 488 488 GLN CB C 488 28.866 28.866 31.379 -2.513 19213 2936 1 4 . 1 1 488 488 GLN H H 488 8.200 8.200 7.644 0.556 19213 2937 1 4 . 1 1 489 489 VAL N N 489 124.202 124.202 118.330 5.872 19213 2938 1 4 . 1 1 489 489 VAL HA H 489 4.593 4.593 4.521 0.072 19213 2939 1 4 . 1 1 489 489 VAL C C 489 177.060 177.060 174.538 2.522 19213 2940 1 4 . 1 1 489 489 VAL CA C 489 61.871 61.871 60.139 1.732 19213 2941 1 4 . 1 1 489 489 VAL CB C 489 32.575 32.575 33.193 -0.618 19213 2942 1 4 . 1 1 489 489 VAL H H 489 8.379 8.379 8.374 0.005 19213 2943 1 4 . 1 1 490 490 ILE N N 490 128.772 128.772 126.811 1.961 19213 2944 1 4 . 1 1 490 490 ILE HA H 490 4.433 4.433 4.156 0.277 19213 2945 1 4 . 1 1 490 490 ILE C C 490 174.634 174.634 174.719 -0.085 19213 2946 1 4 . 1 1 490 490 ILE CA C 490 60.464 60.464 60.603 -0.139 19213 2947 1 4 . 1 1 490 490 ILE CB C 490 41.025 41.025 38.165 2.860 19213 2948 1 4 . 1 1 490 490 ILE H H 490 8.952 8.952 8.279 0.673 19213 2949 1 4 . 1 1 491 491 GLU N N 491 130.867 130.867 128.187 2.680 19213 2950 1 4 . 1 1 491 491 GLU HA H 491 4.598 4.598 4.458 0.140 19213 2951 1 4 . 1 1 491 491 GLU C C 491 174.015 174.015 174.598 -0.583 19213 2952 1 4 . 1 1 491 491 GLU CA C 491 55.930 55.930 55.644 0.286 19213 2953 1 4 . 1 1 491 491 GLU CB C 491 28.942 28.942 30.589 -1.647 19213 2954 1 4 . 1 1 491 491 GLU H H 491 9.289 9.289 8.676 0.613 19213 2955 1 4 . 1 1 492 492 ASP N N 492 130.401 130.401 124.101 6.300 19213 2956 1 4 . 1 1 492 492 ASP HA H 492 5.210 5.210 4.993 0.217 19213 2957 1 4 . 1 1 492 492 ASP CA C 492 50.160 50.160 51.583 -1.423 19213 2958 1 4 . 1 1 492 492 ASP CB C 492 43.965 43.965 42.675 1.290 19213 2959 1 4 . 1 1 492 492 ASP H H 492 9.437 9.437 8.287 1.150 19213 2960 1 4 . 1 1 493 493 PRO HA H 493 4.359 4.359 4.357 0.002 19213 2961 1 4 . 1 1 493 493 PRO C C 493 176.079 176.079 175.869 0.210 19213 2962 1 4 . 1 1 493 493 PRO CA C 493 63.617 63.617 62.979 0.638 19213 2963 1 4 . 1 1 493 493 PRO CB C 493 33.300 33.300 30.017 3.283 19213 2964 1 4 . 1 1 494 494 CYS N N 494 117.251 117.251 118.013 -0.762 19213 2965 1 4 . 1 1 494 494 CYS HA H 494 4.147 4.147 4.464 -0.317 19213 2966 1 4 . 1 1 494 494 CYS C C 494 176.789 176.789 176.228 0.561 19213 2967 1 4 . 1 1 494 494 CYS CA C 494 58.195 58.195 59.810 -1.615 19213 2968 1 4 . 1 1 494 494 CYS CB C 494 33.343 33.343 29.088 4.255 19213 2969 1 4 . 1 1 494 494 CYS H H 494 8.806 8.806 8.014 0.792 19213 2970 1 4 . 1 1 495 495 PHE N N 495 118.785 118.785 120.497 -1.712 19213 2971 1 4 . 1 1 495 495 PHE HA H 495 4.328 4.328 4.499 -0.171 19213 2972 1 4 . 1 1 495 495 PHE C C 495 176.529 176.529 177.885 -1.356 19213 2973 1 4 . 1 1 495 495 PHE CA C 495 63.265 63.265 59.909 3.356 19213 2974 1 4 . 1 1 495 495 PHE CB C 495 37.239 37.239 37.730 -0.491 19213 2975 1 4 . 1 1 495 495 PHE H H 495 6.799 6.799 8.089 -1.290 19213 2976 1 4 . 1 1 496 496 ARG N N 496 118.755 118.755 119.225 -0.470 19213 2977 1 4 . 1 1 496 496 ARG HA H 496 3.692 3.692 3.400 0.292 19213 2978 1 4 . 1 1 496 496 ARG C C 496 178.119 178.119 176.401 1.718 19213 2979 1 4 . 1 1 496 496 ARG CA C 496 58.495 58.495 58.181 0.314 19213 2980 1 4 . 1 1 496 496 ARG CB C 496 29.942 29.942 28.393 1.549 19213 2981 1 4 . 1 1 496 496 ARG H H 496 9.000 9.000 6.012 2.988 19213 2982 1 4 . 1 1 497 497 GLU N N 497 115.895 115.895 118.289 -2.394 19213 2983 1 4 . 1 1 497 497 GLU HA H 497 3.858 3.858 4.138 -0.280 19213 2984 1 4 . 1 1 497 497 GLU C C 497 177.981 177.981 177.357 0.624 19213 2985 1 4 . 1 1 497 497 GLU CA C 497 58.920 58.920 57.887 1.033 19213 2986 1 4 . 1 1 497 497 GLU CB C 497 29.841 29.841 29.914 -0.073 19213 2987 1 4 . 1 1 497 497 GLU H H 497 7.849 7.849 7.800 0.049 19213 2988 1 4 . 1 1 498 498 HIS N N 498 111.119 111.119 116.191 -5.072 19213 2989 1 4 . 1 1 498 498 HIS HA H 498 4.710 4.710 4.629 0.081 19213 2990 1 4 . 1 1 498 498 HIS CA C 498 55.904 55.904 57.693 -1.788 19213 2991 1 4 . 1 1 498 498 HIS CB C 498 30.890 30.890 30.414 0.476 19213 2992 1 4 . 1 1 498 498 HIS H H 498 7.717 7.717 7.188 0.529 19213 2993 1 4 . 1 1 499 499 TRP HA H 499 5.476 5.476 4.630 0.846 19213 2994 1 4 . 1 1 499 499 TRP C C 499 176.398 176.398 177.738 -1.340 19213 2995 1 4 . 1 1 499 499 TRP CA C 499 58.111 58.111 61.287 -3.176 19213 2996 1 4 . 1 1 499 499 TRP CB C 499 34.294 34.294 28.873 5.421 19213 2997 1 4 . 1 1 500 500 VAL N N 500 121.907 121.907 122.167 -0.260 19213 2998 1 4 . 1 1 500 500 VAL HA H 500 3.421 3.421 3.352 0.069 19213 2999 1 4 . 1 1 500 500 VAL C C 500 177.163 177.163 177.051 0.112 19213 3000 1 4 . 1 1 500 500 VAL CA C 500 68.043 68.043 66.701 1.342 19213 3001 1 4 . 1 1 500 500 VAL CB C 500 31.127 31.127 31.536 -0.409 19213 3002 1 4 . 1 1 500 500 VAL H H 500 8.071 8.071 7.712 0.359 19213 3003 1 4 . 1 1 501 501 GLU N N 501 117.634 117.634 119.318 -1.684 19213 3004 1 4 . 1 1 501 501 GLU HA H 501 4.130 4.130 3.936 0.194 19213 3005 1 4 . 1 1 501 501 GLU C C 501 178.314 178.314 178.572 -0.258 19213 3006 1 4 . 1 1 501 501 GLU CA C 501 58.781 58.781 59.276 -0.495 19213 3007 1 4 . 1 1 501 501 GLU CB C 501 28.631 28.631 28.646 -0.015 19213 3008 1 4 . 1 1 501 501 GLU H H 501 8.188 8.188 8.321 -0.133 19213 3009 1 4 . 1 1 502 502 ALA N N 502 120.830 120.830 122.301 -1.471 19213 3010 1 4 . 1 1 502 502 ALA HA H 502 4.106 4.106 4.061 0.045 19213 3011 1 4 . 1 1 502 502 ALA C C 502 181.963 181.963 180.249 1.714 19213 3012 1 4 . 1 1 502 502 ALA CA C 502 54.953 54.953 54.619 0.334 19213 3013 1 4 . 1 1 502 502 ALA CB C 502 18.558 18.558 18.147 0.411 19213 3014 1 4 . 1 1 502 502 ALA H H 502 7.996 7.996 7.836 0.160 19213 3015 1 4 . 1 1 503 503 TYR N N 503 118.238 118.238 119.317 -1.079 19213 3016 1 4 . 1 1 503 503 TYR HA H 503 4.362 4.362 4.390 -0.028 19213 3017 1 4 . 1 1 503 503 TYR C C 503 178.723 178.723 179.080 -0.357 19213 3018 1 4 . 1 1 503 503 TYR CA C 503 64.148 64.148 60.398 3.750 19213 3019 1 4 . 1 1 503 503 TYR CB C 503 39.126 39.126 38.096 1.030 19213 3020 1 4 . 1 1 503 503 TYR H H 503 8.665 8.665 8.908 -0.243 19213 3021 1 4 . 1 1 504 504 ARG N N 504 121.723 121.723 117.770 3.953 19213 3022 1 4 . 1 1 504 504 ARG HA H 504 3.905 3.905 4.092 -0.187 19213 3023 1 4 . 1 1 504 504 ARG C C 504 177.714 177.714 177.884 -0.170 19213 3024 1 4 . 1 1 504 504 ARG CA C 504 59.679 59.679 58.418 1.261 19213 3025 1 4 . 1 1 504 504 ARG CB C 504 30.495 30.495 29.143 1.352 19213 3026 1 4 . 1 1 504 504 ARG H H 504 8.824 8.824 8.311 0.513 19213 3027 1 4 . 1 1 505 505 GLN N N 505 113.473 113.473 114.690 -1.217 19213 3028 1 4 . 1 1 505 505 GLN HA H 505 4.332 4.332 4.385 -0.053 19213 3029 1 4 . 1 1 505 505 GLN C C 505 176.403 176.403 176.990 -0.587 19213 3030 1 4 . 1 1 505 505 GLN CA C 505 55.387 55.387 55.211 0.176 19213 3031 1 4 . 1 1 505 505 GLN CB C 505 28.792 28.792 29.122 -0.330 19213 3032 1 4 . 1 1 505 505 GLN H H 505 7.613 7.613 7.561 0.052 19213 3033 1 4 . 1 1 506 506 GLY N N 506 106.968 106.968 108.460 -1.492 19213 3034 1 4 . 1 1 506 506 GLY C C 506 174.133 174.133 174.736 -0.603 19213 3035 1 4 . 1 1 506 506 GLY CA C 506 45.874 45.874 44.988 0.886 19213 3036 1 4 . 1 1 506 506 GLY H H 506 7.867 7.867 8.221 -0.354 19213 3037 1 4 . 1 1 507 507 ARG N N 507 123.761 123.761 119.462 4.299 19213 3038 1 4 . 1 1 507 507 ARG HA H 507 3.717 3.717 4.473 -0.756 19213 3039 1 4 . 1 1 507 507 ARG C C 507 171.000 171.000 175.555 -4.555 19213 3040 1 4 . 1 1 507 507 ARG CA C 507 58.285 58.285 55.882 2.403 19213 3041 1 4 . 1 1 507 507 ARG CB C 507 29.901 29.901 31.300 -1.399 19213 3042 1 4 . 1 1 507 507 ARG H H 507 7.858 7.858 7.713 0.145 19213 3043 1 4 . 1 1 508 508 ILE N N 508 119.641 119.641 119.784 -0.143 19213 3044 1 4 . 1 1 508 508 ILE HA H 508 4.859 4.859 4.564 0.295 19213 3045 1 4 . 1 1 508 508 ILE C C 508 176.521 176.521 174.491 2.030 19213 3046 1 4 . 1 1 508 508 ILE CA C 508 59.199 59.199 58.952 0.247 19213 3047 1 4 . 1 1 508 508 ILE CB C 508 42.573 42.573 41.830 0.743 19213 3048 1 4 . 1 1 508 508 ILE H H 508 7.180 7.180 8.137 -0.957 19213 3049 1 4 . 1 1 509 509 GLN N N 509 125.871 125.871 126.724 -0.853 19213 3050 1 4 . 1 1 509 509 GLN HA H 509 4.918 4.918 4.631 0.287 19213 3051 1 4 . 1 1 509 509 GLN C C 509 173.750 173.750 173.364 0.386 19213 3052 1 4 . 1 1 509 509 GLN CA C 509 54.255 54.255 54.426 -0.171 19213 3053 1 4 . 1 1 509 509 GLN CB C 509 32.267 32.267 32.215 0.052 19213 3054 1 4 . 1 1 509 509 GLN H H 509 8.536 8.536 8.300 0.236 19213 3055 1 4 . 1 1 510 510 ALA N N 510 133.952 133.952 130.318 3.634 19213 3056 1 4 . 1 1 510 510 ALA HA H 510 4.946 4.946 5.960 -1.014 19213 3057 1 4 . 1 1 510 510 ALA C C 510 175.742 175.742 176.874 -1.132 19213 3058 1 4 . 1 1 510 510 ALA CA C 510 51.009 51.009 50.910 0.099 19213 3059 1 4 . 1 1 510 510 ALA CB C 510 21.245 21.245 21.083 0.162 19213 3060 1 4 . 1 1 510 510 ALA H H 510 8.865 8.865 8.602 0.263 19213 3061 1 4 . 1 1 511 511 THR N N 511 121.442 121.442 122.228 -0.786 19213 3062 1 4 . 1 1 511 511 THR HA H 511 4.652 4.652 4.727 -0.075 19213 3063 1 4 . 1 1 511 511 THR C C 511 174.487 174.487 175.031 -0.544 19213 3064 1 4 . 1 1 511 511 THR CA C 511 62.152 62.152 61.392 0.760 19213 3065 1 4 . 1 1 511 511 THR CB C 511 69.678 69.678 70.867 -1.189 19213 3066 1 4 . 1 1 511 511 THR H H 511 9.368 9.368 9.014 0.354 19213 3067 1 4 . 1 1 512 512 THR N N 512 126.491 126.491 115.698 10.793 19213 3068 1 4 . 1 1 512 512 THR HA H 512 4.706 4.706 4.093 0.613 19213 3069 1 4 . 1 1 512 512 THR C C 512 173.054 173.054 174.591 -1.537 19213 3070 1 4 . 1 1 512 512 THR CA C 512 63.609 63.609 64.647 -1.038 19213 3071 1 4 . 1 1 512 512 THR CB C 512 69.408 69.408 69.243 0.165 19213 3072 1 4 . 1 1 512 512 THR H H 512 8.829 8.829 8.267 0.562 19213 3073 1 4 . 1 1 513 513 ASP N N 513 113.706 113.706 120.712 -7.006 19213 3074 1 4 . 1 1 513 513 ASP HA H 513 5.022 5.022 4.964 0.058 19213 3075 1 4 . 1 1 513 513 ASP C C 513 179.097 179.097 176.980 2.117 19213 3076 1 4 . 1 1 513 513 ASP CA C 513 52.164 52.164 52.015 0.149 19213 3077 1 4 . 1 1 513 513 ASP CB C 513 42.331 42.331 40.789 1.542 19213 3078 1 4 . 1 1 513 513 ASP H H 513 7.272 7.272 7.972 -0.700 19213 3079 1 4 . 1 1 514 514 ILE N N 514 123.327 123.327 122.151 1.176 19213 3080 1 4 . 1 1 514 514 ILE HA H 514 3.636 3.636 4.024 -0.388 19213 3081 1 4 . 1 1 514 514 ILE C C 514 175.769 175.769 176.099 -0.330 19213 3082 1 4 . 1 1 514 514 ILE CA C 514 63.545 63.545 63.787 -0.242 19213 3083 1 4 . 1 1 514 514 ILE CB C 514 38.180 38.180 37.397 0.783 19213 3084 1 4 . 1 1 514 514 ILE H H 514 8.916 8.916 8.366 0.550 19213 3085 1 4 . 1 1 515 515 PHE N N 515 117.344 117.344 118.282 -0.938 19213 3086 1 4 . 1 1 515 515 PHE HA H 515 4.517 4.517 4.430 0.087 19213 3087 1 4 . 1 1 515 515 PHE C C 515 176.514 176.514 176.698 -0.184 19213 3088 1 4 . 1 1 515 515 PHE CA C 515 58.401 58.401 59.967 -1.566 19213 3089 1 4 . 1 1 515 515 PHE CB C 515 37.600 37.600 38.889 -1.289 19213 3090 1 4 . 1 1 515 515 PHE H H 515 8.154 8.154 8.035 0.119 19213 3091 1 4 . 1 1 516 516 LYS N N 516 120.351 120.351 116.959 3.392 19213 3092 1 4 . 1 1 516 516 LYS HA H 516 4.715 4.715 4.397 0.318 19213 3093 1 4 . 1 1 516 516 LYS C C 516 175.486 175.486 175.932 -0.446 19213 3094 1 4 . 1 1 516 516 LYS CA C 516 54.831 54.831 56.307 -1.476 19213 3095 1 4 . 1 1 516 516 LYS CB C 516 33.581 33.581 33.938 -0.357 19213 3096 1 4 . 1 1 516 516 LYS H H 516 7.634 7.634 8.306 -0.672 19213 3097 1 4 . 1 1 517 517 ALA N N 517 122.264 122.264 122.313 -0.049 19213 3098 1 4 . 1 1 517 517 ALA HA H 517 4.561 4.561 4.513 0.048 19213 3099 1 4 . 1 1 517 517 ALA C C 517 176.799 176.799 176.465 0.334 19213 3100 1 4 . 1 1 517 517 ALA CA C 517 51.980 51.980 51.921 0.059 19213 3101 1 4 . 1 1 517 517 ALA CB C 517 20.779 20.779 19.744 1.035 19213 3102 1 4 . 1 1 517 517 ALA H H 517 7.552 7.552 7.124 0.428 19213 3103 1 4 . 1 1 518 518 GLY N N 518 110.102 110.102 112.041 -1.939 19213 3104 1 4 . 1 1 518 518 GLY C C 518 175.260 175.260 175.273 -0.013 19213 3105 1 4 . 1 1 518 518 GLY CA C 518 46.252 46.252 44.540 1.712 19213 3106 1 4 . 1 1 518 518 GLY H H 518 8.499 8.499 8.520 -0.021 19213 3107 1 4 . 1 1 519 519 LEU N N 519 120.980 120.980 120.815 0.165 19213 3108 1 4 . 1 1 519 519 LEU HA H 519 4.285 4.285 4.132 0.153 19213 3109 1 4 . 1 1 519 519 LEU C C 519 176.687 176.687 177.049 -0.362 19213 3110 1 4 . 1 1 519 519 LEU CA C 519 54.291 54.291 54.910 -0.619 19213 3111 1 4 . 1 1 519 519 LEU CB C 519 42.942 42.942 39.410 3.532 19213 3112 1 4 . 1 1 519 519 LEU H H 519 8.418 8.418 8.468 -0.050 19213 3113 1 4 . 1 1 520 520 THR N N 520 107.429 107.429 116.163 -8.734 19213 3114 1 4 . 1 1 520 520 THR HA H 520 4.420 4.420 4.250 0.170 19213 3115 1 4 . 1 1 520 520 THR CA C 520 60.231 60.231 62.180 -1.949 19213 3116 1 4 . 1 1 520 520 THR CB C 520 71.205 71.205 69.625 1.580 19213 3117 1 4 . 1 1 520 520 THR H H 520 6.149 6.149 7.976 -1.827 19213 3118 1 4 . 1 1 521 521 GLU N N 521 118.700 118.700 119.797 -1.097 19213 3119 1 4 . 1 1 521 521 GLU HA H 521 4.173 4.173 4.330 -0.157 19213 3120 1 4 . 1 1 521 521 GLU C C 521 176.567 176.567 178.587 -2.020 19213 3121 1 4 . 1 1 521 521 GLU CA C 521 57.220 57.220 57.699 -0.479 19213 3122 1 4 . 1 1 521 521 GLU CB C 521 30.353 30.353 29.723 0.630 19213 3123 1 4 . 1 1 521 521 GLU H H 521 7.290 7.290 8.769 -1.479 19213 3124 1 4 . 1 1 522 522 CYS N N 522 121.185 121.185 117.181 4.004 19213 3125 1 4 . 1 1 522 522 CYS HA H 522 4.139 4.139 4.419 -0.280 19213 3126 1 4 . 1 1 522 522 CYS C C 522 177.769 177.769 177.271 0.498 19213 3127 1 4 . 1 1 522 522 CYS CA C 522 61.379 61.379 61.132 0.248 19213 3128 1 4 . 1 1 522 522 CYS CB C 522 32.851 32.851 26.397 6.454 19213 3129 1 4 . 1 1 522 522 CYS H H 522 8.218 8.218 8.445 -0.227 19213 3130 1 4 . 1 1 523 523 HIS N N 523 117.000 117.000 121.901 -4.901 19213 3131 1 4 . 1 1 523 523 HIS HA H 523 3.796 3.796 4.142 -0.346 19213 3132 1 4 . 1 1 523 523 HIS C C 523 177.832 177.832 177.030 0.802 19213 3133 1 4 . 1 1 523 523 HIS CA C 523 59.058 59.058 60.004 -0.946 19213 3134 1 4 . 1 1 523 523 HIS CB C 523 28.841 28.841 29.584 -0.743 19213 3135 1 4 . 1 1 523 523 HIS H H 523 7.333 7.333 8.211 -0.878 19213 3136 1 4 . 1 1 524 524 LEU N N 524 117.403 117.403 118.016 -0.613 19213 3137 1 4 . 1 1 524 524 LEU HA H 524 3.792 3.792 3.525 0.267 19213 3138 1 4 . 1 1 524 524 LEU C C 524 180.184 180.184 178.667 1.517 19213 3139 1 4 . 1 1 524 524 LEU CA C 524 58.223 58.223 57.986 0.237 19213 3140 1 4 . 1 1 524 524 LEU CB C 524 41.482 41.482 41.225 0.257 19213 3141 1 4 . 1 1 524 524 LEU H H 524 8.582 8.582 8.491 0.091 19213 3142 1 4 . 1 1 525 525 ASN N N 525 118.149 118.149 115.416 2.733 19213 3143 1 4 . 1 1 525 525 ASN HA H 525 4.534 4.534 4.532 0.002 19213 3144 1 4 . 1 1 525 525 ASN C C 525 177.023 177.023 176.352 0.671 19213 3145 1 4 . 1 1 525 525 ASN CA C 525 55.784 55.784 55.322 0.462 19213 3146 1 4 . 1 1 525 525 ASN CB C 525 38.017 38.017 38.072 -0.055 19213 3147 1 4 . 1 1 525 525 ASN H H 525 9.226 9.226 7.850 1.376 19213 3148 1 4 . 1 1 526 526 GLN N N 526 115.619 115.619 118.799 -3.180 19213 3149 1 4 . 1 1 526 526 GLN HA H 526 4.358 4.358 4.209 0.149 19213 3150 1 4 . 1 1 526 526 GLN C C 526 175.801 175.801 176.978 -1.177 19213 3151 1 4 . 1 1 526 526 GLN CA C 526 57.008 57.008 58.168 -1.160 19213 3152 1 4 . 1 1 526 526 GLN CB C 526 28.586 28.586 29.385 -0.799 19213 3153 1 4 . 1 1 526 526 GLN H H 526 7.290 7.290 7.574 -0.283 19213 3154 1 4 . 1 1 527 527 LEU N N 527 115.651 115.651 119.092 -3.441 19213 3155 1 4 . 1 1 527 527 LEU HA H 527 4.130 4.130 4.216 -0.086 19213 3156 1 4 . 1 1 527 527 LEU C C 527 178.587 178.587 178.453 0.134 19213 3157 1 4 . 1 1 527 527 LEU CA C 527 55.568 55.568 56.127 -0.558 19213 3158 1 4 . 1 1 527 527 LEU CB C 527 42.148 42.148 41.924 0.224 19213 3159 1 4 . 1 1 527 527 LEU H H 527 6.944 6.944 7.815 -0.871 19213 3160 1 4 . 1 1 528 528 ARG N N 528 121.110 121.110 120.584 0.526 19213 3161 1 4 . 1 1 528 528 ARG HA H 528 4.310 4.310 3.981 0.329 19213 3162 1 4 . 1 1 528 528 ARG CA C 528 61.278 61.278 61.935 -0.657 19213 3163 1 4 . 1 1 528 528 ARG CB C 528 28.800 28.800 27.855 0.945 19213 3164 1 4 . 1 1 528 528 ARG H H 528 8.246 8.246 8.240 0.006 19213 3165 1 4 . 1 1 529 529 PRO HA H 529 4.432 4.432 4.242 0.190 19213 3166 1 4 . 1 1 529 529 PRO C C 529 177.119 177.119 177.286 -0.167 19213 3167 1 4 . 1 1 529 529 PRO CA C 529 65.500 65.500 65.169 0.331 19213 3168 1 4 . 1 1 529 529 PRO CB C 529 31.079 31.079 31.219 -0.140 19213 3169 1 4 . 1 1 530 530 LEU N N 530 113.140 113.140 116.175 -3.035 19213 3170 1 4 . 1 1 530 530 LEU HA H 530 4.186 4.186 4.406 -0.220 19213 3171 1 4 . 1 1 530 530 LEU C C 530 176.839 176.839 177.067 -0.228 19213 3172 1 4 . 1 1 530 530 LEU CA C 530 54.360 54.360 54.594 -0.234 19213 3173 1 4 . 1 1 530 530 LEU CB C 530 42.962 42.962 42.196 0.766 19213 3174 1 4 . 1 1 530 530 LEU H H 530 6.908 6.908 7.460 -0.552 19213 3175 1 4 . 1 1 531 531 LYS N N 531 114.250 114.250 115.961 -1.711 19213 3176 1 4 . 1 1 531 531 LYS HA H 531 3.881 3.881 3.966 -0.085 19213 3177 1 4 . 1 1 531 531 LYS C C 531 173.063 173.063 175.574 -2.511 19213 3178 1 4 . 1 1 531 531 LYS CA C 531 57.573 57.573 56.747 0.826 19213 3179 1 4 . 1 1 531 531 LYS CB C 531 28.802 28.802 30.596 -1.794 19213 3180 1 4 . 1 1 531 531 LYS H H 531 8.120 8.120 7.832 0.288 19213 3181 1 4 . 1 1 532 532 VAL N N 532 115.759 115.759 119.169 -3.410 19213 3182 1 4 . 1 1 532 532 VAL HA H 532 3.000 3.000 3.802 -0.802 19213 3183 1 4 . 1 1 532 532 VAL C C 532 174.337 174.337 176.050 -1.713 19213 3184 1 4 . 1 1 532 532 VAL CA C 532 64.525 64.525 63.793 0.732 19213 3185 1 4 . 1 1 532 532 VAL CB C 532 32.785 32.785 30.960 1.825 19213 3186 1 4 . 1 1 532 532 VAL H H 532 6.477 6.477 7.422 -0.945 19213 3187 1 4 . 1 1 533 533 ARG N N 533 123.594 123.594 128.401 -4.807 19213 3188 1 4 . 1 1 533 533 ARG HA H 533 4.457 4.457 4.653 -0.196 19213 3189 1 4 . 1 1 533 533 ARG C C 533 173.662 173.662 174.516 -0.854 19213 3190 1 4 . 1 1 533 533 ARG CA C 533 53.844 53.844 55.136 -1.292 19213 3191 1 4 . 1 1 533 533 ARG CB C 533 31.242 31.242 30.357 0.885 19213 3192 1 4 . 1 1 533 533 ARG H H 533 8.917 8.917 8.041 0.876 19213 3193 1 4 . 1 1 534 534 ALA N N 534 123.107 123.107 122.625 0.482 19213 3194 1 4 . 1 1 534 534 ALA HA H 534 4.663 4.663 5.108 -0.445 19213 3195 1 4 . 1 1 534 534 ALA C C 534 176.608 176.608 174.940 1.668 19213 3196 1 4 . 1 1 534 534 ALA CA C 534 51.456 51.456 51.941 -0.485 19213 3197 1 4 . 1 1 534 534 ALA CB C 534 25.134 25.134 20.968 4.166 19213 3198 1 4 . 1 1 534 534 ALA H H 534 8.338 8.338 7.761 0.577 19213 3199 1 4 . 1 1 535 535 ASN N N 535 117.841 117.841 117.136 0.705 19213 3200 1 4 . 1 1 535 535 ASN HA H 535 6.000 6.000 4.966 1.034 19213 3201 1 4 . 1 1 535 535 ASN C C 535 170.841 170.841 173.148 -2.307 19213 3202 1 4 . 1 1 535 535 ASN CA C 535 52.258 52.258 53.708 -1.450 19213 3203 1 4 . 1 1 535 535 ASN CB C 535 42.060 42.060 40.775 1.285 19213 3204 1 4 . 1 1 535 535 ASN H H 535 9.052 9.052 8.700 0.352 19213 3205 1 4 . 1 1 536 536 LEU N N 536 123.199 123.199 127.673 -4.474 19213 3206 1 4 . 1 1 536 536 LEU HA H 536 4.667 4.667 4.795 -0.128 19213 3207 1 4 . 1 1 536 536 LEU C C 536 173.345 173.345 173.567 -0.222 19213 3208 1 4 . 1 1 536 536 LEU CA C 536 54.258 54.258 53.206 1.052 19213 3209 1 4 . 1 1 536 536 LEU CB C 536 43.282 43.282 45.006 -1.724 19213 3210 1 4 . 1 1 536 536 LEU H H 536 8.163 8.163 7.688 0.475 19213 3211 1 4 . 1 1 537 537 VAL N N 537 128.390 128.390 123.724 4.666 19213 3212 1 4 . 1 1 537 537 VAL HA H 537 4.428 4.428 4.455 -0.027 19213 3213 1 4 . 1 1 537 537 VAL C C 537 174.411 174.411 173.609 0.802 19213 3214 1 4 . 1 1 537 537 VAL CA C 537 62.112 62.112 59.853 2.259 19213 3215 1 4 . 1 1 537 537 VAL CB C 537 34.747 34.747 33.485 1.262 19213 3216 1 4 . 1 1 537 537 VAL H H 537 8.881 8.881 7.817 1.064 19213 3217 1 4 . 1 1 538 538 VAL N N 538 118.758 118.758 126.156 -7.398 19213 3218 1 4 . 1 1 538 538 VAL HA H 538 5.360 5.360 4.432 0.928 19213 3219 1 4 . 1 1 538 538 VAL CA C 538 56.783 56.783 58.593 -1.810 19213 3220 1 4 . 1 1 538 538 VAL CB C 538 33.069 33.069 33.474 -0.405 19213 3221 1 4 . 1 1 538 538 VAL H H 538 8.456 8.456 8.054 0.402 19213 3222 1 4 . 1 1 539 539 PRO HA H 539 4.832 4.832 4.542 0.290 19213 3223 1 4 . 1 1 539 539 PRO C C 539 175.835 175.835 175.794 0.041 19213 3224 1 4 . 1 1 539 539 PRO CA C 539 62.909 62.909 63.463 -0.554 19213 3225 1 4 . 1 1 539 539 PRO CB C 539 34.483 34.483 31.944 2.539 19213 3226 1 4 . 1 1 540 540 MET N N 540 116.774 116.774 124.217 -7.443 19213 3227 1 4 . 1 1 540 540 MET HA H 540 4.372 4.372 4.840 -0.468 19213 3228 1 4 . 1 1 540 540 MET C C 540 173.982 173.982 174.836 -0.854 19213 3229 1 4 . 1 1 540 540 MET CA C 540 55.763 55.763 53.601 2.162 19213 3230 1 4 . 1 1 540 540 MET CB C 540 35.394 35.394 34.247 1.147 19213 3231 1 4 . 1 1 540 540 MET H H 540 8.212 8.212 8.200 0.012 19213 3232 1 4 . 1 1 541 541 VAL N N 541 127.382 127.382 125.094 2.288 19213 3233 1 4 . 1 1 541 541 VAL HA H 541 4.851 4.851 4.786 0.065 19213 3234 1 4 . 1 1 541 541 VAL C C 541 174.789 174.789 174.799 -0.010 19213 3235 1 4 . 1 1 541 541 VAL CA C 541 61.847 61.847 61.316 0.531 19213 3236 1 4 . 1 1 541 541 VAL CB C 541 33.092 33.092 33.475 -0.383 19213 3237 1 4 . 1 1 541 541 VAL H H 541 8.342 8.342 8.697 -0.355 19213 3238 1 4 . 1 1 542 542 ILE N N 542 126.100 126.100 125.819 0.281 19213 3239 1 4 . 1 1 542 542 ILE HA H 542 4.225 4.225 4.382 -0.157 19213 3240 1 4 . 1 1 542 542 ILE C C 542 176.127 176.127 175.819 0.308 19213 3241 1 4 . 1 1 542 542 ILE CA C 542 60.535 60.535 59.782 0.753 19213 3242 1 4 . 1 1 542 542 ILE CB C 542 41.569 41.569 41.255 0.314 19213 3243 1 4 . 1 1 542 542 ILE H H 542 8.687 8.687 9.069 -0.382 19213 3244 1 4 . 1 1 543 543 ASP N N 543 132.060 132.060 127.905 4.155 19213 3245 1 4 . 1 1 543 543 ASP HA H 543 4.203 4.203 4.319 -0.116 19213 3246 1 4 . 1 1 543 543 ASP C C 543 175.231 175.231 175.233 -0.002 19213 3247 1 4 . 1 1 543 543 ASP CA C 543 55.725 55.725 55.595 0.130 19213 3248 1 4 . 1 1 543 543 ASP CB C 543 39.705 39.705 39.857 -0.152 19213 3249 1 4 . 1 1 543 543 ASP H H 543 10.386 10.386 9.009 1.377 19213 3250 1 4 . 1 1 544 544 ASP N N 544 111.355 111.355 110.088 1.267 19213 3251 1 4 . 1 1 544 544 ASP HA H 544 4.109 4.109 4.215 -0.106 19213 3252 1 4 . 1 1 544 544 ASP C C 544 174.479 174.479 174.750 -0.271 19213 3253 1 4 . 1 1 544 544 ASP CA C 544 55.744 55.744 55.452 0.292 19213 3254 1 4 . 1 1 544 544 ASP CB C 544 41.048 41.048 39.315 1.733 19213 3255 1 4 . 1 1 544 544 ASP H H 544 8.812 8.812 8.726 0.086 19213 3256 1 4 . 1 1 545 545 GLN N N 545 117.226 117.226 116.975 0.251 19213 3257 1 4 . 1 1 545 545 GLN HA H 545 4.582 4.582 4.659 -0.077 19213 3258 1 4 . 1 1 545 545 GLN C C 545 174.762 174.762 174.668 0.094 19213 3259 1 4 . 1 1 545 545 GLN CA C 545 53.703 53.703 54.090 -0.387 19213 3260 1 4 . 1 1 545 545 GLN CB C 545 31.687 31.687 32.222 -0.535 19213 3261 1 4 . 1 1 545 545 GLN H H 545 7.884 7.884 8.526 -0.642 19213 3262 1 4 . 1 1 546 546 LEU N N 546 123.783 123.783 127.852 -4.069 19213 3263 1 4 . 1 1 546 546 LEU HA H 546 4.590 4.590 4.456 0.134 19213 3264 1 4 . 1 1 546 546 LEU C C 546 174.041 174.041 176.283 -2.242 19213 3265 1 4 . 1 1 546 546 LEU CA C 546 55.029 55.029 55.536 -0.507 19213 3266 1 4 . 1 1 546 546 LEU CB C 546 42.361 42.361 41.157 1.204 19213 3267 1 4 . 1 1 546 546 LEU H H 546 9.175 9.175 8.801 0.374 19213 3268 1 4 . 1 1 547 547 PHE N N 547 132.161 132.161 125.052 7.109 19213 3269 1 4 . 1 1 547 547 PHE HA H 547 4.564 4.564 4.639 -0.075 19213 3270 1 4 . 1 1 547 547 PHE C C 547 176.063 176.063 174.796 1.267 19213 3271 1 4 . 1 1 547 547 PHE CA C 547 59.445 59.445 58.248 1.197 19213 3272 1 4 . 1 1 547 547 PHE CB C 547 41.069 41.069 40.691 0.378 19213 3273 1 4 . 1 1 547 547 PHE H H 547 8.925 8.925 8.122 0.803 19213 3274 1 4 . 1 1 548 548 GLY N N 548 103.713 103.713 104.061 -0.348 19213 3275 1 4 . 1 1 548 548 GLY C C 548 169.176 169.176 170.975 -1.799 19213 3276 1 4 . 1 1 548 548 GLY CA C 548 45.906 45.906 44.434 1.472 19213 3277 1 4 . 1 1 548 548 GLY H H 548 8.025 8.025 7.268 0.757 19213 3278 1 4 . 1 1 549 549 LEU N N 549 117.457 117.457 119.051 -1.594 19213 3279 1 4 . 1 1 549 549 LEU HA H 549 4.872 4.872 4.804 0.068 19213 3280 1 4 . 1 1 549 549 LEU C C 549 174.008 174.008 173.651 0.357 19213 3281 1 4 . 1 1 549 549 LEU CA C 549 52.697 52.697 54.489 -1.792 19213 3282 1 4 . 1 1 549 549 LEU CB C 549 44.641 44.641 46.720 -2.079 19213 3283 1 4 . 1 1 549 549 LEU H H 549 8.738 8.738 7.405 1.333 19213 3284 1 4 . 1 1 550 550 LEU N N 550 127.533 127.533 127.497 0.036 19213 3285 1 4 . 1 1 550 550 LEU HA H 550 4.920 4.920 4.612 0.308 19213 3286 1 4 . 1 1 550 550 LEU C C 550 175.162 175.162 174.800 0.362 19213 3287 1 4 . 1 1 550 550 LEU CA C 550 53.922 53.922 53.590 0.332 19213 3288 1 4 . 1 1 550 550 LEU CB C 550 42.857 42.857 43.330 -0.473 19213 3289 1 4 . 1 1 550 550 LEU H H 550 9.078 9.078 7.819 1.259 19213 3290 1 4 . 1 1 551 551 ILE N N 551 123.427 123.427 122.821 0.606 19213 3291 1 4 . 1 1 551 551 ILE HA H 551 5.332 5.332 5.155 0.177 19213 3292 1 4 . 1 1 551 551 ILE C C 551 174.056 174.056 173.948 0.108 19213 3293 1 4 . 1 1 551 551 ILE CA C 551 59.702 59.702 58.519 1.183 19213 3294 1 4 . 1 1 551 551 ILE CB C 551 41.568 41.568 40.359 1.209 19213 3295 1 4 . 1 1 551 551 ILE H H 551 8.382 8.382 7.887 0.495 19213 3296 1 4 . 1 1 552 552 ALA N N 552 129.153 129.153 127.065 2.088 19213 3297 1 4 . 1 1 552 552 ALA HA H 552 5.130 5.130 4.272 0.858 19213 3298 1 4 . 1 1 552 552 ALA C C 552 176.892 176.892 174.506 2.386 19213 3299 1 4 . 1 1 552 552 ALA CA C 552 49.481 49.481 50.119 -0.638 19213 3300 1 4 . 1 1 552 552 ALA CB C 552 22.936 22.936 21.640 1.296 19213 3301 1 4 . 1 1 552 552 ALA H H 552 9.245 9.245 7.447 1.798 19213 3302 1 4 . 1 1 553 553 HIS N N 553 117.481 117.481 117.676 -0.195 19213 3303 1 4 . 1 1 553 553 HIS HA H 553 5.879 5.879 4.667 1.212 19213 3304 1 4 . 1 1 553 553 HIS C C 553 175.709 175.709 173.646 2.063 19213 3305 1 4 . 1 1 553 553 HIS CA C 553 52.575 52.575 55.419 -2.844 19213 3306 1 4 . 1 1 553 553 HIS CB C 553 36.391 36.391 33.548 2.843 19213 3307 1 4 . 1 1 553 553 HIS H H 553 9.584 9.584 8.332 1.252 19213 3308 1 4 . 1 1 554 554 GLN N N 554 125.534 125.534 120.926 4.608 19213 3309 1 4 . 1 1 554 554 GLN HA H 554 4.604 4.604 4.526 0.078 19213 3310 1 4 . 1 1 554 554 GLN C C 554 174.647 174.647 175.854 -1.207 19213 3311 1 4 . 1 1 554 554 GLN CA C 554 55.753 55.753 55.091 0.662 19213 3312 1 4 . 1 1 554 554 GLN CB C 554 30.350 30.350 28.989 1.361 19213 3313 1 4 . 1 1 554 554 GLN H H 554 9.240 9.240 8.879 0.361 19213 3314 1 4 . 1 1 555 555 ALA N N 555 135.281 135.281 128.963 6.318 19213 3315 1 4 . 1 1 555 555 ALA HA H 555 4.543 4.543 4.179 0.364 19213 3316 1 4 . 1 1 555 555 ALA C C 555 177.707 177.707 177.126 0.581 19213 3317 1 4 . 1 1 555 555 ALA CA C 555 53.062 53.062 53.252 -0.190 19213 3318 1 4 . 1 1 555 555 ALA CB C 555 19.238 19.238 17.771 1.467 19213 3319 1 4 . 1 1 555 555 ALA H H 555 11.446 11.446 8.546 2.900 19213 3320 1 4 . 1 1 556 556 SER N N 556 110.784 110.784 113.287 -2.503 19213 3321 1 4 . 1 1 556 556 SER HA H 556 4.190 4.190 4.568 -0.378 19213 3322 1 4 . 1 1 556 556 SER C C 556 174.538 174.538 175.198 -0.660 19213 3323 1 4 . 1 1 556 556 SER CA C 556 60.691 60.691 59.020 1.671 19213 3324 1 4 . 1 1 556 556 SER CB C 556 63.729 63.729 64.681 -0.952 19213 3325 1 4 . 1 1 556 556 SER H H 556 8.106 8.106 7.533 0.573 19213 3326 1 4 . 1 1 557 557 GLU N N 557 118.812 118.812 119.960 -1.148 19213 3327 1 4 . 1 1 557 557 GLU CA C 557 53.779 53.779 53.400 0.379 19213 3328 1 4 . 1 1 557 557 GLU CB C 557 30.585 30.585 32.502 -1.917 19213 3329 1 4 . 1 1 557 557 GLU H H 557 7.380 7.380 8.313 -0.933 19213 3330 1 4 . 1 1 558 558 PRO HA H 558 4.290 4.290 4.672 -0.382 19213 3331 1 4 . 1 1 558 558 PRO C C 558 175.238 175.238 176.268 -1.030 19213 3332 1 4 . 1 1 558 558 PRO CA C 558 62.733 62.733 63.247 -0.514 19213 3333 1 4 . 1 1 558 558 PRO CB C 558 32.892 32.892 32.279 0.613 19213 3334 1 4 . 1 1 559 559 ARG N N 559 121.705 121.705 119.043 2.662 19213 3335 1 4 . 1 1 559 559 ARG HA H 559 3.949 3.949 4.441 -0.492 19213 3336 1 4 . 1 1 559 559 ARG C C 559 171.339 171.339 173.441 -2.102 19213 3337 1 4 . 1 1 559 559 ARG CA C 559 55.522 55.522 55.174 0.348 19213 3338 1 4 . 1 1 559 559 ARG CB C 559 33.266 33.266 33.258 0.008 19213 3339 1 4 . 1 1 559 559 ARG H H 559 8.106 8.106 8.432 -0.326 19213 3340 1 4 . 1 1 560 560 GLN N N 560 125.611 125.611 122.241 3.370 19213 3341 1 4 . 1 1 560 560 GLN HA H 560 4.386 4.386 3.740 0.646 19213 3342 1 4 . 1 1 560 560 GLN C C 560 175.691 175.691 174.388 1.303 19213 3343 1 4 . 1 1 560 560 GLN CA C 560 53.655 53.655 54.631 -0.976 19213 3344 1 4 . 1 1 560 560 GLN CB C 560 27.650 27.650 29.013 -1.363 19213 3345 1 4 . 1 1 560 560 GLN H H 560 8.295 8.295 8.484 -0.189 19213 3346 1 4 . 1 1 561 561 TRP N N 561 132.619 132.619 127.405 5.214 19213 3347 1 4 . 1 1 561 561 TRP HA H 561 4.449 4.449 4.725 -0.276 19213 3348 1 4 . 1 1 561 561 TRP C C 561 176.089 176.089 175.936 0.153 19213 3349 1 4 . 1 1 561 561 TRP CA C 561 56.370 56.370 56.141 0.229 19213 3350 1 4 . 1 1 561 561 TRP CB C 561 28.641 28.641 29.207 -0.566 19213 3351 1 4 . 1 1 561 561 TRP H H 561 7.899 7.899 7.121 0.778 19213 3352 1 4 . 1 1 562 562 GLN N N 562 124.398 124.398 124.152 0.246 19213 3353 1 4 . 1 1 562 562 GLN HA H 562 4.465 4.465 4.217 0.248 19213 3354 1 4 . 1 1 562 562 GLN C C 562 177.060 177.060 177.242 -0.182 19213 3355 1 4 . 1 1 562 562 GLN CA C 562 54.712 54.712 55.728 -1.016 19213 3356 1 4 . 1 1 562 562 GLN CB C 562 30.536 30.536 29.593 0.943 19213 3357 1 4 . 1 1 562 562 GLN H H 562 9.714 9.714 8.568 1.146 19213 3358 1 4 . 1 1 563 563 GLU N N 563 124.299 124.299 121.410 2.889 19213 3359 1 4 . 1 1 563 563 GLU HA H 563 3.913 3.913 4.070 -0.157 19213 3360 1 4 . 1 1 563 563 GLU C C 563 178.669 178.669 178.588 0.081 19213 3361 1 4 . 1 1 563 563 GLU CA C 563 61.261 61.261 59.448 1.813 19213 3362 1 4 . 1 1 563 563 GLU CB C 563 29.246 29.246 29.190 0.056 19213 3363 1 4 . 1 1 563 563 GLU H H 563 9.197 9.197 8.986 0.211 19213 3364 1 4 . 1 1 564 564 ILE N N 564 115.325 115.325 119.005 -3.680 19213 3365 1 4 . 1 1 564 564 ILE HA H 564 4.217 4.217 3.852 0.365 19213 3366 1 4 . 1 1 564 564 ILE C C 564 177.495 177.495 178.173 -0.678 19213 3367 1 4 . 1 1 564 564 ILE CA C 564 63.396 63.396 64.751 -1.355 19213 3368 1 4 . 1 1 564 564 ILE CB C 564 37.815 37.815 37.475 0.340 19213 3369 1 4 . 1 1 564 564 ILE H H 564 8.482 8.482 8.114 0.368 19213 3370 1 4 . 1 1 565 565 GLU N N 565 121.151 121.151 119.723 1.428 19213 3371 1 4 . 1 1 565 565 GLU HA H 565 4.014 4.014 4.037 -0.023 19213 3372 1 4 . 1 1 565 565 GLU C C 565 178.136 178.136 179.103 -0.967 19213 3373 1 4 . 1 1 565 565 GLU CA C 565 58.734 58.734 59.620 -0.886 19213 3374 1 4 . 1 1 565 565 GLU CB C 565 29.617 29.617 28.936 0.682 19213 3375 1 4 . 1 1 565 565 GLU H H 565 6.700 6.700 7.676 -0.976 19213 3376 1 4 . 1 1 566 566 ILE N N 566 119.835 119.835 120.986 -1.151 19213 3377 1 4 . 1 1 566 566 ILE HA H 566 3.450 3.450 3.894 -0.444 19213 3378 1 4 . 1 1 566 566 ILE C C 566 178.664 178.664 177.800 0.864 19213 3379 1 4 . 1 1 566 566 ILE CA C 566 66.463 66.463 65.706 0.757 19213 3380 1 4 . 1 1 566 566 ILE CB C 566 38.360 38.360 37.754 0.606 19213 3381 1 4 . 1 1 566 566 ILE H H 566 8.122 8.122 7.664 0.458 19213 3382 1 4 . 1 1 567 567 ASP N N 567 120.402 120.402 120.370 0.032 19213 3383 1 4 . 1 1 567 567 ASP HA H 567 4.372 4.372 4.351 0.021 19213 3384 1 4 . 1 1 567 567 ASP C C 567 179.395 179.395 179.147 0.248 19213 3385 1 4 . 1 1 567 567 ASP CA C 567 57.846 57.846 57.584 0.262 19213 3386 1 4 . 1 1 567 567 ASP CB C 567 40.610 40.610 39.893 0.717 19213 3387 1 4 . 1 1 567 567 ASP H H 567 8.503 8.503 8.034 0.469 19213 3388 1 4 . 1 1 568 568 GLN N N 568 118.044 118.044 119.068 -1.024 19213 3389 1 4 . 1 1 568 568 GLN HA H 568 4.147 4.147 4.060 0.087 19213 3390 1 4 . 1 1 568 568 GLN C C 568 179.163 179.163 178.553 0.610 19213 3391 1 4 . 1 1 568 568 GLN CA C 568 59.243 59.243 58.463 0.780 19213 3392 1 4 . 1 1 568 568 GLN CB C 568 29.668 29.668 28.206 1.462 19213 3393 1 4 . 1 1 568 568 GLN H H 568 8.273 8.273 7.892 0.381 19213 3394 1 4 . 1 1 569 569 PHE N N 569 124.363 124.363 120.194 4.169 19213 3395 1 4 . 1 1 569 569 PHE HA H 569 4.303 4.303 4.129 0.174 19213 3396 1 4 . 1 1 569 569 PHE C C 569 177.052 177.052 177.903 -0.851 19213 3397 1 4 . 1 1 569 569 PHE CA C 569 61.230 61.230 61.609 -0.379 19213 3398 1 4 . 1 1 569 569 PHE CB C 569 40.614 40.614 38.494 2.120 19213 3399 1 4 . 1 1 569 569 PHE H H 569 8.962 8.962 8.130 0.832 19213 3400 1 4 . 1 1 570 570 SER N N 570 113.474 113.474 115.602 -2.128 19213 3401 1 4 . 1 1 570 570 SER HA H 570 4.353 4.353 4.138 0.215 19213 3402 1 4 . 1 1 570 570 SER C C 570 177.332 177.332 176.857 0.475 19213 3403 1 4 . 1 1 570 570 SER CA C 570 61.727 61.727 62.506 -0.779 19213 3404 1 4 . 1 1 570 570 SER CB C 570 62.752 62.752 62.586 0.166 19213 3405 1 4 . 1 1 570 570 SER H H 570 8.880 8.880 8.544 0.336 19213 3406 1 4 . 1 1 571 571 GLU N N 571 122.935 122.935 122.271 0.664 19213 3407 1 4 . 1 1 571 571 GLU HA H 571 4.151 4.151 4.146 0.005 19213 3408 1 4 . 1 1 571 571 GLU C C 571 178.900 178.900 179.364 -0.464 19213 3409 1 4 . 1 1 571 571 GLU CA C 571 59.404 59.404 58.694 0.710 19213 3410 1 4 . 1 1 571 571 GLU CB C 571 29.340 29.340 29.529 -0.189 19213 3411 1 4 . 1 1 571 571 GLU H H 571 8.251 8.251 7.753 0.498 19213 3412 1 4 . 1 1 572 572 LEU N N 572 123.239 123.239 121.487 1.752 19213 3413 1 4 . 1 1 572 572 LEU HA H 572 4.040 4.040 4.064 -0.024 19213 3414 1 4 . 1 1 572 572 LEU C C 572 178.222 178.222 178.723 -0.501 19213 3415 1 4 . 1 1 572 572 LEU CA C 572 58.316 58.316 57.768 0.548 19213 3416 1 4 . 1 1 572 572 LEU CB C 572 41.446 41.446 41.720 -0.274 19213 3417 1 4 . 1 1 572 572 LEU H H 572 7.811 7.811 8.483 -0.672 19213 3418 1 4 . 1 1 573 573 ALA N N 573 120.107 120.107 120.021 0.086 19213 3419 1 4 . 1 1 573 573 ALA HA H 573 3.704 3.704 4.042 -0.338 19213 3420 1 4 . 1 1 573 573 ALA C C 573 180.552 180.552 179.663 0.889 19213 3421 1 4 . 1 1 573 573 ALA CA C 573 55.596 55.596 55.474 0.122 19213 3422 1 4 . 1 1 573 573 ALA CB C 573 19.404 19.404 18.320 1.084 19213 3423 1 4 . 1 1 573 573 ALA H H 573 7.636 7.636 8.820 -1.184 19213 3424 1 4 . 1 1 574 574 SER N N 574 116.333 116.333 113.145 3.188 19213 3425 1 4 . 1 1 574 574 SER HA H 574 4.415 4.415 4.248 0.167 19213 3426 1 4 . 1 1 574 574 SER C C 574 177.418 177.418 176.463 0.955 19213 3427 1 4 . 1 1 574 574 SER CA C 574 61.750 61.750 61.126 0.624 19213 3428 1 4 . 1 1 574 574 SER CB C 574 62.688 62.688 62.533 0.154 19213 3429 1 4 . 1 1 574 574 SER H H 574 8.675 8.675 8.582 0.093 19213 3430 1 4 . 1 1 575 575 THR N N 575 120.659 120.659 119.204 1.455 19213 3431 1 4 . 1 1 575 575 THR HA H 575 4.001 4.001 3.966 0.035 19213 3432 1 4 . 1 1 575 575 THR C C 575 177.033 177.033 176.808 0.225 19213 3433 1 4 . 1 1 575 575 THR CA C 575 66.835 66.835 67.194 -0.359 19213 3434 1 4 . 1 1 575 575 THR CB C 575 68.384 68.384 68.163 0.221 19213 3435 1 4 . 1 1 575 575 THR H H 575 8.870 8.870 7.671 1.199 19213 3436 1 4 . 1 1 576 576 GLY N N 576 108.168 108.168 109.043 -0.875 19213 3437 1 4 . 1 1 576 576 GLY C C 576 174.221 174.221 175.405 -1.184 19213 3438 1 4 . 1 1 576 576 GLY CA C 576 47.808 47.808 46.948 0.860 19213 3439 1 4 . 1 1 576 576 GLY H H 576 8.687 8.687 7.795 0.892 19213 3440 1 4 . 1 1 577 577 SER N N 577 118.111 118.111 117.767 0.344 19213 3441 1 4 . 1 1 577 577 SER HA H 577 3.889 3.889 3.749 0.140 19213 3442 1 4 . 1 1 577 577 SER C C 577 174.830 174.830 176.565 -1.735 19213 3443 1 4 . 1 1 577 577 SER CA C 577 63.606 63.606 61.451 2.155 19213 3444 1 4 . 1 1 577 577 SER CB C 577 62.564 62.564 62.927 -0.363 19213 3445 1 4 . 1 1 577 577 SER H H 577 8.314 8.314 7.488 0.826 19213 3446 1 4 . 1 1 578 578 LEU N N 578 122.532 122.532 121.278 1.254 19213 3447 1 4 . 1 1 578 578 LEU HA H 578 3.785 3.785 4.092 -0.307 19213 3448 1 4 . 1 1 578 578 LEU C C 578 179.351 179.351 179.312 0.039 19213 3449 1 4 . 1 1 578 578 LEU CA C 578 58.109 58.109 57.493 0.616 19213 3450 1 4 . 1 1 578 578 LEU CB C 578 41.837 41.837 41.311 0.526 19213 3451 1 4 . 1 1 578 578 LEU H H 578 7.841 7.841 7.548 0.293 19213 3452 1 4 . 1 1 579 579 VAL N N 579 122.455 122.455 119.122 3.333 19213 3453 1 4 . 1 1 579 579 VAL CA C 579 59.949 59.949 66.253 -6.304 19213 3454 1 4 . 1 1 579 579 VAL CB C 579 31.167 31.167 31.141 0.026 19213 3455 1 4 . 1 1 579 579 VAL H H 579 8.789 8.789 7.143 1.646 19213 3456 1 4 . 1 1 582 582 ARG HA H 582 3.694 3.694 4.216 -0.522 19213 3457 1 4 . 1 1 582 582 ARG C C 582 170.822 170.822 179.246 -8.424 19213 3458 1 4 . 1 1 582 582 ARG CA C 582 58.211 58.211 58.865 -0.654 19213 3459 1 4 . 1 1 582 582 ARG CB C 582 30.031 30.031 30.362 -0.331 19213 3460 1 4 . 1 1 583 583 LEU N N 583 118.579 118.579 119.482 -0.903 19213 3461 1 4 . 1 1 583 583 LEU CA C 583 58.995 58.995 57.715 1.280 19213 3462 1 4 . 1 1 583 583 LEU CB C 583 42.668 42.668 41.901 0.767 19213 3463 1 4 . 1 1 583 583 LEU H H 583 7.100 7.100 8.283 -1.183 19213 3464 1 4 . 1 1 585 585 PHE C C 585 176.850 176.850 174.663 2.187 19213 3465 1 4 . 1 1 585 585 PHE CA C 585 54.882 54.882 57.951 -3.069 19213 3466 1 4 . 1 1 585 585 PHE CB C 585 41.019 41.019 39.873 1.145 19213 3467 1 4 . 1 1 586 586 LEU N N 586 122.944 122.944 123.303 -0.359 19213 3468 1 4 . 1 1 586 586 LEU CA C 586 55.891 55.891 56.544 -0.653 19213 3469 1 4 . 1 1 586 586 LEU CB C 586 42.021 42.021 42.882 -0.861 19213 3470 1 4 . 1 1 586 586 LEU H H 586 8.147 8.147 8.482 -0.335 19213 3471 1 4 . 1 1 587 587 GLU HA H 587 4.213 4.213 4.035 0.178 19213 3472 1 4 . 1 1 587 587 GLU C C 587 176.917 176.917 176.018 0.899 19213 3473 1 4 . 1 1 587 587 GLU CA C 587 57.437 57.437 57.500 -0.063 19213 3474 1 4 . 1 1 587 587 GLU CB C 587 30.047 30.047 29.648 0.399 19213 3475 1 4 . 1 1 588 588 GLN N N 588 120.604 120.604 116.782 3.822 19213 3476 1 4 . 1 1 588 588 GLN CA C 588 57.300 57.300 56.180 1.120 19213 3477 1 4 . 1 1 588 588 GLN CB C 588 30.196 30.196 27.430 2.767 19213 3478 1 4 . 1 1 588 588 GLN H H 588 8.402 8.402 8.441 -0.039 19213 3479 1 4 . 1 1 589 589 THR HA H 589 4.167 4.167 4.323 -0.156 19213 3480 1 4 . 1 1 589 589 THR C C 589 174.851 174.851 173.952 0.899 19213 3481 1 4 . 1 1 589 589 THR CA C 589 62.959 62.959 62.753 0.206 19213 3482 1 4 . 1 1 589 589 THR CB C 589 69.693 69.693 68.486 1.207 19213 3483 1 4 . 1 1 590 590 ILE N N 590 123.158 123.158 115.135 8.023 19213 3484 1 4 . 1 1 590 590 ILE CA C 590 61.524 61.524 58.749 2.775 19213 3485 1 4 . 1 1 590 590 ILE CB C 590 38.402 38.402 40.984 -2.582 19213 3486 1 4 . 1 1 590 590 ILE H H 590 8.028 8.028 7.102 0.926 19213 3487 1 4 . 1 1 591 591 ALA HA H 591 4.180 4.180 4.248 -0.068 19213 3488 1 4 . 1 1 591 591 ALA C C 591 178.457 178.457 178.772 -0.315 19213 3489 1 4 . 1 1 591 591 ALA CA C 591 53.569 53.569 53.473 0.096 19213 3490 1 4 . 1 1 591 591 ALA CB C 591 18.733 18.733 18.580 0.153 19213 3491 1 4 . 1 1 592 592 SER N N 592 113.507 113.507 113.660 -0.153 19213 3492 1 4 . 1 1 592 592 SER HA H 592 4.290 4.290 4.199 0.091 19213 3493 1 4 . 1 1 592 592 SER C C 592 174.913 174.913 174.410 0.503 19213 3494 1 4 . 1 1 592 592 SER CA C 592 58.992 58.992 60.449 -1.457 19213 3495 1 4 . 1 1 592 592 SER CB C 592 63.550 63.550 63.280 0.270 19213 3496 1 4 . 1 1 592 592 SER H H 592 7.946 7.946 8.251 -0.305 19213 3497 1 5 . 1 1 430 430 ALA N N 430 132.375 132.375 125.476 6.899 19213 3498 1 5 . 1 1 430 430 ALA CA C 430 51.092 51.092 52.009 -0.917 19213 3499 1 5 . 1 1 430 430 ALA CB C 430 21.474 21.474 20.998 0.476 19213 3500 1 5 . 1 1 430 430 ALA H H 430 8.772 8.772 9.768 -0.996 19213 3501 1 5 . 1 1 431 431 ALA N N 431 117.710 117.710 123.923 -6.213 19213 3502 1 5 . 1 1 431 431 ALA HA H 431 4.346 4.346 4.570 -0.224 19213 3503 1 5 . 1 1 431 431 ALA C C 431 177.537 177.537 175.871 1.666 19213 3504 1 5 . 1 1 431 431 ALA CA C 431 52.341 52.341 51.921 0.420 19213 3505 1 5 . 1 1 431 431 ALA CB C 431 19.209 19.209 20.181 -0.973 19213 3506 1 5 . 1 1 431 431 ALA H H 431 8.180 8.180 8.141 0.039 19213 3507 1 5 . 1 1 432 432 VAL N N 432 120.378 120.378 122.642 -2.264 19213 3508 1 5 . 1 1 432 432 VAL HA H 432 4.045 4.045 4.162 -0.117 19213 3509 1 5 . 1 1 432 432 VAL C C 432 175.692 175.692 176.085 -0.393 19213 3510 1 5 . 1 1 432 432 VAL CA C 432 62.172 62.172 62.058 0.114 19213 3511 1 5 . 1 1 432 432 VAL CB C 432 33.029 33.029 32.335 0.694 19213 3512 1 5 . 1 1 432 432 VAL H H 432 8.191 8.191 8.334 -0.143 19213 3513 1 5 . 1 1 433 433 GLN N N 433 124.398 124.398 125.211 -0.813 19213 3514 1 5 . 1 1 433 433 GLN CA C 433 54.855 54.855 55.678 -0.823 19213 3515 1 5 . 1 1 433 433 GLN CB C 433 29.530 29.530 29.515 0.015 19213 3516 1 5 . 1 1 433 433 GLN H H 433 8.525 8.525 8.438 0.087 19213 3517 1 5 . 1 1 435 435 SER HA H 435 4.074 4.074 4.097 -0.023 19213 3518 1 5 . 1 1 435 435 SER C C 435 178.865 178.865 175.685 3.180 19213 3519 1 5 . 1 1 435 435 SER CA C 435 60.402 60.402 60.153 0.249 19213 3520 1 5 . 1 1 435 435 SER CB C 435 62.858 62.858 62.220 0.638 19213 3521 1 5 . 1 1 436 436 GLU N N 436 119.935 119.935 121.260 -1.325 19213 3522 1 5 . 1 1 436 436 GLU HA H 436 4.309 4.309 4.144 0.165 19213 3523 1 5 . 1 1 436 436 GLU C C 436 176.654 176.654 176.770 -0.116 19213 3524 1 5 . 1 1 436 436 GLU CA C 436 56.095 56.095 57.962 -1.867 19213 3525 1 5 . 1 1 436 436 GLU CB C 436 30.278 30.278 30.222 0.056 19213 3526 1 5 . 1 1 436 436 GLU H H 436 7.847 7.847 7.648 0.199 19213 3527 1 5 . 1 1 437 437 LEU N N 437 120.616 120.616 120.060 0.556 19213 3528 1 5 . 1 1 437 437 LEU CA C 437 55.492 55.492 54.670 0.822 19213 3529 1 5 . 1 1 437 437 LEU CB C 437 43.512 43.512 42.650 0.862 19213 3530 1 5 . 1 1 437 437 LEU H H 437 7.349 7.349 8.126 -0.777 19213 3531 1 5 . 1 1 440 440 ARG HA H 440 3.274 3.274 3.903 -0.629 19213 3532 1 5 . 1 1 440 440 ARG C C 440 175.983 175.983 178.123 -2.140 19213 3533 1 5 . 1 1 440 440 ARG CA C 440 60.018 60.018 58.875 1.143 19213 3534 1 5 . 1 1 440 440 ARG CB C 440 30.268 30.268 30.267 0.001 19213 3535 1 5 . 1 1 441 441 GLN N N 441 117.801 117.801 118.676 -0.875 19213 3536 1 5 . 1 1 441 441 GLN HA H 441 3.804 3.804 4.472 -0.668 19213 3537 1 5 . 1 1 441 441 GLN C C 441 178.030 178.030 177.724 0.306 19213 3538 1 5 . 1 1 441 441 GLN CA C 441 58.764 58.764 58.618 0.146 19213 3539 1 5 . 1 1 441 441 GLN CB C 441 27.434 27.434 28.235 -0.801 19213 3540 1 5 . 1 1 441 441 GLN H H 441 8.079 8.079 8.699 -0.620 19213 3541 1 5 . 1 1 442 442 ALA N N 442 120.194 120.194 122.315 -2.121 19213 3542 1 5 . 1 1 442 442 ALA HA H 442 4.123 4.123 4.137 -0.014 19213 3543 1 5 . 1 1 442 442 ALA C C 442 181.577 181.577 179.433 2.144 19213 3544 1 5 . 1 1 442 442 ALA CA C 442 54.940 54.940 54.903 0.037 19213 3545 1 5 . 1 1 442 442 ALA CB C 442 18.705 18.705 18.062 0.642 19213 3546 1 5 . 1 1 442 442 ALA H H 442 7.914 7.914 7.320 0.594 19213 3547 1 5 . 1 1 443 443 ILE N N 443 120.712 120.712 115.631 5.081 19213 3548 1 5 . 1 1 443 443 ILE HA H 443 3.445 3.445 3.572 -0.127 19213 3549 1 5 . 1 1 443 443 ILE C C 443 177.663 177.663 177.735 -0.072 19213 3550 1 5 . 1 1 443 443 ILE CA C 443 65.907 65.907 64.134 1.773 19213 3551 1 5 . 1 1 443 443 ILE CB C 443 37.169 37.169 36.842 0.327 19213 3552 1 5 . 1 1 443 443 ILE H H 443 7.663 7.663 7.240 0.423 19213 3553 1 5 . 1 1 444 444 PHE N N 444 119.033 119.033 118.968 0.065 19213 3554 1 5 . 1 1 444 444 PHE HA H 444 4.311 4.311 4.194 0.117 19213 3555 1 5 . 1 1 444 444 PHE C C 444 178.273 178.273 177.918 0.355 19213 3556 1 5 . 1 1 444 444 PHE CA C 444 58.956 58.956 61.290 -2.334 19213 3557 1 5 . 1 1 444 444 PHE CB C 444 38.154 38.154 37.901 0.253 19213 3558 1 5 . 1 1 444 444 PHE H H 444 8.077 8.077 7.363 0.714 19213 3559 1 5 . 1 1 445 445 GLU N N 445 115.469 115.469 120.090 -4.621 19213 3560 1 5 . 1 1 445 445 GLU HA H 445 4.399 4.399 4.091 0.308 19213 3561 1 5 . 1 1 445 445 GLU C C 445 179.822 179.822 179.190 0.632 19213 3562 1 5 . 1 1 445 445 GLU CA C 445 58.472 58.472 59.689 -1.217 19213 3563 1 5 . 1 1 445 445 GLU CB C 445 28.797 28.797 28.882 -0.085 19213 3564 1 5 . 1 1 445 445 GLU H H 445 8.746 8.746 8.537 0.209 19213 3565 1 5 . 1 1 446 446 THR N N 446 117.987 117.987 116.382 1.605 19213 3566 1 5 . 1 1 446 446 THR HA H 446 4.067 4.067 4.054 0.013 19213 3567 1 5 . 1 1 446 446 THR C C 446 175.802 175.802 176.831 -1.029 19213 3568 1 5 . 1 1 446 446 THR CA C 446 66.959 66.959 66.352 0.607 19213 3569 1 5 . 1 1 446 446 THR CB C 446 68.289 68.289 68.683 -0.394 19213 3570 1 5 . 1 1 446 446 THR H H 446 8.139 8.139 7.695 0.444 19213 3571 1 5 . 1 1 447 447 LEU N N 447 122.061 122.061 121.505 0.556 19213 3572 1 5 . 1 1 447 447 LEU HA H 447 3.874 3.874 4.178 -0.304 19213 3573 1 5 . 1 1 447 447 LEU C C 447 179.377 179.377 178.600 0.777 19213 3574 1 5 . 1 1 447 447 LEU CA C 447 58.858 58.858 57.642 1.216 19213 3575 1 5 . 1 1 447 447 LEU CB C 447 42.709 42.709 41.528 1.181 19213 3576 1 5 . 1 1 447 447 LEU H H 447 8.608 8.608 7.553 1.055 19213 3577 1 5 . 1 1 448 448 VAL N N 448 108.293 108.293 119.414 -11.121 19213 3578 1 5 . 1 1 448 448 VAL HA H 448 3.973 3.973 3.636 0.337 19213 3579 1 5 . 1 1 448 448 VAL C C 448 177.414 177.414 177.744 -0.330 19213 3580 1 5 . 1 1 448 448 VAL CA C 448 64.624 64.624 66.871 -2.247 19213 3581 1 5 . 1 1 448 448 VAL CB C 448 29.895 29.895 31.673 -1.778 19213 3582 1 5 . 1 1 448 448 VAL H H 448 7.783 7.783 8.641 -0.858 19213 3583 1 5 . 1 1 449 449 ALA N N 449 124.901 124.901 122.106 2.795 19213 3584 1 5 . 1 1 449 449 ALA HA H 449 4.291 4.291 4.037 0.254 19213 3585 1 5 . 1 1 449 449 ALA C C 449 181.177 181.177 179.276 1.901 19213 3586 1 5 . 1 1 449 449 ALA CA C 449 55.144 55.144 55.457 -0.313 19213 3587 1 5 . 1 1 449 449 ALA CB C 449 18.558 18.558 18.460 0.098 19213 3588 1 5 . 1 1 449 449 ALA H H 449 7.477 7.477 8.660 -1.183 19213 3589 1 5 . 1 1 450 450 LYS N N 450 118.438 118.438 118.963 -0.525 19213 3590 1 5 . 1 1 450 450 LYS HA H 450 4.194 4.194 4.093 0.101 19213 3591 1 5 . 1 1 450 450 LYS C C 450 180.027 180.027 179.552 0.475 19213 3592 1 5 . 1 1 450 450 LYS CA C 450 58.274 58.274 59.247 -0.973 19213 3593 1 5 . 1 1 450 450 LYS CB C 450 31.673 31.673 32.431 -0.758 19213 3594 1 5 . 1 1 450 450 LYS H H 450 8.835 8.835 7.567 1.268 19213 3595 1 5 . 1 1 451 451 GLY N N 451 108.035 108.035 107.779 0.256 19213 3596 1 5 . 1 1 451 451 GLY C C 451 173.706 173.706 176.049 -2.343 19213 3597 1 5 . 1 1 451 451 GLY CA C 451 47.992 47.992 47.194 0.798 19213 3598 1 5 . 1 1 451 451 GLY H H 451 8.765 8.765 8.494 0.271 19213 3599 1 5 . 1 1 452 452 ARG N N 452 122.460 122.460 120.334 2.126 19213 3600 1 5 . 1 1 452 452 ARG HA H 452 4.080 4.080 4.195 -0.115 19213 3601 1 5 . 1 1 452 452 ARG C C 452 178.863 178.863 177.977 0.886 19213 3602 1 5 . 1 1 452 452 ARG CA C 452 60.572 60.572 59.072 1.500 19213 3603 1 5 . 1 1 452 452 ARG CB C 452 30.407 30.407 29.879 0.528 19213 3604 1 5 . 1 1 452 452 ARG H H 452 8.272 8.272 8.140 0.132 19213 3605 1 5 . 1 1 453 453 GLU N N 453 119.784 119.784 119.630 0.154 19213 3606 1 5 . 1 1 453 453 GLU HA H 453 4.096 4.096 4.159 -0.063 19213 3607 1 5 . 1 1 453 453 GLU C C 453 178.778 178.778 178.732 0.046 19213 3608 1 5 . 1 1 453 453 GLU CA C 453 59.023 59.023 58.800 0.223 19213 3609 1 5 . 1 1 453 453 GLU CB C 453 30.241 30.241 29.843 0.398 19213 3610 1 5 . 1 1 453 453 GLU H H 453 7.894 7.894 7.846 0.048 19213 3611 1 5 . 1 1 454 454 LEU N N 454 119.313 119.313 119.274 0.039 19213 3612 1 5 . 1 1 454 454 LEU HA H 454 4.171 4.171 4.058 0.113 19213 3613 1 5 . 1 1 454 454 LEU C C 454 178.457 178.457 178.724 -0.267 19213 3614 1 5 . 1 1 454 454 LEU CA C 454 57.869 57.869 57.534 0.335 19213 3615 1 5 . 1 1 454 454 LEU CB C 454 42.922 42.922 42.387 0.535 19213 3616 1 5 . 1 1 454 454 LEU H H 454 8.328 8.328 8.381 -0.053 19213 3617 1 5 . 1 1 455 455 LEU N N 455 113.192 113.192 115.271 -2.079 19213 3618 1 5 . 1 1 455 455 LEU HA H 455 4.380 4.380 4.320 0.060 19213 3619 1 5 . 1 1 455 455 LEU C C 455 176.795 176.795 176.338 0.457 19213 3620 1 5 . 1 1 455 455 LEU CA C 455 54.643 54.643 54.465 0.178 19213 3621 1 5 . 1 1 455 455 LEU CB C 455 43.897 43.897 42.276 1.621 19213 3622 1 5 . 1 1 455 455 LEU H H 455 7.424 7.424 7.465 -0.041 19213 3623 1 5 . 1 1 456 456 ALA N N 456 124.175 124.175 119.679 4.496 19213 3624 1 5 . 1 1 456 456 ALA HA H 456 4.244 4.244 4.180 0.064 19213 3625 1 5 . 1 1 456 456 ALA C C 456 177.051 177.051 176.946 0.105 19213 3626 1 5 . 1 1 456 456 ALA CA C 456 52.975 52.975 52.437 0.538 19213 3627 1 5 . 1 1 456 456 ALA CB C 456 16.514 16.514 16.243 0.271 19213 3628 1 5 . 1 1 456 456 ALA H H 456 8.573 8.573 7.209 1.364 19213 3629 1 5 . 1 1 457 457 CYS N N 457 111.282 111.282 118.411 -7.129 19213 3630 1 5 . 1 1 457 457 CYS HA H 457 5.592 5.592 4.584 1.008 19213 3631 1 5 . 1 1 457 457 CYS C C 457 172.935 172.935 175.409 -2.474 19213 3632 1 5 . 1 1 457 457 CYS CA C 457 54.876 54.876 59.132 -4.256 19213 3633 1 5 . 1 1 457 457 CYS CB C 457 29.887 29.887 29.169 0.718 19213 3634 1 5 . 1 1 457 457 CYS H H 457 7.000 7.000 7.893 -0.893 19213 3635 1 5 . 1 1 458 458 ASP N N 458 117.373 117.373 121.360 -3.987 19213 3636 1 5 . 1 1 458 458 ASP HA H 458 4.834 4.834 4.618 0.216 19213 3637 1 5 . 1 1 458 458 ASP C C 458 175.463 175.463 175.660 -0.197 19213 3638 1 5 . 1 1 458 458 ASP CA C 458 57.972 57.972 56.540 1.432 19213 3639 1 5 . 1 1 458 458 ASP CB C 458 42.753 42.753 41.471 1.282 19213 3640 1 5 . 1 1 458 458 ASP H H 458 7.265 7.265 8.449 -1.184 19213 3641 1 5 . 1 1 459 459 ARG N N 459 117.328 117.328 118.153 -0.825 19213 3642 1 5 . 1 1 459 459 ARG HA H 459 5.511 5.511 4.991 0.520 19213 3643 1 5 . 1 1 459 459 ARG C C 459 174.652 174.652 173.698 0.954 19213 3644 1 5 . 1 1 459 459 ARG CA C 459 55.593 55.593 55.004 0.589 19213 3645 1 5 . 1 1 459 459 ARG CB C 459 35.294 35.294 33.585 1.709 19213 3646 1 5 . 1 1 459 459 ARG H H 459 8.099 8.099 7.555 0.544 19213 3647 1 5 . 1 1 460 460 VAL N N 460 127.029 127.029 121.707 5.322 19213 3648 1 5 . 1 1 460 460 VAL HA H 460 5.182 5.182 4.516 0.666 19213 3649 1 5 . 1 1 460 460 VAL C C 460 174.538 174.538 172.778 1.760 19213 3650 1 5 . 1 1 460 460 VAL CA C 460 61.684 61.684 60.698 0.986 19213 3651 1 5 . 1 1 460 460 VAL CB C 460 35.157 35.157 34.392 0.764 19213 3652 1 5 . 1 1 460 460 VAL H H 460 9.215 9.215 8.632 0.583 19213 3653 1 5 . 1 1 461 461 ILE N N 461 118.191 118.191 125.682 -7.491 19213 3654 1 5 . 1 1 461 461 ILE HA H 461 5.269 5.269 4.496 0.773 19213 3655 1 5 . 1 1 461 461 ILE C C 461 174.436 174.436 173.500 0.936 19213 3656 1 5 . 1 1 461 461 ILE CA C 461 58.897 58.897 59.284 -0.387 19213 3657 1 5 . 1 1 461 461 ILE CB C 461 41.973 41.973 41.051 0.922 19213 3658 1 5 . 1 1 461 461 ILE H H 461 9.051 9.051 8.193 0.858 19213 3659 1 5 . 1 1 462 462 VAL N N 462 119.036 119.036 126.643 -7.607 19213 3660 1 5 . 1 1 462 462 VAL HA H 462 4.218 4.218 4.425 -0.207 19213 3661 1 5 . 1 1 462 462 VAL C C 462 173.040 173.040 173.958 -0.918 19213 3662 1 5 . 1 1 462 462 VAL CA C 462 62.382 62.382 60.495 1.887 19213 3663 1 5 . 1 1 462 462 VAL CB C 462 33.016 33.016 34.055 -1.039 19213 3664 1 5 . 1 1 462 462 VAL H H 462 7.266 7.266 7.970 -0.704 19213 3665 1 5 . 1 1 463 463 TYR N N 463 131.813 131.813 122.644 9.169 19213 3666 1 5 . 1 1 463 463 TYR HA H 463 4.634 4.634 5.112 -0.478 19213 3667 1 5 . 1 1 463 463 TYR C C 463 172.062 172.062 173.022 -0.960 19213 3668 1 5 . 1 1 463 463 TYR CA C 463 54.971 54.971 55.005 -0.034 19213 3669 1 5 . 1 1 463 463 TYR CB C 463 40.572 40.572 41.115 -0.544 19213 3670 1 5 . 1 1 463 463 TYR H H 463 8.796 8.796 7.355 1.441 19213 3671 1 5 . 1 1 464 464 ALA N N 464 127.309 127.309 123.260 4.049 19213 3672 1 5 . 1 1 464 464 ALA HA H 464 3.810 3.810 4.041 -0.231 19213 3673 1 5 . 1 1 464 464 ALA C C 464 176.605 176.605 175.805 0.800 19213 3674 1 5 . 1 1 464 464 ALA CA C 464 50.931 50.931 50.615 0.316 19213 3675 1 5 . 1 1 464 464 ALA CB C 464 21.945 21.945 19.941 2.004 19213 3676 1 5 . 1 1 464 464 ALA H H 464 8.423 8.423 8.139 0.284 19213 3677 1 5 . 1 1 465 465 PHE N N 465 119.567 119.567 120.897 -1.330 19213 3678 1 5 . 1 1 465 465 PHE HA H 465 4.635 4.635 4.438 0.197 19213 3679 1 5 . 1 1 465 465 PHE C C 465 176.576 176.576 175.704 0.872 19213 3680 1 5 . 1 1 465 465 PHE CA C 465 57.430 57.430 59.731 -2.301 19213 3681 1 5 . 1 1 465 465 PHE CB C 465 41.434 41.434 40.178 1.256 19213 3682 1 5 . 1 1 465 465 PHE H H 465 7.687 7.687 8.797 -1.110 19213 3683 1 5 . 1 1 466 466 ASP N N 466 120.914 120.914 123.129 -2.215 19213 3684 1 5 . 1 1 466 466 ASP HA H 466 4.699 4.699 4.867 -0.168 19213 3685 1 5 . 1 1 466 466 ASP C C 466 178.481 178.481 177.017 1.464 19213 3686 1 5 . 1 1 466 466 ASP CA C 466 51.837 51.837 53.040 -1.203 19213 3687 1 5 . 1 1 466 466 ASP CB C 466 40.950 40.950 42.727 -1.777 19213 3688 1 5 . 1 1 466 466 ASP H H 466 7.829 7.829 8.194 -0.365 19213 3689 1 5 . 1 1 467 467 ASP N N 467 115.889 115.889 119.866 -3.977 19213 3690 1 5 . 1 1 467 467 ASP HA H 467 4.018 4.018 4.664 -0.646 19213 3691 1 5 . 1 1 467 467 ASP C C 467 176.022 176.022 176.052 -0.030 19213 3692 1 5 . 1 1 467 467 ASP CA C 467 56.052 56.052 56.093 -0.041 19213 3693 1 5 . 1 1 467 467 ASP CB C 467 40.144 40.144 40.764 -0.620 19213 3694 1 5 . 1 1 467 467 ASP H H 467 8.138 8.138 8.793 -0.655 19213 3695 1 5 . 1 1 468 468 ASN N N 468 116.903 116.903 117.414 -0.511 19213 3696 1 5 . 1 1 468 468 ASN HA H 468 4.954 4.954 4.929 0.025 19213 3697 1 5 . 1 1 468 468 ASN C C 468 174.155 174.155 174.618 -0.463 19213 3698 1 5 . 1 1 468 468 ASN CA C 468 52.052 52.052 52.498 -0.446 19213 3699 1 5 . 1 1 468 468 ASN CB C 468 39.733 39.733 37.844 1.889 19213 3700 1 5 . 1 1 468 468 ASN H H 468 8.076 8.076 8.213 -0.137 19213 3701 1 5 . 1 1 469 469 TYR N N 469 112.788 112.788 114.991 -2.203 19213 3702 1 5 . 1 1 469 469 TYR HA H 469 3.249 3.249 4.082 -0.833 19213 3703 1 5 . 1 1 469 469 TYR C C 469 175.377 175.377 174.293 1.084 19213 3704 1 5 . 1 1 469 469 TYR CA C 469 61.891 61.891 59.701 2.190 19213 3705 1 5 . 1 1 469 469 TYR CB C 469 34.352 34.352 36.390 -2.038 19213 3706 1 5 . 1 1 469 469 TYR H H 469 7.785 7.785 7.709 0.076 19213 3707 1 5 . 1 1 470 470 VAL N N 470 122.718 122.718 118.546 4.172 19213 3708 1 5 . 1 1 470 470 VAL HA H 470 4.010 4.010 4.345 -0.335 19213 3709 1 5 . 1 1 470 470 VAL CA C 470 63.699 63.699 61.289 2.410 19213 3710 1 5 . 1 1 470 470 VAL CB C 470 30.721 30.721 33.710 -2.989 19213 3711 1 5 . 1 1 470 470 VAL H H 470 8.666 8.666 7.652 1.014 19213 3712 1 5 . 1 1 471 471 GLY C C 471 170.959 170.959 173.118 -2.159 19213 3713 1 5 . 1 1 471 471 GLY CA C 471 43.674 43.674 43.556 0.118 19213 3714 1 5 . 1 1 472 472 THR N N 472 118.003 118.003 115.745 2.258 19213 3715 1 5 . 1 1 472 472 THR HA H 472 4.931 4.931 4.363 0.568 19213 3716 1 5 . 1 1 472 472 THR C C 472 174.282 174.282 173.768 0.514 19213 3717 1 5 . 1 1 472 472 THR CA C 472 61.142 61.142 61.900 -0.758 19213 3718 1 5 . 1 1 472 472 THR CB C 472 70.941 70.941 71.395 -0.454 19213 3719 1 5 . 1 1 472 472 THR H H 472 8.150 8.150 7.892 0.258 19213 3720 1 5 . 1 1 473 473 VAL N N 473 126.802 126.802 129.522 -2.720 19213 3721 1 5 . 1 1 473 473 VAL HA H 473 4.552 4.552 4.051 0.501 19213 3722 1 5 . 1 1 473 473 VAL C C 473 175.472 175.472 175.874 -0.402 19213 3723 1 5 . 1 1 473 473 VAL CA C 473 62.066 62.066 63.354 -1.288 19213 3724 1 5 . 1 1 473 473 VAL CB C 473 29.572 29.572 30.774 -1.202 19213 3725 1 5 . 1 1 473 473 VAL H H 473 8.740 8.740 8.759 -0.019 19213 3726 1 5 . 1 1 474 474 VAL N N 474 122.729 122.729 120.490 2.239 19213 3727 1 5 . 1 1 474 474 VAL HA H 474 4.394 4.394 4.289 0.105 19213 3728 1 5 . 1 1 474 474 VAL C C 474 175.653 175.653 175.147 0.506 19213 3729 1 5 . 1 1 474 474 VAL CA C 474 62.168 62.168 61.661 0.507 19213 3730 1 5 . 1 1 474 474 VAL CB C 474 32.041 32.041 32.270 -0.230 19213 3731 1 5 . 1 1 474 474 VAL H H 474 7.753 7.753 7.668 0.085 19213 3732 1 5 . 1 1 475 475 ALA N N 475 117.768 117.768 121.858 -4.090 19213 3733 1 5 . 1 1 475 475 ALA HA H 475 4.493 4.493 4.715 -0.222 19213 3734 1 5 . 1 1 475 475 ALA C C 475 174.317 174.317 174.762 -0.445 19213 3735 1 5 . 1 1 475 475 ALA CA C 475 52.144 52.144 51.607 0.537 19213 3736 1 5 . 1 1 475 475 ALA CB C 475 23.434 23.434 21.484 1.950 19213 3737 1 5 . 1 1 475 475 ALA H H 475 7.366 7.366 7.180 0.186 19213 3738 1 5 . 1 1 476 476 GLU N N 476 122.294 122.294 122.446 -0.152 19213 3739 1 5 . 1 1 476 476 GLU HA H 476 5.143 5.143 4.641 0.502 19213 3740 1 5 . 1 1 476 476 GLU C C 476 173.452 173.452 174.384 -0.932 19213 3741 1 5 . 1 1 476 476 GLU CA C 476 55.216 55.216 55.601 -0.385 19213 3742 1 5 . 1 1 476 476 GLU CB C 476 36.288 36.288 33.379 2.909 19213 3743 1 5 . 1 1 476 476 GLU H H 476 8.455 8.455 8.502 -0.047 19213 3744 1 5 . 1 1 477 477 SER N N 477 121.014 121.014 119.290 1.724 19213 3745 1 5 . 1 1 477 477 SER HA H 477 4.910 4.910 5.077 -0.167 19213 3746 1 5 . 1 1 477 477 SER C C 477 173.417 173.417 172.625 0.792 19213 3747 1 5 . 1 1 477 477 SER CA C 477 56.576 56.576 57.557 -0.981 19213 3748 1 5 . 1 1 477 477 SER CB C 477 63.836 63.836 65.422 -1.586 19213 3749 1 5 . 1 1 477 477 SER H H 477 8.867 8.867 8.540 0.327 19213 3750 1 5 . 1 1 478 478 VAL N N 478 128.791 128.791 120.012 8.779 19213 3751 1 5 . 1 1 478 478 VAL HA H 478 5.361 5.361 4.739 0.622 19213 3752 1 5 . 1 1 478 478 VAL C C 478 172.729 172.729 175.235 -2.506 19213 3753 1 5 . 1 1 478 478 VAL CA C 478 58.657 58.657 59.959 -1.302 19213 3754 1 5 . 1 1 478 478 VAL CB C 478 35.971 35.971 35.709 0.262 19213 3755 1 5 . 1 1 478 478 VAL H H 478 9.143 9.143 8.203 0.940 19213 3756 1 5 . 1 1 479 479 ALA N N 479 129.671 129.671 128.332 1.339 19213 3757 1 5 . 1 1 479 479 ALA HA H 479 4.373 4.373 4.420 -0.047 19213 3758 1 5 . 1 1 479 479 ALA C C 479 176.732 176.732 177.521 -0.789 19213 3759 1 5 . 1 1 479 479 ALA CA C 479 52.231 52.231 52.157 0.074 19213 3760 1 5 . 1 1 479 479 ALA CB C 479 20.053 20.053 19.954 0.098 19213 3761 1 5 . 1 1 479 479 ALA H H 479 8.632 8.632 8.490 0.142 19213 3762 1 5 . 1 1 480 480 GLU N N 480 120.434 120.434 120.357 0.077 19213 3763 1 5 . 1 1 480 480 GLU HA H 480 4.028 4.028 4.056 -0.028 19213 3764 1 5 . 1 1 480 480 GLU C C 480 177.151 177.151 176.993 0.158 19213 3765 1 5 . 1 1 480 480 GLU CA C 480 58.179 58.179 57.776 0.403 19213 3766 1 5 . 1 1 480 480 GLU CB C 480 29.797 29.797 29.457 0.340 19213 3767 1 5 . 1 1 480 480 GLU H H 480 8.558 8.558 8.601 -0.043 19213 3768 1 5 . 1 1 481 481 GLY N N 481 110.914 110.914 111.151 -0.237 19213 3769 1 5 . 1 1 481 481 GLY C C 481 174.073 174.073 173.767 0.306 19213 3770 1 5 . 1 1 481 481 GLY CA C 481 44.681 44.681 44.178 0.503 19213 3771 1 5 . 1 1 481 481 GLY H H 481 8.539 8.539 8.502 0.037 19213 3772 1 5 . 1 1 482 482 TRP N N 482 119.508 119.508 121.918 -2.410 19213 3773 1 5 . 1 1 482 482 TRP HA H 482 5.290 5.290 5.022 0.268 19213 3774 1 5 . 1 1 482 482 TRP CA C 482 53.659 53.659 54.235 -0.576 19213 3775 1 5 . 1 1 482 482 TRP CB C 482 29.487 29.487 29.634 -0.147 19213 3776 1 5 . 1 1 482 482 TRP H H 482 7.009 7.009 7.182 -0.173 19213 3777 1 5 . 1 1 483 483 PRO HA H 483 4.426 4.426 4.570 -0.144 19213 3778 1 5 . 1 1 483 483 PRO C C 483 175.722 175.722 175.733 -0.011 19213 3779 1 5 . 1 1 483 483 PRO CA C 483 63.259 63.259 62.632 0.627 19213 3780 1 5 . 1 1 483 483 PRO CB C 483 33.238 33.238 32.463 0.775 19213 3781 1 5 . 1 1 484 484 GLN N N 484 121.488 121.488 122.522 -1.034 19213 3782 1 5 . 1 1 484 484 GLN HA H 484 4.936 4.936 4.430 0.506 19213 3783 1 5 . 1 1 484 484 GLN C C 484 176.405 176.405 175.152 1.253 19213 3784 1 5 . 1 1 484 484 GLN CA C 484 55.688 55.688 55.398 0.290 19213 3785 1 5 . 1 1 484 484 GLN CB C 484 29.565 29.565 30.675 -1.110 19213 3786 1 5 . 1 1 484 484 GLN H H 484 8.646 8.646 8.561 0.085 19213 3787 1 5 . 1 1 485 485 ALA N N 485 133.617 133.617 125.808 7.809 19213 3788 1 5 . 1 1 485 485 ALA HA H 485 4.340 4.340 4.578 -0.238 19213 3789 1 5 . 1 1 485 485 ALA C C 485 176.317 176.317 176.840 -0.523 19213 3790 1 5 . 1 1 485 485 ALA CA C 485 51.289 51.289 52.314 -1.025 19213 3791 1 5 . 1 1 485 485 ALA CB C 485 20.581 20.581 19.781 0.800 19213 3792 1 5 . 1 1 485 485 ALA H H 485 11.964 11.964 8.402 3.562 19213 3793 1 5 . 1 1 486 486 ARG N N 486 119.720 119.720 115.692 4.028 19213 3794 1 5 . 1 1 486 486 ARG HA H 486 3.300 3.300 4.043 -0.743 19213 3795 1 5 . 1 1 486 486 ARG C C 486 175.502 175.502 174.997 0.505 19213 3796 1 5 . 1 1 486 486 ARG CA C 486 59.200 59.200 57.166 2.034 19213 3797 1 5 . 1 1 486 486 ARG CB C 486 30.648 30.648 28.556 2.092 19213 3798 1 5 . 1 1 486 486 ARG H H 486 8.235 8.235 8.743 -0.508 19213 3799 1 5 . 1 1 487 487 ASP N N 487 119.936 119.936 115.105 4.831 19213 3800 1 5 . 1 1 487 487 ASP HA H 487 4.141 4.141 4.671 -0.530 19213 3801 1 5 . 1 1 487 487 ASP C C 487 175.557 175.557 174.581 0.976 19213 3802 1 5 . 1 1 487 487 ASP CA C 487 57.148 57.148 54.031 3.118 19213 3803 1 5 . 1 1 487 487 ASP CB C 487 39.031 39.031 41.369 -2.338 19213 3804 1 5 . 1 1 487 487 ASP H H 487 9.023 9.023 8.267 0.756 19213 3805 1 5 . 1 1 488 488 GLN N N 488 119.954 119.954 118.616 1.338 19213 3806 1 5 . 1 1 488 488 GLN HA H 488 4.147 4.147 4.575 -0.428 19213 3807 1 5 . 1 1 488 488 GLN C C 488 174.993 174.993 174.575 0.418 19213 3808 1 5 . 1 1 488 488 GLN CA C 488 57.475 57.475 54.900 2.575 19213 3809 1 5 . 1 1 488 488 GLN CB C 488 28.866 28.866 31.533 -2.667 19213 3810 1 5 . 1 1 488 488 GLN H H 488 8.200 8.200 7.973 0.227 19213 3811 1 5 . 1 1 489 489 VAL N N 489 124.202 124.202 122.095 2.107 19213 3812 1 5 . 1 1 489 489 VAL HA H 489 4.593 4.593 4.122 0.471 19213 3813 1 5 . 1 1 489 489 VAL C C 489 177.060 177.060 175.476 1.584 19213 3814 1 5 . 1 1 489 489 VAL CA C 489 61.871 61.871 61.437 0.434 19213 3815 1 5 . 1 1 489 489 VAL CB C 489 32.575 32.575 32.931 -0.356 19213 3816 1 5 . 1 1 489 489 VAL H H 489 8.379 8.379 8.412 -0.033 19213 3817 1 5 . 1 1 490 490 ILE N N 490 128.772 128.772 128.007 0.765 19213 3818 1 5 . 1 1 490 490 ILE HA H 490 4.433 4.433 4.153 0.280 19213 3819 1 5 . 1 1 490 490 ILE C C 490 174.634 174.634 174.338 0.296 19213 3820 1 5 . 1 1 490 490 ILE CA C 490 60.464 60.464 60.630 -0.166 19213 3821 1 5 . 1 1 490 490 ILE CB C 490 41.025 41.025 38.270 2.756 19213 3822 1 5 . 1 1 490 490 ILE H H 490 8.952 8.952 8.334 0.618 19213 3823 1 5 . 1 1 491 491 GLU N N 491 130.867 130.867 128.208 2.659 19213 3824 1 5 . 1 1 491 491 GLU HA H 491 4.598 4.598 4.528 0.070 19213 3825 1 5 . 1 1 491 491 GLU C C 491 174.015 174.015 174.477 -0.462 19213 3826 1 5 . 1 1 491 491 GLU CA C 491 55.930 55.930 55.370 0.560 19213 3827 1 5 . 1 1 491 491 GLU CB C 491 28.942 28.942 30.785 -1.843 19213 3828 1 5 . 1 1 491 491 GLU H H 491 9.289 9.289 8.699 0.590 19213 3829 1 5 . 1 1 492 492 ASP N N 492 130.401 130.401 126.108 4.293 19213 3830 1 5 . 1 1 492 492 ASP HA H 492 5.210 5.210 5.017 0.193 19213 3831 1 5 . 1 1 492 492 ASP CA C 492 50.160 50.160 51.215 -1.055 19213 3832 1 5 . 1 1 492 492 ASP CB C 492 43.965 43.965 42.389 1.576 19213 3833 1 5 . 1 1 492 492 ASP H H 492 9.437 9.437 8.370 1.067 19213 3834 1 5 . 1 1 493 493 PRO HA H 493 4.359 4.359 4.420 -0.061 19213 3835 1 5 . 1 1 493 493 PRO C C 493 176.079 176.079 175.592 0.487 19213 3836 1 5 . 1 1 493 493 PRO CA C 493 63.617 63.617 62.511 1.106 19213 3837 1 5 . 1 1 493 493 PRO CB C 493 33.300 33.300 30.072 3.228 19213 3838 1 5 . 1 1 494 494 CYS N N 494 117.251 117.251 116.566 0.685 19213 3839 1 5 . 1 1 494 494 CYS HA H 494 4.147 4.147 4.659 -0.512 19213 3840 1 5 . 1 1 494 494 CYS C C 494 176.789 176.789 176.162 0.627 19213 3841 1 5 . 1 1 494 494 CYS CA C 494 58.195 58.195 59.713 -1.518 19213 3842 1 5 . 1 1 494 494 CYS CB C 494 33.343 33.343 28.758 4.585 19213 3843 1 5 . 1 1 494 494 CYS H H 494 8.806 8.806 8.106 0.700 19213 3844 1 5 . 1 1 495 495 PHE N N 495 118.785 118.785 120.253 -1.468 19213 3845 1 5 . 1 1 495 495 PHE HA H 495 4.328 4.328 4.643 -0.315 19213 3846 1 5 . 1 1 495 495 PHE C C 495 176.529 176.529 177.839 -1.310 19213 3847 1 5 . 1 1 495 495 PHE CA C 495 63.265 63.265 59.841 3.424 19213 3848 1 5 . 1 1 495 495 PHE CB C 495 37.239 37.239 37.737 -0.498 19213 3849 1 5 . 1 1 495 495 PHE H H 495 6.799 6.799 8.160 -1.361 19213 3850 1 5 . 1 1 496 496 ARG N N 496 118.755 118.755 118.072 0.683 19213 3851 1 5 . 1 1 496 496 ARG HA H 496 3.692 3.692 3.411 0.281 19213 3852 1 5 . 1 1 496 496 ARG C C 496 178.119 178.119 176.582 1.537 19213 3853 1 5 . 1 1 496 496 ARG CA C 496 58.495 58.495 57.924 0.571 19213 3854 1 5 . 1 1 496 496 ARG CB C 496 29.942 29.942 28.602 1.340 19213 3855 1 5 . 1 1 496 496 ARG H H 496 9.000 9.000 6.096 2.904 19213 3856 1 5 . 1 1 497 497 GLU N N 497 115.895 115.895 118.403 -2.508 19213 3857 1 5 . 1 1 497 497 GLU HA H 497 3.858 3.858 4.195 -0.337 19213 3858 1 5 . 1 1 497 497 GLU C C 497 177.981 177.981 177.204 0.777 19213 3859 1 5 . 1 1 497 497 GLU CA C 497 58.920 58.920 57.923 0.997 19213 3860 1 5 . 1 1 497 497 GLU CB C 497 29.841 29.841 29.684 0.157 19213 3861 1 5 . 1 1 497 497 GLU H H 497 7.849 7.849 7.891 -0.042 19213 3862 1 5 . 1 1 498 498 HIS N N 498 111.119 111.119 116.344 -5.225 19213 3863 1 5 . 1 1 498 498 HIS HA H 498 4.710 4.710 4.656 0.054 19213 3864 1 5 . 1 1 498 498 HIS CA C 498 55.904 55.904 57.825 -1.921 19213 3865 1 5 . 1 1 498 498 HIS CB C 498 30.890 30.890 30.594 0.296 19213 3866 1 5 . 1 1 498 498 HIS H H 498 7.717 7.717 7.109 0.608 19213 3867 1 5 . 1 1 499 499 TRP HA H 499 5.476 5.476 4.789 0.687 19213 3868 1 5 . 1 1 499 499 TRP C C 499 176.398 176.398 177.356 -0.958 19213 3869 1 5 . 1 1 499 499 TRP CA C 499 58.111 58.111 58.997 -0.886 19213 3870 1 5 . 1 1 499 499 TRP CB C 499 34.294 34.294 29.057 5.237 19213 3871 1 5 . 1 1 500 500 VAL N N 500 121.907 121.907 121.609 0.298 19213 3872 1 5 . 1 1 500 500 VAL HA H 500 3.421 3.421 3.489 -0.068 19213 3873 1 5 . 1 1 500 500 VAL C C 500 177.163 177.163 177.124 0.039 19213 3874 1 5 . 1 1 500 500 VAL CA C 500 68.043 68.043 66.201 1.842 19213 3875 1 5 . 1 1 500 500 VAL CB C 500 31.127 31.127 31.956 -0.829 19213 3876 1 5 . 1 1 500 500 VAL H H 500 8.071 8.071 7.459 0.612 19213 3877 1 5 . 1 1 501 501 GLU N N 501 117.634 117.634 120.081 -2.447 19213 3878 1 5 . 1 1 501 501 GLU HA H 501 4.130 4.130 3.943 0.187 19213 3879 1 5 . 1 1 501 501 GLU C C 501 178.314 178.314 178.412 -0.098 19213 3880 1 5 . 1 1 501 501 GLU CA C 501 58.781 58.781 59.268 -0.487 19213 3881 1 5 . 1 1 501 501 GLU CB C 501 28.631 28.631 28.608 0.023 19213 3882 1 5 . 1 1 501 501 GLU H H 501 8.188 8.188 8.704 -0.516 19213 3883 1 5 . 1 1 502 502 ALA N N 502 120.830 120.830 121.900 -1.070 19213 3884 1 5 . 1 1 502 502 ALA HA H 502 4.106 4.106 4.034 0.072 19213 3885 1 5 . 1 1 502 502 ALA C C 502 181.963 181.963 180.139 1.824 19213 3886 1 5 . 1 1 502 502 ALA CA C 502 54.953 54.953 54.706 0.247 19213 3887 1 5 . 1 1 502 502 ALA CB C 502 18.558 18.558 18.014 0.544 19213 3888 1 5 . 1 1 502 502 ALA H H 502 7.996 7.996 8.346 -0.350 19213 3889 1 5 . 1 1 503 503 TYR N N 503 118.238 118.238 119.439 -1.201 19213 3890 1 5 . 1 1 503 503 TYR HA H 503 4.362 4.362 4.384 -0.022 19213 3891 1 5 . 1 1 503 503 TYR C C 503 178.723 178.723 178.851 -0.128 19213 3892 1 5 . 1 1 503 503 TYR CA C 503 64.148 64.148 60.382 3.766 19213 3893 1 5 . 1 1 503 503 TYR CB C 503 39.126 39.126 38.013 1.113 19213 3894 1 5 . 1 1 503 503 TYR H H 503 8.665 8.665 8.042 0.623 19213 3895 1 5 . 1 1 504 504 ARG N N 504 121.723 121.723 118.426 3.297 19213 3896 1 5 . 1 1 504 504 ARG HA H 504 3.905 3.905 4.024 -0.119 19213 3897 1 5 . 1 1 504 504 ARG C C 504 177.714 177.714 177.690 0.024 19213 3898 1 5 . 1 1 504 504 ARG CA C 504 59.679 59.679 58.749 0.930 19213 3899 1 5 . 1 1 504 504 ARG CB C 504 30.495 30.495 29.866 0.629 19213 3900 1 5 . 1 1 504 504 ARG H H 504 8.824 8.824 7.811 1.013 19213 3901 1 5 . 1 1 505 505 GLN N N 505 113.473 113.473 116.071 -2.598 19213 3902 1 5 . 1 1 505 505 GLN HA H 505 4.332 4.332 4.342 -0.010 19213 3903 1 5 . 1 1 505 505 GLN C C 505 176.403 176.403 176.779 -0.376 19213 3904 1 5 . 1 1 505 505 GLN CA C 505 55.387 55.387 55.268 0.119 19213 3905 1 5 . 1 1 505 505 GLN CB C 505 28.792 28.792 28.931 -0.139 19213 3906 1 5 . 1 1 505 505 GLN H H 505 7.613 7.613 7.534 0.079 19213 3907 1 5 . 1 1 506 506 GLY N N 506 106.968 106.968 108.709 -1.741 19213 3908 1 5 . 1 1 506 506 GLY C C 506 174.133 174.133 174.272 -0.139 19213 3909 1 5 . 1 1 506 506 GLY CA C 506 45.874 45.874 44.877 0.997 19213 3910 1 5 . 1 1 506 506 GLY H H 506 7.867 7.867 8.479 -0.612 19213 3911 1 5 . 1 1 507 507 ARG N N 507 123.761 123.761 119.378 4.383 19213 3912 1 5 . 1 1 507 507 ARG HA H 507 3.717 3.717 4.473 -0.756 19213 3913 1 5 . 1 1 507 507 ARG C C 507 171.000 171.000 175.525 -4.525 19213 3914 1 5 . 1 1 507 507 ARG CA C 507 58.285 58.285 55.850 2.435 19213 3915 1 5 . 1 1 507 507 ARG CB C 507 29.901 29.901 31.347 -1.446 19213 3916 1 5 . 1 1 507 507 ARG H H 507 7.858 7.858 7.676 0.182 19213 3917 1 5 . 1 1 508 508 ILE N N 508 119.641 119.641 119.709 -0.068 19213 3918 1 5 . 1 1 508 508 ILE HA H 508 4.859 4.859 4.523 0.336 19213 3919 1 5 . 1 1 508 508 ILE C C 508 176.521 176.521 174.508 2.013 19213 3920 1 5 . 1 1 508 508 ILE CA C 508 59.199 59.199 58.938 0.261 19213 3921 1 5 . 1 1 508 508 ILE CB C 508 42.573 42.573 41.853 0.720 19213 3922 1 5 . 1 1 508 508 ILE H H 508 7.180 7.180 8.104 -0.924 19213 3923 1 5 . 1 1 509 509 GLN N N 509 125.871 125.871 126.372 -0.501 19213 3924 1 5 . 1 1 509 509 GLN HA H 509 4.918 4.918 4.598 0.321 19213 3925 1 5 . 1 1 509 509 GLN C C 509 173.750 173.750 173.413 0.337 19213 3926 1 5 . 1 1 509 509 GLN CA C 509 54.255 54.255 54.654 -0.399 19213 3927 1 5 . 1 1 509 509 GLN CB C 509 32.267 32.267 32.241 0.026 19213 3928 1 5 . 1 1 509 509 GLN H H 509 8.536 8.536 8.250 0.286 19213 3929 1 5 . 1 1 510 510 ALA N N 510 133.952 133.952 130.137 3.815 19213 3930 1 5 . 1 1 510 510 ALA HA H 510 4.946 4.946 5.853 -0.907 19213 3931 1 5 . 1 1 510 510 ALA C C 510 175.742 175.742 176.834 -1.092 19213 3932 1 5 . 1 1 510 510 ALA CA C 510 51.009 51.009 50.816 0.193 19213 3933 1 5 . 1 1 510 510 ALA CB C 510 21.245 21.245 20.989 0.256 19213 3934 1 5 . 1 1 510 510 ALA H H 510 8.865 8.865 8.564 0.301 19213 3935 1 5 . 1 1 511 511 THR N N 511 121.442 121.442 121.892 -0.450 19213 3936 1 5 . 1 1 511 511 THR HA H 511 4.652 4.652 4.711 -0.059 19213 3937 1 5 . 1 1 511 511 THR C C 511 174.487 174.487 174.929 -0.442 19213 3938 1 5 . 1 1 511 511 THR CA C 511 62.152 62.152 61.078 1.074 19213 3939 1 5 . 1 1 511 511 THR CB C 511 69.678 69.678 70.521 -0.843 19213 3940 1 5 . 1 1 511 511 THR H H 511 9.368 9.368 8.942 0.426 19213 3941 1 5 . 1 1 512 512 THR N N 512 126.491 126.491 119.088 7.403 19213 3942 1 5 . 1 1 512 512 THR HA H 512 4.706 4.706 4.020 0.686 19213 3943 1 5 . 1 1 512 512 THR C C 512 173.054 173.054 174.468 -1.414 19213 3944 1 5 . 1 1 512 512 THR CA C 512 63.609 63.609 65.895 -2.286 19213 3945 1 5 . 1 1 512 512 THR CB C 512 69.408 69.408 69.121 0.287 19213 3946 1 5 . 1 1 512 512 THR H H 512 8.829 8.829 8.288 0.541 19213 3947 1 5 . 1 1 513 513 ASP N N 513 113.706 113.706 119.650 -5.944 19213 3948 1 5 . 1 1 513 513 ASP HA H 513 5.022 5.022 4.987 0.035 19213 3949 1 5 . 1 1 513 513 ASP C C 513 179.097 179.097 177.117 1.980 19213 3950 1 5 . 1 1 513 513 ASP CA C 513 52.164 52.164 52.106 0.058 19213 3951 1 5 . 1 1 513 513 ASP CB C 513 42.331 42.331 40.776 1.556 19213 3952 1 5 . 1 1 513 513 ASP H H 513 7.272 7.272 7.997 -0.725 19213 3953 1 5 . 1 1 514 514 ILE N N 514 123.327 123.327 122.422 0.905 19213 3954 1 5 . 1 1 514 514 ILE HA H 514 3.636 3.636 4.007 -0.371 19213 3955 1 5 . 1 1 514 514 ILE C C 514 175.769 175.769 176.165 -0.396 19213 3956 1 5 . 1 1 514 514 ILE CA C 514 63.545 63.545 63.833 -0.288 19213 3957 1 5 . 1 1 514 514 ILE CB C 514 38.180 38.180 37.441 0.739 19213 3958 1 5 . 1 1 514 514 ILE H H 514 8.916 8.916 8.435 0.481 19213 3959 1 5 . 1 1 515 515 PHE N N 515 117.344 117.344 118.754 -1.410 19213 3960 1 5 . 1 1 515 515 PHE HA H 515 4.517 4.517 4.430 0.087 19213 3961 1 5 . 1 1 515 515 PHE C C 515 176.514 176.514 176.668 -0.154 19213 3962 1 5 . 1 1 515 515 PHE CA C 515 58.401 58.401 60.031 -1.630 19213 3963 1 5 . 1 1 515 515 PHE CB C 515 37.600 37.600 38.803 -1.203 19213 3964 1 5 . 1 1 515 515 PHE H H 515 8.154 8.154 8.020 0.134 19213 3965 1 5 . 1 1 516 516 LYS N N 516 120.351 120.351 116.677 3.674 19213 3966 1 5 . 1 1 516 516 LYS HA H 516 4.715 4.715 4.392 0.323 19213 3967 1 5 . 1 1 516 516 LYS C C 516 175.486 175.486 176.081 -0.595 19213 3968 1 5 . 1 1 516 516 LYS CA C 516 54.831 54.831 56.318 -1.487 19213 3969 1 5 . 1 1 516 516 LYS CB C 516 33.581 33.581 33.812 -0.231 19213 3970 1 5 . 1 1 516 516 LYS H H 516 7.634 7.634 8.328 -0.694 19213 3971 1 5 . 1 1 517 517 ALA N N 517 122.264 122.264 122.304 -0.040 19213 3972 1 5 . 1 1 517 517 ALA HA H 517 4.561 4.561 4.516 0.045 19213 3973 1 5 . 1 1 517 517 ALA C C 517 176.799 176.799 176.475 0.324 19213 3974 1 5 . 1 1 517 517 ALA CA C 517 51.980 51.980 52.037 -0.057 19213 3975 1 5 . 1 1 517 517 ALA CB C 517 20.779 20.779 19.886 0.893 19213 3976 1 5 . 1 1 517 517 ALA H H 517 7.552 7.552 7.197 0.355 19213 3977 1 5 . 1 1 518 518 GLY N N 518 110.102 110.102 112.133 -2.031 19213 3978 1 5 . 1 1 518 518 GLY C C 518 175.260 175.260 175.110 0.150 19213 3979 1 5 . 1 1 518 518 GLY CA C 518 46.252 46.252 44.551 1.701 19213 3980 1 5 . 1 1 518 518 GLY H H 518 8.499 8.499 8.495 0.004 19213 3981 1 5 . 1 1 519 519 LEU N N 519 120.980 120.980 120.629 0.351 19213 3982 1 5 . 1 1 519 519 LEU HA H 519 4.285 4.285 4.107 0.178 19213 3983 1 5 . 1 1 519 519 LEU C C 519 176.687 176.687 177.400 -0.713 19213 3984 1 5 . 1 1 519 519 LEU CA C 519 54.291 54.291 54.904 -0.613 19213 3985 1 5 . 1 1 519 519 LEU CB C 519 42.942 42.942 39.175 3.767 19213 3986 1 5 . 1 1 519 519 LEU H H 519 8.418 8.418 8.433 -0.015 19213 3987 1 5 . 1 1 520 520 THR N N 520 107.429 107.429 112.641 -5.212 19213 3988 1 5 . 1 1 520 520 THR HA H 520 4.420 4.420 4.278 0.142 19213 3989 1 5 . 1 1 520 520 THR CA C 520 60.231 60.231 61.567 -1.336 19213 3990 1 5 . 1 1 520 520 THR CB C 520 71.205 71.205 70.102 1.103 19213 3991 1 5 . 1 1 520 520 THR H H 520 6.149 6.149 7.984 -1.835 19213 3992 1 5 . 1 1 521 521 GLU N N 521 118.700 118.700 118.157 0.543 19213 3993 1 5 . 1 1 521 521 GLU HA H 521 4.173 4.173 4.325 -0.152 19213 3994 1 5 . 1 1 521 521 GLU C C 521 176.567 176.567 178.414 -1.847 19213 3995 1 5 . 1 1 521 521 GLU CA C 521 57.220 57.220 57.179 0.041 19213 3996 1 5 . 1 1 521 521 GLU CB C 521 30.353 30.353 29.827 0.526 19213 3997 1 5 . 1 1 521 521 GLU H H 521 7.290 7.290 8.712 -1.422 19213 3998 1 5 . 1 1 522 522 CYS N N 522 121.185 121.185 120.076 1.109 19213 3999 1 5 . 1 1 522 522 CYS HA H 522 4.139 4.139 4.414 -0.275 19213 4000 1 5 . 1 1 522 522 CYS C C 522 177.769 177.769 176.851 0.918 19213 4001 1 5 . 1 1 522 522 CYS CA C 522 61.379 61.379 61.593 -0.214 19213 4002 1 5 . 1 1 522 522 CYS CB C 522 32.851 32.851 26.137 6.714 19213 4003 1 5 . 1 1 522 522 CYS H H 522 8.218 8.218 8.530 -0.312 19213 4004 1 5 . 1 1 523 523 HIS N N 523 117.000 117.000 120.347 -3.347 19213 4005 1 5 . 1 1 523 523 HIS HA H 523 3.796 3.796 4.141 -0.345 19213 4006 1 5 . 1 1 523 523 HIS C C 523 177.832 177.832 177.279 0.553 19213 4007 1 5 . 1 1 523 523 HIS CA C 523 59.058 59.058 60.338 -1.280 19213 4008 1 5 . 1 1 523 523 HIS CB C 523 28.841 28.841 29.412 -0.571 19213 4009 1 5 . 1 1 523 523 HIS H H 523 7.333 7.333 7.788 -0.455 19213 4010 1 5 . 1 1 524 524 LEU N N 524 117.403 117.403 118.075 -0.672 19213 4011 1 5 . 1 1 524 524 LEU HA H 524 3.792 3.792 3.634 0.158 19213 4012 1 5 . 1 1 524 524 LEU C C 524 180.184 180.184 178.829 1.355 19213 4013 1 5 . 1 1 524 524 LEU CA C 524 58.223 58.223 58.081 0.142 19213 4014 1 5 . 1 1 524 524 LEU CB C 524 41.482 41.482 41.161 0.321 19213 4015 1 5 . 1 1 524 524 LEU H H 524 8.582 8.582 8.076 0.506 19213 4016 1 5 . 1 1 525 525 ASN N N 525 118.149 118.149 115.628 2.521 19213 4017 1 5 . 1 1 525 525 ASN HA H 525 4.534 4.534 4.478 0.056 19213 4018 1 5 . 1 1 525 525 ASN C C 525 177.023 177.023 177.452 -0.429 19213 4019 1 5 . 1 1 525 525 ASN CA C 525 55.784 55.784 55.303 0.481 19213 4020 1 5 . 1 1 525 525 ASN CB C 525 38.017 38.017 37.953 0.064 19213 4021 1 5 . 1 1 525 525 ASN H H 525 9.226 9.226 7.945 1.281 19213 4022 1 5 . 1 1 526 526 GLN N N 526 115.619 115.619 119.365 -3.746 19213 4023 1 5 . 1 1 526 526 GLN HA H 526 4.358 4.358 4.167 0.191 19213 4024 1 5 . 1 1 526 526 GLN C C 526 175.801 175.801 177.112 -1.311 19213 4025 1 5 . 1 1 526 526 GLN CA C 526 57.008 57.008 58.054 -1.046 19213 4026 1 5 . 1 1 526 526 GLN CB C 526 28.586 28.586 29.194 -0.608 19213 4027 1 5 . 1 1 526 526 GLN H H 526 7.290 7.290 8.022 -0.732 19213 4028 1 5 . 1 1 527 527 LEU N N 527 115.651 115.651 118.976 -3.325 19213 4029 1 5 . 1 1 527 527 LEU HA H 527 4.130 4.130 4.171 -0.041 19213 4030 1 5 . 1 1 527 527 LEU C C 527 178.587 178.587 178.441 0.146 19213 4031 1 5 . 1 1 527 527 LEU CA C 527 55.568 55.568 56.265 -0.697 19213 4032 1 5 . 1 1 527 527 LEU CB C 527 42.148 42.148 42.014 0.134 19213 4033 1 5 . 1 1 527 527 LEU H H 527 6.944 6.944 8.053 -1.109 19213 4034 1 5 . 1 1 528 528 ARG N N 528 121.110 121.110 120.338 0.772 19213 4035 1 5 . 1 1 528 528 ARG HA H 528 4.310 4.310 3.960 0.350 19213 4036 1 5 . 1 1 528 528 ARG CA C 528 61.278 61.278 61.930 -0.652 19213 4037 1 5 . 1 1 528 528 ARG CB C 528 28.800 28.800 27.795 1.005 19213 4038 1 5 . 1 1 528 528 ARG H H 528 8.246 8.246 8.364 -0.118 19213 4039 1 5 . 1 1 529 529 PRO HA H 529 4.432 4.432 4.259 0.173 19213 4040 1 5 . 1 1 529 529 PRO C C 529 177.119 177.119 177.415 -0.296 19213 4041 1 5 . 1 1 529 529 PRO CA C 529 65.500 65.500 65.327 0.173 19213 4042 1 5 . 1 1 529 529 PRO CB C 529 31.079 31.079 31.133 -0.054 19213 4043 1 5 . 1 1 530 530 LEU N N 530 113.140 113.140 116.250 -3.110 19213 4044 1 5 . 1 1 530 530 LEU HA H 530 4.186 4.186 4.408 -0.222 19213 4045 1 5 . 1 1 530 530 LEU C C 530 176.839 176.839 176.728 0.111 19213 4046 1 5 . 1 1 530 530 LEU CA C 530 54.360 54.360 54.443 -0.083 19213 4047 1 5 . 1 1 530 530 LEU CB C 530 42.962 42.962 42.005 0.957 19213 4048 1 5 . 1 1 530 530 LEU H H 530 6.908 6.908 7.673 -0.765 19213 4049 1 5 . 1 1 531 531 LYS N N 531 114.250 114.250 117.632 -3.382 19213 4050 1 5 . 1 1 531 531 LYS HA H 531 3.881 3.881 3.927 -0.046 19213 4051 1 5 . 1 1 531 531 LYS C C 531 173.063 173.063 175.360 -2.297 19213 4052 1 5 . 1 1 531 531 LYS CA C 531 57.573 57.573 57.055 0.518 19213 4053 1 5 . 1 1 531 531 LYS CB C 531 28.802 28.802 30.703 -1.901 19213 4054 1 5 . 1 1 531 531 LYS H H 531 8.120 8.120 7.934 0.186 19213 4055 1 5 . 1 1 532 532 VAL N N 532 115.759 115.759 118.478 -2.719 19213 4056 1 5 . 1 1 532 532 VAL HA H 532 3.000 3.000 3.821 -0.821 19213 4057 1 5 . 1 1 532 532 VAL C C 532 174.337 174.337 176.300 -1.963 19213 4058 1 5 . 1 1 532 532 VAL CA C 532 64.525 64.525 63.516 1.009 19213 4059 1 5 . 1 1 532 532 VAL CB C 532 32.785 32.785 31.522 1.263 19213 4060 1 5 . 1 1 532 532 VAL H H 532 6.477 6.477 7.289 -0.812 19213 4061 1 5 . 1 1 533 533 ARG N N 533 123.594 123.594 128.447 -4.853 19213 4062 1 5 . 1 1 533 533 ARG HA H 533 4.457 4.457 4.709 -0.252 19213 4063 1 5 . 1 1 533 533 ARG C C 533 173.662 173.662 174.604 -0.942 19213 4064 1 5 . 1 1 533 533 ARG CA C 533 53.844 53.844 55.109 -1.265 19213 4065 1 5 . 1 1 533 533 ARG CB C 533 31.242 31.242 30.460 0.782 19213 4066 1 5 . 1 1 533 533 ARG H H 533 8.917 8.917 8.489 0.428 19213 4067 1 5 . 1 1 534 534 ALA N N 534 123.107 123.107 122.639 0.468 19213 4068 1 5 . 1 1 534 534 ALA HA H 534 4.663 4.663 5.151 -0.488 19213 4069 1 5 . 1 1 534 534 ALA C C 534 176.608 176.608 174.934 1.674 19213 4070 1 5 . 1 1 534 534 ALA CA C 534 51.456 51.456 51.841 -0.385 19213 4071 1 5 . 1 1 534 534 ALA CB C 534 25.134 25.134 21.104 4.030 19213 4072 1 5 . 1 1 534 534 ALA H H 534 8.338 8.338 7.900 0.438 19213 4073 1 5 . 1 1 535 535 ASN N N 535 117.841 117.841 117.186 0.655 19213 4074 1 5 . 1 1 535 535 ASN HA H 535 6.000 6.000 4.912 1.088 19213 4075 1 5 . 1 1 535 535 ASN C C 535 170.841 170.841 173.056 -2.215 19213 4076 1 5 . 1 1 535 535 ASN CA C 535 52.258 52.258 53.721 -1.462 19213 4077 1 5 . 1 1 535 535 ASN CB C 535 42.060 42.060 40.612 1.448 19213 4078 1 5 . 1 1 535 535 ASN H H 535 9.052 9.052 8.688 0.364 19213 4079 1 5 . 1 1 536 536 LEU N N 536 123.199 123.199 127.740 -4.541 19213 4080 1 5 . 1 1 536 536 LEU HA H 536 4.667 4.667 4.588 0.079 19213 4081 1 5 . 1 1 536 536 LEU C C 536 173.345 173.345 173.452 -0.107 19213 4082 1 5 . 1 1 536 536 LEU CA C 536 54.258 54.258 53.326 0.932 19213 4083 1 5 . 1 1 536 536 LEU CB C 536 43.282 43.282 44.782 -1.500 19213 4084 1 5 . 1 1 536 536 LEU H H 536 8.163 8.163 7.530 0.633 19213 4085 1 5 . 1 1 537 537 VAL N N 537 128.390 128.390 124.095 4.295 19213 4086 1 5 . 1 1 537 537 VAL HA H 537 4.428 4.428 4.629 -0.201 19213 4087 1 5 . 1 1 537 537 VAL C C 537 174.411 174.411 173.334 1.077 19213 4088 1 5 . 1 1 537 537 VAL CA C 537 62.112 62.112 59.761 2.350 19213 4089 1 5 . 1 1 537 537 VAL CB C 537 34.747 34.747 33.813 0.934 19213 4090 1 5 . 1 1 537 537 VAL H H 537 8.881 8.881 7.758 1.123 19213 4091 1 5 . 1 1 538 538 VAL N N 538 118.758 118.758 125.503 -6.745 19213 4092 1 5 . 1 1 538 538 VAL HA H 538 5.360 5.360 4.595 0.765 19213 4093 1 5 . 1 1 538 538 VAL CA C 538 56.783 56.783 57.406 -0.622 19213 4094 1 5 . 1 1 538 538 VAL CB C 538 33.069 33.069 34.950 -1.881 19213 4095 1 5 . 1 1 538 538 VAL H H 538 8.456 8.456 7.974 0.482 19213 4096 1 5 . 1 1 539 539 PRO HA H 539 4.832 4.832 4.602 0.230 19213 4097 1 5 . 1 1 539 539 PRO C C 539 175.835 175.835 175.748 0.087 19213 4098 1 5 . 1 1 539 539 PRO CA C 539 62.909 62.909 63.559 -0.650 19213 4099 1 5 . 1 1 539 539 PRO CB C 539 34.483 34.483 31.927 2.556 19213 4100 1 5 . 1 1 540 540 MET N N 540 116.774 116.774 124.353 -7.579 19213 4101 1 5 . 1 1 540 540 MET HA H 540 4.372 4.372 4.912 -0.540 19213 4102 1 5 . 1 1 540 540 MET C C 540 173.982 173.982 174.961 -0.979 19213 4103 1 5 . 1 1 540 540 MET CA C 540 55.763 55.763 53.249 2.514 19213 4104 1 5 . 1 1 540 540 MET CB C 540 35.394 35.394 34.664 0.730 19213 4105 1 5 . 1 1 540 540 MET H H 540 8.212 8.212 8.248 -0.036 19213 4106 1 5 . 1 1 541 541 VAL N N 541 127.382 127.382 120.445 6.937 19213 4107 1 5 . 1 1 541 541 VAL HA H 541 4.851 4.851 5.013 -0.162 19213 4108 1 5 . 1 1 541 541 VAL C C 541 174.789 174.789 174.711 0.078 19213 4109 1 5 . 1 1 541 541 VAL CA C 541 61.847 61.847 60.653 1.194 19213 4110 1 5 . 1 1 541 541 VAL CB C 541 33.092 33.092 33.763 -0.671 19213 4111 1 5 . 1 1 541 541 VAL H H 541 8.342 8.342 8.580 -0.238 19213 4112 1 5 . 1 1 542 542 ILE N N 542 126.100 126.100 128.287 -2.187 19213 4113 1 5 . 1 1 542 542 ILE HA H 542 4.225 4.225 4.390 -0.165 19213 4114 1 5 . 1 1 542 542 ILE C C 542 176.127 176.127 176.040 0.087 19213 4115 1 5 . 1 1 542 542 ILE CA C 542 60.535 60.535 60.233 0.302 19213 4116 1 5 . 1 1 542 542 ILE CB C 542 41.569 41.569 40.249 1.320 19213 4117 1 5 . 1 1 542 542 ILE H H 542 8.687 8.687 9.158 -0.471 19213 4118 1 5 . 1 1 543 543 ASP N N 543 132.060 132.060 125.574 6.486 19213 4119 1 5 . 1 1 543 543 ASP HA H 543 4.203 4.203 4.294 -0.091 19213 4120 1 5 . 1 1 543 543 ASP C C 543 175.231 175.231 175.594 -0.363 19213 4121 1 5 . 1 1 543 543 ASP CA C 543 55.725 55.725 55.861 -0.136 19213 4122 1 5 . 1 1 543 543 ASP CB C 543 39.705 39.705 39.128 0.577 19213 4123 1 5 . 1 1 543 543 ASP H H 543 10.386 10.386 9.329 1.057 19213 4124 1 5 . 1 1 544 544 ASP N N 544 111.355 111.355 113.549 -2.194 19213 4125 1 5 . 1 1 544 544 ASP HA H 544 4.109 4.109 4.308 -0.199 19213 4126 1 5 . 1 1 544 544 ASP C C 544 174.479 174.479 174.358 0.121 19213 4127 1 5 . 1 1 544 544 ASP CA C 544 55.744 55.744 55.623 0.121 19213 4128 1 5 . 1 1 544 544 ASP CB C 544 41.048 41.048 40.478 0.570 19213 4129 1 5 . 1 1 544 544 ASP H H 544 8.812 8.812 8.756 0.056 19213 4130 1 5 . 1 1 545 545 GLN N N 545 117.226 117.226 116.650 0.576 19213 4131 1 5 . 1 1 545 545 GLN HA H 545 4.582 4.582 4.659 -0.077 19213 4132 1 5 . 1 1 545 545 GLN C C 545 174.762 174.762 174.516 0.246 19213 4133 1 5 . 1 1 545 545 GLN CA C 545 53.703 53.703 53.801 -0.098 19213 4134 1 5 . 1 1 545 545 GLN CB C 545 31.687 31.687 31.960 -0.273 19213 4135 1 5 . 1 1 545 545 GLN H H 545 7.884 7.884 8.472 -0.588 19213 4136 1 5 . 1 1 546 546 LEU N N 546 123.783 123.783 128.378 -4.595 19213 4137 1 5 . 1 1 546 546 LEU HA H 546 4.590 4.590 4.381 0.209 19213 4138 1 5 . 1 1 546 546 LEU C C 546 174.041 174.041 176.237 -2.196 19213 4139 1 5 . 1 1 546 546 LEU CA C 546 55.029 55.029 55.556 -0.527 19213 4140 1 5 . 1 1 546 546 LEU CB C 546 42.361 42.361 41.295 1.066 19213 4141 1 5 . 1 1 546 546 LEU H H 546 9.175 9.175 8.931 0.244 19213 4142 1 5 . 1 1 547 547 PHE N N 547 132.161 132.161 125.195 6.966 19213 4143 1 5 . 1 1 547 547 PHE HA H 547 4.564 4.564 4.762 -0.198 19213 4144 1 5 . 1 1 547 547 PHE C C 547 176.063 176.063 174.431 1.632 19213 4145 1 5 . 1 1 547 547 PHE CA C 547 59.445 59.445 58.309 1.136 19213 4146 1 5 . 1 1 547 547 PHE CB C 547 41.069 41.069 40.936 0.133 19213 4147 1 5 . 1 1 547 547 PHE H H 547 8.925 8.925 8.005 0.920 19213 4148 1 5 . 1 1 548 548 GLY N N 548 103.713 103.713 104.209 -0.496 19213 4149 1 5 . 1 1 548 548 GLY C C 548 169.176 169.176 170.955 -1.779 19213 4150 1 5 . 1 1 548 548 GLY CA C 548 45.906 45.906 44.257 1.649 19213 4151 1 5 . 1 1 548 548 GLY H H 548 8.025 8.025 7.225 0.800 19213 4152 1 5 . 1 1 549 549 LEU N N 549 117.457 117.457 119.206 -1.749 19213 4153 1 5 . 1 1 549 549 LEU HA H 549 4.872 4.872 4.771 0.101 19213 4154 1 5 . 1 1 549 549 LEU C C 549 174.008 174.008 173.632 0.376 19213 4155 1 5 . 1 1 549 549 LEU CA C 549 52.697 52.697 54.571 -1.874 19213 4156 1 5 . 1 1 549 549 LEU CB C 549 44.641 44.641 46.617 -1.976 19213 4157 1 5 . 1 1 549 549 LEU H H 549 8.738 8.738 7.404 1.334 19213 4158 1 5 . 1 1 550 550 LEU N N 550 127.533 127.533 126.963 0.570 19213 4159 1 5 . 1 1 550 550 LEU HA H 550 4.920 4.920 4.593 0.327 19213 4160 1 5 . 1 1 550 550 LEU C C 550 175.162 175.162 174.448 0.714 19213 4161 1 5 . 1 1 550 550 LEU CA C 550 53.922 53.922 53.776 0.145 19213 4162 1 5 . 1 1 550 550 LEU CB C 550 42.857 42.857 43.788 -0.931 19213 4163 1 5 . 1 1 550 550 LEU H H 550 9.078 9.078 7.751 1.327 19213 4164 1 5 . 1 1 551 551 ILE N N 551 123.427 123.427 126.665 -3.238 19213 4165 1 5 . 1 1 551 551 ILE HA H 551 5.332 5.332 5.009 0.323 19213 4166 1 5 . 1 1 551 551 ILE C C 551 174.056 174.056 173.902 0.154 19213 4167 1 5 . 1 1 551 551 ILE CA C 551 59.702 59.702 58.909 0.793 19213 4168 1 5 . 1 1 551 551 ILE CB C 551 41.568 41.568 41.081 0.487 19213 4169 1 5 . 1 1 551 551 ILE H H 551 8.382 8.382 7.839 0.543 19213 4170 1 5 . 1 1 552 552 ALA N N 552 129.153 129.153 128.260 0.893 19213 4171 1 5 . 1 1 552 552 ALA HA H 552 5.130 5.130 4.403 0.727 19213 4172 1 5 . 1 1 552 552 ALA C C 552 176.892 176.892 174.840 2.052 19213 4173 1 5 . 1 1 552 552 ALA CA C 552 49.481 49.481 50.086 -0.605 19213 4174 1 5 . 1 1 552 552 ALA CB C 552 22.936 22.936 21.243 1.693 19213 4175 1 5 . 1 1 552 552 ALA H H 552 9.245 9.245 7.683 1.562 19213 4176 1 5 . 1 1 553 553 HIS N N 553 117.481 117.481 120.490 -3.009 19213 4177 1 5 . 1 1 553 553 HIS HA H 553 5.879 5.879 4.744 1.135 19213 4178 1 5 . 1 1 553 553 HIS C C 553 175.709 175.709 174.003 1.706 19213 4179 1 5 . 1 1 553 553 HIS CA C 553 52.575 52.575 54.843 -2.268 19213 4180 1 5 . 1 1 553 553 HIS CB C 553 36.391 36.391 34.029 2.362 19213 4181 1 5 . 1 1 553 553 HIS H H 553 9.584 9.584 8.567 1.017 19213 4182 1 5 . 1 1 554 554 GLN N N 554 125.534 125.534 123.091 2.443 19213 4183 1 5 . 1 1 554 554 GLN HA H 554 4.604 4.604 4.446 0.158 19213 4184 1 5 . 1 1 554 554 GLN C C 554 174.647 174.647 175.368 -0.721 19213 4185 1 5 . 1 1 554 554 GLN CA C 554 55.753 55.753 55.366 0.387 19213 4186 1 5 . 1 1 554 554 GLN CB C 554 30.350 30.350 29.442 0.908 19213 4187 1 5 . 1 1 554 554 GLN H H 554 9.240 9.240 8.898 0.342 19213 4188 1 5 . 1 1 555 555 ALA N N 555 135.281 135.281 128.603 6.678 19213 4189 1 5 . 1 1 555 555 ALA HA H 555 4.543 4.543 4.152 0.391 19213 4190 1 5 . 1 1 555 555 ALA C C 555 177.707 177.707 176.930 0.777 19213 4191 1 5 . 1 1 555 555 ALA CA C 555 53.062 53.062 52.666 0.396 19213 4192 1 5 . 1 1 555 555 ALA CB C 555 19.238 19.238 17.689 1.549 19213 4193 1 5 . 1 1 555 555 ALA H H 555 11.446 11.446 8.555 2.891 19213 4194 1 5 . 1 1 556 556 SER N N 556 110.784 110.784 113.621 -2.837 19213 4195 1 5 . 1 1 556 556 SER HA H 556 4.190 4.190 4.677 -0.487 19213 4196 1 5 . 1 1 556 556 SER C C 556 174.538 174.538 173.578 0.960 19213 4197 1 5 . 1 1 556 556 SER CA C 556 60.691 60.691 59.313 1.378 19213 4198 1 5 . 1 1 556 556 SER CB C 556 63.729 63.729 65.197 -1.468 19213 4199 1 5 . 1 1 556 556 SER H H 556 8.106 8.106 7.935 0.171 19213 4200 1 5 . 1 1 557 557 GLU N N 557 118.812 118.812 119.561 -0.749 19213 4201 1 5 . 1 1 557 557 GLU CA C 557 53.779 53.779 53.441 0.338 19213 4202 1 5 . 1 1 557 557 GLU CB C 557 30.585 30.585 30.718 -0.133 19213 4203 1 5 . 1 1 557 557 GLU H H 557 7.380 7.380 7.737 -0.357 19213 4204 1 5 . 1 1 558 558 PRO HA H 558 4.290 4.290 4.525 -0.235 19213 4205 1 5 . 1 1 558 558 PRO C C 558 175.238 175.238 176.360 -1.122 19213 4206 1 5 . 1 1 558 558 PRO CA C 558 62.733 62.733 63.227 -0.494 19213 4207 1 5 . 1 1 558 558 PRO CB C 558 32.892 32.892 32.243 0.649 19213 4208 1 5 . 1 1 559 559 ARG N N 559 121.705 121.705 119.612 2.093 19213 4209 1 5 . 1 1 559 559 ARG HA H 559 3.949 3.949 4.503 -0.554 19213 4210 1 5 . 1 1 559 559 ARG C C 559 171.339 171.339 173.994 -2.655 19213 4211 1 5 . 1 1 559 559 ARG CA C 559 55.522 55.522 55.094 0.428 19213 4212 1 5 . 1 1 559 559 ARG CB C 559 33.266 33.266 33.274 -0.008 19213 4213 1 5 . 1 1 559 559 ARG H H 559 8.106 8.106 8.445 -0.339 19213 4214 1 5 . 1 1 560 560 GLN N N 560 125.611 125.611 124.437 1.174 19213 4215 1 5 . 1 1 560 560 GLN HA H 560 4.386 4.386 3.832 0.554 19213 4216 1 5 . 1 1 560 560 GLN C C 560 175.691 175.691 174.773 0.918 19213 4217 1 5 . 1 1 560 560 GLN CA C 560 53.655 53.655 54.530 -0.875 19213 4218 1 5 . 1 1 560 560 GLN CB C 560 27.650 27.650 29.290 -1.640 19213 4219 1 5 . 1 1 560 560 GLN H H 560 8.295 8.295 8.511 -0.216 19213 4220 1 5 . 1 1 561 561 TRP N N 561 132.619 132.619 125.986 6.633 19213 4221 1 5 . 1 1 561 561 TRP HA H 561 4.449 4.449 4.852 -0.403 19213 4222 1 5 . 1 1 561 561 TRP C C 561 176.089 176.089 176.204 -0.115 19213 4223 1 5 . 1 1 561 561 TRP CA C 561 56.370 56.370 55.770 0.600 19213 4224 1 5 . 1 1 561 561 TRP CB C 561 28.641 28.641 29.542 -0.901 19213 4225 1 5 . 1 1 561 561 TRP H H 561 7.899 7.899 7.005 0.894 19213 4226 1 5 . 1 1 562 562 GLN N N 562 124.398 124.398 123.759 0.639 19213 4227 1 5 . 1 1 562 562 GLN HA H 562 4.465 4.465 4.214 0.251 19213 4228 1 5 . 1 1 562 562 GLN C C 562 177.060 177.060 177.200 -0.140 19213 4229 1 5 . 1 1 562 562 GLN CA C 562 54.712 54.712 55.561 -0.849 19213 4230 1 5 . 1 1 562 562 GLN CB C 562 30.536 30.536 29.641 0.895 19213 4231 1 5 . 1 1 562 562 GLN H H 562 9.714 9.714 8.598 1.116 19213 4232 1 5 . 1 1 563 563 GLU N N 563 124.299 124.299 121.145 3.154 19213 4233 1 5 . 1 1 563 563 GLU HA H 563 3.913 3.913 4.113 -0.200 19213 4234 1 5 . 1 1 563 563 GLU C C 563 178.669 178.669 178.626 0.043 19213 4235 1 5 . 1 1 563 563 GLU CA C 563 61.261 61.261 59.872 1.389 19213 4236 1 5 . 1 1 563 563 GLU CB C 563 29.246 29.246 29.167 0.079 19213 4237 1 5 . 1 1 563 563 GLU H H 563 9.197 9.197 9.010 0.187 19213 4238 1 5 . 1 1 564 564 ILE N N 564 115.325 115.325 119.381 -4.056 19213 4239 1 5 . 1 1 564 564 ILE HA H 564 4.217 4.217 3.882 0.335 19213 4240 1 5 . 1 1 564 564 ILE C C 564 177.495 177.495 178.207 -0.712 19213 4241 1 5 . 1 1 564 564 ILE CA C 564 63.396 63.396 64.033 -0.637 19213 4242 1 5 . 1 1 564 564 ILE CB C 564 37.815 37.815 36.367 1.448 19213 4243 1 5 . 1 1 564 564 ILE H H 564 8.482 8.482 8.287 0.195 19213 4244 1 5 . 1 1 565 565 GLU N N 565 121.151 121.151 119.128 2.023 19213 4245 1 5 . 1 1 565 565 GLU HA H 565 4.014 4.014 4.254 -0.240 19213 4246 1 5 . 1 1 565 565 GLU C C 565 178.136 178.136 179.425 -1.289 19213 4247 1 5 . 1 1 565 565 GLU CA C 565 58.734 58.734 59.442 -0.708 19213 4248 1 5 . 1 1 565 565 GLU CB C 565 29.617 29.617 28.966 0.651 19213 4249 1 5 . 1 1 565 565 GLU H H 565 6.700 6.700 7.721 -1.021 19213 4250 1 5 . 1 1 566 566 ILE N N 566 119.835 119.835 120.237 -0.402 19213 4251 1 5 . 1 1 566 566 ILE HA H 566 3.450 3.450 4.121 -0.671 19213 4252 1 5 . 1 1 566 566 ILE C C 566 178.664 178.664 178.451 0.213 19213 4253 1 5 . 1 1 566 566 ILE CA C 566 66.463 66.463 63.519 2.944 19213 4254 1 5 . 1 1 566 566 ILE CB C 566 38.360 38.360 36.711 1.649 19213 4255 1 5 . 1 1 566 566 ILE H H 566 8.122 8.122 7.269 0.853 19213 4256 1 5 . 1 1 567 567 ASP N N 567 120.402 120.402 120.595 -0.193 19213 4257 1 5 . 1 1 567 567 ASP HA H 567 4.372 4.372 4.263 0.109 19213 4258 1 5 . 1 1 567 567 ASP C C 567 179.395 179.395 178.675 0.720 19213 4259 1 5 . 1 1 567 567 ASP CA C 567 57.846 57.846 57.735 0.111 19213 4260 1 5 . 1 1 567 567 ASP CB C 567 40.610 40.610 40.572 0.039 19213 4261 1 5 . 1 1 567 567 ASP H H 567 8.503 8.503 7.893 0.610 19213 4262 1 5 . 1 1 568 568 GLN N N 568 118.044 118.044 118.497 -0.453 19213 4263 1 5 . 1 1 568 568 GLN HA H 568 4.147 4.147 4.017 0.130 19213 4264 1 5 . 1 1 568 568 GLN C C 568 179.163 179.163 178.626 0.537 19213 4265 1 5 . 1 1 568 568 GLN CA C 568 59.243 59.243 59.009 0.234 19213 4266 1 5 . 1 1 568 568 GLN CB C 568 29.668 29.668 28.350 1.318 19213 4267 1 5 . 1 1 568 568 GLN H H 568 8.273 8.273 7.728 0.545 19213 4268 1 5 . 1 1 569 569 PHE N N 569 124.363 124.363 120.183 4.180 19213 4269 1 5 . 1 1 569 569 PHE HA H 569 4.303 4.303 4.143 0.160 19213 4270 1 5 . 1 1 569 569 PHE C C 569 177.052 177.052 177.902 -0.850 19213 4271 1 5 . 1 1 569 569 PHE CA C 569 61.230 61.230 61.441 -0.211 19213 4272 1 5 . 1 1 569 569 PHE CB C 569 40.614 40.614 38.627 1.987 19213 4273 1 5 . 1 1 569 569 PHE H H 569 8.962 8.962 8.012 0.950 19213 4274 1 5 . 1 1 570 570 SER N N 570 113.474 113.474 115.642 -2.168 19213 4275 1 5 . 1 1 570 570 SER HA H 570 4.353 4.353 4.076 0.277 19213 4276 1 5 . 1 1 570 570 SER C C 570 177.332 177.332 177.098 0.234 19213 4277 1 5 . 1 1 570 570 SER CA C 570 61.727 61.727 62.671 -0.944 19213 4278 1 5 . 1 1 570 570 SER CB C 570 62.752 62.752 62.960 -0.208 19213 4279 1 5 . 1 1 570 570 SER H H 570 8.880 8.880 8.643 0.237 19213 4280 1 5 . 1 1 571 571 GLU N N 571 122.935 122.935 121.686 1.249 19213 4281 1 5 . 1 1 571 571 GLU HA H 571 4.151 4.151 3.983 0.168 19213 4282 1 5 . 1 1 571 571 GLU C C 571 178.900 178.900 178.956 -0.056 19213 4283 1 5 . 1 1 571 571 GLU CA C 571 59.404 59.404 59.175 0.229 19213 4284 1 5 . 1 1 571 571 GLU CB C 571 29.340 29.340 29.710 -0.370 19213 4285 1 5 . 1 1 571 571 GLU H H 571 8.251 8.251 7.681 0.570 19213 4286 1 5 . 1 1 572 572 LEU N N 572 123.239 123.239 120.472 2.767 19213 4287 1 5 . 1 1 572 572 LEU HA H 572 4.040 4.040 4.032 0.008 19213 4288 1 5 . 1 1 572 572 LEU C C 572 178.222 178.222 178.828 -0.606 19213 4289 1 5 . 1 1 572 572 LEU CA C 572 58.316 58.316 58.042 0.274 19213 4290 1 5 . 1 1 572 572 LEU CB C 572 41.446 41.446 41.707 -0.261 19213 4291 1 5 . 1 1 572 572 LEU H H 572 7.811 7.811 8.304 -0.493 19213 4292 1 5 . 1 1 573 573 ALA N N 573 120.107 120.107 120.280 -0.173 19213 4293 1 5 . 1 1 573 573 ALA HA H 573 3.704 3.704 4.125 -0.421 19213 4294 1 5 . 1 1 573 573 ALA C C 573 180.552 180.552 180.033 0.519 19213 4295 1 5 . 1 1 573 573 ALA CA C 573 55.596 55.596 55.236 0.360 19213 4296 1 5 . 1 1 573 573 ALA CB C 573 19.404 19.404 18.351 1.053 19213 4297 1 5 . 1 1 573 573 ALA H H 573 7.636 7.636 8.822 -1.186 19213 4298 1 5 . 1 1 574 574 SER N N 574 116.333 116.333 114.160 2.173 19213 4299 1 5 . 1 1 574 574 SER HA H 574 4.415 4.415 4.198 0.217 19213 4300 1 5 . 1 1 574 574 SER C C 574 177.418 177.418 176.599 0.819 19213 4301 1 5 . 1 1 574 574 SER CA C 574 61.750 61.750 62.119 -0.369 19213 4302 1 5 . 1 1 574 574 SER CB C 574 62.688 62.688 62.949 -0.261 19213 4303 1 5 . 1 1 574 574 SER H H 574 8.675 8.675 8.658 0.017 19213 4304 1 5 . 1 1 575 575 THR N N 575 120.659 120.659 117.252 3.407 19213 4305 1 5 . 1 1 575 575 THR HA H 575 4.001 4.001 4.054 -0.053 19213 4306 1 5 . 1 1 575 575 THR C C 575 177.033 177.033 176.524 0.509 19213 4307 1 5 . 1 1 575 575 THR CA C 575 66.835 66.835 66.911 -0.076 19213 4308 1 5 . 1 1 575 575 THR CB C 575 68.384 68.384 68.473 -0.089 19213 4309 1 5 . 1 1 575 575 THR H H 575 8.870 8.870 7.934 0.936 19213 4310 1 5 . 1 1 576 576 GLY N N 576 108.168 108.168 109.559 -1.391 19213 4311 1 5 . 1 1 576 576 GLY C C 576 174.221 174.221 175.905 -1.684 19213 4312 1 5 . 1 1 576 576 GLY CA C 576 47.808 47.808 47.160 0.648 19213 4313 1 5 . 1 1 576 576 GLY H H 576 8.687 8.687 7.816 0.871 19213 4314 1 5 . 1 1 577 577 SER N N 577 118.111 118.111 117.334 0.777 19213 4315 1 5 . 1 1 577 577 SER HA H 577 3.889 3.889 3.969 -0.080 19213 4316 1 5 . 1 1 577 577 SER C C 577 174.830 174.830 176.659 -1.829 19213 4317 1 5 . 1 1 577 577 SER CA C 577 63.606 63.606 61.658 1.948 19213 4318 1 5 . 1 1 577 577 SER CB C 577 62.564 62.564 62.783 -0.219 19213 4319 1 5 . 1 1 577 577 SER H H 577 8.314 8.314 7.707 0.607 19213 4320 1 5 . 1 1 578 578 LEU N N 578 122.532 122.532 120.966 1.566 19213 4321 1 5 . 1 1 578 578 LEU HA H 578 3.785 3.785 4.107 -0.322 19213 4322 1 5 . 1 1 578 578 LEU C C 578 179.351 179.351 179.546 -0.195 19213 4323 1 5 . 1 1 578 578 LEU CA C 578 58.109 58.109 57.425 0.684 19213 4324 1 5 . 1 1 578 578 LEU CB C 578 41.837 41.837 41.242 0.595 19213 4325 1 5 . 1 1 578 578 LEU H H 578 7.841 7.841 7.467 0.374 19213 4326 1 5 . 1 1 579 579 VAL N N 579 122.455 122.455 118.735 3.720 19213 4327 1 5 . 1 1 579 579 VAL CA C 579 59.949 59.949 66.018 -6.069 19213 4328 1 5 . 1 1 579 579 VAL CB C 579 31.167 31.167 31.353 -0.186 19213 4329 1 5 . 1 1 579 579 VAL H H 579 8.789 8.789 7.279 1.510 19213 4330 1 5 . 1 1 582 582 ARG HA H 582 3.694 3.694 4.308 -0.614 19213 4331 1 5 . 1 1 582 582 ARG C C 582 170.822 170.822 179.227 -8.405 19213 4332 1 5 . 1 1 582 582 ARG CA C 582 58.211 58.211 58.932 -0.721 19213 4333 1 5 . 1 1 582 582 ARG CB C 582 30.031 30.031 30.234 -0.203 19213 4334 1 5 . 1 1 583 583 LEU N N 583 118.579 118.579 120.051 -1.472 19213 4335 1 5 . 1 1 583 583 LEU CA C 583 58.995 58.995 57.727 1.268 19213 4336 1 5 . 1 1 583 583 LEU CB C 583 42.668 42.668 41.759 0.909 19213 4337 1 5 . 1 1 583 583 LEU H H 583 7.100 7.100 7.632 -0.532 19213 4338 1 5 . 1 1 585 585 PHE C C 585 176.850 176.850 174.342 2.508 19213 4339 1 5 . 1 1 585 585 PHE CA C 585 54.882 54.882 57.802 -2.920 19213 4340 1 5 . 1 1 585 585 PHE CB C 585 41.019 41.019 39.957 1.062 19213 4341 1 5 . 1 1 586 586 LEU N N 586 122.944 122.944 123.055 -0.111 19213 4342 1 5 . 1 1 586 586 LEU CA C 586 55.891 55.891 53.754 2.137 19213 4343 1 5 . 1 1 586 586 LEU CB C 586 42.021 42.021 46.752 -4.731 19213 4344 1 5 . 1 1 586 586 LEU H H 586 8.147 8.147 8.175 -0.028 19213 4345 1 5 . 1 1 587 587 GLU HA H 587 4.213 4.213 4.022 0.191 19213 4346 1 5 . 1 1 587 587 GLU C C 587 176.917 176.917 177.548 -0.631 19213 4347 1 5 . 1 1 587 587 GLU CA C 587 57.437 57.437 59.425 -1.988 19213 4348 1 5 . 1 1 587 587 GLU CB C 587 30.047 30.047 29.667 0.380 19213 4349 1 5 . 1 1 588 588 GLN N N 588 120.604 120.604 116.188 4.416 19213 4350 1 5 . 1 1 588 588 GLN CA C 588 57.300 57.300 55.716 1.584 19213 4351 1 5 . 1 1 588 588 GLN CB C 588 30.196 30.196 27.969 2.227 19213 4352 1 5 . 1 1 588 588 GLN H H 588 8.402 8.402 8.113 0.289 19213 4353 1 5 . 1 1 589 589 THR HA H 589 4.167 4.167 4.108 0.059 19213 4354 1 5 . 1 1 589 589 THR C C 589 174.851 174.851 175.508 -0.657 19213 4355 1 5 . 1 1 589 589 THR CA C 589 62.959 62.959 63.671 -0.712 19213 4356 1 5 . 1 1 589 589 THR CB C 589 69.693 69.693 68.914 0.779 19213 4357 1 5 . 1 1 590 590 ILE N N 590 123.158 123.158 122.412 0.746 19213 4358 1 5 . 1 1 590 590 ILE CA C 590 61.524 61.524 61.413 0.112 19213 4359 1 5 . 1 1 590 590 ILE CB C 590 38.402 38.402 35.479 2.923 19213 4360 1 5 . 1 1 590 590 ILE H H 590 8.028 8.028 8.122 -0.094 19213 4361 1 5 . 1 1 591 591 ALA HA H 591 4.180 4.180 4.176 0.004 19213 4362 1 5 . 1 1 591 591 ALA C C 591 178.457 178.457 178.644 -0.187 19213 4363 1 5 . 1 1 591 591 ALA CA C 591 53.569 53.569 54.022 -0.453 19213 4364 1 5 . 1 1 591 591 ALA CB C 591 18.733 18.733 18.885 -0.152 19213 4365 1 5 . 1 1 592 592 SER N N 592 113.507 113.507 113.535 -0.028 19213 4366 1 5 . 1 1 592 592 SER HA H 592 4.290 4.290 4.265 0.025 19213 4367 1 5 . 1 1 592 592 SER C C 592 174.913 174.913 175.421 -0.508 19213 4368 1 5 . 1 1 592 592 SER CA C 592 58.992 58.992 59.024 -0.032 19213 4369 1 5 . 1 1 592 592 SER CB C 592 63.550 63.550 63.474 0.076 19213 4370 1 5 . 1 1 592 592 SER H H 592 7.946 7.946 8.287 -0.341 19213 4371 1 6 . 1 1 430 430 ALA N N 430 132.375 132.375 124.202 8.173 19213 4372 1 6 . 1 1 430 430 ALA CA C 430 51.092 51.092 51.561 -0.469 19213 4373 1 6 . 1 1 430 430 ALA CB C 430 21.474 21.474 19.519 1.955 19213 4374 1 6 . 1 1 430 430 ALA H H 430 8.772 8.772 8.305 0.467 19213 4375 1 6 . 1 1 431 431 ALA N N 431 117.710 117.710 126.836 -9.126 19213 4376 1 6 . 1 1 431 431 ALA HA H 431 4.346 4.346 4.526 -0.180 19213 4377 1 6 . 1 1 431 431 ALA C C 431 177.537 177.537 177.118 0.419 19213 4378 1 6 . 1 1 431 431 ALA CA C 431 52.341 52.341 51.567 0.774 19213 4379 1 6 . 1 1 431 431 ALA CB C 431 19.209 19.209 19.224 -0.014 19213 4380 1 6 . 1 1 431 431 ALA H H 431 8.180 8.180 8.380 -0.200 19213 4381 1 6 . 1 1 432 432 VAL N N 432 120.378 120.378 120.547 -0.169 19213 4382 1 6 . 1 1 432 432 VAL HA H 432 4.045 4.045 4.394 -0.349 19213 4383 1 6 . 1 1 432 432 VAL C C 432 175.692 175.692 175.163 0.529 19213 4384 1 6 . 1 1 432 432 VAL CA C 432 62.172 62.172 61.749 0.423 19213 4385 1 6 . 1 1 432 432 VAL CB C 432 33.029 33.029 32.797 0.231 19213 4386 1 6 . 1 1 432 432 VAL H H 432 8.191 8.191 8.292 -0.101 19213 4387 1 6 . 1 1 433 433 GLN N N 433 124.398 124.398 124.390 0.008 19213 4388 1 6 . 1 1 433 433 GLN CA C 433 54.855 54.855 54.966 -0.111 19213 4389 1 6 . 1 1 433 433 GLN CB C 433 29.530 29.530 31.284 -1.754 19213 4390 1 6 . 1 1 433 433 GLN H H 433 8.525 8.525 8.428 0.097 19213 4391 1 6 . 1 1 435 435 SER HA H 435 4.074 4.074 4.202 -0.128 19213 4392 1 6 . 1 1 435 435 SER C C 435 178.865 178.865 175.553 3.312 19213 4393 1 6 . 1 1 435 435 SER CA C 435 60.402 60.402 60.095 0.307 19213 4394 1 6 . 1 1 435 435 SER CB C 435 62.858 62.858 62.814 0.044 19213 4395 1 6 . 1 1 436 436 GLU N N 436 119.935 119.935 120.414 -0.479 19213 4396 1 6 . 1 1 436 436 GLU HA H 436 4.309 4.309 4.160 0.149 19213 4397 1 6 . 1 1 436 436 GLU C C 436 176.654 176.654 176.643 0.011 19213 4398 1 6 . 1 1 436 436 GLU CA C 436 56.095 56.095 57.909 -1.814 19213 4399 1 6 . 1 1 436 436 GLU CB C 436 30.278 30.278 29.929 0.349 19213 4400 1 6 . 1 1 436 436 GLU H H 436 7.847 7.847 7.622 0.225 19213 4401 1 6 . 1 1 437 437 LEU N N 437 120.616 120.616 120.697 -0.081 19213 4402 1 6 . 1 1 437 437 LEU CA C 437 55.492 55.492 54.721 0.771 19213 4403 1 6 . 1 1 437 437 LEU CB C 437 43.512 43.512 42.467 1.045 19213 4404 1 6 . 1 1 437 437 LEU H H 437 7.349 7.349 7.152 0.197 19213 4405 1 6 . 1 1 440 440 ARG HA H 440 3.274 3.274 3.860 -0.586 19213 4406 1 6 . 1 1 440 440 ARG C C 440 175.983 175.983 178.106 -2.123 19213 4407 1 6 . 1 1 440 440 ARG CA C 440 60.018 60.018 58.704 1.314 19213 4408 1 6 . 1 1 440 440 ARG CB C 440 30.268 30.268 29.834 0.434 19213 4409 1 6 . 1 1 441 441 GLN N N 441 117.801 117.801 119.053 -1.252 19213 4410 1 6 . 1 1 441 441 GLN HA H 441 3.804 3.804 4.468 -0.664 19213 4411 1 6 . 1 1 441 441 GLN C C 441 178.030 178.030 177.465 0.565 19213 4412 1 6 . 1 1 441 441 GLN CA C 441 58.764 58.764 58.440 0.324 19213 4413 1 6 . 1 1 441 441 GLN CB C 441 27.434 27.434 28.313 -0.879 19213 4414 1 6 . 1 1 441 441 GLN H H 441 8.079 8.079 8.536 -0.457 19213 4415 1 6 . 1 1 442 442 ALA N N 442 120.194 120.194 122.496 -2.302 19213 4416 1 6 . 1 1 442 442 ALA HA H 442 4.123 4.123 4.133 -0.010 19213 4417 1 6 . 1 1 442 442 ALA C C 442 181.577 181.577 179.462 2.115 19213 4418 1 6 . 1 1 442 442 ALA CA C 442 54.940 54.940 55.024 -0.084 19213 4419 1 6 . 1 1 442 442 ALA CB C 442 18.705 18.705 18.105 0.600 19213 4420 1 6 . 1 1 442 442 ALA H H 442 7.914 7.914 7.555 0.359 19213 4421 1 6 . 1 1 443 443 ILE N N 443 120.712 120.712 115.756 4.956 19213 4422 1 6 . 1 1 443 443 ILE HA H 443 3.445 3.445 3.590 -0.145 19213 4423 1 6 . 1 1 443 443 ILE C C 443 177.663 177.663 177.806 -0.143 19213 4424 1 6 . 1 1 443 443 ILE CA C 443 65.907 65.907 64.166 1.741 19213 4425 1 6 . 1 1 443 443 ILE CB C 443 37.169 37.169 36.876 0.293 19213 4426 1 6 . 1 1 443 443 ILE H H 443 7.663 7.663 7.265 0.398 19213 4427 1 6 . 1 1 444 444 PHE N N 444 119.033 119.033 119.197 -0.164 19213 4428 1 6 . 1 1 444 444 PHE HA H 444 4.311 4.311 4.146 0.165 19213 4429 1 6 . 1 1 444 444 PHE C C 444 178.273 178.273 177.931 0.342 19213 4430 1 6 . 1 1 444 444 PHE CA C 444 58.956 58.956 61.725 -2.769 19213 4431 1 6 . 1 1 444 444 PHE CB C 444 38.154 38.154 38.027 0.127 19213 4432 1 6 . 1 1 444 444 PHE H H 444 8.077 8.077 7.479 0.598 19213 4433 1 6 . 1 1 445 445 GLU N N 445 115.469 115.469 119.492 -4.023 19213 4434 1 6 . 1 1 445 445 GLU HA H 445 4.399 4.399 4.026 0.373 19213 4435 1 6 . 1 1 445 445 GLU C C 445 179.822 179.822 179.343 0.479 19213 4436 1 6 . 1 1 445 445 GLU CA C 445 58.472 58.472 59.574 -1.102 19213 4437 1 6 . 1 1 445 445 GLU CB C 445 28.797 28.797 29.247 -0.450 19213 4438 1 6 . 1 1 445 445 GLU H H 445 8.746 8.746 8.326 0.420 19213 4439 1 6 . 1 1 446 446 THR N N 446 117.987 117.987 115.863 2.124 19213 4440 1 6 . 1 1 446 446 THR HA H 446 4.067 4.067 3.975 0.092 19213 4441 1 6 . 1 1 446 446 THR C C 446 175.802 175.802 176.359 -0.557 19213 4442 1 6 . 1 1 446 446 THR CA C 446 66.959 66.959 66.627 0.332 19213 4443 1 6 . 1 1 446 446 THR CB C 446 68.289 68.289 68.726 -0.437 19213 4444 1 6 . 1 1 446 446 THR H H 446 8.139 8.139 7.680 0.459 19213 4445 1 6 . 1 1 447 447 LEU N N 447 122.061 122.061 121.432 0.629 19213 4446 1 6 . 1 1 447 447 LEU HA H 447 3.874 3.874 4.235 -0.361 19213 4447 1 6 . 1 1 447 447 LEU C C 447 179.377 179.377 178.428 0.949 19213 4448 1 6 . 1 1 447 447 LEU CA C 447 58.858 58.858 57.630 1.228 19213 4449 1 6 . 1 1 447 447 LEU CB C 447 42.709 42.709 41.828 0.881 19213 4450 1 6 . 1 1 447 447 LEU H H 447 8.608 8.608 7.642 0.966 19213 4451 1 6 . 1 1 448 448 VAL N N 448 108.293 108.293 119.690 -11.397 19213 4452 1 6 . 1 1 448 448 VAL HA H 448 3.973 3.973 3.662 0.311 19213 4453 1 6 . 1 1 448 448 VAL C C 448 177.414 177.414 177.877 -0.463 19213 4454 1 6 . 1 1 448 448 VAL CA C 448 64.624 64.624 66.821 -2.197 19213 4455 1 6 . 1 1 448 448 VAL CB C 448 29.895 29.895 31.503 -1.608 19213 4456 1 6 . 1 1 448 448 VAL H H 448 7.783 7.783 8.247 -0.464 19213 4457 1 6 . 1 1 449 449 ALA N N 449 124.901 124.901 122.407 2.494 19213 4458 1 6 . 1 1 449 449 ALA HA H 449 4.291 4.291 4.037 0.254 19213 4459 1 6 . 1 1 449 449 ALA C C 449 181.177 181.177 179.145 2.032 19213 4460 1 6 . 1 1 449 449 ALA CA C 449 55.144 55.144 55.599 -0.455 19213 4461 1 6 . 1 1 449 449 ALA CB C 449 18.558 18.558 18.300 0.258 19213 4462 1 6 . 1 1 449 449 ALA H H 449 7.477 7.477 8.801 -1.324 19213 4463 1 6 . 1 1 450 450 LYS N N 450 118.438 118.438 118.734 -0.296 19213 4464 1 6 . 1 1 450 450 LYS HA H 450 4.194 4.194 4.111 0.083 19213 4465 1 6 . 1 1 450 450 LYS C C 450 180.027 180.027 179.557 0.470 19213 4466 1 6 . 1 1 450 450 LYS CA C 450 58.274 58.274 59.142 -0.868 19213 4467 1 6 . 1 1 450 450 LYS CB C 450 31.673 31.673 32.414 -0.741 19213 4468 1 6 . 1 1 450 450 LYS H H 450 8.835 8.835 7.588 1.247 19213 4469 1 6 . 1 1 451 451 GLY N N 451 108.035 108.035 107.915 0.120 19213 4470 1 6 . 1 1 451 451 GLY C C 451 173.706 173.706 175.956 -2.250 19213 4471 1 6 . 1 1 451 451 GLY CA C 451 47.992 47.992 47.145 0.847 19213 4472 1 6 . 1 1 451 451 GLY H H 451 8.765 8.765 8.596 0.169 19213 4473 1 6 . 1 1 452 452 ARG N N 452 122.460 122.460 120.285 2.175 19213 4474 1 6 . 1 1 452 452 ARG HA H 452 4.080 4.080 4.254 -0.174 19213 4475 1 6 . 1 1 452 452 ARG C C 452 178.863 178.863 177.580 1.283 19213 4476 1 6 . 1 1 452 452 ARG CA C 452 60.572 60.572 58.840 1.732 19213 4477 1 6 . 1 1 452 452 ARG CB C 452 30.407 30.407 29.951 0.456 19213 4478 1 6 . 1 1 452 452 ARG H H 452 8.272 8.272 8.117 0.155 19213 4479 1 6 . 1 1 453 453 GLU N N 453 119.784 119.784 119.715 0.069 19213 4480 1 6 . 1 1 453 453 GLU HA H 453 4.096 4.096 4.139 -0.043 19213 4481 1 6 . 1 1 453 453 GLU C C 453 178.778 178.778 178.480 0.298 19213 4482 1 6 . 1 1 453 453 GLU CA C 453 59.023 59.023 58.730 0.293 19213 4483 1 6 . 1 1 453 453 GLU CB C 453 30.241 30.241 29.840 0.401 19213 4484 1 6 . 1 1 453 453 GLU H H 453 7.894 7.894 7.780 0.114 19213 4485 1 6 . 1 1 454 454 LEU N N 454 119.313 119.313 118.426 0.887 19213 4486 1 6 . 1 1 454 454 LEU HA H 454 4.171 4.171 4.082 0.089 19213 4487 1 6 . 1 1 454 454 LEU C C 454 178.457 178.457 178.950 -0.493 19213 4488 1 6 . 1 1 454 454 LEU CA C 454 57.869 57.869 57.278 0.591 19213 4489 1 6 . 1 1 454 454 LEU CB C 454 42.922 42.922 42.421 0.501 19213 4490 1 6 . 1 1 454 454 LEU H H 454 8.328 8.328 8.245 0.083 19213 4491 1 6 . 1 1 455 455 LEU N N 455 113.192 113.192 115.301 -2.109 19213 4492 1 6 . 1 1 455 455 LEU HA H 455 4.380 4.380 4.294 0.086 19213 4493 1 6 . 1 1 455 455 LEU C C 455 176.795 176.795 176.351 0.444 19213 4494 1 6 . 1 1 455 455 LEU CA C 455 54.643 54.643 54.496 0.147 19213 4495 1 6 . 1 1 455 455 LEU CB C 455 43.897 43.897 42.166 1.731 19213 4496 1 6 . 1 1 455 455 LEU H H 455 7.424 7.424 7.425 -0.001 19213 4497 1 6 . 1 1 456 456 ALA N N 456 124.175 124.175 119.598 4.577 19213 4498 1 6 . 1 1 456 456 ALA HA H 456 4.244 4.244 4.168 0.076 19213 4499 1 6 . 1 1 456 456 ALA C C 456 177.051 177.051 176.906 0.145 19213 4500 1 6 . 1 1 456 456 ALA CA C 456 52.975 52.975 52.443 0.532 19213 4501 1 6 . 1 1 456 456 ALA CB C 456 16.514 16.514 16.246 0.268 19213 4502 1 6 . 1 1 456 456 ALA H H 456 8.573 8.573 7.229 1.344 19213 4503 1 6 . 1 1 457 457 CYS N N 457 111.282 111.282 117.915 -6.633 19213 4504 1 6 . 1 1 457 457 CYS HA H 457 5.592 5.592 4.555 1.037 19213 4505 1 6 . 1 1 457 457 CYS C C 457 172.935 172.935 175.280 -2.345 19213 4506 1 6 . 1 1 457 457 CYS CA C 457 54.876 54.876 58.921 -4.045 19213 4507 1 6 . 1 1 457 457 CYS CB C 457 29.887 29.887 29.592 0.295 19213 4508 1 6 . 1 1 457 457 CYS H H 457 7.000 7.000 7.938 -0.938 19213 4509 1 6 . 1 1 458 458 ASP N N 458 117.373 117.373 121.517 -4.144 19213 4510 1 6 . 1 1 458 458 ASP HA H 458 4.834 4.834 4.611 0.223 19213 4511 1 6 . 1 1 458 458 ASP C C 458 175.463 175.463 175.509 -0.046 19213 4512 1 6 . 1 1 458 458 ASP CA C 458 57.972 57.972 56.607 1.365 19213 4513 1 6 . 1 1 458 458 ASP CB C 458 42.753 42.753 41.516 1.237 19213 4514 1 6 . 1 1 458 458 ASP H H 458 7.265 7.265 8.482 -1.217 19213 4515 1 6 . 1 1 459 459 ARG N N 459 117.328 117.328 117.923 -0.595 19213 4516 1 6 . 1 1 459 459 ARG HA H 459 5.511 5.511 5.040 0.471 19213 4517 1 6 . 1 1 459 459 ARG C C 459 174.652 174.652 173.741 0.911 19213 4518 1 6 . 1 1 459 459 ARG CA C 459 55.593 55.593 55.123 0.470 19213 4519 1 6 . 1 1 459 459 ARG CB C 459 35.294 35.294 33.762 1.532 19213 4520 1 6 . 1 1 459 459 ARG H H 459 8.099 8.099 7.522 0.577 19213 4521 1 6 . 1 1 460 460 VAL N N 460 127.029 127.029 119.911 7.118 19213 4522 1 6 . 1 1 460 460 VAL HA H 460 5.182 5.182 4.532 0.650 19213 4523 1 6 . 1 1 460 460 VAL C C 460 174.538 174.538 172.848 1.690 19213 4524 1 6 . 1 1 460 460 VAL CA C 460 61.684 61.684 60.510 1.174 19213 4525 1 6 . 1 1 460 460 VAL CB C 460 35.157 35.157 34.563 0.594 19213 4526 1 6 . 1 1 460 460 VAL H H 460 9.215 9.215 8.359 0.856 19213 4527 1 6 . 1 1 461 461 ILE N N 461 118.191 118.191 124.712 -6.521 19213 4528 1 6 . 1 1 461 461 ILE HA H 461 5.269 5.269 4.362 0.907 19213 4529 1 6 . 1 1 461 461 ILE C C 461 174.436 174.436 174.214 0.222 19213 4530 1 6 . 1 1 461 461 ILE CA C 461 58.897 58.897 60.459 -1.562 19213 4531 1 6 . 1 1 461 461 ILE CB C 461 41.973 41.973 40.472 1.500 19213 4532 1 6 . 1 1 461 461 ILE H H 461 9.051 9.051 8.325 0.726 19213 4533 1 6 . 1 1 462 462 VAL N N 462 119.036 119.036 124.421 -5.385 19213 4534 1 6 . 1 1 462 462 VAL HA H 462 4.218 4.218 4.395 -0.177 19213 4535 1 6 . 1 1 462 462 VAL C C 462 173.040 173.040 174.238 -1.198 19213 4536 1 6 . 1 1 462 462 VAL CA C 462 62.382 62.382 60.443 1.939 19213 4537 1 6 . 1 1 462 462 VAL CB C 462 33.016 33.016 33.698 -0.682 19213 4538 1 6 . 1 1 462 462 VAL H H 462 7.266 7.266 8.092 -0.826 19213 4539 1 6 . 1 1 463 463 TYR N N 463 131.813 131.813 122.781 9.032 19213 4540 1 6 . 1 1 463 463 TYR HA H 463 4.634 4.634 5.044 -0.410 19213 4541 1 6 . 1 1 463 463 TYR C C 463 172.062 172.062 172.899 -0.837 19213 4542 1 6 . 1 1 463 463 TYR CA C 463 54.971 54.971 55.043 -0.072 19213 4543 1 6 . 1 1 463 463 TYR CB C 463 40.572 40.572 40.998 -0.426 19213 4544 1 6 . 1 1 463 463 TYR H H 463 8.796 8.796 7.350 1.446 19213 4545 1 6 . 1 1 464 464 ALA N N 464 127.309 127.309 123.578 3.731 19213 4546 1 6 . 1 1 464 464 ALA HA H 464 3.810 3.810 4.224 -0.414 19213 4547 1 6 . 1 1 464 464 ALA C C 464 176.605 176.605 175.776 0.829 19213 4548 1 6 . 1 1 464 464 ALA CA C 464 50.931 50.931 50.320 0.611 19213 4549 1 6 . 1 1 464 464 ALA CB C 464 21.945 21.945 19.726 2.219 19213 4550 1 6 . 1 1 464 464 ALA H H 464 8.423 8.423 8.190 0.233 19213 4551 1 6 . 1 1 465 465 PHE N N 465 119.567 119.567 120.275 -0.708 19213 4552 1 6 . 1 1 465 465 PHE HA H 465 4.635 4.635 4.391 0.244 19213 4553 1 6 . 1 1 465 465 PHE C C 465 176.576 176.576 175.674 0.902 19213 4554 1 6 . 1 1 465 465 PHE CA C 465 57.430 57.430 59.760 -2.330 19213 4555 1 6 . 1 1 465 465 PHE CB C 465 41.434 41.434 40.061 1.373 19213 4556 1 6 . 1 1 465 465 PHE H H 465 7.687 7.687 8.616 -0.929 19213 4557 1 6 . 1 1 466 466 ASP N N 466 120.914 120.914 122.270 -1.356 19213 4558 1 6 . 1 1 466 466 ASP HA H 466 4.699 4.699 4.884 -0.185 19213 4559 1 6 . 1 1 466 466 ASP C C 466 178.481 178.481 176.832 1.649 19213 4560 1 6 . 1 1 466 466 ASP CA C 466 51.837 51.837 53.196 -1.359 19213 4561 1 6 . 1 1 466 466 ASP CB C 466 40.950 40.950 42.632 -1.682 19213 4562 1 6 . 1 1 466 466 ASP H H 466 7.829 7.829 8.061 -0.232 19213 4563 1 6 . 1 1 467 467 ASP N N 467 115.889 115.889 117.677 -1.788 19213 4564 1 6 . 1 1 467 467 ASP HA H 467 4.018 4.018 4.590 -0.572 19213 4565 1 6 . 1 1 467 467 ASP C C 467 176.022 176.022 175.997 0.025 19213 4566 1 6 . 1 1 467 467 ASP CA C 467 56.052 56.052 56.025 0.027 19213 4567 1 6 . 1 1 467 467 ASP CB C 467 40.144 40.144 40.526 -0.382 19213 4568 1 6 . 1 1 467 467 ASP H H 467 8.138 8.138 8.721 -0.583 19213 4569 1 6 . 1 1 468 468 ASN N N 468 116.903 116.903 117.811 -0.908 19213 4570 1 6 . 1 1 468 468 ASN HA H 468 4.954 4.954 4.830 0.124 19213 4571 1 6 . 1 1 468 468 ASN C C 468 174.155 174.155 174.727 -0.572 19213 4572 1 6 . 1 1 468 468 ASN CA C 468 52.052 52.052 52.427 -0.375 19213 4573 1 6 . 1 1 468 468 ASN CB C 468 39.733 39.733 38.113 1.620 19213 4574 1 6 . 1 1 468 468 ASN H H 468 8.076 8.076 8.171 -0.095 19213 4575 1 6 . 1 1 469 469 TYR N N 469 112.788 112.788 114.024 -1.236 19213 4576 1 6 . 1 1 469 469 TYR HA H 469 3.249 3.249 4.160 -0.911 19213 4577 1 6 . 1 1 469 469 TYR C C 469 175.377 175.377 174.629 0.748 19213 4578 1 6 . 1 1 469 469 TYR CA C 469 61.891 61.891 59.156 2.735 19213 4579 1 6 . 1 1 469 469 TYR CB C 469 34.352 34.352 35.790 -1.438 19213 4580 1 6 . 1 1 469 469 TYR H H 469 7.785 7.785 7.580 0.205 19213 4581 1 6 . 1 1 470 470 VAL N N 470 122.718 122.718 117.923 4.795 19213 4582 1 6 . 1 1 470 470 VAL HA H 470 4.010 4.010 4.232 -0.222 19213 4583 1 6 . 1 1 470 470 VAL CA C 470 63.699 63.699 61.256 2.443 19213 4584 1 6 . 1 1 470 470 VAL CB C 470 30.721 30.721 34.001 -3.280 19213 4585 1 6 . 1 1 470 470 VAL H H 470 8.666 8.666 7.353 1.313 19213 4586 1 6 . 1 1 471 471 GLY C C 471 170.959 170.959 173.240 -2.281 19213 4587 1 6 . 1 1 471 471 GLY CA C 471 43.674 43.674 44.069 -0.395 19213 4588 1 6 . 1 1 472 472 THR N N 472 118.003 118.003 115.945 2.058 19213 4589 1 6 . 1 1 472 472 THR HA H 472 4.931 4.931 4.443 0.488 19213 4590 1 6 . 1 1 472 472 THR C C 472 174.282 174.282 173.624 0.658 19213 4591 1 6 . 1 1 472 472 THR CA C 472 61.142 61.142 62.090 -0.948 19213 4592 1 6 . 1 1 472 472 THR CB C 472 70.941 70.941 70.686 0.255 19213 4593 1 6 . 1 1 472 472 THR H H 472 8.150 8.150 7.980 0.170 19213 4594 1 6 . 1 1 473 473 VAL N N 473 126.802 126.802 129.837 -3.035 19213 4595 1 6 . 1 1 473 473 VAL HA H 473 4.552 4.552 4.099 0.453 19213 4596 1 6 . 1 1 473 473 VAL C C 473 175.472 175.472 175.674 -0.202 19213 4597 1 6 . 1 1 473 473 VAL CA C 473 62.066 62.066 63.627 -1.561 19213 4598 1 6 . 1 1 473 473 VAL CB C 473 29.572 29.572 30.563 -0.991 19213 4599 1 6 . 1 1 473 473 VAL H H 473 8.740 8.740 9.215 -0.475 19213 4600 1 6 . 1 1 474 474 VAL N N 474 122.729 122.729 128.221 -5.492 19213 4601 1 6 . 1 1 474 474 VAL HA H 474 4.394 4.394 4.169 0.225 19213 4602 1 6 . 1 1 474 474 VAL C C 474 175.653 175.653 174.212 1.441 19213 4603 1 6 . 1 1 474 474 VAL CA C 474 62.168 62.168 61.418 0.750 19213 4604 1 6 . 1 1 474 474 VAL CB C 474 32.041 32.041 33.123 -1.082 19213 4605 1 6 . 1 1 474 474 VAL H H 474 7.753 7.753 7.858 -0.105 19213 4606 1 6 . 1 1 475 475 ALA N N 475 117.768 117.768 118.957 -1.189 19213 4607 1 6 . 1 1 475 475 ALA HA H 475 4.493 4.493 4.653 -0.160 19213 4608 1 6 . 1 1 475 475 ALA C C 475 174.317 174.317 174.576 -0.259 19213 4609 1 6 . 1 1 475 475 ALA CA C 475 52.144 52.144 51.859 0.285 19213 4610 1 6 . 1 1 475 475 ALA CB C 475 23.434 23.434 20.887 2.547 19213 4611 1 6 . 1 1 475 475 ALA H H 475 7.366 7.366 7.116 0.250 19213 4612 1 6 . 1 1 476 476 GLU N N 476 122.294 122.294 122.416 -0.122 19213 4613 1 6 . 1 1 476 476 GLU HA H 476 5.143 5.143 4.625 0.518 19213 4614 1 6 . 1 1 476 476 GLU C C 476 173.452 173.452 174.527 -1.075 19213 4615 1 6 . 1 1 476 476 GLU CA C 476 55.216 55.216 55.789 -0.574 19213 4616 1 6 . 1 1 476 476 GLU CB C 476 36.288 36.288 33.181 3.107 19213 4617 1 6 . 1 1 476 476 GLU H H 476 8.455 8.455 8.490 -0.035 19213 4618 1 6 . 1 1 477 477 SER N N 477 121.014 121.014 119.487 1.527 19213 4619 1 6 . 1 1 477 477 SER HA H 477 4.910 4.910 4.911 -0.001 19213 4620 1 6 . 1 1 477 477 SER C C 477 173.417 173.417 172.265 1.152 19213 4621 1 6 . 1 1 477 477 SER CA C 477 56.576 56.576 56.997 -0.421 19213 4622 1 6 . 1 1 477 477 SER CB C 477 63.836 63.836 64.896 -1.060 19213 4623 1 6 . 1 1 477 477 SER H H 477 8.867 8.867 8.459 0.408 19213 4624 1 6 . 1 1 478 478 VAL N N 478 128.791 128.791 122.519 6.272 19213 4625 1 6 . 1 1 478 478 VAL HA H 478 5.361 5.361 4.726 0.635 19213 4626 1 6 . 1 1 478 478 VAL C C 478 172.729 172.729 174.782 -2.053 19213 4627 1 6 . 1 1 478 478 VAL CA C 478 58.657 58.657 59.026 -0.369 19213 4628 1 6 . 1 1 478 478 VAL CB C 478 35.971 35.971 35.474 0.497 19213 4629 1 6 . 1 1 478 478 VAL H H 478 9.143 9.143 8.291 0.852 19213 4630 1 6 . 1 1 479 479 ALA N N 479 129.671 129.671 129.427 0.244 19213 4631 1 6 . 1 1 479 479 ALA HA H 479 4.373 4.373 4.386 -0.013 19213 4632 1 6 . 1 1 479 479 ALA C C 479 176.732 176.732 177.404 -0.672 19213 4633 1 6 . 1 1 479 479 ALA CA C 479 52.231 52.231 52.501 -0.270 19213 4634 1 6 . 1 1 479 479 ALA CB C 479 20.053 20.053 19.781 0.272 19213 4635 1 6 . 1 1 479 479 ALA H H 479 8.632 8.632 8.403 0.229 19213 4636 1 6 . 1 1 480 480 GLU N N 480 120.434 120.434 120.584 -0.150 19213 4637 1 6 . 1 1 480 480 GLU HA H 480 4.028 4.028 4.041 -0.013 19213 4638 1 6 . 1 1 480 480 GLU C C 480 177.151 177.151 176.986 0.165 19213 4639 1 6 . 1 1 480 480 GLU CA C 480 58.179 58.179 57.773 0.406 19213 4640 1 6 . 1 1 480 480 GLU CB C 480 29.797 29.797 29.401 0.396 19213 4641 1 6 . 1 1 480 480 GLU H H 480 8.558 8.558 8.601 -0.043 19213 4642 1 6 . 1 1 481 481 GLY N N 481 110.914 110.914 110.954 -0.040 19213 4643 1 6 . 1 1 481 481 GLY C C 481 174.073 174.073 173.761 0.312 19213 4644 1 6 . 1 1 481 481 GLY CA C 481 44.681 44.681 44.150 0.531 19213 4645 1 6 . 1 1 481 481 GLY H H 481 8.539 8.539 8.476 0.063 19213 4646 1 6 . 1 1 482 482 TRP N N 482 119.508 119.508 122.158 -2.650 19213 4647 1 6 . 1 1 482 482 TRP HA H 482 5.290 5.290 5.055 0.235 19213 4648 1 6 . 1 1 482 482 TRP CA C 482 53.659 53.659 53.736 -0.077 19213 4649 1 6 . 1 1 482 482 TRP CB C 482 29.487 29.487 29.929 -0.442 19213 4650 1 6 . 1 1 482 482 TRP H H 482 7.009 7.009 7.164 -0.155 19213 4651 1 6 . 1 1 483 483 PRO HA H 483 4.426 4.426 4.422 0.004 19213 4652 1 6 . 1 1 483 483 PRO C C 483 175.722 175.722 175.911 -0.189 19213 4653 1 6 . 1 1 483 483 PRO CA C 483 63.259 63.259 62.957 0.302 19213 4654 1 6 . 1 1 483 483 PRO CB C 483 33.238 33.238 32.319 0.919 19213 4655 1 6 . 1 1 484 484 GLN N N 484 121.488 121.488 122.120 -0.632 19213 4656 1 6 . 1 1 484 484 GLN HA H 484 4.936 4.936 4.334 0.602 19213 4657 1 6 . 1 1 484 484 GLN C C 484 176.405 176.405 175.522 0.883 19213 4658 1 6 . 1 1 484 484 GLN CA C 484 55.688 55.688 55.762 -0.074 19213 4659 1 6 . 1 1 484 484 GLN CB C 484 29.565 29.565 30.235 -0.670 19213 4660 1 6 . 1 1 484 484 GLN H H 484 8.646 8.646 8.468 0.178 19213 4661 1 6 . 1 1 485 485 ALA N N 485 133.617 133.617 125.791 7.826 19213 4662 1 6 . 1 1 485 485 ALA HA H 485 4.340 4.340 4.641 -0.301 19213 4663 1 6 . 1 1 485 485 ALA C C 485 176.317 176.317 176.897 -0.580 19213 4664 1 6 . 1 1 485 485 ALA CA C 485 51.289 51.289 51.843 -0.554 19213 4665 1 6 . 1 1 485 485 ALA CB C 485 20.581 20.581 19.872 0.709 19213 4666 1 6 . 1 1 485 485 ALA H H 485 11.964 11.964 8.319 3.645 19213 4667 1 6 . 1 1 486 486 ARG N N 486 119.720 119.720 119.248 0.472 19213 4668 1 6 . 1 1 486 486 ARG HA H 486 3.300 3.300 3.786 -0.486 19213 4669 1 6 . 1 1 486 486 ARG C C 486 175.502 175.502 175.138 0.364 19213 4670 1 6 . 1 1 486 486 ARG CA C 486 59.200 59.200 56.827 2.373 19213 4671 1 6 . 1 1 486 486 ARG CB C 486 30.648 30.648 30.121 0.527 19213 4672 1 6 . 1 1 486 486 ARG H H 486 8.235 8.235 8.250 -0.015 19213 4673 1 6 . 1 1 487 487 ASP N N 487 119.936 119.936 115.805 4.131 19213 4674 1 6 . 1 1 487 487 ASP HA H 487 4.141 4.141 4.181 -0.040 19213 4675 1 6 . 1 1 487 487 ASP C C 487 175.557 175.557 174.618 0.939 19213 4676 1 6 . 1 1 487 487 ASP CA C 487 57.148 57.148 55.846 1.302 19213 4677 1 6 . 1 1 487 487 ASP CB C 487 39.031 39.031 38.858 0.173 19213 4678 1 6 . 1 1 487 487 ASP H H 487 9.023 9.023 8.854 0.169 19213 4679 1 6 . 1 1 488 488 GLN N N 488 119.954 119.954 117.243 2.711 19213 4680 1 6 . 1 1 488 488 GLN HA H 488 4.147 4.147 4.507 -0.360 19213 4681 1 6 . 1 1 488 488 GLN C C 488 174.993 174.993 174.395 0.598 19213 4682 1 6 . 1 1 488 488 GLN CA C 488 57.475 57.475 54.822 2.653 19213 4683 1 6 . 1 1 488 488 GLN CB C 488 28.866 28.866 31.459 -2.593 19213 4684 1 6 . 1 1 488 488 GLN H H 488 8.200 8.200 7.682 0.518 19213 4685 1 6 . 1 1 489 489 VAL N N 489 124.202 124.202 122.160 2.042 19213 4686 1 6 . 1 1 489 489 VAL HA H 489 4.593 4.593 4.374 0.219 19213 4687 1 6 . 1 1 489 489 VAL C C 489 177.060 177.060 174.644 2.416 19213 4688 1 6 . 1 1 489 489 VAL CA C 489 61.871 61.871 60.172 1.700 19213 4689 1 6 . 1 1 489 489 VAL CB C 489 32.575 32.575 33.286 -0.711 19213 4690 1 6 . 1 1 489 489 VAL H H 489 8.379 8.379 8.410 -0.031 19213 4691 1 6 . 1 1 490 490 ILE N N 490 128.772 128.772 128.354 0.418 19213 4692 1 6 . 1 1 490 490 ILE HA H 490 4.433 4.433 4.185 0.248 19213 4693 1 6 . 1 1 490 490 ILE C C 490 174.634 174.634 174.257 0.377 19213 4694 1 6 . 1 1 490 490 ILE CA C 490 60.464 60.464 60.645 -0.180 19213 4695 1 6 . 1 1 490 490 ILE CB C 490 41.025 41.025 38.768 2.257 19213 4696 1 6 . 1 1 490 490 ILE H H 490 8.952 8.952 8.313 0.639 19213 4697 1 6 . 1 1 491 491 GLU N N 491 130.867 130.867 128.081 2.786 19213 4698 1 6 . 1 1 491 491 GLU HA H 491 4.598 4.598 4.447 0.151 19213 4699 1 6 . 1 1 491 491 GLU C C 491 174.015 174.015 174.917 -0.902 19213 4700 1 6 . 1 1 491 491 GLU CA C 491 55.930 55.930 55.247 0.683 19213 4701 1 6 . 1 1 491 491 GLU CB C 491 28.942 28.942 30.939 -1.998 19213 4702 1 6 . 1 1 491 491 GLU H H 491 9.289 9.289 8.732 0.557 19213 4703 1 6 . 1 1 492 492 ASP N N 492 130.401 130.401 125.156 5.245 19213 4704 1 6 . 1 1 492 492 ASP HA H 492 5.210 5.210 4.968 0.242 19213 4705 1 6 . 1 1 492 492 ASP CA C 492 50.160 50.160 51.635 -1.475 19213 4706 1 6 . 1 1 492 492 ASP CB C 492 43.965 43.965 41.535 2.430 19213 4707 1 6 . 1 1 492 492 ASP H H 492 9.437 9.437 8.257 1.180 19213 4708 1 6 . 1 1 493 493 PRO HA H 493 4.359 4.359 4.476 -0.117 19213 4709 1 6 . 1 1 493 493 PRO C C 493 176.079 176.079 175.391 0.688 19213 4710 1 6 . 1 1 493 493 PRO CA C 493 63.617 63.617 62.534 1.083 19213 4711 1 6 . 1 1 493 493 PRO CB C 493 33.300 33.300 29.951 3.349 19213 4712 1 6 . 1 1 494 494 CYS N N 494 117.251 117.251 117.185 0.066 19213 4713 1 6 . 1 1 494 494 CYS HA H 494 4.147 4.147 4.562 -0.415 19213 4714 1 6 . 1 1 494 494 CYS C C 494 176.789 176.789 176.205 0.584 19213 4715 1 6 . 1 1 494 494 CYS CA C 494 58.195 58.195 59.468 -1.273 19213 4716 1 6 . 1 1 494 494 CYS CB C 494 33.343 33.343 28.616 4.727 19213 4717 1 6 . 1 1 494 494 CYS H H 494 8.806 8.806 7.767 1.039 19213 4718 1 6 . 1 1 495 495 PHE N N 495 118.785 118.785 121.616 -2.831 19213 4719 1 6 . 1 1 495 495 PHE HA H 495 4.328 4.328 4.618 -0.290 19213 4720 1 6 . 1 1 495 495 PHE C C 495 176.529 176.529 177.567 -1.038 19213 4721 1 6 . 1 1 495 495 PHE CA C 495 63.265 63.265 59.952 3.313 19213 4722 1 6 . 1 1 495 495 PHE CB C 495 37.239 37.239 38.002 -0.763 19213 4723 1 6 . 1 1 495 495 PHE H H 495 6.799 6.799 8.323 -1.524 19213 4724 1 6 . 1 1 496 496 ARG N N 496 118.755 118.755 117.940 0.815 19213 4725 1 6 . 1 1 496 496 ARG HA H 496 3.692 3.692 3.239 0.453 19213 4726 1 6 . 1 1 496 496 ARG C C 496 178.119 178.119 176.129 1.990 19213 4727 1 6 . 1 1 496 496 ARG CA C 496 58.495 58.495 57.802 0.693 19213 4728 1 6 . 1 1 496 496 ARG CB C 496 29.942 29.942 28.586 1.356 19213 4729 1 6 . 1 1 496 496 ARG H H 496 9.000 9.000 6.112 2.888 19213 4730 1 6 . 1 1 497 497 GLU N N 497 115.895 115.895 117.992 -2.097 19213 4731 1 6 . 1 1 497 497 GLU HA H 497 3.858 3.858 4.163 -0.305 19213 4732 1 6 . 1 1 497 497 GLU C C 497 177.981 177.981 177.370 0.611 19213 4733 1 6 . 1 1 497 497 GLU CA C 497 58.920 58.920 57.667 1.253 19213 4734 1 6 . 1 1 497 497 GLU CB C 497 29.841 29.841 30.009 -0.168 19213 4735 1 6 . 1 1 497 497 GLU H H 497 7.849 7.849 7.710 0.139 19213 4736 1 6 . 1 1 498 498 HIS N N 498 111.119 111.119 116.109 -4.990 19213 4737 1 6 . 1 1 498 498 HIS HA H 498 4.710 4.710 4.625 0.085 19213 4738 1 6 . 1 1 498 498 HIS CA C 498 55.904 55.904 57.572 -1.668 19213 4739 1 6 . 1 1 498 498 HIS CB C 498 30.890 30.890 30.459 0.431 19213 4740 1 6 . 1 1 498 498 HIS H H 498 7.717 7.717 7.192 0.525 19213 4741 1 6 . 1 1 499 499 TRP HA H 499 5.476 5.476 4.683 0.793 19213 4742 1 6 . 1 1 499 499 TRP C C 499 176.398 176.398 177.650 -1.252 19213 4743 1 6 . 1 1 499 499 TRP CA C 499 58.111 58.111 59.605 -1.494 19213 4744 1 6 . 1 1 499 499 TRP CB C 499 34.294 34.294 28.637 5.657 19213 4745 1 6 . 1 1 500 500 VAL N N 500 121.907 121.907 122.160 -0.253 19213 4746 1 6 . 1 1 500 500 VAL HA H 500 3.421 3.421 3.439 -0.018 19213 4747 1 6 . 1 1 500 500 VAL C C 500 177.163 177.163 177.153 0.010 19213 4748 1 6 . 1 1 500 500 VAL CA C 500 68.043 68.043 66.787 1.256 19213 4749 1 6 . 1 1 500 500 VAL CB C 500 31.127 31.127 32.075 -0.949 19213 4750 1 6 . 1 1 500 500 VAL H H 500 8.071 8.071 7.570 0.501 19213 4751 1 6 . 1 1 501 501 GLU N N 501 117.634 117.634 120.381 -2.747 19213 4752 1 6 . 1 1 501 501 GLU HA H 501 4.130 4.130 3.898 0.232 19213 4753 1 6 . 1 1 501 501 GLU C C 501 178.314 178.314 178.517 -0.203 19213 4754 1 6 . 1 1 501 501 GLU CA C 501 58.781 58.781 59.363 -0.582 19213 4755 1 6 . 1 1 501 501 GLU CB C 501 28.631 28.631 28.659 -0.028 19213 4756 1 6 . 1 1 501 501 GLU H H 501 8.188 8.188 8.590 -0.402 19213 4757 1 6 . 1 1 502 502 ALA N N 502 120.830 120.830 122.246 -1.416 19213 4758 1 6 . 1 1 502 502 ALA HA H 502 4.106 4.106 4.033 0.073 19213 4759 1 6 . 1 1 502 502 ALA C C 502 181.963 181.963 180.280 1.683 19213 4760 1 6 . 1 1 502 502 ALA CA C 502 54.953 54.953 54.784 0.169 19213 4761 1 6 . 1 1 502 502 ALA CB C 502 18.558 18.558 18.101 0.457 19213 4762 1 6 . 1 1 502 502 ALA H H 502 7.996 7.996 8.194 -0.198 19213 4763 1 6 . 1 1 503 503 TYR N N 503 118.238 118.238 119.120 -0.882 19213 4764 1 6 . 1 1 503 503 TYR HA H 503 4.362 4.362 4.429 -0.067 19213 4765 1 6 . 1 1 503 503 TYR C C 503 178.723 178.723 178.943 -0.220 19213 4766 1 6 . 1 1 503 503 TYR CA C 503 64.148 64.148 60.176 3.972 19213 4767 1 6 . 1 1 503 503 TYR CB C 503 39.126 39.126 37.997 1.129 19213 4768 1 6 . 1 1 503 503 TYR H H 503 8.665 8.665 8.096 0.569 19213 4769 1 6 . 1 1 504 504 ARG N N 504 121.723 121.723 118.716 3.007 19213 4770 1 6 . 1 1 504 504 ARG HA H 504 3.905 3.905 4.026 -0.121 19213 4771 1 6 . 1 1 504 504 ARG C C 504 177.714 177.714 177.688 0.026 19213 4772 1 6 . 1 1 504 504 ARG CA C 504 59.679 59.679 58.757 0.922 19213 4773 1 6 . 1 1 504 504 ARG CB C 504 30.495 30.495 29.885 0.610 19213 4774 1 6 . 1 1 504 504 ARG H H 504 8.824 8.824 7.791 1.033 19213 4775 1 6 . 1 1 505 505 GLN N N 505 113.473 113.473 114.367 -0.894 19213 4776 1 6 . 1 1 505 505 GLN HA H 505 4.332 4.332 4.369 -0.037 19213 4777 1 6 . 1 1 505 505 GLN C C 505 176.403 176.403 176.704 -0.301 19213 4778 1 6 . 1 1 505 505 GLN CA C 505 55.387 55.387 55.270 0.117 19213 4779 1 6 . 1 1 505 505 GLN CB C 505 28.792 28.792 29.133 -0.341 19213 4780 1 6 . 1 1 505 505 GLN H H 505 7.613 7.613 7.604 0.009 19213 4781 1 6 . 1 1 506 506 GLY N N 506 106.968 106.968 106.752 0.216 19213 4782 1 6 . 1 1 506 506 GLY C C 506 174.133 174.133 174.250 -0.117 19213 4783 1 6 . 1 1 506 506 GLY CA C 506 45.874 45.874 45.030 0.844 19213 4784 1 6 . 1 1 506 506 GLY H H 506 7.867 7.867 8.269 -0.402 19213 4785 1 6 . 1 1 507 507 ARG N N 507 123.761 123.761 120.199 3.562 19213 4786 1 6 . 1 1 507 507 ARG HA H 507 3.717 3.717 4.511 -0.794 19213 4787 1 6 . 1 1 507 507 ARG C C 507 171.000 171.000 176.140 -5.140 19213 4788 1 6 . 1 1 507 507 ARG CA C 507 58.285 58.285 55.413 2.872 19213 4789 1 6 . 1 1 507 507 ARG CB C 507 29.901 29.901 31.613 -1.712 19213 4790 1 6 . 1 1 507 507 ARG H H 507 7.858 7.858 7.777 0.081 19213 4791 1 6 . 1 1 508 508 ILE N N 508 119.641 119.641 114.808 4.833 19213 4792 1 6 . 1 1 508 508 ILE HA H 508 4.859 4.859 4.522 0.337 19213 4793 1 6 . 1 1 508 508 ILE C C 508 176.521 176.521 174.746 1.775 19213 4794 1 6 . 1 1 508 508 ILE CA C 508 59.199 59.199 59.188 0.011 19213 4795 1 6 . 1 1 508 508 ILE CB C 508 42.573 42.573 41.948 0.625 19213 4796 1 6 . 1 1 508 508 ILE H H 508 7.180 7.180 7.988 -0.808 19213 4797 1 6 . 1 1 509 509 GLN N N 509 125.871 125.871 122.168 3.703 19213 4798 1 6 . 1 1 509 509 GLN HA H 509 4.918 4.918 4.564 0.354 19213 4799 1 6 . 1 1 509 509 GLN C C 509 173.750 173.750 173.696 0.054 19213 4800 1 6 . 1 1 509 509 GLN CA C 509 54.255 54.255 55.258 -1.003 19213 4801 1 6 . 1 1 509 509 GLN CB C 509 32.267 32.267 32.749 -0.482 19213 4802 1 6 . 1 1 509 509 GLN H H 509 8.536 8.536 8.359 0.177 19213 4803 1 6 . 1 1 510 510 ALA N N 510 133.952 133.952 130.010 3.942 19213 4804 1 6 . 1 1 510 510 ALA HA H 510 4.946 4.946 5.872 -0.926 19213 4805 1 6 . 1 1 510 510 ALA C C 510 175.742 175.742 176.940 -1.198 19213 4806 1 6 . 1 1 510 510 ALA CA C 510 51.009 51.009 50.790 0.219 19213 4807 1 6 . 1 1 510 510 ALA CB C 510 21.245 21.245 21.286 -0.041 19213 4808 1 6 . 1 1 510 510 ALA H H 510 8.865 8.865 8.545 0.320 19213 4809 1 6 . 1 1 511 511 THR N N 511 121.442 121.442 121.642 -0.200 19213 4810 1 6 . 1 1 511 511 THR HA H 511 4.652 4.652 4.778 -0.126 19213 4811 1 6 . 1 1 511 511 THR C C 511 174.487 174.487 174.553 -0.066 19213 4812 1 6 . 1 1 511 511 THR CA C 511 62.152 62.152 61.493 0.659 19213 4813 1 6 . 1 1 511 511 THR CB C 511 69.678 69.678 70.713 -1.035 19213 4814 1 6 . 1 1 511 511 THR H H 511 9.368 9.368 9.094 0.274 19213 4815 1 6 . 1 1 512 512 THR N N 512 126.491 126.491 118.954 7.537 19213 4816 1 6 . 1 1 512 512 THR HA H 512 4.706 4.706 3.926 0.780 19213 4817 1 6 . 1 1 512 512 THR C C 512 173.054 173.054 174.087 -1.033 19213 4818 1 6 . 1 1 512 512 THR CA C 512 63.609 63.609 65.871 -2.262 19213 4819 1 6 . 1 1 512 512 THR CB C 512 69.408 69.408 69.153 0.255 19213 4820 1 6 . 1 1 512 512 THR H H 512 8.829 8.829 8.486 0.343 19213 4821 1 6 . 1 1 513 513 ASP N N 513 113.706 113.706 119.396 -5.690 19213 4822 1 6 . 1 1 513 513 ASP HA H 513 5.022 5.022 4.926 0.096 19213 4823 1 6 . 1 1 513 513 ASP C C 513 179.097 179.097 176.660 2.437 19213 4824 1 6 . 1 1 513 513 ASP CA C 513 52.164 52.164 52.174 -0.010 19213 4825 1 6 . 1 1 513 513 ASP CB C 513 42.331 42.331 40.483 1.848 19213 4826 1 6 . 1 1 513 513 ASP H H 513 7.272 7.272 7.992 -0.720 19213 4827 1 6 . 1 1 514 514 ILE N N 514 123.327 123.327 117.553 5.774 19213 4828 1 6 . 1 1 514 514 ILE HA H 514 3.636 3.636 3.885 -0.249 19213 4829 1 6 . 1 1 514 514 ILE C C 514 175.769 175.769 176.168 -0.399 19213 4830 1 6 . 1 1 514 514 ILE CA C 514 63.545 63.545 63.572 -0.027 19213 4831 1 6 . 1 1 514 514 ILE CB C 514 38.180 38.180 37.454 0.726 19213 4832 1 6 . 1 1 514 514 ILE H H 514 8.916 8.916 8.285 0.631 19213 4833 1 6 . 1 1 515 515 PHE N N 515 117.344 117.344 120.053 -2.709 19213 4834 1 6 . 1 1 515 515 PHE HA H 515 4.517 4.517 4.474 0.043 19213 4835 1 6 . 1 1 515 515 PHE C C 515 176.514 176.514 176.160 0.354 19213 4836 1 6 . 1 1 515 515 PHE CA C 515 58.401 58.401 59.491 -1.090 19213 4837 1 6 . 1 1 515 515 PHE CB C 515 37.600 37.600 38.244 -0.644 19213 4838 1 6 . 1 1 515 515 PHE H H 515 8.154 8.154 8.251 -0.097 19213 4839 1 6 . 1 1 516 516 LYS N N 516 120.351 120.351 117.998 2.353 19213 4840 1 6 . 1 1 516 516 LYS HA H 516 4.715 4.715 4.435 0.280 19213 4841 1 6 . 1 1 516 516 LYS C C 516 175.486 175.486 175.565 -0.079 19213 4842 1 6 . 1 1 516 516 LYS CA C 516 54.831 54.831 56.145 -1.314 19213 4843 1 6 . 1 1 516 516 LYS CB C 516 33.581 33.581 34.151 -0.570 19213 4844 1 6 . 1 1 516 516 LYS H H 516 7.634 7.634 8.291 -0.657 19213 4845 1 6 . 1 1 517 517 ALA N N 517 122.264 122.264 122.453 -0.189 19213 4846 1 6 . 1 1 517 517 ALA HA H 517 4.561 4.561 4.535 0.026 19213 4847 1 6 . 1 1 517 517 ALA C C 517 176.799 176.799 177.030 -0.231 19213 4848 1 6 . 1 1 517 517 ALA CA C 517 51.980 51.980 51.942 0.038 19213 4849 1 6 . 1 1 517 517 ALA CB C 517 20.779 20.779 19.517 1.262 19213 4850 1 6 . 1 1 517 517 ALA H H 517 7.552 7.552 7.311 0.241 19213 4851 1 6 . 1 1 518 518 GLY N N 518 110.102 110.102 113.256 -3.154 19213 4852 1 6 . 1 1 518 518 GLY C C 518 175.260 175.260 175.054 0.206 19213 4853 1 6 . 1 1 518 518 GLY CA C 518 46.252 46.252 45.086 1.166 19213 4854 1 6 . 1 1 518 518 GLY H H 518 8.499 8.499 8.524 -0.025 19213 4855 1 6 . 1 1 519 519 LEU N N 519 120.980 120.980 118.011 2.969 19213 4856 1 6 . 1 1 519 519 LEU HA H 519 4.285 4.285 4.119 0.166 19213 4857 1 6 . 1 1 519 519 LEU C C 519 176.687 176.687 176.599 0.088 19213 4858 1 6 . 1 1 519 519 LEU CA C 519 54.291 54.291 56.115 -1.824 19213 4859 1 6 . 1 1 519 519 LEU CB C 519 42.942 42.942 40.964 1.978 19213 4860 1 6 . 1 1 519 519 LEU H H 519 8.418 8.418 8.384 0.034 19213 4861 1 6 . 1 1 520 520 THR N N 520 107.429 107.429 113.186 -5.757 19213 4862 1 6 . 1 1 520 520 THR HA H 520 4.420 4.420 4.541 -0.121 19213 4863 1 6 . 1 1 520 520 THR CA C 520 60.231 60.231 61.530 -1.299 19213 4864 1 6 . 1 1 520 520 THR CB C 520 71.205 71.205 70.489 0.716 19213 4865 1 6 . 1 1 520 520 THR H H 520 6.149 6.149 7.364 -1.215 19213 4866 1 6 . 1 1 521 521 GLU N N 521 118.700 118.700 122.356 -3.656 19213 4867 1 6 . 1 1 521 521 GLU HA H 521 4.173 4.173 4.396 -0.223 19213 4868 1 6 . 1 1 521 521 GLU C C 521 176.567 176.567 175.798 0.769 19213 4869 1 6 . 1 1 521 521 GLU CA C 521 57.220 57.220 56.166 1.054 19213 4870 1 6 . 1 1 521 521 GLU CB C 521 30.353 30.353 29.644 0.709 19213 4871 1 6 . 1 1 521 521 GLU H H 521 7.290 7.290 8.126 -0.836 19213 4872 1 6 . 1 1 522 522 CYS N N 522 121.185 121.185 115.773 5.412 19213 4873 1 6 . 1 1 522 522 CYS HA H 522 4.139 4.139 4.340 -0.201 19213 4874 1 6 . 1 1 522 522 CYS C C 522 177.769 177.769 176.878 0.891 19213 4875 1 6 . 1 1 522 522 CYS CA C 522 61.379 61.379 60.582 0.797 19213 4876 1 6 . 1 1 522 522 CYS CB C 522 32.851 32.851 26.655 6.196 19213 4877 1 6 . 1 1 522 522 CYS H H 522 8.218 8.218 8.841 -0.623 19213 4878 1 6 . 1 1 523 523 HIS N N 523 117.000 117.000 121.047 -4.047 19213 4879 1 6 . 1 1 523 523 HIS HA H 523 3.796 3.796 4.215 -0.419 19213 4880 1 6 . 1 1 523 523 HIS C C 523 177.832 177.832 177.009 0.823 19213 4881 1 6 . 1 1 523 523 HIS CA C 523 59.058 59.058 59.487 -0.429 19213 4882 1 6 . 1 1 523 523 HIS CB C 523 28.841 28.841 29.182 -0.341 19213 4883 1 6 . 1 1 523 523 HIS H H 523 7.333 7.333 8.516 -1.183 19213 4884 1 6 . 1 1 524 524 LEU N N 524 117.403 117.403 117.810 -0.407 19213 4885 1 6 . 1 1 524 524 LEU HA H 524 3.792 3.792 3.649 0.143 19213 4886 1 6 . 1 1 524 524 LEU C C 524 180.184 180.184 178.829 1.355 19213 4887 1 6 . 1 1 524 524 LEU CA C 524 58.223 58.223 57.986 0.237 19213 4888 1 6 . 1 1 524 524 LEU CB C 524 41.482 41.482 41.193 0.289 19213 4889 1 6 . 1 1 524 524 LEU H H 524 8.582 8.582 7.777 0.805 19213 4890 1 6 . 1 1 525 525 ASN N N 525 118.149 118.149 115.532 2.617 19213 4891 1 6 . 1 1 525 525 ASN HA H 525 4.534 4.534 4.521 0.013 19213 4892 1 6 . 1 1 525 525 ASN C C 525 177.023 177.023 177.132 -0.109 19213 4893 1 6 . 1 1 525 525 ASN CA C 525 55.784 55.784 55.416 0.368 19213 4894 1 6 . 1 1 525 525 ASN CB C 525 38.017 38.017 38.172 -0.155 19213 4895 1 6 . 1 1 525 525 ASN H H 525 9.226 9.226 7.711 1.515 19213 4896 1 6 . 1 1 526 526 GLN N N 526 115.619 115.619 118.990 -3.371 19213 4897 1 6 . 1 1 526 526 GLN HA H 526 4.358 4.358 4.250 0.108 19213 4898 1 6 . 1 1 526 526 GLN C C 526 175.801 175.801 176.993 -1.192 19213 4899 1 6 . 1 1 526 526 GLN CA C 526 57.008 57.008 58.187 -1.179 19213 4900 1 6 . 1 1 526 526 GLN CB C 526 28.586 28.586 29.426 -0.840 19213 4901 1 6 . 1 1 526 526 GLN H H 526 7.290 7.290 8.119 -0.829 19213 4902 1 6 . 1 1 527 527 LEU N N 527 115.651 115.651 118.477 -2.826 19213 4903 1 6 . 1 1 527 527 LEU HA H 527 4.130 4.130 4.335 -0.205 19213 4904 1 6 . 1 1 527 527 LEU C C 527 178.587 178.587 177.777 0.810 19213 4905 1 6 . 1 1 527 527 LEU CA C 527 55.568 55.568 54.997 0.571 19213 4906 1 6 . 1 1 527 527 LEU CB C 527 42.148 42.148 41.965 0.183 19213 4907 1 6 . 1 1 527 527 LEU H H 527 6.944 6.944 8.189 -1.245 19213 4908 1 6 . 1 1 528 528 ARG N N 528 121.110 121.110 121.013 0.097 19213 4909 1 6 . 1 1 528 528 ARG HA H 528 4.310 4.310 4.048 0.262 19213 4910 1 6 . 1 1 528 528 ARG CA C 528 61.278 61.278 61.539 -0.261 19213 4911 1 6 . 1 1 528 528 ARG CB C 528 28.800 28.800 28.334 0.466 19213 4912 1 6 . 1 1 528 528 ARG H H 528 8.246 8.246 7.782 0.464 19213 4913 1 6 . 1 1 529 529 PRO HA H 529 4.432 4.432 4.319 0.113 19213 4914 1 6 . 1 1 529 529 PRO C C 529 177.119 177.119 177.107 0.012 19213 4915 1 6 . 1 1 529 529 PRO CA C 529 65.500 65.500 64.840 0.660 19213 4916 1 6 . 1 1 529 529 PRO CB C 529 31.079 31.079 31.408 -0.329 19213 4917 1 6 . 1 1 530 530 LEU N N 530 113.140 113.140 115.301 -2.161 19213 4918 1 6 . 1 1 530 530 LEU HA H 530 4.186 4.186 4.346 -0.160 19213 4919 1 6 . 1 1 530 530 LEU C C 530 176.839 176.839 177.052 -0.213 19213 4920 1 6 . 1 1 530 530 LEU CA C 530 54.360 54.360 54.833 -0.473 19213 4921 1 6 . 1 1 530 530 LEU CB C 530 42.962 42.962 42.066 0.896 19213 4922 1 6 . 1 1 530 530 LEU H H 530 6.908 6.908 7.160 -0.252 19213 4923 1 6 . 1 1 531 531 LYS N N 531 114.250 114.250 116.148 -1.898 19213 4924 1 6 . 1 1 531 531 LYS HA H 531 3.881 3.881 3.901 -0.020 19213 4925 1 6 . 1 1 531 531 LYS C C 531 173.063 173.063 175.379 -2.316 19213 4926 1 6 . 1 1 531 531 LYS CA C 531 57.573 57.573 56.763 0.810 19213 4927 1 6 . 1 1 531 531 LYS CB C 531 28.802 28.802 30.437 -1.635 19213 4928 1 6 . 1 1 531 531 LYS H H 531 8.120 8.120 7.511 0.609 19213 4929 1 6 . 1 1 532 532 VAL N N 532 115.759 115.759 119.018 -3.259 19213 4930 1 6 . 1 1 532 532 VAL HA H 532 3.000 3.000 3.777 -0.777 19213 4931 1 6 . 1 1 532 532 VAL C C 532 174.337 174.337 176.061 -1.724 19213 4932 1 6 . 1 1 532 532 VAL CA C 532 64.525 64.525 63.786 0.739 19213 4933 1 6 . 1 1 532 532 VAL CB C 532 32.785 32.785 30.886 1.899 19213 4934 1 6 . 1 1 532 532 VAL H H 532 6.477 6.477 7.323 -0.846 19213 4935 1 6 . 1 1 533 533 ARG N N 533 123.594 123.594 129.104 -5.510 19213 4936 1 6 . 1 1 533 533 ARG HA H 533 4.457 4.457 4.686 -0.229 19213 4937 1 6 . 1 1 533 533 ARG C C 533 173.662 173.662 174.230 -0.568 19213 4938 1 6 . 1 1 533 533 ARG CA C 533 53.844 53.844 55.017 -1.173 19213 4939 1 6 . 1 1 533 533 ARG CB C 533 31.242 31.242 30.610 0.632 19213 4940 1 6 . 1 1 533 533 ARG H H 533 8.917 8.917 8.256 0.661 19213 4941 1 6 . 1 1 534 534 ALA N N 534 123.107 123.107 122.885 0.222 19213 4942 1 6 . 1 1 534 534 ALA HA H 534 4.663 4.663 5.150 -0.487 19213 4943 1 6 . 1 1 534 534 ALA C C 534 176.608 176.608 174.984 1.624 19213 4944 1 6 . 1 1 534 534 ALA CA C 534 51.456 51.456 51.979 -0.523 19213 4945 1 6 . 1 1 534 534 ALA CB C 534 25.134 25.134 20.781 4.353 19213 4946 1 6 . 1 1 534 534 ALA H H 534 8.338 8.338 7.716 0.622 19213 4947 1 6 . 1 1 535 535 ASN N N 535 117.841 117.841 117.024 0.817 19213 4948 1 6 . 1 1 535 535 ASN HA H 535 6.000 6.000 4.933 1.067 19213 4949 1 6 . 1 1 535 535 ASN C C 535 170.841 170.841 173.156 -2.315 19213 4950 1 6 . 1 1 535 535 ASN CA C 535 52.258 52.258 53.964 -1.706 19213 4951 1 6 . 1 1 535 535 ASN CB C 535 42.060 42.060 40.642 1.418 19213 4952 1 6 . 1 1 535 535 ASN H H 535 9.052 9.052 8.695 0.357 19213 4953 1 6 . 1 1 536 536 LEU N N 536 123.199 123.199 127.522 -4.323 19213 4954 1 6 . 1 1 536 536 LEU HA H 536 4.667 4.667 4.733 -0.066 19213 4955 1 6 . 1 1 536 536 LEU C C 536 173.345 173.345 173.525 -0.180 19213 4956 1 6 . 1 1 536 536 LEU CA C 536 54.258 54.258 53.234 1.024 19213 4957 1 6 . 1 1 536 536 LEU CB C 536 43.282 43.282 45.125 -1.843 19213 4958 1 6 . 1 1 536 536 LEU H H 536 8.163 8.163 7.543 0.620 19213 4959 1 6 . 1 1 537 537 VAL N N 537 128.390 128.390 123.897 4.493 19213 4960 1 6 . 1 1 537 537 VAL HA H 537 4.428 4.428 4.492 -0.064 19213 4961 1 6 . 1 1 537 537 VAL C C 537 174.411 174.411 173.769 0.642 19213 4962 1 6 . 1 1 537 537 VAL CA C 537 62.112 62.112 59.828 2.284 19213 4963 1 6 . 1 1 537 537 VAL CB C 537 34.747 34.747 33.277 1.470 19213 4964 1 6 . 1 1 537 537 VAL H H 537 8.881 8.881 7.857 1.024 19213 4965 1 6 . 1 1 538 538 VAL N N 538 118.758 118.758 125.664 -6.906 19213 4966 1 6 . 1 1 538 538 VAL HA H 538 5.360 5.360 4.464 0.896 19213 4967 1 6 . 1 1 538 538 VAL CA C 538 56.783 56.783 58.376 -1.593 19213 4968 1 6 . 1 1 538 538 VAL CB C 538 33.069 33.069 34.589 -1.520 19213 4969 1 6 . 1 1 538 538 VAL H H 538 8.456 8.456 8.598 -0.142 19213 4970 1 6 . 1 1 539 539 PRO HA H 539 4.832 4.832 4.675 0.157 19213 4971 1 6 . 1 1 539 539 PRO C C 539 175.835 175.835 175.777 0.058 19213 4972 1 6 . 1 1 539 539 PRO CA C 539 62.909 62.909 62.912 -0.003 19213 4973 1 6 . 1 1 539 539 PRO CB C 539 34.483 34.483 32.139 2.344 19213 4974 1 6 . 1 1 540 540 MET N N 540 116.774 116.774 123.910 -7.136 19213 4975 1 6 . 1 1 540 540 MET HA H 540 4.372 4.372 4.878 -0.506 19213 4976 1 6 . 1 1 540 540 MET C C 540 173.982 173.982 174.800 -0.818 19213 4977 1 6 . 1 1 540 540 MET CA C 540 55.763 55.763 53.601 2.162 19213 4978 1 6 . 1 1 540 540 MET CB C 540 35.394 35.394 34.476 0.918 19213 4979 1 6 . 1 1 540 540 MET H H 540 8.212 8.212 8.232 -0.020 19213 4980 1 6 . 1 1 541 541 VAL N N 541 127.382 127.382 124.748 2.634 19213 4981 1 6 . 1 1 541 541 VAL HA H 541 4.851 4.851 4.701 0.150 19213 4982 1 6 . 1 1 541 541 VAL C C 541 174.789 174.789 175.173 -0.384 19213 4983 1 6 . 1 1 541 541 VAL CA C 541 61.847 61.847 60.641 1.206 19213 4984 1 6 . 1 1 541 541 VAL CB C 541 33.092 33.092 33.494 -0.402 19213 4985 1 6 . 1 1 541 541 VAL H H 541 8.342 8.342 8.719 -0.377 19213 4986 1 6 . 1 1 542 542 ILE N N 542 126.100 126.100 125.216 0.884 19213 4987 1 6 . 1 1 542 542 ILE HA H 542 4.225 4.225 4.348 -0.123 19213 4988 1 6 . 1 1 542 542 ILE C C 542 176.127 176.127 176.008 0.119 19213 4989 1 6 . 1 1 542 542 ILE CA C 542 60.535 60.535 57.821 2.714 19213 4990 1 6 . 1 1 542 542 ILE CB C 542 41.569 41.569 39.226 2.343 19213 4991 1 6 . 1 1 542 542 ILE H H 542 8.687 8.687 9.158 -0.471 19213 4992 1 6 . 1 1 543 543 ASP N N 543 132.060 132.060 127.789 4.271 19213 4993 1 6 . 1 1 543 543 ASP HA H 543 4.203 4.203 4.292 -0.089 19213 4994 1 6 . 1 1 543 543 ASP C C 543 175.231 175.231 175.513 -0.282 19213 4995 1 6 . 1 1 543 543 ASP CA C 543 55.725 55.725 55.823 -0.098 19213 4996 1 6 . 1 1 543 543 ASP CB C 543 39.705 39.705 40.517 -0.812 19213 4997 1 6 . 1 1 543 543 ASP H H 543 10.386 10.386 9.586 0.800 19213 4998 1 6 . 1 1 544 544 ASP N N 544 111.355 111.355 113.565 -2.210 19213 4999 1 6 . 1 1 544 544 ASP HA H 544 4.109 4.109 4.379 -0.270 19213 5000 1 6 . 1 1 544 544 ASP C C 544 174.479 174.479 174.032 0.447 19213 5001 1 6 . 1 1 544 544 ASP CA C 544 55.744 55.744 55.735 0.009 19213 5002 1 6 . 1 1 544 544 ASP CB C 544 41.048 41.048 40.157 0.891 19213 5003 1 6 . 1 1 544 544 ASP H H 544 8.812 8.812 8.718 0.094 19213 5004 1 6 . 1 1 545 545 GLN N N 545 117.226 117.226 116.522 0.704 19213 5005 1 6 . 1 1 545 545 GLN HA H 545 4.582 4.582 4.676 -0.094 19213 5006 1 6 . 1 1 545 545 GLN C C 545 174.762 174.762 174.557 0.205 19213 5007 1 6 . 1 1 545 545 GLN CA C 545 53.703 53.703 53.841 -0.138 19213 5008 1 6 . 1 1 545 545 GLN CB C 545 31.687 31.687 32.288 -0.601 19213 5009 1 6 . 1 1 545 545 GLN H H 545 7.884 7.884 8.487 -0.603 19213 5010 1 6 . 1 1 546 546 LEU N N 546 123.783 123.783 128.396 -4.613 19213 5011 1 6 . 1 1 546 546 LEU HA H 546 4.590 4.590 4.490 0.100 19213 5012 1 6 . 1 1 546 546 LEU C C 546 174.041 174.041 176.318 -2.277 19213 5013 1 6 . 1 1 546 546 LEU CA C 546 55.029 55.029 55.634 -0.605 19213 5014 1 6 . 1 1 546 546 LEU CB C 546 42.361 42.361 41.533 0.828 19213 5015 1 6 . 1 1 546 546 LEU H H 546 9.175 9.175 8.951 0.224 19213 5016 1 6 . 1 1 547 547 PHE N N 547 132.161 132.161 125.193 6.968 19213 5017 1 6 . 1 1 547 547 PHE HA H 547 4.564 4.564 4.795 -0.231 19213 5018 1 6 . 1 1 547 547 PHE C C 547 176.063 176.063 174.296 1.767 19213 5019 1 6 . 1 1 547 547 PHE CA C 547 59.445 59.445 57.816 1.629 19213 5020 1 6 . 1 1 547 547 PHE CB C 547 41.069 41.069 41.051 0.018 19213 5021 1 6 . 1 1 547 547 PHE H H 547 8.925 8.925 8.056 0.869 19213 5022 1 6 . 1 1 548 548 GLY N N 548 103.713 103.713 105.228 -1.515 19213 5023 1 6 . 1 1 548 548 GLY C C 548 169.176 169.176 171.213 -2.037 19213 5024 1 6 . 1 1 548 548 GLY CA C 548 45.906 45.906 44.587 1.319 19213 5025 1 6 . 1 1 548 548 GLY H H 548 8.025 8.025 7.582 0.443 19213 5026 1 6 . 1 1 549 549 LEU N N 549 117.457 117.457 119.072 -1.615 19213 5027 1 6 . 1 1 549 549 LEU HA H 549 4.872 4.872 4.886 -0.014 19213 5028 1 6 . 1 1 549 549 LEU C C 549 174.008 174.008 173.513 0.495 19213 5029 1 6 . 1 1 549 549 LEU CA C 549 52.697 52.697 54.860 -2.163 19213 5030 1 6 . 1 1 549 549 LEU CB C 549 44.641 44.641 46.679 -2.038 19213 5031 1 6 . 1 1 549 549 LEU H H 549 8.738 8.738 7.503 1.235 19213 5032 1 6 . 1 1 550 550 LEU N N 550 127.533 127.533 126.402 1.131 19213 5033 1 6 . 1 1 550 550 LEU HA H 550 4.920 4.920 4.624 0.296 19213 5034 1 6 . 1 1 550 550 LEU C C 550 175.162 175.162 174.421 0.741 19213 5035 1 6 . 1 1 550 550 LEU CA C 550 53.922 53.922 53.526 0.396 19213 5036 1 6 . 1 1 550 550 LEU CB C 550 42.857 42.857 44.261 -1.405 19213 5037 1 6 . 1 1 550 550 LEU H H 550 9.078 9.078 8.036 1.042 19213 5038 1 6 . 1 1 551 551 ILE N N 551 123.427 123.427 126.240 -2.813 19213 5039 1 6 . 1 1 551 551 ILE HA H 551 5.332 5.332 5.021 0.311 19213 5040 1 6 . 1 1 551 551 ILE C C 551 174.056 174.056 173.795 0.261 19213 5041 1 6 . 1 1 551 551 ILE CA C 551 59.702 59.702 59.035 0.667 19213 5042 1 6 . 1 1 551 551 ILE CB C 551 41.568 41.568 41.004 0.564 19213 5043 1 6 . 1 1 551 551 ILE H H 551 8.382 8.382 7.852 0.530 19213 5044 1 6 . 1 1 552 552 ALA N N 552 129.153 129.153 127.760 1.393 19213 5045 1 6 . 1 1 552 552 ALA HA H 552 5.130 5.130 4.284 0.846 19213 5046 1 6 . 1 1 552 552 ALA C C 552 176.892 176.892 174.416 2.476 19213 5047 1 6 . 1 1 552 552 ALA CA C 552 49.481 49.481 49.968 -0.487 19213 5048 1 6 . 1 1 552 552 ALA CB C 552 22.936 22.936 21.502 1.434 19213 5049 1 6 . 1 1 552 552 ALA H H 552 9.245 9.245 7.592 1.653 19213 5050 1 6 . 1 1 553 553 HIS N N 553 117.481 117.481 118.446 -0.965 19213 5051 1 6 . 1 1 553 553 HIS HA H 553 5.879 5.879 4.696 1.183 19213 5052 1 6 . 1 1 553 553 HIS C C 553 175.709 175.709 173.980 1.729 19213 5053 1 6 . 1 1 553 553 HIS CA C 553 52.575 52.575 55.074 -2.499 19213 5054 1 6 . 1 1 553 553 HIS CB C 553 36.391 36.391 33.128 3.263 19213 5055 1 6 . 1 1 553 553 HIS H H 553 9.584 9.584 8.336 1.248 19213 5056 1 6 . 1 1 554 554 GLN N N 554 125.534 125.534 121.258 4.276 19213 5057 1 6 . 1 1 554 554 GLN HA H 554 4.604 4.604 4.506 0.098 19213 5058 1 6 . 1 1 554 554 GLN C C 554 174.647 174.647 175.785 -1.138 19213 5059 1 6 . 1 1 554 554 GLN CA C 554 55.753 55.753 55.054 0.699 19213 5060 1 6 . 1 1 554 554 GLN CB C 554 30.350 30.350 29.365 0.985 19213 5061 1 6 . 1 1 554 554 GLN H H 554 9.240 9.240 8.868 0.372 19213 5062 1 6 . 1 1 555 555 ALA N N 555 135.281 135.281 128.032 7.249 19213 5063 1 6 . 1 1 555 555 ALA HA H 555 4.543 4.543 4.190 0.353 19213 5064 1 6 . 1 1 555 555 ALA C C 555 177.707 177.707 176.667 1.040 19213 5065 1 6 . 1 1 555 555 ALA CA C 555 53.062 53.062 52.807 0.255 19213 5066 1 6 . 1 1 555 555 ALA CB C 555 19.238 19.238 17.921 1.317 19213 5067 1 6 . 1 1 555 555 ALA H H 555 11.446 11.446 8.557 2.889 19213 5068 1 6 . 1 1 556 556 SER N N 556 110.784 110.784 112.762 -1.978 19213 5069 1 6 . 1 1 556 556 SER HA H 556 4.190 4.190 4.499 -0.309 19213 5070 1 6 . 1 1 556 556 SER C C 556 174.538 174.538 174.656 -0.118 19213 5071 1 6 . 1 1 556 556 SER CA C 556 60.691 60.691 58.838 1.853 19213 5072 1 6 . 1 1 556 556 SER CB C 556 63.729 63.729 64.970 -1.241 19213 5073 1 6 . 1 1 556 556 SER H H 556 8.106 8.106 7.572 0.534 19213 5074 1 6 . 1 1 557 557 GLU N N 557 118.812 118.812 119.902 -1.090 19213 5075 1 6 . 1 1 557 557 GLU CA C 557 53.779 53.779 53.638 0.141 19213 5076 1 6 . 1 1 557 557 GLU CB C 557 30.585 30.585 32.422 -1.837 19213 5077 1 6 . 1 1 557 557 GLU H H 557 7.380 7.380 8.184 -0.804 19213 5078 1 6 . 1 1 558 558 PRO HA H 558 4.290 4.290 4.690 -0.400 19213 5079 1 6 . 1 1 558 558 PRO C C 558 175.238 175.238 175.980 -0.742 19213 5080 1 6 . 1 1 558 558 PRO CA C 558 62.733 62.733 63.201 -0.468 19213 5081 1 6 . 1 1 558 558 PRO CB C 558 32.892 32.892 32.650 0.242 19213 5082 1 6 . 1 1 559 559 ARG N N 559 121.705 121.705 118.813 2.892 19213 5083 1 6 . 1 1 559 559 ARG HA H 559 3.949 3.949 4.453 -0.504 19213 5084 1 6 . 1 1 559 559 ARG C C 559 171.339 171.339 173.817 -2.478 19213 5085 1 6 . 1 1 559 559 ARG CA C 559 55.522 55.522 55.600 -0.078 19213 5086 1 6 . 1 1 559 559 ARG CB C 559 33.266 33.266 33.606 -0.340 19213 5087 1 6 . 1 1 559 559 ARG H H 559 8.106 8.106 8.291 -0.185 19213 5088 1 6 . 1 1 560 560 GLN N N 560 125.611 125.611 123.729 1.882 19213 5089 1 6 . 1 1 560 560 GLN HA H 560 4.386 4.386 3.848 0.538 19213 5090 1 6 . 1 1 560 560 GLN C C 560 175.691 175.691 174.884 0.807 19213 5091 1 6 . 1 1 560 560 GLN CA C 560 53.655 53.655 54.402 -0.747 19213 5092 1 6 . 1 1 560 560 GLN CB C 560 27.650 27.650 29.094 -1.444 19213 5093 1 6 . 1 1 560 560 GLN H H 560 8.295 8.295 8.426 -0.131 19213 5094 1 6 . 1 1 561 561 TRP N N 561 132.619 132.619 125.842 6.777 19213 5095 1 6 . 1 1 561 561 TRP HA H 561 4.449 4.449 4.825 -0.376 19213 5096 1 6 . 1 1 561 561 TRP C C 561 176.089 176.089 176.182 -0.093 19213 5097 1 6 . 1 1 561 561 TRP CA C 561 56.370 56.370 55.755 0.615 19213 5098 1 6 . 1 1 561 561 TRP CB C 561 28.641 28.641 29.534 -0.893 19213 5099 1 6 . 1 1 561 561 TRP H H 561 7.899 7.899 6.968 0.931 19213 5100 1 6 . 1 1 562 562 GLN N N 562 124.398 124.398 123.745 0.653 19213 5101 1 6 . 1 1 562 562 GLN HA H 562 4.465 4.465 4.222 0.243 19213 5102 1 6 . 1 1 562 562 GLN C C 562 177.060 177.060 177.221 -0.161 19213 5103 1 6 . 1 1 562 562 GLN CA C 562 54.712 54.712 55.569 -0.857 19213 5104 1 6 . 1 1 562 562 GLN CB C 562 30.536 30.536 29.704 0.832 19213 5105 1 6 . 1 1 562 562 GLN H H 562 9.714 9.714 8.598 1.116 19213 5106 1 6 . 1 1 563 563 GLU N N 563 124.299 124.299 121.317 2.982 19213 5107 1 6 . 1 1 563 563 GLU HA H 563 3.913 3.913 4.126 -0.213 19213 5108 1 6 . 1 1 563 563 GLU C C 563 178.669 178.669 178.907 -0.238 19213 5109 1 6 . 1 1 563 563 GLU CA C 563 61.261 61.261 59.687 1.574 19213 5110 1 6 . 1 1 563 563 GLU CB C 563 29.246 29.246 29.315 -0.069 19213 5111 1 6 . 1 1 563 563 GLU H H 563 9.197 9.197 9.059 0.138 19213 5112 1 6 . 1 1 564 564 ILE N N 564 115.325 115.325 118.513 -3.188 19213 5113 1 6 . 1 1 564 564 ILE HA H 564 4.217 4.217 3.816 0.401 19213 5114 1 6 . 1 1 564 564 ILE C C 564 177.495 177.495 177.659 -0.164 19213 5115 1 6 . 1 1 564 564 ILE CA C 564 63.396 63.396 64.969 -1.573 19213 5116 1 6 . 1 1 564 564 ILE CB C 564 37.815 37.815 37.421 0.394 19213 5117 1 6 . 1 1 564 564 ILE H H 564 8.482 8.482 8.237 0.245 19213 5118 1 6 . 1 1 565 565 GLU N N 565 121.151 121.151 119.620 1.531 19213 5119 1 6 . 1 1 565 565 GLU HA H 565 4.014 4.014 4.065 -0.051 19213 5120 1 6 . 1 1 565 565 GLU C C 565 178.136 178.136 179.396 -1.260 19213 5121 1 6 . 1 1 565 565 GLU CA C 565 58.734 58.734 59.407 -0.673 19213 5122 1 6 . 1 1 565 565 GLU CB C 565 29.617 29.617 29.131 0.485 19213 5123 1 6 . 1 1 565 565 GLU H H 565 6.700 6.700 7.657 -0.957 19213 5124 1 6 . 1 1 566 566 ILE N N 566 119.835 119.835 120.464 -0.629 19213 5125 1 6 . 1 1 566 566 ILE HA H 566 3.450 3.450 3.995 -0.545 19213 5126 1 6 . 1 1 566 566 ILE C C 566 178.664 178.664 177.847 0.817 19213 5127 1 6 . 1 1 566 566 ILE CA C 566 66.463 66.463 65.302 1.161 19213 5128 1 6 . 1 1 566 566 ILE CB C 566 38.360 38.360 37.767 0.593 19213 5129 1 6 . 1 1 566 566 ILE H H 566 8.122 8.122 7.677 0.445 19213 5130 1 6 . 1 1 567 567 ASP N N 567 120.402 120.402 120.767 -0.365 19213 5131 1 6 . 1 1 567 567 ASP HA H 567 4.372 4.372 4.303 0.069 19213 5132 1 6 . 1 1 567 567 ASP C C 567 179.395 179.395 178.677 0.718 19213 5133 1 6 . 1 1 567 567 ASP CA C 567 57.846 57.846 57.489 0.357 19213 5134 1 6 . 1 1 567 567 ASP CB C 567 40.610 40.610 40.535 0.075 19213 5135 1 6 . 1 1 567 567 ASP H H 567 8.503 8.503 8.067 0.436 19213 5136 1 6 . 1 1 568 568 GLN N N 568 118.044 118.044 118.329 -0.285 19213 5137 1 6 . 1 1 568 568 GLN HA H 568 4.147 4.147 4.028 0.119 19213 5138 1 6 . 1 1 568 568 GLN C C 568 179.163 179.163 178.519 0.644 19213 5139 1 6 . 1 1 568 568 GLN CA C 568 59.243 59.243 58.684 0.559 19213 5140 1 6 . 1 1 568 568 GLN CB C 568 29.668 29.668 28.157 1.511 19213 5141 1 6 . 1 1 568 568 GLN H H 568 8.273 8.273 7.813 0.460 19213 5142 1 6 . 1 1 569 569 PHE N N 569 124.363 124.363 120.339 4.024 19213 5143 1 6 . 1 1 569 569 PHE HA H 569 4.303 4.303 4.072 0.231 19213 5144 1 6 . 1 1 569 569 PHE C C 569 177.052 177.052 177.912 -0.860 19213 5145 1 6 . 1 1 569 569 PHE CA C 569 61.230 61.230 61.886 -0.656 19213 5146 1 6 . 1 1 569 569 PHE CB C 569 40.614 40.614 38.464 2.150 19213 5147 1 6 . 1 1 569 569 PHE H H 569 8.962 8.962 7.785 1.177 19213 5148 1 6 . 1 1 570 570 SER N N 570 113.474 113.474 115.927 -2.453 19213 5149 1 6 . 1 1 570 570 SER HA H 570 4.353 4.353 4.166 0.187 19213 5150 1 6 . 1 1 570 570 SER C C 570 177.332 177.332 177.093 0.239 19213 5151 1 6 . 1 1 570 570 SER CA C 570 61.727 61.727 62.386 -0.659 19213 5152 1 6 . 1 1 570 570 SER CB C 570 62.752 62.752 62.529 0.223 19213 5153 1 6 . 1 1 570 570 SER H H 570 8.880 8.880 8.399 0.481 19213 5154 1 6 . 1 1 571 571 GLU N N 571 122.935 122.935 122.646 0.289 19213 5155 1 6 . 1 1 571 571 GLU HA H 571 4.151 4.151 4.108 0.043 19213 5156 1 6 . 1 1 571 571 GLU C C 571 178.900 178.900 179.522 -0.622 19213 5157 1 6 . 1 1 571 571 GLU CA C 571 59.404 59.404 59.063 0.341 19213 5158 1 6 . 1 1 571 571 GLU CB C 571 29.340 29.340 29.716 -0.376 19213 5159 1 6 . 1 1 571 571 GLU H H 571 8.251 8.251 7.719 0.532 19213 5160 1 6 . 1 1 572 572 LEU N N 572 123.239 123.239 121.328 1.911 19213 5161 1 6 . 1 1 572 572 LEU HA H 572 4.040 4.040 4.067 -0.027 19213 5162 1 6 . 1 1 572 572 LEU C C 572 178.222 178.222 178.515 -0.293 19213 5163 1 6 . 1 1 572 572 LEU CA C 572 58.316 58.316 57.932 0.384 19213 5164 1 6 . 1 1 572 572 LEU CB C 572 41.446 41.446 41.712 -0.267 19213 5165 1 6 . 1 1 572 572 LEU H H 572 7.811 7.811 8.445 -0.634 19213 5166 1 6 . 1 1 573 573 ALA N N 573 120.107 120.107 119.885 0.222 19213 5167 1 6 . 1 1 573 573 ALA HA H 573 3.704 3.704 4.089 -0.385 19213 5168 1 6 . 1 1 573 573 ALA C C 573 180.552 180.552 179.898 0.654 19213 5169 1 6 . 1 1 573 573 ALA CA C 573 55.596 55.596 55.450 0.146 19213 5170 1 6 . 1 1 573 573 ALA CB C 573 19.404 19.404 18.394 1.010 19213 5171 1 6 . 1 1 573 573 ALA H H 573 7.636 7.636 8.792 -1.156 19213 5172 1 6 . 1 1 574 574 SER N N 574 116.333 116.333 114.156 2.177 19213 5173 1 6 . 1 1 574 574 SER HA H 574 4.415 4.415 4.218 0.197 19213 5174 1 6 . 1 1 574 574 SER C C 574 177.418 177.418 176.551 0.867 19213 5175 1 6 . 1 1 574 574 SER CA C 574 61.750 61.750 61.758 -0.007 19213 5176 1 6 . 1 1 574 574 SER CB C 574 62.688 62.688 62.340 0.348 19213 5177 1 6 . 1 1 574 574 SER H H 574 8.675 8.675 8.603 0.072 19213 5178 1 6 . 1 1 575 575 THR N N 575 120.659 120.659 119.022 1.637 19213 5179 1 6 . 1 1 575 575 THR HA H 575 4.001 4.001 3.925 0.076 19213 5180 1 6 . 1 1 575 575 THR C C 575 177.033 177.033 176.740 0.293 19213 5181 1 6 . 1 1 575 575 THR CA C 575 66.835 66.835 66.710 0.125 19213 5182 1 6 . 1 1 575 575 THR CB C 575 68.384 68.384 68.428 -0.044 19213 5183 1 6 . 1 1 575 575 THR H H 575 8.870 8.870 8.036 0.834 19213 5184 1 6 . 1 1 576 576 GLY N N 576 108.168 108.168 108.620 -0.452 19213 5185 1 6 . 1 1 576 576 GLY C C 576 174.221 174.221 175.672 -1.451 19213 5186 1 6 . 1 1 576 576 GLY CA C 576 47.808 47.808 46.879 0.929 19213 5187 1 6 . 1 1 576 576 GLY H H 576 8.687 8.687 7.834 0.853 19213 5188 1 6 . 1 1 577 577 SER N N 577 118.111 118.111 117.785 0.326 19213 5189 1 6 . 1 1 577 577 SER HA H 577 3.889 3.889 3.842 0.047 19213 5190 1 6 . 1 1 577 577 SER C C 577 174.830 174.830 176.465 -1.635 19213 5191 1 6 . 1 1 577 577 SER CA C 577 63.606 63.606 61.497 2.109 19213 5192 1 6 . 1 1 577 577 SER CB C 577 62.564 62.564 62.788 -0.223 19213 5193 1 6 . 1 1 577 577 SER H H 577 8.314 8.314 7.507 0.807 19213 5194 1 6 . 1 1 578 578 LEU N N 578 122.532 122.532 122.078 0.454 19213 5195 1 6 . 1 1 578 578 LEU HA H 578 3.785 3.785 4.217 -0.432 19213 5196 1 6 . 1 1 578 578 LEU C C 578 179.351 179.351 179.279 0.072 19213 5197 1 6 . 1 1 578 578 LEU CA C 578 58.109 58.109 57.221 0.888 19213 5198 1 6 . 1 1 578 578 LEU CB C 578 41.837 41.837 41.229 0.608 19213 5199 1 6 . 1 1 578 578 LEU H H 578 7.841 7.841 7.657 0.184 19213 5200 1 6 . 1 1 579 579 VAL N N 579 122.455 122.455 118.424 4.031 19213 5201 1 6 . 1 1 579 579 VAL CA C 579 59.949 59.949 65.863 -5.914 19213 5202 1 6 . 1 1 579 579 VAL CB C 579 31.167 31.167 31.123 0.044 19213 5203 1 6 . 1 1 579 579 VAL H H 579 8.789 8.789 7.424 1.365 19213 5204 1 6 . 1 1 582 582 ARG HA H 582 3.694 3.694 4.175 -0.481 19213 5205 1 6 . 1 1 582 582 ARG C C 582 170.822 170.822 179.083 -8.261 19213 5206 1 6 . 1 1 582 582 ARG CA C 582 58.211 58.211 58.797 -0.586 19213 5207 1 6 . 1 1 582 582 ARG CB C 582 30.031 30.031 30.158 -0.127 19213 5208 1 6 . 1 1 583 583 LEU N N 583 118.579 118.579 120.767 -2.188 19213 5209 1 6 . 1 1 583 583 LEU CA C 583 58.995 58.995 57.137 1.858 19213 5210 1 6 . 1 1 583 583 LEU CB C 583 42.668 42.668 41.538 1.130 19213 5211 1 6 . 1 1 583 583 LEU H H 583 7.100 7.100 7.283 -0.183 19213 5212 1 6 . 1 1 585 585 PHE C C 585 176.850 176.850 175.690 1.160 19213 5213 1 6 . 1 1 585 585 PHE CA C 585 54.882 54.882 56.719 -1.837 19213 5214 1 6 . 1 1 585 585 PHE CB C 585 41.019 41.019 40.472 0.547 19213 5215 1 6 . 1 1 586 586 LEU N N 586 122.944 122.944 125.954 -3.010 19213 5216 1 6 . 1 1 586 586 LEU CA C 586 55.891 55.891 54.978 0.913 19213 5217 1 6 . 1 1 586 586 LEU CB C 586 42.021 42.021 39.628 2.393 19213 5218 1 6 . 1 1 586 586 LEU H H 586 8.147 8.147 8.904 -0.757 19213 5219 1 6 . 1 1 587 587 GLU HA H 587 4.213 4.213 4.124 0.089 19213 5220 1 6 . 1 1 587 587 GLU C C 587 176.917 176.917 177.813 -0.896 19213 5221 1 6 . 1 1 587 587 GLU CA C 587 57.437 57.437 57.785 -0.347 19213 5222 1 6 . 1 1 587 587 GLU CB C 587 30.047 30.047 29.648 0.399 19213 5223 1 6 . 1 1 588 588 GLN N N 588 120.604 120.604 120.132 0.472 19213 5224 1 6 . 1 1 588 588 GLN CA C 588 57.300 57.300 55.843 1.457 19213 5225 1 6 . 1 1 588 588 GLN CB C 588 30.196 30.196 26.771 3.425 19213 5226 1 6 . 1 1 588 588 GLN H H 588 8.402 8.402 8.338 0.064 19213 5227 1 6 . 1 1 589 589 THR HA H 589 4.167 4.167 4.122 0.045 19213 5228 1 6 . 1 1 589 589 THR C C 589 174.851 174.851 175.023 -0.172 19213 5229 1 6 . 1 1 589 589 THR CA C 589 62.959 62.959 64.156 -1.197 19213 5230 1 6 . 1 1 589 589 THR CB C 589 69.693 69.693 69.134 0.559 19213 5231 1 6 . 1 1 590 590 ILE N N 590 123.158 123.158 123.226 -0.068 19213 5232 1 6 . 1 1 590 590 ILE CA C 590 61.524 61.524 60.281 1.243 19213 5233 1 6 . 1 1 590 590 ILE CB C 590 38.402 38.402 37.416 0.986 19213 5234 1 6 . 1 1 590 590 ILE H H 590 8.028 8.028 7.821 0.207 19213 5235 1 6 . 1 1 591 591 ALA HA H 591 4.180 4.180 4.199 -0.019 19213 5236 1 6 . 1 1 591 591 ALA C C 591 178.457 178.457 178.642 -0.185 19213 5237 1 6 . 1 1 591 591 ALA CA C 591 53.569 53.569 54.038 -0.469 19213 5238 1 6 . 1 1 591 591 ALA CB C 591 18.733 18.733 18.738 -0.005 19213 5239 1 6 . 1 1 592 592 SER N N 592 113.507 113.507 113.530 -0.023 19213 5240 1 6 . 1 1 592 592 SER HA H 592 4.290 4.290 4.250 0.040 19213 5241 1 6 . 1 1 592 592 SER C C 592 174.913 174.913 175.006 -0.093 19213 5242 1 6 . 1 1 592 592 SER CA C 592 58.992 58.992 60.179 -1.188 19213 5243 1 6 . 1 1 592 592 SER CB C 592 63.550 63.550 63.543 0.007 19213 5244 1 6 . 1 1 592 592 SER H H 592 7.946 7.946 8.027 -0.081 19213 5245 1 7 . 1 1 430 430 ALA N N 430 132.375 132.375 122.833 9.542 19213 5246 1 7 . 1 1 430 430 ALA CA C 430 51.092 51.092 51.935 -0.843 19213 5247 1 7 . 1 1 430 430 ALA CB C 430 21.474 21.474 20.367 1.107 19213 5248 1 7 . 1 1 430 430 ALA H H 430 8.772 8.772 8.229 0.543 19213 5249 1 7 . 1 1 431 431 ALA N N 431 117.710 117.710 123.917 -6.207 19213 5250 1 7 . 1 1 431 431 ALA HA H 431 4.346 4.346 4.164 0.182 19213 5251 1 7 . 1 1 431 431 ALA C C 431 177.537 177.537 176.984 0.553 19213 5252 1 7 . 1 1 431 431 ALA CA C 431 52.341 52.341 52.244 0.097 19213 5253 1 7 . 1 1 431 431 ALA CB C 431 19.209 19.209 18.293 0.916 19213 5254 1 7 . 1 1 431 431 ALA H H 431 8.180 8.180 8.105 0.075 19213 5255 1 7 . 1 1 432 432 VAL N N 432 120.378 120.378 117.074 3.304 19213 5256 1 7 . 1 1 432 432 VAL HA H 432 4.045 4.045 3.967 0.078 19213 5257 1 7 . 1 1 432 432 VAL C C 432 175.692 175.692 176.188 -0.496 19213 5258 1 7 . 1 1 432 432 VAL CA C 432 62.172 62.172 62.590 -0.418 19213 5259 1 7 . 1 1 432 432 VAL CB C 432 33.029 33.029 32.397 0.632 19213 5260 1 7 . 1 1 432 432 VAL H H 432 8.191 8.191 7.703 0.488 19213 5261 1 7 . 1 1 433 433 GLN N N 433 124.398 124.398 124.550 -0.152 19213 5262 1 7 . 1 1 433 433 GLN CA C 433 54.855 54.855 55.687 -0.832 19213 5263 1 7 . 1 1 433 433 GLN CB C 433 29.530 29.530 29.016 0.514 19213 5264 1 7 . 1 1 433 433 GLN H H 433 8.525 8.525 8.345 0.180 19213 5265 1 7 . 1 1 435 435 SER HA H 435 4.074 4.074 4.235 -0.161 19213 5266 1 7 . 1 1 435 435 SER C C 435 178.865 178.865 176.187 2.678 19213 5267 1 7 . 1 1 435 435 SER CA C 435 60.402 60.402 59.900 0.502 19213 5268 1 7 . 1 1 435 435 SER CB C 435 62.858 62.858 62.694 0.164 19213 5269 1 7 . 1 1 436 436 GLU N N 436 119.935 119.935 121.374 -1.439 19213 5270 1 7 . 1 1 436 436 GLU HA H 436 4.309 4.309 4.161 0.148 19213 5271 1 7 . 1 1 436 436 GLU C C 436 176.654 176.654 175.369 1.285 19213 5272 1 7 . 1 1 436 436 GLU CA C 436 56.095 56.095 55.726 0.369 19213 5273 1 7 . 1 1 436 436 GLU CB C 436 30.278 30.278 28.695 1.583 19213 5274 1 7 . 1 1 436 436 GLU H H 436 7.847 7.847 7.642 0.205 19213 5275 1 7 . 1 1 437 437 LEU N N 437 120.616 120.616 120.749 -0.133 19213 5276 1 7 . 1 1 437 437 LEU CA C 437 55.492 55.492 55.061 0.431 19213 5277 1 7 . 1 1 437 437 LEU CB C 437 43.512 43.512 42.435 1.077 19213 5278 1 7 . 1 1 437 437 LEU H H 437 7.349 7.349 7.594 -0.245 19213 5279 1 7 . 1 1 440 440 ARG HA H 440 3.274 3.274 3.850 -0.576 19213 5280 1 7 . 1 1 440 440 ARG C C 440 175.983 175.983 177.998 -2.015 19213 5281 1 7 . 1 1 440 440 ARG CA C 440 60.018 60.018 59.067 0.951 19213 5282 1 7 . 1 1 440 440 ARG CB C 440 30.268 30.268 30.162 0.106 19213 5283 1 7 . 1 1 441 441 GLN N N 441 117.801 117.801 118.746 -0.945 19213 5284 1 7 . 1 1 441 441 GLN HA H 441 3.804 3.804 4.461 -0.657 19213 5285 1 7 . 1 1 441 441 GLN C C 441 178.030 178.030 177.802 0.228 19213 5286 1 7 . 1 1 441 441 GLN CA C 441 58.764 58.764 58.983 -0.220 19213 5287 1 7 . 1 1 441 441 GLN CB C 441 27.434 27.434 28.489 -1.055 19213 5288 1 7 . 1 1 441 441 GLN H H 441 8.079 8.079 8.620 -0.541 19213 5289 1 7 . 1 1 442 442 ALA N N 442 120.194 120.194 122.374 -2.180 19213 5290 1 7 . 1 1 442 442 ALA HA H 442 4.123 4.123 4.120 0.003 19213 5291 1 7 . 1 1 442 442 ALA C C 442 181.577 181.577 179.576 2.001 19213 5292 1 7 . 1 1 442 442 ALA CA C 442 54.940 54.940 54.986 -0.046 19213 5293 1 7 . 1 1 442 442 ALA CB C 442 18.705 18.705 18.147 0.558 19213 5294 1 7 . 1 1 442 442 ALA H H 442 7.914 7.914 7.712 0.202 19213 5295 1 7 . 1 1 443 443 ILE N N 443 120.712 120.712 115.792 4.920 19213 5296 1 7 . 1 1 443 443 ILE HA H 443 3.445 3.445 3.580 -0.135 19213 5297 1 7 . 1 1 443 443 ILE C C 443 177.663 177.663 177.810 -0.147 19213 5298 1 7 . 1 1 443 443 ILE CA C 443 65.907 65.907 64.170 1.737 19213 5299 1 7 . 1 1 443 443 ILE CB C 443 37.169 37.169 36.885 0.284 19213 5300 1 7 . 1 1 443 443 ILE H H 443 7.663 7.663 7.295 0.368 19213 5301 1 7 . 1 1 444 444 PHE N N 444 119.033 119.033 119.169 -0.136 19213 5302 1 7 . 1 1 444 444 PHE HA H 444 4.311 4.311 4.159 0.152 19213 5303 1 7 . 1 1 444 444 PHE C C 444 178.273 178.273 177.952 0.321 19213 5304 1 7 . 1 1 444 444 PHE CA C 444 58.956 58.956 61.545 -2.589 19213 5305 1 7 . 1 1 444 444 PHE CB C 444 38.154 38.154 38.023 0.131 19213 5306 1 7 . 1 1 444 444 PHE H H 444 8.077 8.077 7.450 0.626 19213 5307 1 7 . 1 1 445 445 GLU N N 445 115.469 115.469 118.828 -3.359 19213 5308 1 7 . 1 1 445 445 GLU HA H 445 4.399 4.399 4.029 0.370 19213 5309 1 7 . 1 1 445 445 GLU C C 445 179.822 179.822 179.128 0.694 19213 5310 1 7 . 1 1 445 445 GLU CA C 445 58.472 58.472 59.815 -1.343 19213 5311 1 7 . 1 1 445 445 GLU CB C 445 28.797 28.797 29.162 -0.365 19213 5312 1 7 . 1 1 445 445 GLU H H 445 8.746 8.746 8.451 0.295 19213 5313 1 7 . 1 1 446 446 THR N N 446 117.987 117.987 116.468 1.519 19213 5314 1 7 . 1 1 446 446 THR HA H 446 4.067 4.067 4.065 0.002 19213 5315 1 7 . 1 1 446 446 THR C C 446 175.802 175.802 176.599 -0.797 19213 5316 1 7 . 1 1 446 446 THR CA C 446 66.959 66.959 66.134 0.825 19213 5317 1 7 . 1 1 446 446 THR CB C 446 68.289 68.289 68.439 -0.150 19213 5318 1 7 . 1 1 446 446 THR H H 446 8.139 8.139 7.528 0.611 19213 5319 1 7 . 1 1 447 447 LEU N N 447 122.061 122.061 121.247 0.814 19213 5320 1 7 . 1 1 447 447 LEU HA H 447 3.874 3.874 4.188 -0.314 19213 5321 1 7 . 1 1 447 447 LEU C C 447 179.377 179.377 178.583 0.794 19213 5322 1 7 . 1 1 447 447 LEU CA C 447 58.858 58.858 57.840 1.018 19213 5323 1 7 . 1 1 447 447 LEU CB C 447 42.709 42.709 41.440 1.269 19213 5324 1 7 . 1 1 447 447 LEU H H 447 8.608 8.608 7.753 0.855 19213 5325 1 7 . 1 1 448 448 VAL N N 448 108.293 108.293 118.822 -10.529 19213 5326 1 7 . 1 1 448 448 VAL HA H 448 3.973 3.973 3.778 0.195 19213 5327 1 7 . 1 1 448 448 VAL C C 448 177.414 177.414 178.247 -0.833 19213 5328 1 7 . 1 1 448 448 VAL CA C 448 64.624 64.624 64.905 -0.281 19213 5329 1 7 . 1 1 448 448 VAL CB C 448 29.895 29.895 30.081 -0.186 19213 5330 1 7 . 1 1 448 448 VAL H H 448 7.783 7.783 8.203 -0.420 19213 5331 1 7 . 1 1 449 449 ALA N N 449 124.901 124.901 122.582 2.319 19213 5332 1 7 . 1 1 449 449 ALA HA H 449 4.291 4.291 4.028 0.263 19213 5333 1 7 . 1 1 449 449 ALA C C 449 181.177 181.177 179.622 1.555 19213 5334 1 7 . 1 1 449 449 ALA CA C 449 55.144 55.144 55.559 -0.415 19213 5335 1 7 . 1 1 449 449 ALA CB C 449 18.558 18.558 18.354 0.204 19213 5336 1 7 . 1 1 449 449 ALA H H 449 7.477 7.477 8.875 -1.398 19213 5337 1 7 . 1 1 450 450 LYS N N 450 118.438 118.438 119.239 -0.801 19213 5338 1 7 . 1 1 450 450 LYS HA H 450 4.194 4.194 4.164 0.030 19213 5339 1 7 . 1 1 450 450 LYS C C 450 180.027 180.027 179.527 0.500 19213 5340 1 7 . 1 1 450 450 LYS CA C 450 58.274 58.274 59.251 -0.977 19213 5341 1 7 . 1 1 450 450 LYS CB C 450 31.673 31.673 32.253 -0.580 19213 5342 1 7 . 1 1 450 450 LYS H H 450 8.835 8.835 7.570 1.265 19213 5343 1 7 . 1 1 451 451 GLY N N 451 108.035 108.035 107.535 0.500 19213 5344 1 7 . 1 1 451 451 GLY C C 451 173.706 173.706 176.211 -2.505 19213 5345 1 7 . 1 1 451 451 GLY CA C 451 47.992 47.992 47.386 0.606 19213 5346 1 7 . 1 1 451 451 GLY H H 451 8.765 8.765 8.511 0.254 19213 5347 1 7 . 1 1 452 452 ARG N N 452 122.460 122.460 120.326 2.134 19213 5348 1 7 . 1 1 452 452 ARG HA H 452 4.080 4.080 4.186 -0.106 19213 5349 1 7 . 1 1 452 452 ARG C C 452 178.863 178.863 178.582 0.281 19213 5350 1 7 . 1 1 452 452 ARG CA C 452 60.572 60.572 58.944 1.628 19213 5351 1 7 . 1 1 452 452 ARG CB C 452 30.407 30.407 29.863 0.544 19213 5352 1 7 . 1 1 452 452 ARG H H 452 8.272 8.272 7.957 0.315 19213 5353 1 7 . 1 1 453 453 GLU N N 453 119.784 119.784 120.214 -0.430 19213 5354 1 7 . 1 1 453 453 GLU HA H 453 4.096 4.096 4.164 -0.068 19213 5355 1 7 . 1 1 453 453 GLU C C 453 178.778 178.778 178.301 0.477 19213 5356 1 7 . 1 1 453 453 GLU CA C 453 59.023 59.023 58.787 0.236 19213 5357 1 7 . 1 1 453 453 GLU CB C 453 30.241 30.241 29.887 0.354 19213 5358 1 7 . 1 1 453 453 GLU H H 453 7.894 7.894 7.725 0.169 19213 5359 1 7 . 1 1 454 454 LEU N N 454 119.313 119.313 118.427 0.886 19213 5360 1 7 . 1 1 454 454 LEU HA H 454 4.171 4.171 4.039 0.132 19213 5361 1 7 . 1 1 454 454 LEU C C 454 178.457 178.457 178.823 -0.366 19213 5362 1 7 . 1 1 454 454 LEU CA C 454 57.869 57.869 57.481 0.388 19213 5363 1 7 . 1 1 454 454 LEU CB C 454 42.922 42.922 42.184 0.738 19213 5364 1 7 . 1 1 454 454 LEU H H 454 8.328 8.328 8.475 -0.147 19213 5365 1 7 . 1 1 455 455 LEU N N 455 113.192 113.192 115.062 -1.870 19213 5366 1 7 . 1 1 455 455 LEU HA H 455 4.380 4.380 4.343 0.037 19213 5367 1 7 . 1 1 455 455 LEU C C 455 176.795 176.795 176.419 0.376 19213 5368 1 7 . 1 1 455 455 LEU CA C 455 54.643 54.643 54.309 0.334 19213 5369 1 7 . 1 1 455 455 LEU CB C 455 43.897 43.897 42.315 1.582 19213 5370 1 7 . 1 1 455 455 LEU H H 455 7.424 7.424 7.343 0.081 19213 5371 1 7 . 1 1 456 456 ALA N N 456 124.175 124.175 119.676 4.499 19213 5372 1 7 . 1 1 456 456 ALA HA H 456 4.244 4.244 4.097 0.147 19213 5373 1 7 . 1 1 456 456 ALA C C 456 177.051 177.051 176.602 0.449 19213 5374 1 7 . 1 1 456 456 ALA CA C 456 52.975 52.975 52.624 0.351 19213 5375 1 7 . 1 1 456 456 ALA CB C 456 16.514 16.514 16.321 0.193 19213 5376 1 7 . 1 1 456 456 ALA H H 456 8.573 8.573 7.769 0.804 19213 5377 1 7 . 1 1 457 457 CYS N N 457 111.282 111.282 118.687 -7.405 19213 5378 1 7 . 1 1 457 457 CYS HA H 457 5.592 5.592 4.534 1.058 19213 5379 1 7 . 1 1 457 457 CYS C C 457 172.935 172.935 175.187 -2.252 19213 5380 1 7 . 1 1 457 457 CYS CA C 457 54.876 54.876 59.102 -4.226 19213 5381 1 7 . 1 1 457 457 CYS CB C 457 29.887 29.887 30.489 -0.602 19213 5382 1 7 . 1 1 457 457 CYS H H 457 7.000 7.000 8.048 -1.048 19213 5383 1 7 . 1 1 458 458 ASP N N 458 117.373 117.373 122.962 -5.589 19213 5384 1 7 . 1 1 458 458 ASP HA H 458 4.834 4.834 4.614 0.220 19213 5385 1 7 . 1 1 458 458 ASP C C 458 175.463 175.463 175.753 -0.290 19213 5386 1 7 . 1 1 458 458 ASP CA C 458 57.972 57.972 56.615 1.357 19213 5387 1 7 . 1 1 458 458 ASP CB C 458 42.753 42.753 41.350 1.403 19213 5388 1 7 . 1 1 458 458 ASP H H 458 7.265 7.265 8.525 -1.260 19213 5389 1 7 . 1 1 459 459 ARG N N 459 117.328 117.328 117.967 -0.639 19213 5390 1 7 . 1 1 459 459 ARG HA H 459 5.511 5.511 4.964 0.547 19213 5391 1 7 . 1 1 459 459 ARG C C 459 174.652 174.652 173.713 0.939 19213 5392 1 7 . 1 1 459 459 ARG CA C 459 55.593 55.593 55.128 0.465 19213 5393 1 7 . 1 1 459 459 ARG CB C 459 35.294 35.294 33.706 1.588 19213 5394 1 7 . 1 1 459 459 ARG H H 459 8.099 8.099 7.451 0.648 19213 5395 1 7 . 1 1 460 460 VAL N N 460 127.029 127.029 119.162 7.867 19213 5396 1 7 . 1 1 460 460 VAL HA H 460 5.182 5.182 4.469 0.713 19213 5397 1 7 . 1 1 460 460 VAL C C 460 174.538 174.538 172.860 1.678 19213 5398 1 7 . 1 1 460 460 VAL CA C 460 61.684 61.684 60.856 0.828 19213 5399 1 7 . 1 1 460 460 VAL CB C 460 35.157 35.157 34.991 0.166 19213 5400 1 7 . 1 1 460 460 VAL H H 460 9.215 9.215 8.647 0.568 19213 5401 1 7 . 1 1 461 461 ILE N N 461 118.191 118.191 124.378 -6.187 19213 5402 1 7 . 1 1 461 461 ILE HA H 461 5.269 5.269 4.438 0.831 19213 5403 1 7 . 1 1 461 461 ILE C C 461 174.436 174.436 174.404 0.032 19213 5404 1 7 . 1 1 461 461 ILE CA C 461 58.897 58.897 60.223 -1.326 19213 5405 1 7 . 1 1 461 461 ILE CB C 461 41.973 41.973 40.989 0.984 19213 5406 1 7 . 1 1 461 461 ILE H H 461 9.051 9.051 8.405 0.646 19213 5407 1 7 . 1 1 462 462 VAL N N 462 119.036 119.036 123.186 -4.150 19213 5408 1 7 . 1 1 462 462 VAL HA H 462 4.218 4.218 4.461 -0.243 19213 5409 1 7 . 1 1 462 462 VAL C C 462 173.040 173.040 174.106 -1.066 19213 5410 1 7 . 1 1 462 462 VAL CA C 462 62.382 62.382 60.867 1.515 19213 5411 1 7 . 1 1 462 462 VAL CB C 462 33.016 33.016 34.182 -1.166 19213 5412 1 7 . 1 1 462 462 VAL H H 462 7.266 7.266 8.025 -0.759 19213 5413 1 7 . 1 1 463 463 TYR N N 463 131.813 131.813 123.088 8.725 19213 5414 1 7 . 1 1 463 463 TYR HA H 463 4.634 4.634 5.133 -0.499 19213 5415 1 7 . 1 1 463 463 TYR C C 463 172.062 172.062 172.671 -0.609 19213 5416 1 7 . 1 1 463 463 TYR CA C 463 54.971 54.971 54.963 0.008 19213 5417 1 7 . 1 1 463 463 TYR CB C 463 40.572 40.572 41.489 -0.917 19213 5418 1 7 . 1 1 463 463 TYR H H 463 8.796 8.796 7.505 1.290 19213 5419 1 7 . 1 1 464 464 ALA N N 464 127.309 127.309 121.262 6.047 19213 5420 1 7 . 1 1 464 464 ALA HA H 464 3.810 3.810 4.178 -0.368 19213 5421 1 7 . 1 1 464 464 ALA C C 464 176.605 176.605 175.703 0.902 19213 5422 1 7 . 1 1 464 464 ALA CA C 464 50.931 50.931 49.932 0.999 19213 5423 1 7 . 1 1 464 464 ALA CB C 464 21.945 21.945 20.534 1.411 19213 5424 1 7 . 1 1 464 464 ALA H H 464 8.423 8.423 8.256 0.167 19213 5425 1 7 . 1 1 465 465 PHE N N 465 119.567 119.567 121.218 -1.651 19213 5426 1 7 . 1 1 465 465 PHE HA H 465 4.635 4.635 4.574 0.061 19213 5427 1 7 . 1 1 465 465 PHE C C 465 176.576 176.576 175.432 1.144 19213 5428 1 7 . 1 1 465 465 PHE CA C 465 57.430 57.430 59.701 -2.271 19213 5429 1 7 . 1 1 465 465 PHE CB C 465 41.434 41.434 40.442 0.992 19213 5430 1 7 . 1 1 465 465 PHE H H 465 7.687 7.687 8.816 -1.129 19213 5431 1 7 . 1 1 466 466 ASP N N 466 120.914 120.914 122.523 -1.609 19213 5432 1 7 . 1 1 466 466 ASP HA H 466 4.699 4.699 4.852 -0.153 19213 5433 1 7 . 1 1 466 466 ASP C C 466 178.481 178.481 176.723 1.758 19213 5434 1 7 . 1 1 466 466 ASP CA C 466 51.837 51.837 53.192 -1.355 19213 5435 1 7 . 1 1 466 466 ASP CB C 466 40.950 40.950 42.663 -1.713 19213 5436 1 7 . 1 1 466 466 ASP H H 466 7.829 7.829 8.081 -0.252 19213 5437 1 7 . 1 1 467 467 ASP N N 467 115.889 115.889 117.147 -1.258 19213 5438 1 7 . 1 1 467 467 ASP HA H 467 4.018 4.018 4.376 -0.358 19213 5439 1 7 . 1 1 467 467 ASP C C 467 176.022 176.022 175.669 0.353 19213 5440 1 7 . 1 1 467 467 ASP CA C 467 56.052 56.052 55.127 0.925 19213 5441 1 7 . 1 1 467 467 ASP CB C 467 40.144 40.144 40.277 -0.133 19213 5442 1 7 . 1 1 467 467 ASP H H 467 8.138 8.138 8.645 -0.507 19213 5443 1 7 . 1 1 468 468 ASN N N 468 116.903 116.903 117.358 -0.455 19213 5444 1 7 . 1 1 468 468 ASN HA H 468 4.954 4.954 4.663 0.291 19213 5445 1 7 . 1 1 468 468 ASN C C 468 174.155 174.155 174.980 -0.825 19213 5446 1 7 . 1 1 468 468 ASN CA C 468 52.052 52.052 51.931 0.121 19213 5447 1 7 . 1 1 468 468 ASN CB C 468 39.733 39.733 37.965 1.768 19213 5448 1 7 . 1 1 468 468 ASN H H 468 8.076 8.076 8.235 -0.159 19213 5449 1 7 . 1 1 469 469 TYR N N 469 112.788 112.788 113.089 -0.301 19213 5450 1 7 . 1 1 469 469 TYR HA H 469 3.249 3.249 4.172 -0.923 19213 5451 1 7 . 1 1 469 469 TYR C C 469 175.377 175.377 174.599 0.778 19213 5452 1 7 . 1 1 469 469 TYR CA C 469 61.891 61.891 58.799 3.092 19213 5453 1 7 . 1 1 469 469 TYR CB C 469 34.352 34.352 35.899 -1.547 19213 5454 1 7 . 1 1 469 469 TYR H H 469 7.785 7.785 7.124 0.661 19213 5455 1 7 . 1 1 470 470 VAL N N 470 122.718 122.718 118.638 4.080 19213 5456 1 7 . 1 1 470 470 VAL HA H 470 4.010 4.010 4.234 -0.224 19213 5457 1 7 . 1 1 470 470 VAL CA C 470 63.699 63.699 62.123 1.577 19213 5458 1 7 . 1 1 470 470 VAL CB C 470 30.721 30.721 33.025 -2.304 19213 5459 1 7 . 1 1 470 470 VAL H H 470 8.666 8.666 7.333 1.333 19213 5460 1 7 . 1 1 471 471 GLY C C 471 170.959 170.959 172.874 -1.915 19213 5461 1 7 . 1 1 471 471 GLY CA C 471 43.674 43.674 43.889 -0.215 19213 5462 1 7 . 1 1 472 472 THR N N 472 118.003 118.003 115.336 2.667 19213 5463 1 7 . 1 1 472 472 THR HA H 472 4.931 4.931 4.547 0.384 19213 5464 1 7 . 1 1 472 472 THR C C 472 174.282 174.282 174.124 0.158 19213 5465 1 7 . 1 1 472 472 THR CA C 472 61.142 61.142 62.063 -0.921 19213 5466 1 7 . 1 1 472 472 THR CB C 472 70.941 70.941 71.180 -0.239 19213 5467 1 7 . 1 1 472 472 THR H H 472 8.150 8.150 8.081 0.069 19213 5468 1 7 . 1 1 473 473 VAL N N 473 126.802 126.802 130.287 -3.485 19213 5469 1 7 . 1 1 473 473 VAL HA H 473 4.552 4.552 4.214 0.338 19213 5470 1 7 . 1 1 473 473 VAL C C 473 175.472 175.472 176.301 -0.829 19213 5471 1 7 . 1 1 473 473 VAL CA C 473 62.066 62.066 62.706 -0.640 19213 5472 1 7 . 1 1 473 473 VAL CB C 473 29.572 29.572 29.582 -0.010 19213 5473 1 7 . 1 1 473 473 VAL H H 473 8.740 8.740 9.167 -0.427 19213 5474 1 7 . 1 1 474 474 VAL N N 474 122.729 122.729 122.950 -0.221 19213 5475 1 7 . 1 1 474 474 VAL HA H 474 4.394 4.394 4.115 0.279 19213 5476 1 7 . 1 1 474 474 VAL C C 474 175.653 175.653 174.927 0.726 19213 5477 1 7 . 1 1 474 474 VAL CA C 474 62.168 62.168 62.667 -0.499 19213 5478 1 7 . 1 1 474 474 VAL CB C 474 32.041 32.041 31.721 0.320 19213 5479 1 7 . 1 1 474 474 VAL H H 474 7.753 7.753 8.033 -0.280 19213 5480 1 7 . 1 1 475 475 ALA N N 475 117.768 117.768 119.196 -1.428 19213 5481 1 7 . 1 1 475 475 ALA HA H 475 4.493 4.493 4.598 -0.105 19213 5482 1 7 . 1 1 475 475 ALA C C 475 174.317 174.317 174.408 -0.091 19213 5483 1 7 . 1 1 475 475 ALA CA C 475 52.144 52.144 51.986 0.158 19213 5484 1 7 . 1 1 475 475 ALA CB C 475 23.434 23.434 21.414 2.020 19213 5485 1 7 . 1 1 475 475 ALA H H 475 7.366 7.366 7.094 0.272 19213 5486 1 7 . 1 1 476 476 GLU N N 476 122.294 122.294 122.427 -0.133 19213 5487 1 7 . 1 1 476 476 GLU HA H 476 5.143 5.143 4.654 0.489 19213 5488 1 7 . 1 1 476 476 GLU C C 476 173.452 173.452 174.581 -1.129 19213 5489 1 7 . 1 1 476 476 GLU CA C 476 55.216 55.216 55.434 -0.218 19213 5490 1 7 . 1 1 476 476 GLU CB C 476 36.288 36.288 33.534 2.754 19213 5491 1 7 . 1 1 476 476 GLU H H 476 8.455 8.455 8.500 -0.045 19213 5492 1 7 . 1 1 477 477 SER N N 477 121.014 121.014 120.486 0.528 19213 5493 1 7 . 1 1 477 477 SER HA H 477 4.910 4.910 4.971 -0.061 19213 5494 1 7 . 1 1 477 477 SER C C 477 173.417 173.417 172.593 0.824 19213 5495 1 7 . 1 1 477 477 SER CA C 477 56.576 56.576 57.455 -0.879 19213 5496 1 7 . 1 1 477 477 SER CB C 477 63.836 63.836 65.777 -1.941 19213 5497 1 7 . 1 1 477 477 SER H H 477 8.867 8.867 8.598 0.269 19213 5498 1 7 . 1 1 478 478 VAL N N 478 128.791 128.791 120.438 8.353 19213 5499 1 7 . 1 1 478 478 VAL HA H 478 5.361 5.361 4.697 0.664 19213 5500 1 7 . 1 1 478 478 VAL C C 478 172.729 172.729 175.074 -2.345 19213 5501 1 7 . 1 1 478 478 VAL CA C 478 58.657 58.657 59.602 -0.945 19213 5502 1 7 . 1 1 478 478 VAL CB C 478 35.971 35.971 35.436 0.535 19213 5503 1 7 . 1 1 478 478 VAL H H 478 9.143 9.143 8.426 0.717 19213 5504 1 7 . 1 1 479 479 ALA N N 479 129.671 129.671 129.659 0.012 19213 5505 1 7 . 1 1 479 479 ALA HA H 479 4.373 4.373 4.403 -0.030 19213 5506 1 7 . 1 1 479 479 ALA C C 479 176.732 176.732 177.374 -0.642 19213 5507 1 7 . 1 1 479 479 ALA CA C 479 52.231 52.231 52.503 -0.272 19213 5508 1 7 . 1 1 479 479 ALA CB C 479 20.053 20.053 19.768 0.285 19213 5509 1 7 . 1 1 479 479 ALA H H 479 8.632 8.632 8.478 0.154 19213 5510 1 7 . 1 1 480 480 GLU N N 480 120.434 120.434 120.529 -0.095 19213 5511 1 7 . 1 1 480 480 GLU HA H 480 4.028 4.028 4.051 -0.023 19213 5512 1 7 . 1 1 480 480 GLU C C 480 177.151 177.151 176.986 0.165 19213 5513 1 7 . 1 1 480 480 GLU CA C 480 58.179 58.179 57.766 0.414 19213 5514 1 7 . 1 1 480 480 GLU CB C 480 29.797 29.797 29.395 0.402 19213 5515 1 7 . 1 1 480 480 GLU H H 480 8.558 8.558 8.613 -0.055 19213 5516 1 7 . 1 1 481 481 GLY N N 481 110.914 110.914 110.939 -0.025 19213 5517 1 7 . 1 1 481 481 GLY C C 481 174.073 174.073 173.793 0.280 19213 5518 1 7 . 1 1 481 481 GLY CA C 481 44.681 44.681 44.163 0.517 19213 5519 1 7 . 1 1 481 481 GLY H H 481 8.539 8.539 8.484 0.055 19213 5520 1 7 . 1 1 482 482 TRP N N 482 119.508 119.508 122.178 -2.670 19213 5521 1 7 . 1 1 482 482 TRP HA H 482 5.290 5.290 5.051 0.239 19213 5522 1 7 . 1 1 482 482 TRP CA C 482 53.659 53.659 53.783 -0.124 19213 5523 1 7 . 1 1 482 482 TRP CB C 482 29.487 29.487 29.950 -0.463 19213 5524 1 7 . 1 1 482 482 TRP H H 482 7.009 7.009 7.168 -0.159 19213 5525 1 7 . 1 1 483 483 PRO HA H 483 4.426 4.426 4.418 0.008 19213 5526 1 7 . 1 1 483 483 PRO C C 483 175.722 175.722 175.731 -0.009 19213 5527 1 7 . 1 1 483 483 PRO CA C 483 63.259 63.259 63.085 0.174 19213 5528 1 7 . 1 1 483 483 PRO CB C 483 33.238 33.238 32.381 0.857 19213 5529 1 7 . 1 1 484 484 GLN N N 484 121.488 121.488 121.798 -0.310 19213 5530 1 7 . 1 1 484 484 GLN HA H 484 4.936 4.936 4.361 0.575 19213 5531 1 7 . 1 1 484 484 GLN C C 484 176.405 176.405 175.536 0.869 19213 5532 1 7 . 1 1 484 484 GLN CA C 484 55.688 55.688 55.636 0.052 19213 5533 1 7 . 1 1 484 484 GLN CB C 484 29.565 29.565 30.602 -1.037 19213 5534 1 7 . 1 1 484 484 GLN H H 484 8.646 8.646 8.445 0.201 19213 5535 1 7 . 1 1 485 485 ALA N N 485 133.617 133.617 126.053 7.564 19213 5536 1 7 . 1 1 485 485 ALA HA H 485 4.340 4.340 4.593 -0.253 19213 5537 1 7 . 1 1 485 485 ALA C C 485 176.317 176.317 176.551 -0.234 19213 5538 1 7 . 1 1 485 485 ALA CA C 485 51.289 51.289 52.061 -0.772 19213 5539 1 7 . 1 1 485 485 ALA CB C 485 20.581 20.581 19.896 0.685 19213 5540 1 7 . 1 1 485 485 ALA H H 485 11.964 11.964 8.469 3.495 19213 5541 1 7 . 1 1 486 486 ARG N N 486 119.720 119.720 119.514 0.206 19213 5542 1 7 . 1 1 486 486 ARG HA H 486 3.300 3.300 3.914 -0.614 19213 5543 1 7 . 1 1 486 486 ARG C C 486 175.502 175.502 175.562 -0.060 19213 5544 1 7 . 1 1 486 486 ARG CA C 486 59.200 59.200 56.432 2.768 19213 5545 1 7 . 1 1 486 486 ARG CB C 486 30.648 30.648 28.975 1.673 19213 5546 1 7 . 1 1 486 486 ARG H H 486 8.235 8.235 8.122 0.113 19213 5547 1 7 . 1 1 487 487 ASP N N 487 119.936 119.936 119.366 0.570 19213 5548 1 7 . 1 1 487 487 ASP HA H 487 4.141 4.141 4.178 -0.037 19213 5549 1 7 . 1 1 487 487 ASP C C 487 175.557 175.557 174.452 1.105 19213 5550 1 7 . 1 1 487 487 ASP CA C 487 57.148 57.148 55.930 1.218 19213 5551 1 7 . 1 1 487 487 ASP CB C 487 39.031 39.031 40.307 -1.276 19213 5552 1 7 . 1 1 487 487 ASP H H 487 9.023 9.023 8.915 0.108 19213 5553 1 7 . 1 1 488 488 GLN N N 488 119.954 119.954 117.093 2.861 19213 5554 1 7 . 1 1 488 488 GLN HA H 488 4.147 4.147 4.522 -0.375 19213 5555 1 7 . 1 1 488 488 GLN C C 488 174.993 174.993 174.701 0.292 19213 5556 1 7 . 1 1 488 488 GLN CA C 488 57.475 57.475 54.771 2.704 19213 5557 1 7 . 1 1 488 488 GLN CB C 488 28.866 28.866 31.494 -2.628 19213 5558 1 7 . 1 1 488 488 GLN H H 488 8.200 8.200 7.625 0.575 19213 5559 1 7 . 1 1 489 489 VAL N N 489 124.202 124.202 122.437 1.765 19213 5560 1 7 . 1 1 489 489 VAL HA H 489 4.593 4.593 4.285 0.308 19213 5561 1 7 . 1 1 489 489 VAL C C 489 177.060 177.060 175.403 1.657 19213 5562 1 7 . 1 1 489 489 VAL CA C 489 61.871 61.871 61.116 0.755 19213 5563 1 7 . 1 1 489 489 VAL CB C 489 32.575 32.575 32.512 0.063 19213 5564 1 7 . 1 1 489 489 VAL H H 489 8.379 8.379 8.468 -0.089 19213 5565 1 7 . 1 1 490 490 ILE N N 490 128.772 128.772 127.803 0.969 19213 5566 1 7 . 1 1 490 490 ILE HA H 490 4.433 4.433 4.160 0.273 19213 5567 1 7 . 1 1 490 490 ILE C C 490 174.634 174.634 174.510 0.124 19213 5568 1 7 . 1 1 490 490 ILE CA C 490 60.464 60.464 60.471 -0.007 19213 5569 1 7 . 1 1 490 490 ILE CB C 490 41.025 41.025 38.455 2.570 19213 5570 1 7 . 1 1 490 490 ILE H H 490 8.952 8.952 8.339 0.613 19213 5571 1 7 . 1 1 491 491 GLU N N 491 130.867 130.867 128.460 2.407 19213 5572 1 7 . 1 1 491 491 GLU HA H 491 4.598 4.598 4.481 0.117 19213 5573 1 7 . 1 1 491 491 GLU C C 491 174.015 174.015 174.515 -0.500 19213 5574 1 7 . 1 1 491 491 GLU CA C 491 55.930 55.930 55.425 0.505 19213 5575 1 7 . 1 1 491 491 GLU CB C 491 28.942 28.942 30.741 -1.799 19213 5576 1 7 . 1 1 491 491 GLU H H 491 9.289 9.289 8.682 0.607 19213 5577 1 7 . 1 1 492 492 ASP N N 492 130.401 130.401 126.483 3.918 19213 5578 1 7 . 1 1 492 492 ASP HA H 492 5.210 5.210 4.992 0.218 19213 5579 1 7 . 1 1 492 492 ASP CA C 492 50.160 50.160 51.704 -1.544 19213 5580 1 7 . 1 1 492 492 ASP CB C 492 43.965 43.965 42.912 1.053 19213 5581 1 7 . 1 1 492 492 ASP H H 492 9.437 9.437 8.398 1.039 19213 5582 1 7 . 1 1 493 493 PRO HA H 493 4.359 4.359 4.309 0.050 19213 5583 1 7 . 1 1 493 493 PRO C C 493 176.079 176.079 175.769 0.310 19213 5584 1 7 . 1 1 493 493 PRO CA C 493 63.617 63.617 62.818 0.799 19213 5585 1 7 . 1 1 493 493 PRO CB C 493 33.300 33.300 29.901 3.399 19213 5586 1 7 . 1 1 494 494 CYS N N 494 117.251 117.251 118.740 -1.489 19213 5587 1 7 . 1 1 494 494 CYS HA H 494 4.147 4.147 4.439 -0.292 19213 5588 1 7 . 1 1 494 494 CYS C C 494 176.789 176.789 176.415 0.374 19213 5589 1 7 . 1 1 494 494 CYS CA C 494 58.195 58.195 59.541 -1.346 19213 5590 1 7 . 1 1 494 494 CYS CB C 494 33.343 33.343 28.794 4.549 19213 5591 1 7 . 1 1 494 494 CYS H H 494 8.806 8.806 7.878 0.928 19213 5592 1 7 . 1 1 495 495 PHE N N 495 118.785 118.785 121.487 -2.702 19213 5593 1 7 . 1 1 495 495 PHE HA H 495 4.328 4.328 4.538 -0.210 19213 5594 1 7 . 1 1 495 495 PHE C C 495 176.529 176.529 177.543 -1.014 19213 5595 1 7 . 1 1 495 495 PHE CA C 495 63.265 63.265 59.799 3.466 19213 5596 1 7 . 1 1 495 495 PHE CB C 495 37.239 37.239 37.917 -0.678 19213 5597 1 7 . 1 1 495 495 PHE H H 495 6.799 6.799 8.093 -1.294 19213 5598 1 7 . 1 1 496 496 ARG N N 496 118.755 118.755 119.218 -0.463 19213 5599 1 7 . 1 1 496 496 ARG HA H 496 3.692 3.692 3.326 0.366 19213 5600 1 7 . 1 1 496 496 ARG C C 496 178.119 178.119 176.318 1.801 19213 5601 1 7 . 1 1 496 496 ARG CA C 496 58.495 58.495 57.964 0.531 19213 5602 1 7 . 1 1 496 496 ARG CB C 496 29.942 29.942 28.296 1.646 19213 5603 1 7 . 1 1 496 496 ARG H H 496 9.000 9.000 5.929 3.071 19213 5604 1 7 . 1 1 497 497 GLU N N 497 115.895 115.895 118.236 -2.341 19213 5605 1 7 . 1 1 497 497 GLU HA H 497 3.858 3.858 3.484 0.374 19213 5606 1 7 . 1 1 497 497 GLU C C 497 177.981 177.981 176.936 1.045 19213 5607 1 7 . 1 1 497 497 GLU CA C 497 58.920 58.920 57.468 1.452 19213 5608 1 7 . 1 1 497 497 GLU CB C 497 29.841 29.841 29.591 0.250 19213 5609 1 7 . 1 1 497 497 GLU H H 497 7.849 7.849 7.670 0.179 19213 5610 1 7 . 1 1 498 498 HIS N N 498 111.119 111.119 116.209 -5.090 19213 5611 1 7 . 1 1 498 498 HIS HA H 498 4.710 4.710 4.550 0.160 19213 5612 1 7 . 1 1 498 498 HIS CA C 498 55.904 55.904 57.531 -1.627 19213 5613 1 7 . 1 1 498 498 HIS CB C 498 30.890 30.890 30.404 0.486 19213 5614 1 7 . 1 1 498 498 HIS H H 498 7.717 7.717 7.117 0.600 19213 5615 1 7 . 1 1 499 499 TRP HA H 499 5.476 5.476 4.581 0.895 19213 5616 1 7 . 1 1 499 499 TRP C C 499 176.398 176.398 177.639 -1.241 19213 5617 1 7 . 1 1 499 499 TRP CA C 499 58.111 58.111 61.305 -3.194 19213 5618 1 7 . 1 1 499 499 TRP CB C 499 34.294 34.294 28.885 5.409 19213 5619 1 7 . 1 1 500 500 VAL N N 500 121.907 121.907 122.002 -0.095 19213 5620 1 7 . 1 1 500 500 VAL HA H 500 3.421 3.421 3.318 0.103 19213 5621 1 7 . 1 1 500 500 VAL C C 500 177.163 177.163 177.037 0.126 19213 5622 1 7 . 1 1 500 500 VAL CA C 500 68.043 68.043 66.627 1.416 19213 5623 1 7 . 1 1 500 500 VAL CB C 500 31.127 31.127 31.492 -0.365 19213 5624 1 7 . 1 1 500 500 VAL H H 500 8.071 8.071 7.565 0.506 19213 5625 1 7 . 1 1 501 501 GLU N N 501 117.634 117.634 119.216 -1.582 19213 5626 1 7 . 1 1 501 501 GLU HA H 501 4.130 4.130 3.937 0.193 19213 5627 1 7 . 1 1 501 501 GLU C C 501 178.314 178.314 178.551 -0.237 19213 5628 1 7 . 1 1 501 501 GLU CA C 501 58.781 58.781 59.228 -0.447 19213 5629 1 7 . 1 1 501 501 GLU CB C 501 28.631 28.631 28.626 0.005 19213 5630 1 7 . 1 1 501 501 GLU H H 501 8.188 8.188 8.237 -0.049 19213 5631 1 7 . 1 1 502 502 ALA N N 502 120.830 120.830 122.390 -1.560 19213 5632 1 7 . 1 1 502 502 ALA HA H 502 4.106 4.106 4.056 0.050 19213 5633 1 7 . 1 1 502 502 ALA C C 502 181.963 181.963 180.294 1.669 19213 5634 1 7 . 1 1 502 502 ALA CA C 502 54.953 54.953 54.656 0.297 19213 5635 1 7 . 1 1 502 502 ALA CB C 502 18.558 18.558 18.149 0.409 19213 5636 1 7 . 1 1 502 502 ALA H H 502 7.996 7.996 7.796 0.200 19213 5637 1 7 . 1 1 503 503 TYR N N 503 118.238 118.238 119.463 -1.225 19213 5638 1 7 . 1 1 503 503 TYR HA H 503 4.362 4.362 4.427 -0.065 19213 5639 1 7 . 1 1 503 503 TYR C C 503 178.723 178.723 179.177 -0.454 19213 5640 1 7 . 1 1 503 503 TYR CA C 503 64.148 64.148 60.104 4.044 19213 5641 1 7 . 1 1 503 503 TYR CB C 503 39.126 39.126 37.963 1.163 19213 5642 1 7 . 1 1 503 503 TYR H H 503 8.665 8.665 8.814 -0.149 19213 5643 1 7 . 1 1 504 504 ARG N N 504 121.723 121.723 118.490 3.233 19213 5644 1 7 . 1 1 504 504 ARG HA H 504 3.905 3.905 4.125 -0.220 19213 5645 1 7 . 1 1 504 504 ARG C C 504 177.714 177.714 177.927 -0.213 19213 5646 1 7 . 1 1 504 504 ARG CA C 504 59.679 59.679 58.677 1.002 19213 5647 1 7 . 1 1 504 504 ARG CB C 504 30.495 30.495 29.454 1.041 19213 5648 1 7 . 1 1 504 504 ARG H H 504 8.824 8.824 8.004 0.820 19213 5649 1 7 . 1 1 505 505 GLN N N 505 113.473 113.473 115.207 -1.734 19213 5650 1 7 . 1 1 505 505 GLN HA H 505 4.332 4.332 4.371 -0.039 19213 5651 1 7 . 1 1 505 505 GLN C C 505 176.403 176.403 177.010 -0.607 19213 5652 1 7 . 1 1 505 505 GLN CA C 505 55.387 55.387 55.417 -0.030 19213 5653 1 7 . 1 1 505 505 GLN CB C 505 28.792 28.792 29.096 -0.304 19213 5654 1 7 . 1 1 505 505 GLN H H 505 7.613 7.613 7.600 0.013 19213 5655 1 7 . 1 1 506 506 GLY N N 506 106.968 106.968 107.624 -0.656 19213 5656 1 7 . 1 1 506 506 GLY C C 506 174.133 174.133 174.458 -0.325 19213 5657 1 7 . 1 1 506 506 GLY CA C 506 45.874 45.874 45.074 0.800 19213 5658 1 7 . 1 1 506 506 GLY H H 506 7.867 7.867 8.185 -0.318 19213 5659 1 7 . 1 1 507 507 ARG N N 507 123.761 123.761 119.748 4.013 19213 5660 1 7 . 1 1 507 507 ARG HA H 507 3.717 3.717 4.453 -0.736 19213 5661 1 7 . 1 1 507 507 ARG C C 507 171.000 171.000 175.319 -4.319 19213 5662 1 7 . 1 1 507 507 ARG CA C 507 58.285 58.285 55.545 2.740 19213 5663 1 7 . 1 1 507 507 ARG CB C 507 29.901 29.901 31.530 -1.629 19213 5664 1 7 . 1 1 507 507 ARG H H 507 7.858 7.858 7.736 0.122 19213 5665 1 7 . 1 1 508 508 ILE N N 508 119.641 119.641 119.683 -0.042 19213 5666 1 7 . 1 1 508 508 ILE HA H 508 4.859 4.859 4.365 0.494 19213 5667 1 7 . 1 1 508 508 ILE C C 508 176.521 176.521 174.098 2.423 19213 5668 1 7 . 1 1 508 508 ILE CA C 508 59.199 59.199 58.791 0.408 19213 5669 1 7 . 1 1 508 508 ILE CB C 508 42.573 42.573 41.892 0.681 19213 5670 1 7 . 1 1 508 508 ILE H H 508 7.180 7.180 8.186 -1.006 19213 5671 1 7 . 1 1 509 509 GLN N N 509 125.871 125.871 125.497 0.374 19213 5672 1 7 . 1 1 509 509 GLN HA H 509 4.918 4.918 4.603 0.315 19213 5673 1 7 . 1 1 509 509 GLN C C 509 173.750 173.750 173.426 0.324 19213 5674 1 7 . 1 1 509 509 GLN CA C 509 54.255 54.255 54.691 -0.436 19213 5675 1 7 . 1 1 509 509 GLN CB C 509 32.267 32.267 32.286 -0.019 19213 5676 1 7 . 1 1 509 509 GLN H H 509 8.536 8.536 8.335 0.201 19213 5677 1 7 . 1 1 510 510 ALA N N 510 133.952 133.952 130.409 3.543 19213 5678 1 7 . 1 1 510 510 ALA HA H 510 4.946 4.946 5.914 -0.968 19213 5679 1 7 . 1 1 510 510 ALA C C 510 175.742 175.742 176.874 -1.132 19213 5680 1 7 . 1 1 510 510 ALA CA C 510 51.009 51.009 50.818 0.191 19213 5681 1 7 . 1 1 510 510 ALA CB C 510 21.245 21.245 21.230 0.015 19213 5682 1 7 . 1 1 510 510 ALA H H 510 8.865 8.865 8.584 0.281 19213 5683 1 7 . 1 1 511 511 THR N N 511 121.442 121.442 122.729 -1.287 19213 5684 1 7 . 1 1 511 511 THR HA H 511 4.652 4.652 4.688 -0.036 19213 5685 1 7 . 1 1 511 511 THR C C 511 174.487 174.487 174.818 -0.331 19213 5686 1 7 . 1 1 511 511 THR CA C 511 62.152 62.152 61.371 0.781 19213 5687 1 7 . 1 1 511 511 THR CB C 511 69.678 69.678 70.632 -0.954 19213 5688 1 7 . 1 1 511 511 THR H H 511 9.368 9.368 8.914 0.454 19213 5689 1 7 . 1 1 512 512 THR N N 512 126.491 126.491 119.092 7.399 19213 5690 1 7 . 1 1 512 512 THR HA H 512 4.706 4.706 4.031 0.675 19213 5691 1 7 . 1 1 512 512 THR C C 512 173.054 173.054 174.509 -1.455 19213 5692 1 7 . 1 1 512 512 THR CA C 512 63.609 63.609 65.904 -2.295 19213 5693 1 7 . 1 1 512 512 THR CB C 512 69.408 69.408 69.120 0.288 19213 5694 1 7 . 1 1 512 512 THR H H 512 8.829 8.829 8.283 0.546 19213 5695 1 7 . 1 1 513 513 ASP N N 513 113.706 113.706 119.514 -5.808 19213 5696 1 7 . 1 1 513 513 ASP HA H 513 5.022 5.022 4.982 0.040 19213 5697 1 7 . 1 1 513 513 ASP C C 513 179.097 179.097 177.018 2.079 19213 5698 1 7 . 1 1 513 513 ASP CA C 513 52.164 52.164 52.097 0.067 19213 5699 1 7 . 1 1 513 513 ASP CB C 513 42.331 42.331 40.866 1.465 19213 5700 1 7 . 1 1 513 513 ASP H H 513 7.272 7.272 7.985 -0.713 19213 5701 1 7 . 1 1 514 514 ILE N N 514 123.327 123.327 122.291 1.036 19213 5702 1 7 . 1 1 514 514 ILE HA H 514 3.636 3.636 3.974 -0.338 19213 5703 1 7 . 1 1 514 514 ILE C C 514 175.769 175.769 176.169 -0.400 19213 5704 1 7 . 1 1 514 514 ILE CA C 514 63.545 63.545 63.753 -0.208 19213 5705 1 7 . 1 1 514 514 ILE CB C 514 38.180 38.180 37.357 0.823 19213 5706 1 7 . 1 1 514 514 ILE H H 514 8.916 8.916 8.469 0.447 19213 5707 1 7 . 1 1 515 515 PHE N N 515 117.344 117.344 118.413 -1.069 19213 5708 1 7 . 1 1 515 515 PHE HA H 515 4.517 4.517 4.388 0.129 19213 5709 1 7 . 1 1 515 515 PHE C C 515 176.514 176.514 176.676 -0.162 19213 5710 1 7 . 1 1 515 515 PHE CA C 515 58.401 58.401 59.994 -1.593 19213 5711 1 7 . 1 1 515 515 PHE CB C 515 37.600 37.600 38.792 -1.192 19213 5712 1 7 . 1 1 515 515 PHE H H 515 8.154 8.154 8.013 0.141 19213 5713 1 7 . 1 1 516 516 LYS N N 516 120.351 120.351 116.777 3.574 19213 5714 1 7 . 1 1 516 516 LYS HA H 516 4.715 4.715 4.384 0.331 19213 5715 1 7 . 1 1 516 516 LYS C C 516 175.486 175.486 176.029 -0.543 19213 5716 1 7 . 1 1 516 516 LYS CA C 516 54.831 54.831 56.352 -1.521 19213 5717 1 7 . 1 1 516 516 LYS CB C 516 33.581 33.581 33.989 -0.408 19213 5718 1 7 . 1 1 516 516 LYS H H 516 7.634 7.634 8.297 -0.663 19213 5719 1 7 . 1 1 517 517 ALA N N 517 122.264 122.264 122.265 -0.001 19213 5720 1 7 . 1 1 517 517 ALA HA H 517 4.561 4.561 4.529 0.032 19213 5721 1 7 . 1 1 517 517 ALA C C 517 176.799 176.799 176.533 0.266 19213 5722 1 7 . 1 1 517 517 ALA CA C 517 51.980 51.980 51.938 0.042 19213 5723 1 7 . 1 1 517 517 ALA CB C 517 20.779 20.779 19.848 0.931 19213 5724 1 7 . 1 1 517 517 ALA H H 517 7.552 7.552 7.164 0.388 19213 5725 1 7 . 1 1 518 518 GLY N N 518 110.102 110.102 112.126 -2.024 19213 5726 1 7 . 1 1 518 518 GLY C C 518 175.260 175.260 175.061 0.199 19213 5727 1 7 . 1 1 518 518 GLY CA C 518 46.252 46.252 44.641 1.611 19213 5728 1 7 . 1 1 518 518 GLY H H 518 8.499 8.499 8.540 -0.041 19213 5729 1 7 . 1 1 519 519 LEU N N 519 120.980 120.980 120.725 0.255 19213 5730 1 7 . 1 1 519 519 LEU HA H 519 4.285 4.285 4.161 0.124 19213 5731 1 7 . 1 1 519 519 LEU C C 519 176.687 176.687 176.927 -0.240 19213 5732 1 7 . 1 1 519 519 LEU CA C 519 54.291 54.291 54.828 -0.537 19213 5733 1 7 . 1 1 519 519 LEU CB C 519 42.942 42.942 39.547 3.395 19213 5734 1 7 . 1 1 519 519 LEU H H 519 8.418 8.418 8.415 0.003 19213 5735 1 7 . 1 1 520 520 THR N N 520 107.429 107.429 116.914 -9.485 19213 5736 1 7 . 1 1 520 520 THR HA H 520 4.420 4.420 4.270 0.150 19213 5737 1 7 . 1 1 520 520 THR CA C 520 60.231 60.231 62.013 -1.782 19213 5738 1 7 . 1 1 520 520 THR CB C 520 71.205 71.205 69.713 1.492 19213 5739 1 7 . 1 1 520 520 THR H H 520 6.149 6.149 7.959 -1.810 19213 5740 1 7 . 1 1 521 521 GLU N N 521 118.700 118.700 120.377 -1.677 19213 5741 1 7 . 1 1 521 521 GLU HA H 521 4.173 4.173 4.355 -0.182 19213 5742 1 7 . 1 1 521 521 GLU C C 521 176.567 176.567 178.565 -1.998 19213 5743 1 7 . 1 1 521 521 GLU CA C 521 57.220 57.220 57.701 -0.481 19213 5744 1 7 . 1 1 521 521 GLU CB C 521 30.353 30.353 29.658 0.695 19213 5745 1 7 . 1 1 521 521 GLU H H 521 7.290 7.290 8.760 -1.470 19213 5746 1 7 . 1 1 522 522 CYS N N 522 121.185 121.185 117.035 4.150 19213 5747 1 7 . 1 1 522 522 CYS HA H 522 4.139 4.139 4.448 -0.309 19213 5748 1 7 . 1 1 522 522 CYS C C 522 177.769 177.769 177.263 0.506 19213 5749 1 7 . 1 1 522 522 CYS CA C 522 61.379 61.379 61.153 0.226 19213 5750 1 7 . 1 1 522 522 CYS CB C 522 32.851 32.851 26.527 6.324 19213 5751 1 7 . 1 1 522 522 CYS H H 522 8.218 8.218 8.438 -0.220 19213 5752 1 7 . 1 1 523 523 HIS N N 523 117.000 117.000 121.529 -4.529 19213 5753 1 7 . 1 1 523 523 HIS HA H 523 3.796 3.796 4.271 -0.475 19213 5754 1 7 . 1 1 523 523 HIS C C 523 177.832 177.832 177.113 0.719 19213 5755 1 7 . 1 1 523 523 HIS CA C 523 59.058 59.058 59.066 -0.008 19213 5756 1 7 . 1 1 523 523 HIS CB C 523 28.841 28.841 29.251 -0.410 19213 5757 1 7 . 1 1 523 523 HIS H H 523 7.333 7.333 8.215 -0.882 19213 5758 1 7 . 1 1 524 524 LEU N N 524 117.403 117.403 118.029 -0.626 19213 5759 1 7 . 1 1 524 524 LEU HA H 524 3.792 3.792 3.592 0.200 19213 5760 1 7 . 1 1 524 524 LEU C C 524 180.184 180.184 178.641 1.543 19213 5761 1 7 . 1 1 524 524 LEU CA C 524 58.223 58.223 58.074 0.149 19213 5762 1 7 . 1 1 524 524 LEU CB C 524 41.482 41.482 41.281 0.202 19213 5763 1 7 . 1 1 524 524 LEU H H 524 8.582 8.582 8.529 0.053 19213 5764 1 7 . 1 1 525 525 ASN N N 525 118.149 118.149 115.171 2.978 19213 5765 1 7 . 1 1 525 525 ASN HA H 525 4.534 4.534 4.546 -0.012 19213 5766 1 7 . 1 1 525 525 ASN C C 525 177.023 177.023 176.363 0.660 19213 5767 1 7 . 1 1 525 525 ASN CA C 525 55.784 55.784 55.250 0.534 19213 5768 1 7 . 1 1 525 525 ASN CB C 525 38.017 38.017 38.110 -0.093 19213 5769 1 7 . 1 1 525 525 ASN H H 525 9.226 9.226 7.799 1.427 19213 5770 1 7 . 1 1 526 526 GLN N N 526 115.619 115.619 118.823 -3.204 19213 5771 1 7 . 1 1 526 526 GLN HA H 526 4.358 4.358 4.259 0.099 19213 5772 1 7 . 1 1 526 526 GLN C C 526 175.801 175.801 176.961 -1.160 19213 5773 1 7 . 1 1 526 526 GLN CA C 526 57.008 57.008 58.171 -1.163 19213 5774 1 7 . 1 1 526 526 GLN CB C 526 28.586 28.586 29.497 -0.911 19213 5775 1 7 . 1 1 526 526 GLN H H 526 7.290 7.290 7.783 -0.493 19213 5776 1 7 . 1 1 527 527 LEU N N 527 115.651 115.651 118.981 -3.330 19213 5777 1 7 . 1 1 527 527 LEU HA H 527 4.130 4.130 4.283 -0.153 19213 5778 1 7 . 1 1 527 527 LEU C C 527 178.587 178.587 178.223 0.364 19213 5779 1 7 . 1 1 527 527 LEU CA C 527 55.568 55.568 55.663 -0.095 19213 5780 1 7 . 1 1 527 527 LEU CB C 527 42.148 42.148 41.864 0.284 19213 5781 1 7 . 1 1 527 527 LEU H H 527 6.944 6.944 7.800 -0.856 19213 5782 1 7 . 1 1 528 528 ARG N N 528 121.110 121.110 120.744 0.366 19213 5783 1 7 . 1 1 528 528 ARG HA H 528 4.310 4.310 4.007 0.303 19213 5784 1 7 . 1 1 528 528 ARG CA C 528 61.278 61.278 61.505 -0.227 19213 5785 1 7 . 1 1 528 528 ARG CB C 528 28.800 28.800 28.531 0.269 19213 5786 1 7 . 1 1 528 528 ARG H H 528 8.246 8.246 7.751 0.495 19213 5787 1 7 . 1 1 529 529 PRO HA H 529 4.432 4.432 4.312 0.120 19213 5788 1 7 . 1 1 529 529 PRO C C 529 177.119 177.119 177.230 -0.111 19213 5789 1 7 . 1 1 529 529 PRO CA C 529 65.500 65.500 64.705 0.795 19213 5790 1 7 . 1 1 529 529 PRO CB C 529 31.079 31.079 31.421 -0.342 19213 5791 1 7 . 1 1 530 530 LEU N N 530 113.140 113.140 116.339 -3.199 19213 5792 1 7 . 1 1 530 530 LEU HA H 530 4.186 4.186 4.402 -0.216 19213 5793 1 7 . 1 1 530 530 LEU C C 530 176.839 176.839 177.269 -0.430 19213 5794 1 7 . 1 1 530 530 LEU CA C 530 54.360 54.360 54.696 -0.336 19213 5795 1 7 . 1 1 530 530 LEU CB C 530 42.962 42.962 42.109 0.853 19213 5796 1 7 . 1 1 530 530 LEU H H 530 6.908 6.908 7.097 -0.189 19213 5797 1 7 . 1 1 531 531 LYS N N 531 114.250 114.250 115.634 -1.384 19213 5798 1 7 . 1 1 531 531 LYS HA H 531 3.881 3.881 3.937 -0.056 19213 5799 1 7 . 1 1 531 531 LYS C C 531 173.063 173.063 175.269 -2.206 19213 5800 1 7 . 1 1 531 531 LYS CA C 531 57.573 57.573 56.829 0.744 19213 5801 1 7 . 1 1 531 531 LYS CB C 531 28.802 28.802 30.447 -1.645 19213 5802 1 7 . 1 1 531 531 LYS H H 531 8.120 8.120 7.743 0.377 19213 5803 1 7 . 1 1 532 532 VAL N N 532 115.759 115.759 119.155 -3.396 19213 5804 1 7 . 1 1 532 532 VAL HA H 532 3.000 3.000 3.753 -0.753 19213 5805 1 7 . 1 1 532 532 VAL C C 532 174.337 174.337 175.769 -1.432 19213 5806 1 7 . 1 1 532 532 VAL CA C 532 64.525 64.525 63.767 0.758 19213 5807 1 7 . 1 1 532 532 VAL CB C 532 32.785 32.785 30.875 1.910 19213 5808 1 7 . 1 1 532 532 VAL H H 532 6.477 6.477 7.376 -0.899 19213 5809 1 7 . 1 1 533 533 ARG N N 533 123.594 123.594 128.784 -5.190 19213 5810 1 7 . 1 1 533 533 ARG HA H 533 4.457 4.457 4.627 -0.170 19213 5811 1 7 . 1 1 533 533 ARG C C 533 173.662 173.662 174.658 -0.996 19213 5812 1 7 . 1 1 533 533 ARG CA C 533 53.844 53.844 55.139 -1.294 19213 5813 1 7 . 1 1 533 533 ARG CB C 533 31.242 31.242 30.171 1.071 19213 5814 1 7 . 1 1 533 533 ARG H H 533 8.917 8.917 7.998 0.919 19213 5815 1 7 . 1 1 534 534 ALA N N 534 123.107 123.107 122.613 0.494 19213 5816 1 7 . 1 1 534 534 ALA HA H 534 4.663 4.663 5.172 -0.509 19213 5817 1 7 . 1 1 534 534 ALA C C 534 176.608 176.608 175.192 1.416 19213 5818 1 7 . 1 1 534 534 ALA CA C 534 51.456 51.456 51.881 -0.425 19213 5819 1 7 . 1 1 534 534 ALA CB C 534 25.134 25.134 20.992 4.142 19213 5820 1 7 . 1 1 534 534 ALA H H 534 8.338 8.338 7.795 0.543 19213 5821 1 7 . 1 1 535 535 ASN N N 535 117.841 117.841 117.901 -0.060 19213 5822 1 7 . 1 1 535 535 ASN HA H 535 6.000 6.000 4.890 1.110 19213 5823 1 7 . 1 1 535 535 ASN C C 535 170.841 170.841 173.090 -2.249 19213 5824 1 7 . 1 1 535 535 ASN CA C 535 52.258 52.258 53.645 -1.387 19213 5825 1 7 . 1 1 535 535 ASN CB C 535 42.060 42.060 40.648 1.412 19213 5826 1 7 . 1 1 535 535 ASN H H 535 9.052 9.052 8.648 0.404 19213 5827 1 7 . 1 1 536 536 LEU N N 536 123.199 123.199 127.979 -4.780 19213 5828 1 7 . 1 1 536 536 LEU HA H 536 4.667 4.667 4.642 0.025 19213 5829 1 7 . 1 1 536 536 LEU C C 536 173.345 173.345 173.588 -0.243 19213 5830 1 7 . 1 1 536 536 LEU CA C 536 54.258 54.258 53.367 0.891 19213 5831 1 7 . 1 1 536 536 LEU CB C 536 43.282 43.282 44.852 -1.570 19213 5832 1 7 . 1 1 536 536 LEU H H 536 8.163 8.163 7.766 0.397 19213 5833 1 7 . 1 1 537 537 VAL N N 537 128.390 128.390 123.298 5.092 19213 5834 1 7 . 1 1 537 537 VAL HA H 537 4.428 4.428 4.470 -0.042 19213 5835 1 7 . 1 1 537 537 VAL C C 537 174.411 174.411 173.669 0.742 19213 5836 1 7 . 1 1 537 537 VAL CA C 537 62.112 62.112 59.737 2.375 19213 5837 1 7 . 1 1 537 537 VAL CB C 537 34.747 34.747 33.002 1.745 19213 5838 1 7 . 1 1 537 537 VAL H H 537 8.881 8.881 7.746 1.135 19213 5839 1 7 . 1 1 538 538 VAL N N 538 118.758 118.758 124.964 -6.206 19213 5840 1 7 . 1 1 538 538 VAL HA H 538 5.360 5.360 4.455 0.905 19213 5841 1 7 . 1 1 538 538 VAL CA C 538 56.783 56.783 58.492 -1.709 19213 5842 1 7 . 1 1 538 538 VAL CB C 538 33.069 33.069 33.444 -0.374 19213 5843 1 7 . 1 1 538 538 VAL H H 538 8.456 8.456 8.229 0.227 19213 5844 1 7 . 1 1 539 539 PRO HA H 539 4.832 4.832 4.635 0.197 19213 5845 1 7 . 1 1 539 539 PRO C C 539 175.835 175.835 175.850 -0.015 19213 5846 1 7 . 1 1 539 539 PRO CA C 539 62.909 62.909 63.104 -0.195 19213 5847 1 7 . 1 1 539 539 PRO CB C 539 34.483 34.483 32.078 2.405 19213 5848 1 7 . 1 1 540 540 MET N N 540 116.774 116.774 124.818 -8.044 19213 5849 1 7 . 1 1 540 540 MET HA H 540 4.372 4.372 4.945 -0.573 19213 5850 1 7 . 1 1 540 540 MET C C 540 173.982 173.982 174.661 -0.679 19213 5851 1 7 . 1 1 540 540 MET CA C 540 55.763 55.763 53.461 2.302 19213 5852 1 7 . 1 1 540 540 MET CB C 540 35.394 35.394 34.312 1.082 19213 5853 1 7 . 1 1 540 540 MET H H 540 8.212 8.212 8.311 -0.099 19213 5854 1 7 . 1 1 541 541 VAL N N 541 127.382 127.382 121.059 6.323 19213 5855 1 7 . 1 1 541 541 VAL HA H 541 4.851 4.851 5.201 -0.350 19213 5856 1 7 . 1 1 541 541 VAL C C 541 174.789 174.789 174.707 0.082 19213 5857 1 7 . 1 1 541 541 VAL CA C 541 61.847 61.847 59.806 2.041 19213 5858 1 7 . 1 1 541 541 VAL CB C 541 33.092 33.092 32.951 0.141 19213 5859 1 7 . 1 1 541 541 VAL H H 541 8.342 8.342 8.588 -0.246 19213 5860 1 7 . 1 1 542 542 ILE N N 542 126.100 126.100 128.165 -2.065 19213 5861 1 7 . 1 1 542 542 ILE HA H 542 4.225 4.225 4.300 -0.075 19213 5862 1 7 . 1 1 542 542 ILE C C 542 176.127 176.127 175.705 0.422 19213 5863 1 7 . 1 1 542 542 ILE CA C 542 60.535 60.535 60.423 0.112 19213 5864 1 7 . 1 1 542 542 ILE CB C 542 41.569 41.569 40.379 1.190 19213 5865 1 7 . 1 1 542 542 ILE H H 542 8.687 8.687 9.103 -0.416 19213 5866 1 7 . 1 1 543 543 ASP N N 543 132.060 132.060 126.356 5.704 19213 5867 1 7 . 1 1 543 543 ASP HA H 543 4.203 4.203 4.325 -0.122 19213 5868 1 7 . 1 1 543 543 ASP C C 543 175.231 175.231 175.392 -0.161 19213 5869 1 7 . 1 1 543 543 ASP CA C 543 55.725 55.725 55.534 0.191 19213 5870 1 7 . 1 1 543 543 ASP CB C 543 39.705 39.705 39.024 0.681 19213 5871 1 7 . 1 1 543 543 ASP H H 543 10.386 10.386 8.927 1.459 19213 5872 1 7 . 1 1 544 544 ASP N N 544 111.355 111.355 111.981 -0.626 19213 5873 1 7 . 1 1 544 544 ASP HA H 544 4.109 4.109 4.173 -0.064 19213 5874 1 7 . 1 1 544 544 ASP C C 544 174.479 174.479 174.674 -0.195 19213 5875 1 7 . 1 1 544 544 ASP CA C 544 55.744 55.744 55.633 0.111 19213 5876 1 7 . 1 1 544 544 ASP CB C 544 41.048 41.048 39.915 1.133 19213 5877 1 7 . 1 1 544 544 ASP H H 544 8.812 8.812 8.718 0.094 19213 5878 1 7 . 1 1 545 545 GLN N N 545 117.226 117.226 117.715 -0.489 19213 5879 1 7 . 1 1 545 545 GLN HA H 545 4.582 4.582 4.607 -0.025 19213 5880 1 7 . 1 1 545 545 GLN C C 545 174.762 174.762 174.141 0.621 19213 5881 1 7 . 1 1 545 545 GLN CA C 545 53.703 53.703 54.442 -0.739 19213 5882 1 7 . 1 1 545 545 GLN CB C 545 31.687 31.687 31.786 -0.099 19213 5883 1 7 . 1 1 545 545 GLN H H 545 7.884 7.884 8.128 -0.244 19213 5884 1 7 . 1 1 546 546 LEU N N 546 123.783 123.783 129.652 -5.869 19213 5885 1 7 . 1 1 546 546 LEU HA H 546 4.590 4.590 4.257 0.333 19213 5886 1 7 . 1 1 546 546 LEU C C 546 174.041 174.041 176.051 -2.010 19213 5887 1 7 . 1 1 546 546 LEU CA C 546 55.029 55.029 55.378 -0.349 19213 5888 1 7 . 1 1 546 546 LEU CB C 546 42.361 42.361 41.158 1.202 19213 5889 1 7 . 1 1 546 546 LEU H H 546 9.175 9.175 8.843 0.332 19213 5890 1 7 . 1 1 547 547 PHE N N 547 132.161 132.161 125.872 6.289 19213 5891 1 7 . 1 1 547 547 PHE HA H 547 4.564 4.564 4.689 -0.124 19213 5892 1 7 . 1 1 547 547 PHE C C 547 176.063 176.063 174.649 1.414 19213 5893 1 7 . 1 1 547 547 PHE CA C 547 59.445 59.445 58.690 0.755 19213 5894 1 7 . 1 1 547 547 PHE CB C 547 41.069 41.069 40.941 0.128 19213 5895 1 7 . 1 1 547 547 PHE H H 547 8.925 8.925 7.971 0.954 19213 5896 1 7 . 1 1 548 548 GLY N N 548 103.713 103.713 103.910 -0.197 19213 5897 1 7 . 1 1 548 548 GLY C C 548 169.176 169.176 170.889 -1.713 19213 5898 1 7 . 1 1 548 548 GLY CA C 548 45.906 45.906 44.565 1.341 19213 5899 1 7 . 1 1 548 548 GLY H H 548 8.025 8.025 7.328 0.697 19213 5900 1 7 . 1 1 549 549 LEU N N 549 117.457 117.457 118.811 -1.354 19213 5901 1 7 . 1 1 549 549 LEU HA H 549 4.872 4.872 4.907 -0.035 19213 5902 1 7 . 1 1 549 549 LEU C C 549 174.008 174.008 173.617 0.391 19213 5903 1 7 . 1 1 549 549 LEU CA C 549 52.697 52.697 54.379 -1.682 19213 5904 1 7 . 1 1 549 549 LEU CB C 549 44.641 44.641 46.766 -2.125 19213 5905 1 7 . 1 1 549 549 LEU H H 549 8.738 8.738 7.384 1.354 19213 5906 1 7 . 1 1 550 550 LEU N N 550 127.533 127.533 127.131 0.402 19213 5907 1 7 . 1 1 550 550 LEU HA H 550 4.920 4.920 4.632 0.288 19213 5908 1 7 . 1 1 550 550 LEU C C 550 175.162 175.162 174.810 0.352 19213 5909 1 7 . 1 1 550 550 LEU CA C 550 53.922 53.922 53.558 0.364 19213 5910 1 7 . 1 1 550 550 LEU CB C 550 42.857 42.857 43.426 -0.569 19213 5911 1 7 . 1 1 550 550 LEU H H 550 9.078 9.078 7.977 1.101 19213 5912 1 7 . 1 1 551 551 ILE N N 551 123.427 123.427 123.076 0.351 19213 5913 1 7 . 1 1 551 551 ILE HA H 551 5.332 5.332 5.202 0.130 19213 5914 1 7 . 1 1 551 551 ILE C C 551 174.056 174.056 174.021 0.035 19213 5915 1 7 . 1 1 551 551 ILE CA C 551 59.702 59.702 58.532 1.170 19213 5916 1 7 . 1 1 551 551 ILE CB C 551 41.568 41.568 40.336 1.232 19213 5917 1 7 . 1 1 551 551 ILE H H 551 8.382 8.382 7.892 0.490 19213 5918 1 7 . 1 1 552 552 ALA N N 552 129.153 129.153 127.013 2.140 19213 5919 1 7 . 1 1 552 552 ALA HA H 552 5.130 5.130 4.290 0.840 19213 5920 1 7 . 1 1 552 552 ALA C C 552 176.892 176.892 174.448 2.444 19213 5921 1 7 . 1 1 552 552 ALA CA C 552 49.481 49.481 50.118 -0.637 19213 5922 1 7 . 1 1 552 552 ALA CB C 552 22.936 22.936 21.674 1.262 19213 5923 1 7 . 1 1 552 552 ALA H H 552 9.245 9.245 7.515 1.730 19213 5924 1 7 . 1 1 553 553 HIS N N 553 117.481 117.481 117.981 -0.500 19213 5925 1 7 . 1 1 553 553 HIS HA H 553 5.879 5.879 4.677 1.202 19213 5926 1 7 . 1 1 553 553 HIS C C 553 175.709 175.709 173.727 1.982 19213 5927 1 7 . 1 1 553 553 HIS CA C 553 52.575 52.575 55.395 -2.821 19213 5928 1 7 . 1 1 553 553 HIS CB C 553 36.391 36.391 33.468 2.923 19213 5929 1 7 . 1 1 553 553 HIS H H 553 9.584 9.584 8.352 1.232 19213 5930 1 7 . 1 1 554 554 GLN N N 554 125.534 125.534 121.376 4.158 19213 5931 1 7 . 1 1 554 554 GLN HA H 554 4.604 4.604 4.518 0.086 19213 5932 1 7 . 1 1 554 554 GLN C C 554 174.647 174.647 175.910 -1.263 19213 5933 1 7 . 1 1 554 554 GLN CA C 554 55.753 55.753 55.088 0.665 19213 5934 1 7 . 1 1 554 554 GLN CB C 554 30.350 30.350 28.522 1.828 19213 5935 1 7 . 1 1 554 554 GLN H H 554 9.240 9.240 8.823 0.417 19213 5936 1 7 . 1 1 555 555 ALA N N 555 135.281 135.281 130.243 5.038 19213 5937 1 7 . 1 1 555 555 ALA HA H 555 4.543 4.543 4.077 0.466 19213 5938 1 7 . 1 1 555 555 ALA C C 555 177.707 177.707 177.804 -0.097 19213 5939 1 7 . 1 1 555 555 ALA CA C 555 53.062 53.062 54.282 -1.220 19213 5940 1 7 . 1 1 555 555 ALA CB C 555 19.238 19.238 17.787 1.451 19213 5941 1 7 . 1 1 555 555 ALA H H 555 11.446 11.446 8.419 3.027 19213 5942 1 7 . 1 1 556 556 SER N N 556 110.784 110.784 113.600 -2.816 19213 5943 1 7 . 1 1 556 556 SER HA H 556 4.190 4.190 4.322 -0.132 19213 5944 1 7 . 1 1 556 556 SER C C 556 174.538 174.538 175.073 -0.535 19213 5945 1 7 . 1 1 556 556 SER CA C 556 60.691 60.691 61.183 -0.492 19213 5946 1 7 . 1 1 556 556 SER CB C 556 63.729 63.729 63.934 -0.205 19213 5947 1 7 . 1 1 556 556 SER H H 556 8.106 8.106 7.677 0.429 19213 5948 1 7 . 1 1 557 557 GLU N N 557 118.812 118.812 119.538 -0.726 19213 5949 1 7 . 1 1 557 557 GLU CA C 557 53.779 53.779 53.680 0.099 19213 5950 1 7 . 1 1 557 557 GLU CB C 557 30.585 30.585 32.546 -1.961 19213 5951 1 7 . 1 1 557 557 GLU H H 557 7.380 7.380 8.126 -0.746 19213 5952 1 7 . 1 1 558 558 PRO HA H 558 4.290 4.290 4.592 -0.302 19213 5953 1 7 . 1 1 558 558 PRO C C 558 175.238 175.238 176.129 -0.891 19213 5954 1 7 . 1 1 558 558 PRO CA C 558 62.733 62.733 63.296 -0.563 19213 5955 1 7 . 1 1 558 558 PRO CB C 558 32.892 32.892 32.216 0.676 19213 5956 1 7 . 1 1 559 559 ARG N N 559 121.705 121.705 119.043 2.662 19213 5957 1 7 . 1 1 559 559 ARG HA H 559 3.949 3.949 4.492 -0.543 19213 5958 1 7 . 1 1 559 559 ARG C C 559 171.339 171.339 173.546 -2.207 19213 5959 1 7 . 1 1 559 559 ARG CA C 559 55.522 55.522 55.257 0.265 19213 5960 1 7 . 1 1 559 559 ARG CB C 559 33.266 33.266 33.138 0.128 19213 5961 1 7 . 1 1 559 559 ARG H H 559 8.106 8.106 8.379 -0.273 19213 5962 1 7 . 1 1 560 560 GLN N N 560 125.611 125.611 123.454 2.157 19213 5963 1 7 . 1 1 560 560 GLN HA H 560 4.386 4.386 3.828 0.558 19213 5964 1 7 . 1 1 560 560 GLN C C 560 175.691 175.691 174.886 0.805 19213 5965 1 7 . 1 1 560 560 GLN CA C 560 53.655 53.655 54.348 -0.693 19213 5966 1 7 . 1 1 560 560 GLN CB C 560 27.650 27.650 29.318 -1.668 19213 5967 1 7 . 1 1 560 560 GLN H H 560 8.295 8.295 8.424 -0.129 19213 5968 1 7 . 1 1 561 561 TRP N N 561 132.619 132.619 126.124 6.495 19213 5969 1 7 . 1 1 561 561 TRP HA H 561 4.449 4.449 4.821 -0.372 19213 5970 1 7 . 1 1 561 561 TRP C C 561 176.089 176.089 176.225 -0.136 19213 5971 1 7 . 1 1 561 561 TRP CA C 561 56.370 56.370 55.790 0.580 19213 5972 1 7 . 1 1 561 561 TRP CB C 561 28.641 28.641 29.394 -0.753 19213 5973 1 7 . 1 1 561 561 TRP H H 561 7.899 7.899 7.010 0.889 19213 5974 1 7 . 1 1 562 562 GLN N N 562 124.398 124.398 123.971 0.427 19213 5975 1 7 . 1 1 562 562 GLN HA H 562 4.465 4.465 4.204 0.261 19213 5976 1 7 . 1 1 562 562 GLN C C 562 177.060 177.060 177.086 -0.026 19213 5977 1 7 . 1 1 562 562 GLN CA C 562 54.712 54.712 55.756 -1.044 19213 5978 1 7 . 1 1 562 562 GLN CB C 562 30.536 30.536 29.485 1.051 19213 5979 1 7 . 1 1 562 562 GLN H H 562 9.714 9.714 8.597 1.117 19213 5980 1 7 . 1 1 563 563 GLU N N 563 124.299 124.299 120.804 3.495 19213 5981 1 7 . 1 1 563 563 GLU HA H 563 3.913 3.913 4.044 -0.131 19213 5982 1 7 . 1 1 563 563 GLU C C 563 178.669 178.669 178.590 0.079 19213 5983 1 7 . 1 1 563 563 GLU CA C 563 61.261 61.261 59.797 1.464 19213 5984 1 7 . 1 1 563 563 GLU CB C 563 29.246 29.246 29.336 -0.090 19213 5985 1 7 . 1 1 563 563 GLU H H 563 9.197 9.197 8.939 0.258 19213 5986 1 7 . 1 1 564 564 ILE N N 564 115.325 115.325 118.682 -3.357 19213 5987 1 7 . 1 1 564 564 ILE HA H 564 4.217 4.217 3.952 0.265 19213 5988 1 7 . 1 1 564 564 ILE C C 564 177.495 177.495 178.037 -0.542 19213 5989 1 7 . 1 1 564 564 ILE CA C 564 63.396 63.396 63.825 -0.429 19213 5990 1 7 . 1 1 564 564 ILE CB C 564 37.815 37.815 36.630 1.185 19213 5991 1 7 . 1 1 564 564 ILE H H 564 8.482 8.482 8.271 0.211 19213 5992 1 7 . 1 1 565 565 GLU N N 565 121.151 121.151 119.725 1.426 19213 5993 1 7 . 1 1 565 565 GLU HA H 565 4.014 4.014 4.060 -0.046 19213 5994 1 7 . 1 1 565 565 GLU C C 565 178.136 178.136 179.747 -1.611 19213 5995 1 7 . 1 1 565 565 GLU CA C 565 58.734 58.734 59.559 -0.825 19213 5996 1 7 . 1 1 565 565 GLU CB C 565 29.617 29.617 29.053 0.564 19213 5997 1 7 . 1 1 565 565 GLU H H 565 6.700 6.700 7.650 -0.950 19213 5998 1 7 . 1 1 566 566 ILE N N 566 119.835 119.835 121.144 -1.309 19213 5999 1 7 . 1 1 566 566 ILE HA H 566 3.450 3.450 3.938 -0.488 19213 6000 1 7 . 1 1 566 566 ILE C C 566 178.664 178.664 177.915 0.749 19213 6001 1 7 . 1 1 566 566 ILE CA C 566 66.463 66.463 65.572 0.891 19213 6002 1 7 . 1 1 566 566 ILE CB C 566 38.360 38.360 37.764 0.596 19213 6003 1 7 . 1 1 566 566 ILE H H 566 8.122 8.122 7.747 0.375 19213 6004 1 7 . 1 1 567 567 ASP N N 567 120.402 120.402 120.477 -0.075 19213 6005 1 7 . 1 1 567 567 ASP HA H 567 4.372 4.372 4.318 0.054 19213 6006 1 7 . 1 1 567 567 ASP C C 567 179.395 179.395 179.065 0.330 19213 6007 1 7 . 1 1 567 567 ASP CA C 567 57.846 57.846 57.648 0.198 19213 6008 1 7 . 1 1 567 567 ASP CB C 567 40.610 40.610 39.975 0.635 19213 6009 1 7 . 1 1 567 567 ASP H H 567 8.503 8.503 8.090 0.413 19213 6010 1 7 . 1 1 568 568 GLN N N 568 118.044 118.044 119.023 -0.979 19213 6011 1 7 . 1 1 568 568 GLN HA H 568 4.147 4.147 4.077 0.070 19213 6012 1 7 . 1 1 568 568 GLN C C 568 179.163 179.163 178.467 0.696 19213 6013 1 7 . 1 1 568 568 GLN CA C 568 59.243 59.243 58.476 0.767 19213 6014 1 7 . 1 1 568 568 GLN CB C 568 29.668 29.668 28.176 1.492 19213 6015 1 7 . 1 1 568 568 GLN H H 568 8.273 8.273 7.856 0.417 19213 6016 1 7 . 1 1 569 569 PHE N N 569 124.363 124.363 120.060 4.303 19213 6017 1 7 . 1 1 569 569 PHE HA H 569 4.303 4.303 4.145 0.158 19213 6018 1 7 . 1 1 569 569 PHE C C 569 177.052 177.052 178.023 -0.971 19213 6019 1 7 . 1 1 569 569 PHE CA C 569 61.230 61.230 61.504 -0.274 19213 6020 1 7 . 1 1 569 569 PHE CB C 569 40.614 40.614 38.527 2.087 19213 6021 1 7 . 1 1 569 569 PHE H H 569 8.962 8.962 8.058 0.904 19213 6022 1 7 . 1 1 570 570 SER N N 570 113.474 113.474 115.117 -1.643 19213 6023 1 7 . 1 1 570 570 SER HA H 570 4.353 4.353 4.143 0.210 19213 6024 1 7 . 1 1 570 570 SER C C 570 177.332 177.332 176.797 0.535 19213 6025 1 7 . 1 1 570 570 SER CA C 570 61.727 61.727 62.161 -0.434 19213 6026 1 7 . 1 1 570 570 SER CB C 570 62.752 62.752 62.751 0.001 19213 6027 1 7 . 1 1 570 570 SER H H 570 8.880 8.880 8.346 0.534 19213 6028 1 7 . 1 1 571 571 GLU N N 571 122.935 122.935 122.375 0.560 19213 6029 1 7 . 1 1 571 571 GLU HA H 571 4.151 4.151 4.064 0.087 19213 6030 1 7 . 1 1 571 571 GLU C C 571 178.900 178.900 179.696 -0.796 19213 6031 1 7 . 1 1 571 571 GLU CA C 571 59.404 59.404 59.163 0.242 19213 6032 1 7 . 1 1 571 571 GLU CB C 571 29.340 29.340 29.727 -0.387 19213 6033 1 7 . 1 1 571 571 GLU H H 571 8.251 8.251 7.738 0.513 19213 6034 1 7 . 1 1 572 572 LEU N N 572 123.239 123.239 121.296 1.943 19213 6035 1 7 . 1 1 572 572 LEU HA H 572 4.040 4.040 4.037 0.003 19213 6036 1 7 . 1 1 572 572 LEU C C 572 178.222 178.222 178.519 -0.297 19213 6037 1 7 . 1 1 572 572 LEU CA C 572 58.316 58.316 58.110 0.206 19213 6038 1 7 . 1 1 572 572 LEU CB C 572 41.446 41.446 41.918 -0.472 19213 6039 1 7 . 1 1 572 572 LEU H H 572 7.811 7.811 8.460 -0.649 19213 6040 1 7 . 1 1 573 573 ALA N N 573 120.107 120.107 120.060 0.047 19213 6041 1 7 . 1 1 573 573 ALA HA H 573 3.704 3.704 4.082 -0.378 19213 6042 1 7 . 1 1 573 573 ALA C C 573 180.552 180.552 179.714 0.838 19213 6043 1 7 . 1 1 573 573 ALA CA C 573 55.596 55.596 55.483 0.114 19213 6044 1 7 . 1 1 573 573 ALA CB C 573 19.404 19.404 18.356 1.048 19213 6045 1 7 . 1 1 573 573 ALA H H 573 7.636 7.636 8.776 -1.140 19213 6046 1 7 . 1 1 574 574 SER N N 574 116.333 116.333 113.616 2.717 19213 6047 1 7 . 1 1 574 574 SER HA H 574 4.415 4.415 4.272 0.143 19213 6048 1 7 . 1 1 574 574 SER C C 574 177.418 177.418 176.493 0.925 19213 6049 1 7 . 1 1 574 574 SER CA C 574 61.750 61.750 61.208 0.542 19213 6050 1 7 . 1 1 574 574 SER CB C 574 62.688 62.688 62.178 0.509 19213 6051 1 7 . 1 1 574 574 SER H H 574 8.675 8.675 8.675 -0.000 19213 6052 1 7 . 1 1 575 575 THR N N 575 120.659 120.659 119.029 1.630 19213 6053 1 7 . 1 1 575 575 THR HA H 575 4.001 4.001 4.024 -0.023 19213 6054 1 7 . 1 1 575 575 THR C C 575 177.033 177.033 176.721 0.312 19213 6055 1 7 . 1 1 575 575 THR CA C 575 66.835 66.835 67.120 -0.285 19213 6056 1 7 . 1 1 575 575 THR CB C 575 68.384 68.384 68.190 0.194 19213 6057 1 7 . 1 1 575 575 THR H H 575 8.870 8.870 7.753 1.117 19213 6058 1 7 . 1 1 576 576 GLY N N 576 108.168 108.168 108.997 -0.829 19213 6059 1 7 . 1 1 576 576 GLY C C 576 174.221 174.221 175.443 -1.222 19213 6060 1 7 . 1 1 576 576 GLY CA C 576 47.808 47.808 46.991 0.817 19213 6061 1 7 . 1 1 576 576 GLY H H 576 8.687 8.687 7.725 0.962 19213 6062 1 7 . 1 1 577 577 SER N N 577 118.111 118.111 116.905 1.206 19213 6063 1 7 . 1 1 577 577 SER HA H 577 3.889 3.889 3.807 0.082 19213 6064 1 7 . 1 1 577 577 SER C C 577 174.830 174.830 176.657 -1.827 19213 6065 1 7 . 1 1 577 577 SER CA C 577 63.606 63.606 61.501 2.105 19213 6066 1 7 . 1 1 577 577 SER CB C 577 62.564 62.564 62.928 -0.364 19213 6067 1 7 . 1 1 577 577 SER H H 577 8.314 8.314 7.605 0.709 19213 6068 1 7 . 1 1 578 578 LEU N N 578 122.532 122.532 120.426 2.106 19213 6069 1 7 . 1 1 578 578 LEU HA H 578 3.785 3.785 4.243 -0.458 19213 6070 1 7 . 1 1 578 578 LEU C C 578 179.351 179.351 179.216 0.135 19213 6071 1 7 . 1 1 578 578 LEU CA C 578 58.109 58.109 57.274 0.835 19213 6072 1 7 . 1 1 578 578 LEU CB C 578 41.837 41.837 41.347 0.490 19213 6073 1 7 . 1 1 578 578 LEU H H 578 7.841 7.841 7.376 0.465 19213 6074 1 7 . 1 1 579 579 VAL N N 579 122.455 122.455 118.628 3.827 19213 6075 1 7 . 1 1 579 579 VAL CA C 579 59.949 59.949 66.056 -6.107 19213 6076 1 7 . 1 1 579 579 VAL CB C 579 31.167 31.167 31.101 0.066 19213 6077 1 7 . 1 1 579 579 VAL H H 579 8.789 8.789 7.447 1.342 19213 6078 1 7 . 1 1 582 582 ARG HA H 582 3.694 3.694 4.134 -0.440 19213 6079 1 7 . 1 1 582 582 ARG C C 582 170.822 170.822 178.330 -7.508 19213 6080 1 7 . 1 1 582 582 ARG CA C 582 58.211 58.211 58.849 -0.638 19213 6081 1 7 . 1 1 582 582 ARG CB C 582 30.031 30.031 30.254 -0.223 19213 6082 1 7 . 1 1 583 583 LEU N N 583 118.579 118.579 118.488 0.091 19213 6083 1 7 . 1 1 583 583 LEU CA C 583 58.995 58.995 57.338 1.657 19213 6084 1 7 . 1 1 583 583 LEU CB C 583 42.668 42.668 41.791 0.877 19213 6085 1 7 . 1 1 583 583 LEU H H 583 7.100 7.100 7.370 -0.270 19213 6086 1 7 . 1 1 585 585 PHE C C 585 176.850 176.850 175.089 1.761 19213 6087 1 7 . 1 1 585 585 PHE CA C 585 54.882 54.882 57.827 -2.945 19213 6088 1 7 . 1 1 585 585 PHE CB C 585 41.019 41.019 40.564 0.455 19213 6089 1 7 . 1 1 586 586 LEU N N 586 122.944 122.944 120.690 2.254 19213 6090 1 7 . 1 1 586 586 LEU CA C 586 55.891 55.891 55.098 0.793 19213 6091 1 7 . 1 1 586 586 LEU CB C 586 42.021 42.021 41.276 0.745 19213 6092 1 7 . 1 1 586 586 LEU H H 586 8.147 8.147 6.959 1.188 19213 6093 1 7 . 1 1 587 587 GLU HA H 587 4.213 4.213 3.977 0.236 19213 6094 1 7 . 1 1 587 587 GLU C C 587 176.917 176.917 177.047 -0.130 19213 6095 1 7 . 1 1 587 587 GLU CA C 587 57.437 57.437 58.039 -0.602 19213 6096 1 7 . 1 1 587 587 GLU CB C 587 30.047 30.047 29.779 0.268 19213 6097 1 7 . 1 1 588 588 GLN N N 588 120.604 120.604 115.335 5.269 19213 6098 1 7 . 1 1 588 588 GLN CA C 588 57.300 57.300 55.794 1.506 19213 6099 1 7 . 1 1 588 588 GLN CB C 588 30.196 30.196 28.434 1.762 19213 6100 1 7 . 1 1 588 588 GLN H H 588 8.402 8.402 7.729 0.673 19213 6101 1 7 . 1 1 589 589 THR HA H 589 4.167 4.167 4.130 0.037 19213 6102 1 7 . 1 1 589 589 THR C C 589 174.851 174.851 175.647 -0.796 19213 6103 1 7 . 1 1 589 589 THR CA C 589 62.959 62.959 63.809 -0.850 19213 6104 1 7 . 1 1 589 589 THR CB C 589 69.693 69.693 68.710 0.983 19213 6105 1 7 . 1 1 590 590 ILE N N 590 123.158 123.158 118.602 4.556 19213 6106 1 7 . 1 1 590 590 ILE CA C 590 61.524 61.524 61.453 0.070 19213 6107 1 7 . 1 1 590 590 ILE CB C 590 38.402 38.402 35.623 2.779 19213 6108 1 7 . 1 1 590 590 ILE H H 590 8.028 8.028 7.869 0.159 19213 6109 1 7 . 1 1 591 591 ALA HA H 591 4.180 4.180 4.152 0.028 19213 6110 1 7 . 1 1 591 591 ALA C C 591 178.457 178.457 179.011 -0.554 19213 6111 1 7 . 1 1 591 591 ALA CA C 591 53.569 53.569 54.458 -0.888 19213 6112 1 7 . 1 1 591 591 ALA CB C 591 18.733 18.733 19.303 -0.570 19213 6113 1 7 . 1 1 592 592 SER N N 592 113.507 113.507 113.589 -0.082 19213 6114 1 7 . 1 1 592 592 SER HA H 592 4.290 4.290 4.219 0.071 19213 6115 1 7 . 1 1 592 592 SER C C 592 174.913 174.913 175.008 -0.095 19213 6116 1 7 . 1 1 592 592 SER CA C 592 58.992 58.992 60.501 -1.509 19213 6117 1 7 . 1 1 592 592 SER CB C 592 63.550 63.550 63.438 0.112 19213 6118 1 7 . 1 1 592 592 SER H H 592 7.946 7.946 8.551 -0.605 19213 6119 1 8 . 1 1 430 430 ALA N N 430 132.375 132.375 124.239 8.136 19213 6120 1 8 . 1 1 430 430 ALA CA C 430 51.092 51.092 51.829 -0.737 19213 6121 1 8 . 1 1 430 430 ALA CB C 430 21.474 21.474 20.318 1.156 19213 6122 1 8 . 1 1 430 430 ALA H H 430 8.772 8.772 8.113 0.659 19213 6123 1 8 . 1 1 431 431 ALA N N 431 117.710 117.710 123.721 -6.011 19213 6124 1 8 . 1 1 431 431 ALA HA H 431 4.346 4.346 4.304 0.042 19213 6125 1 8 . 1 1 431 431 ALA C C 431 177.537 177.537 177.586 -0.049 19213 6126 1 8 . 1 1 431 431 ALA CA C 431 52.341 52.341 53.062 -0.721 19213 6127 1 8 . 1 1 431 431 ALA CB C 431 19.209 19.209 19.118 0.091 19213 6128 1 8 . 1 1 431 431 ALA H H 431 8.180 8.180 8.303 -0.123 19213 6129 1 8 . 1 1 432 432 VAL N N 432 120.378 120.378 120.533 -0.155 19213 6130 1 8 . 1 1 432 432 VAL HA H 432 4.045 4.045 4.023 0.022 19213 6131 1 8 . 1 1 432 432 VAL C C 432 175.692 175.692 175.456 0.236 19213 6132 1 8 . 1 1 432 432 VAL CA C 432 62.172 62.172 62.742 -0.570 19213 6133 1 8 . 1 1 432 432 VAL CB C 432 33.029 33.029 31.909 1.120 19213 6134 1 8 . 1 1 432 432 VAL H H 432 8.191 8.191 7.686 0.505 19213 6135 1 8 . 1 1 433 433 GLN N N 433 124.398 124.398 124.551 -0.153 19213 6136 1 8 . 1 1 433 433 GLN CA C 433 54.855 54.855 55.220 -0.365 19213 6137 1 8 . 1 1 433 433 GLN CB C 433 29.530 29.530 29.133 0.397 19213 6138 1 8 . 1 1 433 433 GLN H H 433 8.525 8.525 8.410 0.115 19213 6139 1 8 . 1 1 435 435 SER HA H 435 4.074 4.074 4.140 -0.066 19213 6140 1 8 . 1 1 435 435 SER C C 435 178.865 178.865 175.705 3.160 19213 6141 1 8 . 1 1 435 435 SER CA C 435 60.402 60.402 60.655 -0.253 19213 6142 1 8 . 1 1 435 435 SER CB C 435 62.858 62.858 63.329 -0.471 19213 6143 1 8 . 1 1 436 436 GLU N N 436 119.935 119.935 118.796 1.139 19213 6144 1 8 . 1 1 436 436 GLU HA H 436 4.309 4.309 4.177 0.132 19213 6145 1 8 . 1 1 436 436 GLU C C 436 176.654 176.654 177.219 -0.565 19213 6146 1 8 . 1 1 436 436 GLU CA C 436 56.095 56.095 57.107 -1.012 19213 6147 1 8 . 1 1 436 436 GLU CB C 436 30.278 30.278 30.028 0.250 19213 6148 1 8 . 1 1 436 436 GLU H H 436 7.847 7.847 7.648 0.199 19213 6149 1 8 . 1 1 437 437 LEU N N 437 120.616 120.616 121.683 -1.067 19213 6150 1 8 . 1 1 437 437 LEU CA C 437 55.492 55.492 56.471 -0.980 19213 6151 1 8 . 1 1 437 437 LEU CB C 437 43.512 43.512 41.455 2.057 19213 6152 1 8 . 1 1 437 437 LEU H H 437 7.349 7.349 7.338 0.011 19213 6153 1 8 . 1 1 440 440 ARG HA H 440 3.274 3.274 3.890 -0.616 19213 6154 1 8 . 1 1 440 440 ARG C C 440 175.983 175.983 178.187 -2.204 19213 6155 1 8 . 1 1 440 440 ARG CA C 440 60.018 60.018 59.052 0.966 19213 6156 1 8 . 1 1 440 440 ARG CB C 440 30.268 30.268 30.269 -0.001 19213 6157 1 8 . 1 1 441 441 GLN N N 441 117.801 117.801 118.501 -0.700 19213 6158 1 8 . 1 1 441 441 GLN HA H 441 3.804 3.804 4.487 -0.683 19213 6159 1 8 . 1 1 441 441 GLN C C 441 178.030 178.030 177.713 0.317 19213 6160 1 8 . 1 1 441 441 GLN CA C 441 58.764 58.764 58.533 0.230 19213 6161 1 8 . 1 1 441 441 GLN CB C 441 27.434 27.434 28.217 -0.783 19213 6162 1 8 . 1 1 441 441 GLN H H 441 8.079 8.079 8.665 -0.586 19213 6163 1 8 . 1 1 442 442 ALA N N 442 120.194 120.194 122.481 -2.287 19213 6164 1 8 . 1 1 442 442 ALA HA H 442 4.123 4.123 4.128 -0.005 19213 6165 1 8 . 1 1 442 442 ALA C C 442 181.577 181.577 179.422 2.155 19213 6166 1 8 . 1 1 442 442 ALA CA C 442 54.940 54.940 55.042 -0.102 19213 6167 1 8 . 1 1 442 442 ALA CB C 442 18.705 18.705 18.090 0.615 19213 6168 1 8 . 1 1 442 442 ALA H H 442 7.914 7.914 7.540 0.374 19213 6169 1 8 . 1 1 443 443 ILE N N 443 120.712 120.712 115.661 5.051 19213 6170 1 8 . 1 1 443 443 ILE HA H 443 3.445 3.445 3.581 -0.136 19213 6171 1 8 . 1 1 443 443 ILE C C 443 177.663 177.663 177.678 -0.015 19213 6172 1 8 . 1 1 443 443 ILE CA C 443 65.907 65.907 64.197 1.710 19213 6173 1 8 . 1 1 443 443 ILE CB C 443 37.169 37.169 36.866 0.303 19213 6174 1 8 . 1 1 443 443 ILE H H 443 7.663 7.663 7.246 0.417 19213 6175 1 8 . 1 1 444 444 PHE N N 444 119.033 119.033 119.053 -0.020 19213 6176 1 8 . 1 1 444 444 PHE HA H 444 4.311 4.311 4.182 0.129 19213 6177 1 8 . 1 1 444 444 PHE C C 444 178.273 178.273 177.857 0.416 19213 6178 1 8 . 1 1 444 444 PHE CA C 444 58.956 58.956 61.770 -2.814 19213 6179 1 8 . 1 1 444 444 PHE CB C 444 38.154 38.154 37.992 0.162 19213 6180 1 8 . 1 1 444 444 PHE H H 444 8.077 8.077 7.458 0.619 19213 6181 1 8 . 1 1 445 445 GLU N N 445 115.469 115.469 119.216 -3.747 19213 6182 1 8 . 1 1 445 445 GLU HA H 445 4.399 4.399 4.022 0.377 19213 6183 1 8 . 1 1 445 445 GLU C C 445 179.822 179.822 179.328 0.494 19213 6184 1 8 . 1 1 445 445 GLU CA C 445 58.472 58.472 59.792 -1.320 19213 6185 1 8 . 1 1 445 445 GLU CB C 445 28.797 28.797 28.804 -0.007 19213 6186 1 8 . 1 1 445 445 GLU H H 445 8.746 8.746 8.144 0.602 19213 6187 1 8 . 1 1 446 446 THR N N 446 117.987 117.987 116.127 1.860 19213 6188 1 8 . 1 1 446 446 THR HA H 446 4.067 4.067 4.083 -0.016 19213 6189 1 8 . 1 1 446 446 THR C C 446 175.802 175.802 176.829 -1.027 19213 6190 1 8 . 1 1 446 446 THR CA C 446 66.959 66.959 66.857 0.102 19213 6191 1 8 . 1 1 446 446 THR CB C 446 68.289 68.289 68.412 -0.123 19213 6192 1 8 . 1 1 446 446 THR H H 446 8.139 8.139 7.736 0.403 19213 6193 1 8 . 1 1 447 447 LEU N N 447 122.061 122.061 121.432 0.629 19213 6194 1 8 . 1 1 447 447 LEU HA H 447 3.874 3.874 4.102 -0.228 19213 6195 1 8 . 1 1 447 447 LEU C C 447 179.377 179.377 179.035 0.342 19213 6196 1 8 . 1 1 447 447 LEU CA C 447 58.858 58.858 57.955 0.903 19213 6197 1 8 . 1 1 447 447 LEU CB C 447 42.709 42.709 41.374 1.335 19213 6198 1 8 . 1 1 447 447 LEU H H 447 8.608 8.608 7.410 1.198 19213 6199 1 8 . 1 1 448 448 VAL N N 448 108.293 108.293 118.539 -10.246 19213 6200 1 8 . 1 1 448 448 VAL HA H 448 3.973 3.973 3.641 0.332 19213 6201 1 8 . 1 1 448 448 VAL C C 448 177.414 177.414 178.052 -0.638 19213 6202 1 8 . 1 1 448 448 VAL CA C 448 64.624 64.624 66.343 -1.719 19213 6203 1 8 . 1 1 448 448 VAL CB C 448 29.895 29.895 31.134 -1.239 19213 6204 1 8 . 1 1 448 448 VAL H H 448 7.783 7.783 8.119 -0.336 19213 6205 1 8 . 1 1 449 449 ALA N N 449 124.901 124.901 122.629 2.272 19213 6206 1 8 . 1 1 449 449 ALA HA H 449 4.291 4.291 4.031 0.260 19213 6207 1 8 . 1 1 449 449 ALA C C 449 181.177 181.177 179.706 1.471 19213 6208 1 8 . 1 1 449 449 ALA CA C 449 55.144 55.144 55.608 -0.463 19213 6209 1 8 . 1 1 449 449 ALA CB C 449 18.558 18.558 18.320 0.238 19213 6210 1 8 . 1 1 449 449 ALA H H 449 7.477 7.477 8.837 -1.360 19213 6211 1 8 . 1 1 450 450 LYS N N 450 118.438 118.438 118.552 -0.114 19213 6212 1 8 . 1 1 450 450 LYS HA H 450 4.194 4.194 4.156 0.038 19213 6213 1 8 . 1 1 450 450 LYS C C 450 180.027 180.027 179.550 0.477 19213 6214 1 8 . 1 1 450 450 LYS CA C 450 58.274 58.274 58.686 -0.412 19213 6215 1 8 . 1 1 450 450 LYS CB C 450 31.673 31.673 32.334 -0.661 19213 6216 1 8 . 1 1 450 450 LYS H H 450 8.835 8.835 8.141 0.694 19213 6217 1 8 . 1 1 451 451 GLY N N 451 108.035 108.035 107.781 0.254 19213 6218 1 8 . 1 1 451 451 GLY C C 451 173.706 173.706 176.308 -2.602 19213 6219 1 8 . 1 1 451 451 GLY CA C 451 47.992 47.992 47.362 0.630 19213 6220 1 8 . 1 1 451 451 GLY H H 451 8.765 8.765 8.652 0.113 19213 6221 1 8 . 1 1 452 452 ARG N N 452 122.460 122.460 120.117 2.343 19213 6222 1 8 . 1 1 452 452 ARG HA H 452 4.080 4.080 4.203 -0.123 19213 6223 1 8 . 1 1 452 452 ARG C C 452 178.863 178.863 177.922 0.941 19213 6224 1 8 . 1 1 452 452 ARG CA C 452 60.572 60.572 59.008 1.564 19213 6225 1 8 . 1 1 452 452 ARG CB C 452 30.407 30.407 29.881 0.526 19213 6226 1 8 . 1 1 452 452 ARG H H 452 8.272 8.272 7.991 0.281 19213 6227 1 8 . 1 1 453 453 GLU N N 453 119.784 119.784 119.620 0.164 19213 6228 1 8 . 1 1 453 453 GLU HA H 453 4.096 4.096 4.157 -0.061 19213 6229 1 8 . 1 1 453 453 GLU C C 453 178.778 178.778 178.734 0.044 19213 6230 1 8 . 1 1 453 453 GLU CA C 453 59.023 59.023 58.769 0.254 19213 6231 1 8 . 1 1 453 453 GLU CB C 453 30.241 30.241 29.854 0.387 19213 6232 1 8 . 1 1 453 453 GLU H H 453 7.894 7.894 7.740 0.154 19213 6233 1 8 . 1 1 454 454 LEU N N 454 119.313 119.313 119.187 0.126 19213 6234 1 8 . 1 1 454 454 LEU HA H 454 4.171 4.171 4.053 0.118 19213 6235 1 8 . 1 1 454 454 LEU C C 454 178.457 178.457 178.681 -0.224 19213 6236 1 8 . 1 1 454 454 LEU CA C 454 57.869 57.869 57.556 0.313 19213 6237 1 8 . 1 1 454 454 LEU CB C 454 42.922 42.922 42.353 0.569 19213 6238 1 8 . 1 1 454 454 LEU H H 454 8.328 8.328 8.444 -0.116 19213 6239 1 8 . 1 1 455 455 LEU N N 455 113.192 113.192 114.851 -1.659 19213 6240 1 8 . 1 1 455 455 LEU HA H 455 4.380 4.380 4.344 0.036 19213 6241 1 8 . 1 1 455 455 LEU C C 455 176.795 176.795 176.298 0.497 19213 6242 1 8 . 1 1 455 455 LEU CA C 455 54.643 54.643 54.345 0.298 19213 6243 1 8 . 1 1 455 455 LEU CB C 455 43.897 43.897 42.378 1.519 19213 6244 1 8 . 1 1 455 455 LEU H H 455 7.424 7.424 7.389 0.035 19213 6245 1 8 . 1 1 456 456 ALA N N 456 124.175 124.175 119.804 4.371 19213 6246 1 8 . 1 1 456 456 ALA HA H 456 4.244 4.244 4.160 0.084 19213 6247 1 8 . 1 1 456 456 ALA C C 456 177.051 177.051 176.834 0.217 19213 6248 1 8 . 1 1 456 456 ALA CA C 456 52.975 52.975 52.444 0.531 19213 6249 1 8 . 1 1 456 456 ALA CB C 456 16.514 16.514 16.265 0.249 19213 6250 1 8 . 1 1 456 456 ALA H H 456 8.573 8.573 7.209 1.364 19213 6251 1 8 . 1 1 457 457 CYS N N 457 111.282 111.282 118.546 -7.264 19213 6252 1 8 . 1 1 457 457 CYS HA H 457 5.592 5.592 4.494 1.098 19213 6253 1 8 . 1 1 457 457 CYS C C 457 172.935 172.935 175.124 -2.189 19213 6254 1 8 . 1 1 457 457 CYS CA C 457 54.876 54.876 59.158 -4.282 19213 6255 1 8 . 1 1 457 457 CYS CB C 457 29.887 29.887 30.106 -0.219 19213 6256 1 8 . 1 1 457 457 CYS H H 457 7.000 7.000 7.821 -0.821 19213 6257 1 8 . 1 1 458 458 ASP N N 458 117.373 117.373 120.530 -3.157 19213 6258 1 8 . 1 1 458 458 ASP HA H 458 4.834 4.834 4.582 0.252 19213 6259 1 8 . 1 1 458 458 ASP C C 458 175.463 175.463 175.742 -0.279 19213 6260 1 8 . 1 1 458 458 ASP CA C 458 57.972 57.972 56.562 1.410 19213 6261 1 8 . 1 1 458 458 ASP CB C 458 42.753 42.753 41.286 1.467 19213 6262 1 8 . 1 1 458 458 ASP H H 458 7.265 7.265 8.448 -1.183 19213 6263 1 8 . 1 1 459 459 ARG N N 459 117.328 117.328 118.022 -0.694 19213 6264 1 8 . 1 1 459 459 ARG HA H 459 5.511 5.511 4.934 0.577 19213 6265 1 8 . 1 1 459 459 ARG C C 459 174.652 174.652 173.693 0.959 19213 6266 1 8 . 1 1 459 459 ARG CA C 459 55.593 55.593 54.948 0.645 19213 6267 1 8 . 1 1 459 459 ARG CB C 459 35.294 35.294 33.630 1.664 19213 6268 1 8 . 1 1 459 459 ARG H H 459 8.099 8.099 7.488 0.611 19213 6269 1 8 . 1 1 460 460 VAL N N 460 127.029 127.029 119.655 7.374 19213 6270 1 8 . 1 1 460 460 VAL HA H 460 5.182 5.182 4.474 0.708 19213 6271 1 8 . 1 1 460 460 VAL C C 460 174.538 174.538 172.891 1.647 19213 6272 1 8 . 1 1 460 460 VAL CA C 460 61.684 61.684 60.976 0.708 19213 6273 1 8 . 1 1 460 460 VAL CB C 460 35.157 35.157 34.766 0.391 19213 6274 1 8 . 1 1 460 460 VAL H H 460 9.215 9.215 8.358 0.857 19213 6275 1 8 . 1 1 461 461 ILE N N 461 118.191 118.191 124.897 -6.706 19213 6276 1 8 . 1 1 461 461 ILE HA H 461 5.269 5.269 4.434 0.835 19213 6277 1 8 . 1 1 461 461 ILE C C 461 174.436 174.436 174.425 0.011 19213 6278 1 8 . 1 1 461 461 ILE CA C 461 58.897 58.897 60.267 -1.371 19213 6279 1 8 . 1 1 461 461 ILE CB C 461 41.973 41.973 40.725 1.248 19213 6280 1 8 . 1 1 461 461 ILE H H 461 9.051 9.051 8.294 0.757 19213 6281 1 8 . 1 1 462 462 VAL N N 462 119.036 119.036 124.242 -5.206 19213 6282 1 8 . 1 1 462 462 VAL HA H 462 4.218 4.218 4.403 -0.185 19213 6283 1 8 . 1 1 462 462 VAL C C 462 173.040 173.040 174.101 -1.061 19213 6284 1 8 . 1 1 462 462 VAL CA C 462 62.382 62.382 60.788 1.594 19213 6285 1 8 . 1 1 462 462 VAL CB C 462 33.016 33.016 34.004 -0.988 19213 6286 1 8 . 1 1 462 462 VAL H H 462 7.266 7.266 8.040 -0.774 19213 6287 1 8 . 1 1 463 463 TYR N N 463 131.813 131.813 122.973 8.840 19213 6288 1 8 . 1 1 463 463 TYR HA H 463 4.634 4.634 5.082 -0.448 19213 6289 1 8 . 1 1 463 463 TYR C C 463 172.062 172.062 172.974 -0.912 19213 6290 1 8 . 1 1 463 463 TYR CA C 463 54.971 54.971 54.968 0.003 19213 6291 1 8 . 1 1 463 463 TYR CB C 463 40.572 40.572 41.131 -0.559 19213 6292 1 8 . 1 1 463 463 TYR H H 463 8.796 8.796 7.385 1.411 19213 6293 1 8 . 1 1 464 464 ALA N N 464 127.309 127.309 122.799 4.510 19213 6294 1 8 . 1 1 464 464 ALA HA H 464 3.810 3.810 4.008 -0.198 19213 6295 1 8 . 1 1 464 464 ALA C C 464 176.605 176.605 175.759 0.846 19213 6296 1 8 . 1 1 464 464 ALA CA C 464 50.931 50.931 50.442 0.489 19213 6297 1 8 . 1 1 464 464 ALA CB C 464 21.945 21.945 19.921 2.024 19213 6298 1 8 . 1 1 464 464 ALA H H 464 8.423 8.423 8.132 0.291 19213 6299 1 8 . 1 1 465 465 PHE N N 465 119.567 119.567 120.593 -1.026 19213 6300 1 8 . 1 1 465 465 PHE HA H 465 4.635 4.635 4.453 0.182 19213 6301 1 8 . 1 1 465 465 PHE C C 465 176.576 176.576 175.530 1.046 19213 6302 1 8 . 1 1 465 465 PHE CA C 465 57.430 57.430 59.754 -2.324 19213 6303 1 8 . 1 1 465 465 PHE CB C 465 41.434 41.434 40.172 1.262 19213 6304 1 8 . 1 1 465 465 PHE H H 465 7.687 7.687 8.708 -1.021 19213 6305 1 8 . 1 1 466 466 ASP N N 466 120.914 120.914 122.353 -1.439 19213 6306 1 8 . 1 1 466 466 ASP HA H 466 4.699 4.699 4.884 -0.185 19213 6307 1 8 . 1 1 466 466 ASP C C 466 178.481 178.481 176.835 1.646 19213 6308 1 8 . 1 1 466 466 ASP CA C 466 51.837 51.837 53.215 -1.378 19213 6309 1 8 . 1 1 466 466 ASP CB C 466 40.950 40.950 42.698 -1.748 19213 6310 1 8 . 1 1 466 466 ASP H H 466 7.829 7.829 8.054 -0.225 19213 6311 1 8 . 1 1 467 467 ASP N N 467 115.889 115.889 117.375 -1.486 19213 6312 1 8 . 1 1 467 467 ASP HA H 467 4.018 4.018 4.599 -0.581 19213 6313 1 8 . 1 1 467 467 ASP C C 467 176.022 176.022 176.118 -0.096 19213 6314 1 8 . 1 1 467 467 ASP CA C 467 56.052 56.052 55.792 0.260 19213 6315 1 8 . 1 1 467 467 ASP CB C 467 40.144 40.144 40.588 -0.444 19213 6316 1 8 . 1 1 467 467 ASP H H 467 8.138 8.138 8.766 -0.628 19213 6317 1 8 . 1 1 468 468 ASN N N 468 116.903 116.903 117.935 -1.032 19213 6318 1 8 . 1 1 468 468 ASN HA H 468 4.954 4.954 4.830 0.124 19213 6319 1 8 . 1 1 468 468 ASN C C 468 174.155 174.155 174.731 -0.576 19213 6320 1 8 . 1 1 468 468 ASN CA C 468 52.052 52.052 52.398 -0.346 19213 6321 1 8 . 1 1 468 468 ASN CB C 468 39.733 39.733 38.010 1.723 19213 6322 1 8 . 1 1 468 468 ASN H H 468 8.076 8.076 8.195 -0.119 19213 6323 1 8 . 1 1 469 469 TYR N N 469 112.788 112.788 113.890 -1.102 19213 6324 1 8 . 1 1 469 469 TYR HA H 469 3.249 3.249 4.197 -0.948 19213 6325 1 8 . 1 1 469 469 TYR C C 469 175.377 175.377 174.541 0.836 19213 6326 1 8 . 1 1 469 469 TYR CA C 469 61.891 61.891 58.935 2.956 19213 6327 1 8 . 1 1 469 469 TYR CB C 469 34.352 34.352 36.219 -1.867 19213 6328 1 8 . 1 1 469 469 TYR H H 469 7.785 7.785 7.596 0.189 19213 6329 1 8 . 1 1 470 470 VAL N N 470 122.718 122.718 118.599 4.119 19213 6330 1 8 . 1 1 470 470 VAL HA H 470 4.010 4.010 4.224 -0.214 19213 6331 1 8 . 1 1 470 470 VAL CA C 470 63.699 63.699 62.077 1.622 19213 6332 1 8 . 1 1 470 470 VAL CB C 470 30.721 30.721 33.346 -2.625 19213 6333 1 8 . 1 1 470 470 VAL H H 470 8.666 8.666 7.399 1.267 19213 6334 1 8 . 1 1 471 471 GLY C C 471 170.959 170.959 172.870 -1.911 19213 6335 1 8 . 1 1 471 471 GLY CA C 471 43.674 43.674 43.842 -0.168 19213 6336 1 8 . 1 1 472 472 THR N N 472 118.003 118.003 116.241 1.762 19213 6337 1 8 . 1 1 472 472 THR HA H 472 4.931 4.931 4.414 0.517 19213 6338 1 8 . 1 1 472 472 THR C C 472 174.282 174.282 173.810 0.472 19213 6339 1 8 . 1 1 472 472 THR CA C 472 61.142 61.142 61.637 -0.495 19213 6340 1 8 . 1 1 472 472 THR CB C 472 70.941 70.941 70.974 -0.033 19213 6341 1 8 . 1 1 472 472 THR H H 472 8.150 8.150 8.061 0.089 19213 6342 1 8 . 1 1 473 473 VAL N N 473 126.802 126.802 129.633 -2.831 19213 6343 1 8 . 1 1 473 473 VAL HA H 473 4.552 4.552 4.146 0.406 19213 6344 1 8 . 1 1 473 473 VAL C C 473 175.472 175.472 175.673 -0.201 19213 6345 1 8 . 1 1 473 473 VAL CA C 473 62.066 62.066 62.651 -0.585 19213 6346 1 8 . 1 1 473 473 VAL CB C 473 29.572 29.572 29.701 -0.129 19213 6347 1 8 . 1 1 473 473 VAL H H 473 8.740 8.740 9.262 -0.522 19213 6348 1 8 . 1 1 474 474 VAL N N 474 122.729 122.729 128.503 -5.774 19213 6349 1 8 . 1 1 474 474 VAL HA H 474 4.394 4.394 3.960 0.434 19213 6350 1 8 . 1 1 474 474 VAL C C 474 175.653 175.653 173.731 1.922 19213 6351 1 8 . 1 1 474 474 VAL CA C 474 62.168 62.168 61.781 0.387 19213 6352 1 8 . 1 1 474 474 VAL CB C 474 32.041 32.041 32.807 -0.766 19213 6353 1 8 . 1 1 474 474 VAL H H 474 7.753 7.753 7.967 -0.214 19213 6354 1 8 . 1 1 475 475 ALA N N 475 117.768 117.768 118.027 -0.259 19213 6355 1 8 . 1 1 475 475 ALA HA H 475 4.493 4.493 4.635 -0.142 19213 6356 1 8 . 1 1 475 475 ALA C C 475 174.317 174.317 174.342 -0.025 19213 6357 1 8 . 1 1 475 475 ALA CA C 475 52.144 52.144 51.658 0.486 19213 6358 1 8 . 1 1 475 475 ALA CB C 475 23.434 23.434 21.238 2.196 19213 6359 1 8 . 1 1 475 475 ALA H H 475 7.366 7.366 7.042 0.324 19213 6360 1 8 . 1 1 476 476 GLU N N 476 122.294 122.294 122.233 0.061 19213 6361 1 8 . 1 1 476 476 GLU HA H 476 5.143 5.143 4.683 0.460 19213 6362 1 8 . 1 1 476 476 GLU C C 476 173.452 173.452 174.537 -1.085 19213 6363 1 8 . 1 1 476 476 GLU CA C 476 55.216 55.216 55.956 -0.740 19213 6364 1 8 . 1 1 476 476 GLU CB C 476 36.288 36.288 33.431 2.857 19213 6365 1 8 . 1 1 476 476 GLU H H 476 8.455 8.455 8.653 -0.198 19213 6366 1 8 . 1 1 477 477 SER N N 477 121.014 121.014 120.493 0.521 19213 6367 1 8 . 1 1 477 477 SER HA H 477 4.910 4.910 4.973 -0.063 19213 6368 1 8 . 1 1 477 477 SER C C 477 173.417 173.417 172.281 1.136 19213 6369 1 8 . 1 1 477 477 SER CA C 477 56.576 56.576 57.995 -1.419 19213 6370 1 8 . 1 1 477 477 SER CB C 477 63.836 63.836 65.615 -1.779 19213 6371 1 8 . 1 1 477 477 SER H H 477 8.867 8.867 8.414 0.453 19213 6372 1 8 . 1 1 478 478 VAL N N 478 128.791 128.791 120.270 8.521 19213 6373 1 8 . 1 1 478 478 VAL HA H 478 5.361 5.361 4.760 0.601 19213 6374 1 8 . 1 1 478 478 VAL C C 478 172.729 172.729 174.980 -2.251 19213 6375 1 8 . 1 1 478 478 VAL CA C 478 58.657 58.657 59.936 -1.279 19213 6376 1 8 . 1 1 478 478 VAL CB C 478 35.971 35.971 35.443 0.528 19213 6377 1 8 . 1 1 478 478 VAL H H 478 9.143 9.143 8.307 0.836 19213 6378 1 8 . 1 1 479 479 ALA N N 479 129.671 129.671 128.626 1.045 19213 6379 1 8 . 1 1 479 479 ALA HA H 479 4.373 4.373 4.447 -0.074 19213 6380 1 8 . 1 1 479 479 ALA C C 479 176.732 176.732 177.625 -0.893 19213 6381 1 8 . 1 1 479 479 ALA CA C 479 52.231 52.231 52.516 -0.284 19213 6382 1 8 . 1 1 479 479 ALA CB C 479 20.053 20.053 19.770 0.283 19213 6383 1 8 . 1 1 479 479 ALA H H 479 8.632 8.632 8.506 0.126 19213 6384 1 8 . 1 1 480 480 GLU N N 480 120.434 120.434 120.423 0.011 19213 6385 1 8 . 1 1 480 480 GLU HA H 480 4.028 4.028 4.090 -0.062 19213 6386 1 8 . 1 1 480 480 GLU C C 480 177.151 177.151 177.038 0.113 19213 6387 1 8 . 1 1 480 480 GLU CA C 480 58.179 58.179 57.733 0.446 19213 6388 1 8 . 1 1 480 480 GLU CB C 480 29.797 29.797 29.437 0.360 19213 6389 1 8 . 1 1 480 480 GLU H H 480 8.558 8.558 8.634 -0.076 19213 6390 1 8 . 1 1 481 481 GLY N N 481 110.914 110.914 111.293 -0.379 19213 6391 1 8 . 1 1 481 481 GLY C C 481 174.073 174.073 173.846 0.227 19213 6392 1 8 . 1 1 481 481 GLY CA C 481 44.681 44.681 44.202 0.479 19213 6393 1 8 . 1 1 481 481 GLY H H 481 8.539 8.539 8.535 0.004 19213 6394 1 8 . 1 1 482 482 TRP N N 482 119.508 119.508 121.891 -2.383 19213 6395 1 8 . 1 1 482 482 TRP HA H 482 5.290 5.290 5.003 0.287 19213 6396 1 8 . 1 1 482 482 TRP CA C 482 53.659 53.659 54.247 -0.588 19213 6397 1 8 . 1 1 482 482 TRP CB C 482 29.487 29.487 29.398 0.089 19213 6398 1 8 . 1 1 482 482 TRP H H 482 7.009 7.009 7.268 -0.259 19213 6399 1 8 . 1 1 483 483 PRO HA H 483 4.426 4.426 4.572 -0.146 19213 6400 1 8 . 1 1 483 483 PRO C C 483 175.722 175.722 175.728 -0.006 19213 6401 1 8 . 1 1 483 483 PRO CA C 483 63.259 63.259 62.608 0.651 19213 6402 1 8 . 1 1 483 483 PRO CB C 483 33.238 33.238 32.465 0.773 19213 6403 1 8 . 1 1 484 484 GLN N N 484 121.488 121.488 122.641 -1.153 19213 6404 1 8 . 1 1 484 484 GLN HA H 484 4.936 4.936 4.370 0.566 19213 6405 1 8 . 1 1 484 484 GLN C C 484 176.405 176.405 175.265 1.140 19213 6406 1 8 . 1 1 484 484 GLN CA C 484 55.688 55.688 55.720 -0.032 19213 6407 1 8 . 1 1 484 484 GLN CB C 484 29.565 29.565 30.237 -0.672 19213 6408 1 8 . 1 1 484 484 GLN H H 484 8.646 8.646 8.556 0.090 19213 6409 1 8 . 1 1 485 485 ALA N N 485 133.617 133.617 125.782 7.835 19213 6410 1 8 . 1 1 485 485 ALA HA H 485 4.340 4.340 4.677 -0.337 19213 6411 1 8 . 1 1 485 485 ALA C C 485 176.317 176.317 176.856 -0.539 19213 6412 1 8 . 1 1 485 485 ALA CA C 485 51.289 51.289 51.941 -0.652 19213 6413 1 8 . 1 1 485 485 ALA CB C 485 20.581 20.581 20.067 0.514 19213 6414 1 8 . 1 1 485 485 ALA H H 485 11.964 11.964 8.270 3.694 19213 6415 1 8 . 1 1 486 486 ARG N N 486 119.720 119.720 119.553 0.167 19213 6416 1 8 . 1 1 486 486 ARG HA H 486 3.300 3.300 3.986 -0.686 19213 6417 1 8 . 1 1 486 486 ARG C C 486 175.502 175.502 175.550 -0.048 19213 6418 1 8 . 1 1 486 486 ARG CA C 486 59.200 59.200 56.449 2.751 19213 6419 1 8 . 1 1 486 486 ARG CB C 486 30.648 30.648 28.946 1.702 19213 6420 1 8 . 1 1 486 486 ARG H H 486 8.235 8.235 8.194 0.041 19213 6421 1 8 . 1 1 487 487 ASP N N 487 119.936 119.936 119.754 0.182 19213 6422 1 8 . 1 1 487 487 ASP HA H 487 4.141 4.141 4.184 -0.043 19213 6423 1 8 . 1 1 487 487 ASP C C 487 175.557 175.557 174.428 1.129 19213 6424 1 8 . 1 1 487 487 ASP CA C 487 57.148 57.148 55.895 1.253 19213 6425 1 8 . 1 1 487 487 ASP CB C 487 39.031 39.031 40.369 -1.338 19213 6426 1 8 . 1 1 487 487 ASP H H 487 9.023 9.023 9.004 0.019 19213 6427 1 8 . 1 1 488 488 GLN N N 488 119.954 119.954 116.971 2.983 19213 6428 1 8 . 1 1 488 488 GLN HA H 488 4.147 4.147 4.550 -0.403 19213 6429 1 8 . 1 1 488 488 GLN C C 488 174.993 174.993 174.343 0.650 19213 6430 1 8 . 1 1 488 488 GLN CA C 488 57.475 57.475 54.654 2.821 19213 6431 1 8 . 1 1 488 488 GLN CB C 488 28.866 28.866 31.462 -2.596 19213 6432 1 8 . 1 1 488 488 GLN H H 488 8.200 8.200 7.657 0.543 19213 6433 1 8 . 1 1 489 489 VAL N N 489 124.202 124.202 122.035 2.167 19213 6434 1 8 . 1 1 489 489 VAL HA H 489 4.593 4.593 4.239 0.354 19213 6435 1 8 . 1 1 489 489 VAL C C 489 177.060 177.060 174.679 2.381 19213 6436 1 8 . 1 1 489 489 VAL CA C 489 61.871 61.871 60.342 1.529 19213 6437 1 8 . 1 1 489 489 VAL CB C 489 32.575 32.575 33.176 -0.601 19213 6438 1 8 . 1 1 489 489 VAL H H 489 8.379 8.379 8.455 -0.076 19213 6439 1 8 . 1 1 490 490 ILE N N 490 128.772 128.772 128.777 -0.005 19213 6440 1 8 . 1 1 490 490 ILE HA H 490 4.433 4.433 4.215 0.218 19213 6441 1 8 . 1 1 490 490 ILE C C 490 174.634 174.634 174.467 0.167 19213 6442 1 8 . 1 1 490 490 ILE CA C 490 60.464 60.464 60.417 0.047 19213 6443 1 8 . 1 1 490 490 ILE CB C 490 41.025 41.025 38.657 2.369 19213 6444 1 8 . 1 1 490 490 ILE H H 490 8.952 8.952 8.396 0.556 19213 6445 1 8 . 1 1 491 491 GLU N N 491 130.867 130.867 128.589 2.278 19213 6446 1 8 . 1 1 491 491 GLU HA H 491 4.598 4.598 4.464 0.134 19213 6447 1 8 . 1 1 491 491 GLU C C 491 174.015 174.015 175.272 -1.257 19213 6448 1 8 . 1 1 491 491 GLU CA C 491 55.930 55.930 55.265 0.665 19213 6449 1 8 . 1 1 491 491 GLU CB C 491 28.942 28.942 30.270 -1.328 19213 6450 1 8 . 1 1 491 491 GLU H H 491 9.289 9.289 8.728 0.561 19213 6451 1 8 . 1 1 492 492 ASP N N 492 130.401 130.401 122.213 8.188 19213 6452 1 8 . 1 1 492 492 ASP HA H 492 5.210 5.210 4.953 0.257 19213 6453 1 8 . 1 1 492 492 ASP CA C 492 50.160 50.160 50.944 -0.784 19213 6454 1 8 . 1 1 492 492 ASP CB C 492 43.965 43.965 40.748 3.217 19213 6455 1 8 . 1 1 492 492 ASP H H 492 9.437 9.437 8.101 1.336 19213 6456 1 8 . 1 1 493 493 PRO HA H 493 4.359 4.359 4.395 -0.036 19213 6457 1 8 . 1 1 493 493 PRO C C 493 176.079 176.079 175.922 0.157 19213 6458 1 8 . 1 1 493 493 PRO CA C 493 63.617 63.617 62.893 0.724 19213 6459 1 8 . 1 1 493 493 PRO CB C 493 33.300 33.300 29.962 3.337 19213 6460 1 8 . 1 1 494 494 CYS N N 494 117.251 117.251 118.019 -0.768 19213 6461 1 8 . 1 1 494 494 CYS HA H 494 4.147 4.147 4.532 -0.385 19213 6462 1 8 . 1 1 494 494 CYS C C 494 176.789 176.789 176.510 0.279 19213 6463 1 8 . 1 1 494 494 CYS CA C 494 58.195 58.195 60.099 -1.904 19213 6464 1 8 . 1 1 494 494 CYS CB C 494 33.343 33.343 29.051 4.292 19213 6465 1 8 . 1 1 494 494 CYS H H 494 8.806 8.806 8.106 0.700 19213 6466 1 8 . 1 1 495 495 PHE N N 495 118.785 118.785 120.650 -1.865 19213 6467 1 8 . 1 1 495 495 PHE HA H 495 4.328 4.328 4.631 -0.303 19213 6468 1 8 . 1 1 495 495 PHE C C 495 176.529 176.529 177.885 -1.356 19213 6469 1 8 . 1 1 495 495 PHE CA C 495 63.265 63.265 59.846 3.419 19213 6470 1 8 . 1 1 495 495 PHE CB C 495 37.239 37.239 37.774 -0.535 19213 6471 1 8 . 1 1 495 495 PHE H H 495 6.799 6.799 8.285 -1.486 19213 6472 1 8 . 1 1 496 496 ARG N N 496 118.755 118.755 118.479 0.276 19213 6473 1 8 . 1 1 496 496 ARG HA H 496 3.692 3.692 3.351 0.341 19213 6474 1 8 . 1 1 496 496 ARG C C 496 178.119 178.119 176.440 1.679 19213 6475 1 8 . 1 1 496 496 ARG CA C 496 58.495 58.495 57.914 0.581 19213 6476 1 8 . 1 1 496 496 ARG CB C 496 29.942 29.942 28.635 1.307 19213 6477 1 8 . 1 1 496 496 ARG H H 496 9.000 9.000 6.170 2.830 19213 6478 1 8 . 1 1 497 497 GLU N N 497 115.895 115.895 118.574 -2.679 19213 6479 1 8 . 1 1 497 497 GLU HA H 497 3.858 3.858 4.182 -0.324 19213 6480 1 8 . 1 1 497 497 GLU C C 497 177.981 177.981 177.070 0.911 19213 6481 1 8 . 1 1 497 497 GLU CA C 497 58.920 58.920 57.896 1.024 19213 6482 1 8 . 1 1 497 497 GLU CB C 497 29.841 29.841 29.887 -0.046 19213 6483 1 8 . 1 1 497 497 GLU H H 497 7.849 7.849 7.888 -0.039 19213 6484 1 8 . 1 1 498 498 HIS N N 498 111.119 111.119 116.067 -4.948 19213 6485 1 8 . 1 1 498 498 HIS HA H 498 4.710 4.710 4.633 0.077 19213 6486 1 8 . 1 1 498 498 HIS CA C 498 55.904 55.904 57.809 -1.905 19213 6487 1 8 . 1 1 498 498 HIS CB C 498 30.890 30.890 30.521 0.369 19213 6488 1 8 . 1 1 498 498 HIS H H 498 7.717 7.717 7.232 0.485 19213 6489 1 8 . 1 1 499 499 TRP HA H 499 5.476 5.476 4.677 0.799 19213 6490 1 8 . 1 1 499 499 TRP C C 499 176.398 176.398 177.513 -1.115 19213 6491 1 8 . 1 1 499 499 TRP CA C 499 58.111 58.111 59.544 -1.433 19213 6492 1 8 . 1 1 499 499 TRP CB C 499 34.294 34.294 28.965 5.329 19213 6493 1 8 . 1 1 500 500 VAL N N 500 121.907 121.907 122.332 -0.425 19213 6494 1 8 . 1 1 500 500 VAL HA H 500 3.421 3.421 3.532 -0.111 19213 6495 1 8 . 1 1 500 500 VAL C C 500 177.163 177.163 177.190 -0.027 19213 6496 1 8 . 1 1 500 500 VAL CA C 500 68.043 68.043 65.263 2.780 19213 6497 1 8 . 1 1 500 500 VAL CB C 500 31.127 31.127 31.691 -0.564 19213 6498 1 8 . 1 1 500 500 VAL H H 500 8.071 8.071 7.614 0.457 19213 6499 1 8 . 1 1 501 501 GLU N N 501 117.634 117.634 119.736 -2.102 19213 6500 1 8 . 1 1 501 501 GLU HA H 501 4.130 4.130 3.905 0.225 19213 6501 1 8 . 1 1 501 501 GLU C C 501 178.314 178.314 178.702 -0.388 19213 6502 1 8 . 1 1 501 501 GLU CA C 501 58.781 58.781 59.509 -0.728 19213 6503 1 8 . 1 1 501 501 GLU CB C 501 28.631 28.631 28.922 -0.291 19213 6504 1 8 . 1 1 501 501 GLU H H 501 8.188 8.188 8.667 -0.479 19213 6505 1 8 . 1 1 502 502 ALA N N 502 120.830 120.830 121.099 -0.269 19213 6506 1 8 . 1 1 502 502 ALA HA H 502 4.106 4.106 4.101 0.005 19213 6507 1 8 . 1 1 502 502 ALA C C 502 181.963 181.963 180.183 1.780 19213 6508 1 8 . 1 1 502 502 ALA CA C 502 54.953 54.953 54.843 0.110 19213 6509 1 8 . 1 1 502 502 ALA CB C 502 18.558 18.558 18.222 0.336 19213 6510 1 8 . 1 1 502 502 ALA H H 502 7.996 7.996 8.262 -0.266 19213 6511 1 8 . 1 1 503 503 TYR N N 503 118.238 118.238 119.257 -1.019 19213 6512 1 8 . 1 1 503 503 TYR HA H 503 4.362 4.362 4.388 -0.026 19213 6513 1 8 . 1 1 503 503 TYR C C 503 178.723 178.723 179.074 -0.351 19213 6514 1 8 . 1 1 503 503 TYR CA C 503 64.148 64.148 59.988 4.160 19213 6515 1 8 . 1 1 503 503 TYR CB C 503 39.126 39.126 37.969 1.157 19213 6516 1 8 . 1 1 503 503 TYR H H 503 8.665 8.665 8.019 0.646 19213 6517 1 8 . 1 1 504 504 ARG N N 504 121.723 121.723 117.785 3.938 19213 6518 1 8 . 1 1 504 504 ARG HA H 504 3.905 3.905 4.072 -0.167 19213 6519 1 8 . 1 1 504 504 ARG C C 504 177.714 177.714 177.782 -0.068 19213 6520 1 8 . 1 1 504 504 ARG CA C 504 59.679 59.679 58.766 0.913 19213 6521 1 8 . 1 1 504 504 ARG CB C 504 30.495 30.495 29.296 1.199 19213 6522 1 8 . 1 1 504 504 ARG H H 504 8.824 8.824 7.893 0.931 19213 6523 1 8 . 1 1 505 505 GLN N N 505 113.473 113.473 114.416 -0.943 19213 6524 1 8 . 1 1 505 505 GLN HA H 505 4.332 4.332 4.401 -0.069 19213 6525 1 8 . 1 1 505 505 GLN C C 505 176.403 176.403 176.816 -0.413 19213 6526 1 8 . 1 1 505 505 GLN CA C 505 55.387 55.387 55.065 0.322 19213 6527 1 8 . 1 1 505 505 GLN CB C 505 28.792 28.792 29.115 -0.323 19213 6528 1 8 . 1 1 505 505 GLN H H 505 7.613 7.613 7.600 0.013 19213 6529 1 8 . 1 1 506 506 GLY N N 506 106.968 106.968 107.629 -0.661 19213 6530 1 8 . 1 1 506 506 GLY C C 506 174.133 174.133 174.209 -0.076 19213 6531 1 8 . 1 1 506 506 GLY CA C 506 45.874 45.874 45.165 0.709 19213 6532 1 8 . 1 1 506 506 GLY H H 506 7.867 7.867 8.280 -0.413 19213 6533 1 8 . 1 1 507 507 ARG N N 507 123.761 123.761 120.148 3.613 19213 6534 1 8 . 1 1 507 507 ARG HA H 507 3.717 3.717 4.469 -0.752 19213 6535 1 8 . 1 1 507 507 ARG C C 507 171.000 171.000 175.526 -4.526 19213 6536 1 8 . 1 1 507 507 ARG CA C 507 58.285 58.285 55.549 2.736 19213 6537 1 8 . 1 1 507 507 ARG CB C 507 29.901 29.901 31.515 -1.613 19213 6538 1 8 . 1 1 507 507 ARG H H 507 7.858 7.858 7.737 0.121 19213 6539 1 8 . 1 1 508 508 ILE N N 508 119.641 119.641 115.146 4.495 19213 6540 1 8 . 1 1 508 508 ILE HA H 508 4.859 4.859 4.513 0.346 19213 6541 1 8 . 1 1 508 508 ILE C C 508 176.521 176.521 174.428 2.093 19213 6542 1 8 . 1 1 508 508 ILE CA C 508 59.199 59.199 58.938 0.261 19213 6543 1 8 . 1 1 508 508 ILE CB C 508 42.573 42.573 42.297 0.276 19213 6544 1 8 . 1 1 508 508 ILE H H 508 7.180 7.180 8.019 -0.839 19213 6545 1 8 . 1 1 509 509 GLN N N 509 125.871 125.871 122.258 3.613 19213 6546 1 8 . 1 1 509 509 GLN HA H 509 4.918 4.918 4.547 0.371 19213 6547 1 8 . 1 1 509 509 GLN C C 509 173.750 173.750 173.823 -0.073 19213 6548 1 8 . 1 1 509 509 GLN CA C 509 54.255 54.255 54.734 -0.479 19213 6549 1 8 . 1 1 509 509 GLN CB C 509 32.267 32.267 32.195 0.072 19213 6550 1 8 . 1 1 509 509 GLN H H 509 8.536 8.536 8.303 0.233 19213 6551 1 8 . 1 1 510 510 ALA N N 510 133.952 133.952 130.500 3.452 19213 6552 1 8 . 1 1 510 510 ALA HA H 510 4.946 4.946 5.682 -0.736 19213 6553 1 8 . 1 1 510 510 ALA C C 510 175.742 175.742 176.947 -1.205 19213 6554 1 8 . 1 1 510 510 ALA CA C 510 51.009 51.009 50.830 0.179 19213 6555 1 8 . 1 1 510 510 ALA CB C 510 21.245 21.245 21.002 0.243 19213 6556 1 8 . 1 1 510 510 ALA H H 510 8.865 8.865 8.544 0.321 19213 6557 1 8 . 1 1 511 511 THR N N 511 121.442 121.442 121.146 0.296 19213 6558 1 8 . 1 1 511 511 THR HA H 511 4.652 4.652 4.763 -0.111 19213 6559 1 8 . 1 1 511 511 THR C C 511 174.487 174.487 174.488 -0.001 19213 6560 1 8 . 1 1 511 511 THR CA C 511 62.152 62.152 61.746 0.406 19213 6561 1 8 . 1 1 511 511 THR CB C 511 69.678 69.678 70.609 -0.931 19213 6562 1 8 . 1 1 511 511 THR H H 511 9.368 9.368 9.222 0.146 19213 6563 1 8 . 1 1 512 512 THR N N 512 126.491 126.491 118.907 7.584 19213 6564 1 8 . 1 1 512 512 THR HA H 512 4.706 4.706 3.968 0.738 19213 6565 1 8 . 1 1 512 512 THR C C 512 173.054 173.054 174.578 -1.524 19213 6566 1 8 . 1 1 512 512 THR CA C 512 63.609 63.609 66.534 -2.925 19213 6567 1 8 . 1 1 512 512 THR CB C 512 69.408 69.408 69.046 0.362 19213 6568 1 8 . 1 1 512 512 THR H H 512 8.829 8.829 8.267 0.562 19213 6569 1 8 . 1 1 513 513 ASP N N 513 113.706 113.706 119.879 -6.173 19213 6570 1 8 . 1 1 513 513 ASP HA H 513 5.022 5.022 4.949 0.073 19213 6571 1 8 . 1 1 513 513 ASP C C 513 179.097 179.097 177.062 2.035 19213 6572 1 8 . 1 1 513 513 ASP CA C 513 52.164 52.164 52.177 -0.013 19213 6573 1 8 . 1 1 513 513 ASP CB C 513 42.331 42.331 40.764 1.567 19213 6574 1 8 . 1 1 513 513 ASP H H 513 7.272 7.272 8.014 -0.742 19213 6575 1 8 . 1 1 514 514 ILE N N 514 123.327 123.327 121.463 1.864 19213 6576 1 8 . 1 1 514 514 ILE HA H 514 3.636 3.636 3.953 -0.317 19213 6577 1 8 . 1 1 514 514 ILE C C 514 175.769 175.769 176.167 -0.398 19213 6578 1 8 . 1 1 514 514 ILE CA C 514 63.545 63.545 63.746 -0.201 19213 6579 1 8 . 1 1 514 514 ILE CB C 514 38.180 38.180 37.373 0.807 19213 6580 1 8 . 1 1 514 514 ILE H H 514 8.916 8.916 8.289 0.627 19213 6581 1 8 . 1 1 515 515 PHE N N 515 117.344 117.344 120.270 -2.926 19213 6582 1 8 . 1 1 515 515 PHE HA H 515 4.517 4.517 4.527 -0.010 19213 6583 1 8 . 1 1 515 515 PHE C C 515 176.514 176.514 176.412 0.102 19213 6584 1 8 . 1 1 515 515 PHE CA C 515 58.401 58.401 59.875 -1.474 19213 6585 1 8 . 1 1 515 515 PHE CB C 515 37.600 37.600 38.701 -1.101 19213 6586 1 8 . 1 1 515 515 PHE H H 515 8.154 8.154 8.081 0.073 19213 6587 1 8 . 1 1 516 516 LYS N N 516 120.351 120.351 117.252 3.099 19213 6588 1 8 . 1 1 516 516 LYS HA H 516 4.715 4.715 4.493 0.222 19213 6589 1 8 . 1 1 516 516 LYS C C 516 175.486 175.486 175.981 -0.495 19213 6590 1 8 . 1 1 516 516 LYS CA C 516 54.831 54.831 56.136 -1.304 19213 6591 1 8 . 1 1 516 516 LYS CB C 516 33.581 33.581 34.312 -0.731 19213 6592 1 8 . 1 1 516 516 LYS H H 516 7.634 7.634 8.335 -0.701 19213 6593 1 8 . 1 1 517 517 ALA N N 517 122.264 122.264 122.626 -0.362 19213 6594 1 8 . 1 1 517 517 ALA HA H 517 4.561 4.561 4.546 0.015 19213 6595 1 8 . 1 1 517 517 ALA C C 517 176.799 176.799 176.712 0.087 19213 6596 1 8 . 1 1 517 517 ALA CA C 517 51.980 51.980 52.078 -0.098 19213 6597 1 8 . 1 1 517 517 ALA CB C 517 20.779 20.779 19.783 0.996 19213 6598 1 8 . 1 1 517 517 ALA H H 517 7.552 7.552 7.312 0.240 19213 6599 1 8 . 1 1 518 518 GLY N N 518 110.102 110.102 112.394 -2.292 19213 6600 1 8 . 1 1 518 518 GLY C C 518 175.260 175.260 175.114 0.146 19213 6601 1 8 . 1 1 518 518 GLY CA C 518 46.252 46.252 44.596 1.656 19213 6602 1 8 . 1 1 518 518 GLY H H 518 8.499 8.499 8.569 -0.070 19213 6603 1 8 . 1 1 519 519 LEU N N 519 120.980 120.980 121.179 -0.199 19213 6604 1 8 . 1 1 519 519 LEU HA H 519 4.285 4.285 4.182 0.103 19213 6605 1 8 . 1 1 519 519 LEU C C 519 176.687 176.687 177.274 -0.587 19213 6606 1 8 . 1 1 519 519 LEU CA C 519 54.291 54.291 54.794 -0.503 19213 6607 1 8 . 1 1 519 519 LEU CB C 519 42.942 42.942 39.399 3.543 19213 6608 1 8 . 1 1 519 519 LEU H H 519 8.418 8.418 8.406 0.012 19213 6609 1 8 . 1 1 520 520 THR N N 520 107.429 107.429 117.110 -9.681 19213 6610 1 8 . 1 1 520 520 THR HA H 520 4.420 4.420 4.259 0.161 19213 6611 1 8 . 1 1 520 520 THR CA C 520 60.231 60.231 62.417 -2.186 19213 6612 1 8 . 1 1 520 520 THR CB C 520 71.205 71.205 69.841 1.363 19213 6613 1 8 . 1 1 520 520 THR H H 520 6.149 6.149 8.186 -2.037 19213 6614 1 8 . 1 1 521 521 GLU N N 521 118.700 118.700 119.102 -0.402 19213 6615 1 8 . 1 1 521 521 GLU HA H 521 4.173 4.173 4.368 -0.195 19213 6616 1 8 . 1 1 521 521 GLU C C 521 176.567 176.567 178.522 -1.955 19213 6617 1 8 . 1 1 521 521 GLU CA C 521 57.220 57.220 57.575 -0.355 19213 6618 1 8 . 1 1 521 521 GLU CB C 521 30.353 30.353 29.623 0.730 19213 6619 1 8 . 1 1 521 521 GLU H H 521 7.290 7.290 8.594 -1.304 19213 6620 1 8 . 1 1 522 522 CYS N N 522 121.185 121.185 119.851 1.334 19213 6621 1 8 . 1 1 522 522 CYS HA H 522 4.139 4.139 4.432 -0.293 19213 6622 1 8 . 1 1 522 522 CYS C C 522 177.769 177.769 177.182 0.587 19213 6623 1 8 . 1 1 522 522 CYS CA C 522 61.379 61.379 61.204 0.175 19213 6624 1 8 . 1 1 522 522 CYS CB C 522 32.851 32.851 26.200 6.651 19213 6625 1 8 . 1 1 522 522 CYS H H 522 8.218 8.218 8.567 -0.349 19213 6626 1 8 . 1 1 523 523 HIS N N 523 117.000 117.000 119.691 -2.691 19213 6627 1 8 . 1 1 523 523 HIS HA H 523 3.796 3.796 4.306 -0.510 19213 6628 1 8 . 1 1 523 523 HIS C C 523 177.832 177.832 177.204 0.628 19213 6629 1 8 . 1 1 523 523 HIS CA C 523 59.058 59.058 59.376 -0.318 19213 6630 1 8 . 1 1 523 523 HIS CB C 523 28.841 28.841 29.453 -0.612 19213 6631 1 8 . 1 1 523 523 HIS H H 523 7.333 7.333 8.284 -0.951 19213 6632 1 8 . 1 1 524 524 LEU N N 524 117.403 117.403 118.152 -0.749 19213 6633 1 8 . 1 1 524 524 LEU HA H 524 3.792 3.792 3.619 0.173 19213 6634 1 8 . 1 1 524 524 LEU C C 524 180.184 180.184 178.607 1.577 19213 6635 1 8 . 1 1 524 524 LEU CA C 524 58.223 58.223 58.181 0.042 19213 6636 1 8 . 1 1 524 524 LEU CB C 524 41.482 41.482 41.262 0.220 19213 6637 1 8 . 1 1 524 524 LEU H H 524 8.582 8.582 8.528 0.054 19213 6638 1 8 . 1 1 525 525 ASN N N 525 118.149 118.149 113.771 4.378 19213 6639 1 8 . 1 1 525 525 ASN HA H 525 4.534 4.534 4.519 0.015 19213 6640 1 8 . 1 1 525 525 ASN C C 525 177.023 177.023 176.238 0.785 19213 6641 1 8 . 1 1 525 525 ASN CA C 525 55.784 55.784 54.843 0.941 19213 6642 1 8 . 1 1 525 525 ASN CB C 525 38.017 38.017 37.923 0.094 19213 6643 1 8 . 1 1 525 525 ASN H H 525 9.226 9.226 7.870 1.356 19213 6644 1 8 . 1 1 526 526 GLN N N 526 115.619 115.619 118.941 -3.322 19213 6645 1 8 . 1 1 526 526 GLN HA H 526 4.358 4.358 4.214 0.144 19213 6646 1 8 . 1 1 526 526 GLN C C 526 175.801 175.801 176.831 -1.030 19213 6647 1 8 . 1 1 526 526 GLN CA C 526 57.008 57.008 57.577 -0.569 19213 6648 1 8 . 1 1 526 526 GLN CB C 526 28.586 28.586 29.563 -0.977 19213 6649 1 8 . 1 1 526 526 GLN H H 526 7.290 7.290 7.961 -0.671 19213 6650 1 8 . 1 1 527 527 LEU N N 527 115.651 115.651 118.782 -3.131 19213 6651 1 8 . 1 1 527 527 LEU HA H 527 4.130 4.130 4.279 -0.149 19213 6652 1 8 . 1 1 527 527 LEU C C 527 178.587 178.587 178.080 0.507 19213 6653 1 8 . 1 1 527 527 LEU CA C 527 55.568 55.568 55.945 -0.377 19213 6654 1 8 . 1 1 527 527 LEU CB C 527 42.148 42.148 42.252 -0.104 19213 6655 1 8 . 1 1 527 527 LEU H H 527 6.944 6.944 7.808 -0.864 19213 6656 1 8 . 1 1 528 528 ARG N N 528 121.110 121.110 120.552 0.558 19213 6657 1 8 . 1 1 528 528 ARG HA H 528 4.310 4.310 3.946 0.364 19213 6658 1 8 . 1 1 528 528 ARG CA C 528 61.278 61.278 61.959 -0.681 19213 6659 1 8 . 1 1 528 528 ARG CB C 528 28.800 28.800 27.880 0.920 19213 6660 1 8 . 1 1 528 528 ARG H H 528 8.246 8.246 8.283 -0.036 19213 6661 1 8 . 1 1 529 529 PRO HA H 529 4.432 4.432 4.292 0.140 19213 6662 1 8 . 1 1 529 529 PRO C C 529 177.119 177.119 177.360 -0.241 19213 6663 1 8 . 1 1 529 529 PRO CA C 529 65.500 65.500 65.196 0.304 19213 6664 1 8 . 1 1 529 529 PRO CB C 529 31.079 31.079 31.208 -0.129 19213 6665 1 8 . 1 1 530 530 LEU N N 530 113.140 113.140 116.709 -3.569 19213 6666 1 8 . 1 1 530 530 LEU HA H 530 4.186 4.186 4.412 -0.226 19213 6667 1 8 . 1 1 530 530 LEU C C 530 176.839 176.839 176.792 0.047 19213 6668 1 8 . 1 1 530 530 LEU CA C 530 54.360 54.360 54.513 -0.153 19213 6669 1 8 . 1 1 530 530 LEU CB C 530 42.962 42.962 42.040 0.922 19213 6670 1 8 . 1 1 530 530 LEU H H 530 6.908 6.908 7.693 -0.785 19213 6671 1 8 . 1 1 531 531 LYS N N 531 114.250 114.250 117.610 -3.360 19213 6672 1 8 . 1 1 531 531 LYS HA H 531 3.881 3.881 3.914 -0.033 19213 6673 1 8 . 1 1 531 531 LYS C C 531 173.063 173.063 175.366 -2.303 19213 6674 1 8 . 1 1 531 531 LYS CA C 531 57.573 57.573 56.998 0.575 19213 6675 1 8 . 1 1 531 531 LYS CB C 531 28.802 28.802 30.758 -1.956 19213 6676 1 8 . 1 1 531 531 LYS H H 531 8.120 8.120 7.721 0.399 19213 6677 1 8 . 1 1 532 532 VAL N N 532 115.759 115.759 118.053 -2.294 19213 6678 1 8 . 1 1 532 532 VAL HA H 532 3.000 3.000 3.833 -0.833 19213 6679 1 8 . 1 1 532 532 VAL C C 532 174.337 174.337 176.015 -1.678 19213 6680 1 8 . 1 1 532 532 VAL CA C 532 64.525 64.525 63.701 0.824 19213 6681 1 8 . 1 1 532 532 VAL CB C 532 32.785 32.785 31.271 1.514 19213 6682 1 8 . 1 1 532 532 VAL H H 532 6.477 6.477 7.273 -0.796 19213 6683 1 8 . 1 1 533 533 ARG N N 533 123.594 123.594 128.195 -4.601 19213 6684 1 8 . 1 1 533 533 ARG HA H 533 4.457 4.457 4.677 -0.220 19213 6685 1 8 . 1 1 533 533 ARG C C 533 173.662 173.662 174.528 -0.866 19213 6686 1 8 . 1 1 533 533 ARG CA C 533 53.844 53.844 55.217 -1.373 19213 6687 1 8 . 1 1 533 533 ARG CB C 533 31.242 31.242 30.400 0.842 19213 6688 1 8 . 1 1 533 533 ARG H H 533 8.917 8.917 8.028 0.889 19213 6689 1 8 . 1 1 534 534 ALA N N 534 123.107 123.107 122.697 0.410 19213 6690 1 8 . 1 1 534 534 ALA HA H 534 4.663 4.663 5.168 -0.505 19213 6691 1 8 . 1 1 534 534 ALA C C 534 176.608 176.608 175.041 1.567 19213 6692 1 8 . 1 1 534 534 ALA CA C 534 51.456 51.456 51.893 -0.437 19213 6693 1 8 . 1 1 534 534 ALA CB C 534 25.134 25.134 21.007 4.127 19213 6694 1 8 . 1 1 534 534 ALA H H 534 8.338 8.338 7.826 0.512 19213 6695 1 8 . 1 1 535 535 ASN N N 535 117.841 117.841 117.233 0.608 19213 6696 1 8 . 1 1 535 535 ASN HA H 535 6.000 6.000 4.873 1.127 19213 6697 1 8 . 1 1 535 535 ASN C C 535 170.841 170.841 172.921 -2.080 19213 6698 1 8 . 1 1 535 535 ASN CA C 535 52.258 52.258 53.679 -1.421 19213 6699 1 8 . 1 1 535 535 ASN CB C 535 42.060 42.060 40.380 1.680 19213 6700 1 8 . 1 1 535 535 ASN H H 535 9.052 9.052 8.678 0.374 19213 6701 1 8 . 1 1 536 536 LEU N N 536 123.199 123.199 127.688 -4.489 19213 6702 1 8 . 1 1 536 536 LEU HA H 536 4.667 4.667 4.881 -0.214 19213 6703 1 8 . 1 1 536 536 LEU C C 536 173.345 173.345 173.716 -0.371 19213 6704 1 8 . 1 1 536 536 LEU CA C 536 54.258 54.258 53.167 1.091 19213 6705 1 8 . 1 1 536 536 LEU CB C 536 43.282 43.282 44.977 -1.695 19213 6706 1 8 . 1 1 536 536 LEU H H 536 8.163 8.163 7.409 0.754 19213 6707 1 8 . 1 1 537 537 VAL N N 537 128.390 128.390 121.843 6.547 19213 6708 1 8 . 1 1 537 537 VAL HA H 537 4.428 4.428 4.474 -0.046 19213 6709 1 8 . 1 1 537 537 VAL C C 537 174.411 174.411 173.794 0.617 19213 6710 1 8 . 1 1 537 537 VAL CA C 537 62.112 62.112 59.953 2.159 19213 6711 1 8 . 1 1 537 537 VAL CB C 537 34.747 34.747 33.574 1.173 19213 6712 1 8 . 1 1 537 537 VAL H H 537 8.881 8.881 7.800 1.081 19213 6713 1 8 . 1 1 538 538 VAL N N 538 118.758 118.758 124.729 -5.971 19213 6714 1 8 . 1 1 538 538 VAL HA H 538 5.360 5.360 4.446 0.914 19213 6715 1 8 . 1 1 538 538 VAL CA C 538 56.783 56.783 58.262 -1.479 19213 6716 1 8 . 1 1 538 538 VAL CB C 538 33.069 33.069 34.225 -1.156 19213 6717 1 8 . 1 1 538 538 VAL H H 538 8.456 8.456 8.229 0.227 19213 6718 1 8 . 1 1 539 539 PRO HA H 539 4.832 4.832 4.656 0.176 19213 6719 1 8 . 1 1 539 539 PRO C C 539 175.835 175.835 175.803 0.032 19213 6720 1 8 . 1 1 539 539 PRO CA C 539 62.909 62.909 62.895 0.014 19213 6721 1 8 . 1 1 539 539 PRO CB C 539 34.483 34.483 32.081 2.402 19213 6722 1 8 . 1 1 540 540 MET N N 540 116.774 116.774 123.735 -6.961 19213 6723 1 8 . 1 1 540 540 MET HA H 540 4.372 4.372 4.894 -0.522 19213 6724 1 8 . 1 1 540 540 MET C C 540 173.982 173.982 174.855 -0.873 19213 6725 1 8 . 1 1 540 540 MET CA C 540 55.763 55.763 53.791 1.972 19213 6726 1 8 . 1 1 540 540 MET CB C 540 35.394 35.394 33.988 1.406 19213 6727 1 8 . 1 1 540 540 MET H H 540 8.212 8.212 8.209 0.003 19213 6728 1 8 . 1 1 541 541 VAL N N 541 127.382 127.382 124.342 3.040 19213 6729 1 8 . 1 1 541 541 VAL HA H 541 4.851 4.851 4.999 -0.148 19213 6730 1 8 . 1 1 541 541 VAL C C 541 174.789 174.789 175.398 -0.609 19213 6731 1 8 . 1 1 541 541 VAL CA C 541 61.847 61.847 61.144 0.703 19213 6732 1 8 . 1 1 541 541 VAL CB C 541 33.092 33.092 33.382 -0.290 19213 6733 1 8 . 1 1 541 541 VAL H H 541 8.342 8.342 8.665 -0.323 19213 6734 1 8 . 1 1 542 542 ILE N N 542 126.100 126.100 128.278 -2.178 19213 6735 1 8 . 1 1 542 542 ILE HA H 542 4.225 4.225 4.363 -0.138 19213 6736 1 8 . 1 1 542 542 ILE C C 542 176.127 176.127 175.880 0.247 19213 6737 1 8 . 1 1 542 542 ILE CA C 542 60.535 60.535 59.892 0.643 19213 6738 1 8 . 1 1 542 542 ILE CB C 542 41.569 41.569 41.357 0.212 19213 6739 1 8 . 1 1 542 542 ILE H H 542 8.687 8.687 9.222 -0.535 19213 6740 1 8 . 1 1 543 543 ASP N N 543 132.060 132.060 128.348 3.712 19213 6741 1 8 . 1 1 543 543 ASP HA H 543 4.203 4.203 4.253 -0.050 19213 6742 1 8 . 1 1 543 543 ASP C C 543 175.231 175.231 175.047 0.184 19213 6743 1 8 . 1 1 543 543 ASP CA C 543 55.725 55.725 55.727 -0.002 19213 6744 1 8 . 1 1 543 543 ASP CB C 543 39.705 39.705 38.895 0.810 19213 6745 1 8 . 1 1 543 543 ASP H H 543 10.386 10.386 9.290 1.096 19213 6746 1 8 . 1 1 544 544 ASP N N 544 111.355 111.355 110.767 0.588 19213 6747 1 8 . 1 1 544 544 ASP HA H 544 4.109 4.109 4.192 -0.083 19213 6748 1 8 . 1 1 544 544 ASP C C 544 174.479 174.479 174.752 -0.273 19213 6749 1 8 . 1 1 544 544 ASP CA C 544 55.744 55.744 55.598 0.146 19213 6750 1 8 . 1 1 544 544 ASP CB C 544 41.048 41.048 39.670 1.377 19213 6751 1 8 . 1 1 544 544 ASP H H 544 8.812 8.812 8.686 0.126 19213 6752 1 8 . 1 1 545 545 GLN N N 545 117.226 117.226 117.768 -0.542 19213 6753 1 8 . 1 1 545 545 GLN HA H 545 4.582 4.582 4.622 -0.040 19213 6754 1 8 . 1 1 545 545 GLN C C 545 174.762 174.762 174.173 0.589 19213 6755 1 8 . 1 1 545 545 GLN CA C 545 53.703 53.703 54.427 -0.724 19213 6756 1 8 . 1 1 545 545 GLN CB C 545 31.687 31.687 32.005 -0.318 19213 6757 1 8 . 1 1 545 545 GLN H H 545 7.884 7.884 8.226 -0.342 19213 6758 1 8 . 1 1 546 546 LEU N N 546 123.783 123.783 129.631 -5.848 19213 6759 1 8 . 1 1 546 546 LEU HA H 546 4.590 4.590 4.478 0.112 19213 6760 1 8 . 1 1 546 546 LEU C C 546 174.041 174.041 176.012 -1.971 19213 6761 1 8 . 1 1 546 546 LEU CA C 546 55.029 55.029 55.245 -0.216 19213 6762 1 8 . 1 1 546 546 LEU CB C 546 42.361 42.361 41.282 1.079 19213 6763 1 8 . 1 1 546 546 LEU H H 546 9.175 9.175 8.801 0.374 19213 6764 1 8 . 1 1 547 547 PHE N N 547 132.161 132.161 125.624 6.537 19213 6765 1 8 . 1 1 547 547 PHE HA H 547 4.564 4.564 4.730 -0.166 19213 6766 1 8 . 1 1 547 547 PHE C C 547 176.063 176.063 174.520 1.543 19213 6767 1 8 . 1 1 547 547 PHE CA C 547 59.445 59.445 58.413 1.032 19213 6768 1 8 . 1 1 547 547 PHE CB C 547 41.069 41.069 40.970 0.099 19213 6769 1 8 . 1 1 547 547 PHE H H 547 8.925 8.925 7.940 0.985 19213 6770 1 8 . 1 1 548 548 GLY N N 548 103.713 103.713 104.340 -0.627 19213 6771 1 8 . 1 1 548 548 GLY C C 548 169.176 169.176 171.070 -1.894 19213 6772 1 8 . 1 1 548 548 GLY CA C 548 45.906 45.906 44.443 1.463 19213 6773 1 8 . 1 1 548 548 GLY H H 548 8.025 8.025 7.384 0.641 19213 6774 1 8 . 1 1 549 549 LEU N N 549 117.457 117.457 119.006 -1.549 19213 6775 1 8 . 1 1 549 549 LEU HA H 549 4.872 4.872 4.865 0.007 19213 6776 1 8 . 1 1 549 549 LEU C C 549 174.008 174.008 173.547 0.461 19213 6777 1 8 . 1 1 549 549 LEU CA C 549 52.697 52.697 54.750 -2.053 19213 6778 1 8 . 1 1 549 549 LEU CB C 549 44.641 44.641 46.660 -2.019 19213 6779 1 8 . 1 1 549 549 LEU H H 549 8.738 8.738 7.484 1.254 19213 6780 1 8 . 1 1 550 550 LEU N N 550 127.533 127.533 126.675 0.858 19213 6781 1 8 . 1 1 550 550 LEU HA H 550 4.920 4.920 4.600 0.320 19213 6782 1 8 . 1 1 550 550 LEU C C 550 175.162 175.162 174.458 0.704 19213 6783 1 8 . 1 1 550 550 LEU CA C 550 53.922 53.922 53.639 0.283 19213 6784 1 8 . 1 1 550 550 LEU CB C 550 42.857 42.857 43.880 -1.023 19213 6785 1 8 . 1 1 550 550 LEU H H 550 9.078 9.078 7.890 1.188 19213 6786 1 8 . 1 1 551 551 ILE N N 551 123.427 123.427 126.639 -3.212 19213 6787 1 8 . 1 1 551 551 ILE HA H 551 5.332 5.332 4.925 0.407 19213 6788 1 8 . 1 1 551 551 ILE C C 551 174.056 174.056 173.905 0.151 19213 6789 1 8 . 1 1 551 551 ILE CA C 551 59.702 59.702 59.015 0.687 19213 6790 1 8 . 1 1 551 551 ILE CB C 551 41.568 41.568 40.892 0.675 19213 6791 1 8 . 1 1 551 551 ILE H H 551 8.382 8.382 7.892 0.490 19213 6792 1 8 . 1 1 552 552 ALA N N 552 129.153 129.153 128.372 0.781 19213 6793 1 8 . 1 1 552 552 ALA HA H 552 5.130 5.130 4.362 0.768 19213 6794 1 8 . 1 1 552 552 ALA C C 552 176.892 176.892 174.687 2.205 19213 6795 1 8 . 1 1 552 552 ALA CA C 552 49.481 49.481 50.044 -0.563 19213 6796 1 8 . 1 1 552 552 ALA CB C 552 22.936 22.936 21.319 1.617 19213 6797 1 8 . 1 1 552 552 ALA H H 552 9.245 9.245 7.582 1.663 19213 6798 1 8 . 1 1 553 553 HIS N N 553 117.481 117.481 119.567 -2.086 19213 6799 1 8 . 1 1 553 553 HIS HA H 553 5.879 5.879 4.713 1.166 19213 6800 1 8 . 1 1 553 553 HIS C C 553 175.709 175.709 173.821 1.888 19213 6801 1 8 . 1 1 553 553 HIS CA C 553 52.575 52.575 55.280 -2.705 19213 6802 1 8 . 1 1 553 553 HIS CB C 553 36.391 36.391 34.026 2.365 19213 6803 1 8 . 1 1 553 553 HIS H H 553 9.584 9.584 8.499 1.085 19213 6804 1 8 . 1 1 554 554 GLN N N 554 125.534 125.534 123.742 1.792 19213 6805 1 8 . 1 1 554 554 GLN HA H 554 4.604 4.604 4.456 0.148 19213 6806 1 8 . 1 1 554 554 GLN C C 554 174.647 174.647 175.687 -1.040 19213 6807 1 8 . 1 1 554 554 GLN CA C 554 55.753 55.753 55.258 0.495 19213 6808 1 8 . 1 1 554 554 GLN CB C 554 30.350 30.350 28.444 1.906 19213 6809 1 8 . 1 1 554 554 GLN H H 554 9.240 9.240 8.834 0.406 19213 6810 1 8 . 1 1 555 555 ALA N N 555 135.281 135.281 129.935 5.346 19213 6811 1 8 . 1 1 555 555 ALA HA H 555 4.543 4.543 4.056 0.487 19213 6812 1 8 . 1 1 555 555 ALA C C 555 177.707 177.707 177.838 -0.131 19213 6813 1 8 . 1 1 555 555 ALA CA C 555 53.062 53.062 53.760 -0.698 19213 6814 1 8 . 1 1 555 555 ALA CB C 555 19.238 19.238 17.559 1.679 19213 6815 1 8 . 1 1 555 555 ALA H H 555 11.446 11.446 8.340 3.106 19213 6816 1 8 . 1 1 556 556 SER N N 556 110.784 110.784 114.474 -3.690 19213 6817 1 8 . 1 1 556 556 SER HA H 556 4.190 4.190 4.488 -0.298 19213 6818 1 8 . 1 1 556 556 SER C C 556 174.538 174.538 174.432 0.106 19213 6819 1 8 . 1 1 556 556 SER CA C 556 60.691 60.691 60.872 -0.181 19213 6820 1 8 . 1 1 556 556 SER CB C 556 63.729 63.729 63.952 -0.223 19213 6821 1 8 . 1 1 556 556 SER H H 556 8.106 8.106 7.890 0.216 19213 6822 1 8 . 1 1 557 557 GLU N N 557 118.812 118.812 116.930 1.882 19213 6823 1 8 . 1 1 557 557 GLU CA C 557 53.779 53.779 53.199 0.580 19213 6824 1 8 . 1 1 557 557 GLU CB C 557 30.585 30.585 30.384 0.201 19213 6825 1 8 . 1 1 557 557 GLU H H 557 7.380 7.380 8.276 -0.896 19213 6826 1 8 . 1 1 558 558 PRO HA H 558 4.290 4.290 4.510 -0.220 19213 6827 1 8 . 1 1 558 558 PRO C C 558 175.238 175.238 176.331 -1.093 19213 6828 1 8 . 1 1 558 558 PRO CA C 558 62.733 62.733 63.276 -0.543 19213 6829 1 8 . 1 1 558 558 PRO CB C 558 32.892 32.892 32.204 0.688 19213 6830 1 8 . 1 1 559 559 ARG N N 559 121.705 121.705 119.886 1.819 19213 6831 1 8 . 1 1 559 559 ARG HA H 559 3.949 3.949 4.554 -0.605 19213 6832 1 8 . 1 1 559 559 ARG C C 559 171.339 171.339 173.998 -2.659 19213 6833 1 8 . 1 1 559 559 ARG CA C 559 55.522 55.522 54.741 0.781 19213 6834 1 8 . 1 1 559 559 ARG CB C 559 33.266 33.266 33.686 -0.420 19213 6835 1 8 . 1 1 559 559 ARG H H 559 8.106 8.106 8.306 -0.200 19213 6836 1 8 . 1 1 560 560 GLN N N 560 125.611 125.611 122.054 3.557 19213 6837 1 8 . 1 1 560 560 GLN HA H 560 4.386 4.386 3.882 0.504 19213 6838 1 8 . 1 1 560 560 GLN C C 560 175.691 175.691 174.767 0.924 19213 6839 1 8 . 1 1 560 560 GLN CA C 560 53.655 53.655 54.024 -0.369 19213 6840 1 8 . 1 1 560 560 GLN CB C 560 27.650 27.650 28.831 -1.181 19213 6841 1 8 . 1 1 560 560 GLN H H 560 8.295 8.295 8.392 -0.097 19213 6842 1 8 . 1 1 561 561 TRP N N 561 132.619 132.619 125.145 7.474 19213 6843 1 8 . 1 1 561 561 TRP HA H 561 4.449 4.449 4.755 -0.306 19213 6844 1 8 . 1 1 561 561 TRP C C 561 176.089 176.089 176.150 -0.061 19213 6845 1 8 . 1 1 561 561 TRP CA C 561 56.370 56.370 55.829 0.541 19213 6846 1 8 . 1 1 561 561 TRP CB C 561 28.641 28.641 29.501 -0.860 19213 6847 1 8 . 1 1 561 561 TRP H H 561 7.899 7.899 7.055 0.844 19213 6848 1 8 . 1 1 562 562 GLN N N 562 124.398 124.398 123.919 0.479 19213 6849 1 8 . 1 1 562 562 GLN HA H 562 4.465 4.465 4.244 0.221 19213 6850 1 8 . 1 1 562 562 GLN C C 562 177.060 177.060 177.168 -0.108 19213 6851 1 8 . 1 1 562 562 GLN CA C 562 54.712 54.712 55.704 -0.992 19213 6852 1 8 . 1 1 562 562 GLN CB C 562 30.536 30.536 29.827 0.709 19213 6853 1 8 . 1 1 562 562 GLN H H 562 9.714 9.714 8.566 1.148 19213 6854 1 8 . 1 1 563 563 GLU N N 563 124.299 124.299 121.077 3.222 19213 6855 1 8 . 1 1 563 563 GLU HA H 563 3.913 3.913 4.032 -0.119 19213 6856 1 8 . 1 1 563 563 GLU C C 563 178.669 178.669 178.335 0.334 19213 6857 1 8 . 1 1 563 563 GLU CA C 563 61.261 61.261 59.498 1.763 19213 6858 1 8 . 1 1 563 563 GLU CB C 563 29.246 29.246 29.082 0.164 19213 6859 1 8 . 1 1 563 563 GLU H H 563 9.197 9.197 8.983 0.214 19213 6860 1 8 . 1 1 564 564 ILE N N 564 115.325 115.325 118.564 -3.239 19213 6861 1 8 . 1 1 564 564 ILE HA H 564 4.217 4.217 4.001 0.216 19213 6862 1 8 . 1 1 564 564 ILE C C 564 177.495 177.495 178.439 -0.944 19213 6863 1 8 . 1 1 564 564 ILE CA C 564 63.396 63.396 62.937 0.459 19213 6864 1 8 . 1 1 564 564 ILE CB C 564 37.815 37.815 36.494 1.321 19213 6865 1 8 . 1 1 564 564 ILE H H 564 8.482 8.482 8.271 0.211 19213 6866 1 8 . 1 1 565 565 GLU N N 565 121.151 121.151 119.914 1.237 19213 6867 1 8 . 1 1 565 565 GLU HA H 565 4.014 4.014 4.065 -0.051 19213 6868 1 8 . 1 1 565 565 GLU C C 565 178.136 178.136 179.520 -1.384 19213 6869 1 8 . 1 1 565 565 GLU CA C 565 58.734 58.734 59.456 -0.722 19213 6870 1 8 . 1 1 565 565 GLU CB C 565 29.617 29.617 29.034 0.584 19213 6871 1 8 . 1 1 565 565 GLU H H 565 6.700 6.700 7.709 -1.009 19213 6872 1 8 . 1 1 566 566 ILE N N 566 119.835 119.835 120.340 -0.505 19213 6873 1 8 . 1 1 566 566 ILE HA H 566 3.450 3.450 4.027 -0.577 19213 6874 1 8 . 1 1 566 566 ILE C C 566 178.664 178.664 178.150 0.514 19213 6875 1 8 . 1 1 566 566 ILE CA C 566 66.463 66.463 63.737 2.726 19213 6876 1 8 . 1 1 566 566 ILE CB C 566 38.360 38.360 36.657 1.703 19213 6877 1 8 . 1 1 566 566 ILE H H 566 8.122 8.122 7.612 0.510 19213 6878 1 8 . 1 1 567 567 ASP N N 567 120.402 120.402 120.887 -0.485 19213 6879 1 8 . 1 1 567 567 ASP HA H 567 4.372 4.372 4.360 0.012 19213 6880 1 8 . 1 1 567 567 ASP C C 567 179.395 179.395 179.235 0.160 19213 6881 1 8 . 1 1 567 567 ASP CA C 567 57.846 57.846 57.655 0.191 19213 6882 1 8 . 1 1 567 567 ASP CB C 567 40.610 40.610 39.996 0.614 19213 6883 1 8 . 1 1 567 567 ASP H H 567 8.503 8.503 8.020 0.483 19213 6884 1 8 . 1 1 568 568 GLN N N 568 118.044 118.044 119.090 -1.046 19213 6885 1 8 . 1 1 568 568 GLN HA H 568 4.147 4.147 3.941 0.206 19213 6886 1 8 . 1 1 568 568 GLN C C 568 179.163 179.163 178.473 0.690 19213 6887 1 8 . 1 1 568 568 GLN CA C 568 59.243 59.243 58.923 0.320 19213 6888 1 8 . 1 1 568 568 GLN CB C 568 29.668 29.668 28.633 1.035 19213 6889 1 8 . 1 1 568 568 GLN H H 568 8.273 8.273 7.916 0.357 19213 6890 1 8 . 1 1 569 569 PHE N N 569 124.363 124.363 119.524 4.839 19213 6891 1 8 . 1 1 569 569 PHE HA H 569 4.303 4.303 4.070 0.233 19213 6892 1 8 . 1 1 569 569 PHE C C 569 177.052 177.052 177.870 -0.818 19213 6893 1 8 . 1 1 569 569 PHE CA C 569 61.230 61.230 61.853 -0.623 19213 6894 1 8 . 1 1 569 569 PHE CB C 569 40.614 40.614 38.540 2.074 19213 6895 1 8 . 1 1 569 569 PHE H H 569 8.962 8.962 8.026 0.936 19213 6896 1 8 . 1 1 570 570 SER N N 570 113.474 113.474 115.747 -2.273 19213 6897 1 8 . 1 1 570 570 SER HA H 570 4.353 4.353 4.065 0.288 19213 6898 1 8 . 1 1 570 570 SER C C 570 177.332 177.332 176.836 0.496 19213 6899 1 8 . 1 1 570 570 SER CA C 570 61.727 61.727 62.040 -0.313 19213 6900 1 8 . 1 1 570 570 SER CB C 570 62.752 62.752 63.003 -0.251 19213 6901 1 8 . 1 1 570 570 SER H H 570 8.880 8.880 8.541 0.339 19213 6902 1 8 . 1 1 571 571 GLU N N 571 122.935 122.935 123.351 -0.416 19213 6903 1 8 . 1 1 571 571 GLU HA H 571 4.151 4.151 4.141 0.010 19213 6904 1 8 . 1 1 571 571 GLU C C 571 178.900 178.900 179.478 -0.578 19213 6905 1 8 . 1 1 571 571 GLU CA C 571 59.404 59.404 58.751 0.653 19213 6906 1 8 . 1 1 571 571 GLU CB C 571 29.340 29.340 29.284 0.056 19213 6907 1 8 . 1 1 571 571 GLU H H 571 8.251 8.251 7.860 0.391 19213 6908 1 8 . 1 1 572 572 LEU N N 572 123.239 123.239 121.276 1.963 19213 6909 1 8 . 1 1 572 572 LEU HA H 572 4.040 4.040 4.054 -0.014 19213 6910 1 8 . 1 1 572 572 LEU C C 572 178.222 178.222 178.621 -0.399 19213 6911 1 8 . 1 1 572 572 LEU CA C 572 58.316 58.316 57.867 0.449 19213 6912 1 8 . 1 1 572 572 LEU CB C 572 41.446 41.446 41.700 -0.254 19213 6913 1 8 . 1 1 572 572 LEU H H 572 7.811 7.811 8.473 -0.662 19213 6914 1 8 . 1 1 573 573 ALA N N 573 120.107 120.107 120.025 0.082 19213 6915 1 8 . 1 1 573 573 ALA HA H 573 3.704 3.704 4.073 -0.369 19213 6916 1 8 . 1 1 573 573 ALA C C 573 180.552 180.552 179.650 0.902 19213 6917 1 8 . 1 1 573 573 ALA CA C 573 55.596 55.596 55.474 0.122 19213 6918 1 8 . 1 1 573 573 ALA CB C 573 19.404 19.404 18.358 1.046 19213 6919 1 8 . 1 1 573 573 ALA H H 573 7.636 7.636 8.759 -1.123 19213 6920 1 8 . 1 1 574 574 SER N N 574 116.333 116.333 113.694 2.639 19213 6921 1 8 . 1 1 574 574 SER HA H 574 4.415 4.415 4.211 0.204 19213 6922 1 8 . 1 1 574 574 SER C C 574 177.418 177.418 176.541 0.877 19213 6923 1 8 . 1 1 574 574 SER CA C 574 61.750 61.750 61.332 0.418 19213 6924 1 8 . 1 1 574 574 SER CB C 574 62.688 62.688 62.543 0.145 19213 6925 1 8 . 1 1 574 574 SER H H 574 8.675 8.675 8.659 0.016 19213 6926 1 8 . 1 1 575 575 THR N N 575 120.659 120.659 118.964 1.695 19213 6927 1 8 . 1 1 575 575 THR HA H 575 4.001 4.001 3.931 0.070 19213 6928 1 8 . 1 1 575 575 THR C C 575 177.033 177.033 176.770 0.263 19213 6929 1 8 . 1 1 575 575 THR CA C 575 66.835 66.835 66.863 -0.028 19213 6930 1 8 . 1 1 575 575 THR CB C 575 68.384 68.384 68.385 -0.001 19213 6931 1 8 . 1 1 575 575 THR H H 575 8.870 8.870 7.825 1.045 19213 6932 1 8 . 1 1 576 576 GLY N N 576 108.168 108.168 109.032 -0.864 19213 6933 1 8 . 1 1 576 576 GLY C C 576 174.221 174.221 175.670 -1.449 19213 6934 1 8 . 1 1 576 576 GLY CA C 576 47.808 47.808 46.897 0.911 19213 6935 1 8 . 1 1 576 576 GLY H H 576 8.687 8.687 7.734 0.953 19213 6936 1 8 . 1 1 577 577 SER N N 577 118.111 118.111 117.272 0.839 19213 6937 1 8 . 1 1 577 577 SER HA H 577 3.889 3.889 3.847 0.042 19213 6938 1 8 . 1 1 577 577 SER C C 577 174.830 174.830 176.509 -1.679 19213 6939 1 8 . 1 1 577 577 SER CA C 577 63.606 63.606 61.673 1.933 19213 6940 1 8 . 1 1 577 577 SER CB C 577 62.564 62.564 62.935 -0.371 19213 6941 1 8 . 1 1 577 577 SER H H 577 8.314 8.314 7.568 0.746 19213 6942 1 8 . 1 1 578 578 LEU N N 578 122.532 122.532 120.880 1.652 19213 6943 1 8 . 1 1 578 578 LEU HA H 578 3.785 3.785 4.080 -0.295 19213 6944 1 8 . 1 1 578 578 LEU C C 578 179.351 179.351 179.192 0.159 19213 6945 1 8 . 1 1 578 578 LEU CA C 578 58.109 58.109 57.285 0.825 19213 6946 1 8 . 1 1 578 578 LEU CB C 578 41.837 41.837 41.426 0.411 19213 6947 1 8 . 1 1 578 578 LEU H H 578 7.841 7.841 7.602 0.239 19213 6948 1 8 . 1 1 579 579 VAL N N 579 122.455 122.455 118.549 3.906 19213 6949 1 8 . 1 1 579 579 VAL CA C 579 59.949 59.949 65.934 -5.985 19213 6950 1 8 . 1 1 579 579 VAL CB C 579 31.167 31.167 31.127 0.040 19213 6951 1 8 . 1 1 579 579 VAL H H 579 8.789 8.789 7.395 1.394 19213 6952 1 8 . 1 1 582 582 ARG HA H 582 3.694 3.694 4.209 -0.515 19213 6953 1 8 . 1 1 582 582 ARG C C 582 170.822 170.822 179.265 -8.443 19213 6954 1 8 . 1 1 582 582 ARG CA C 582 58.211 58.211 58.562 -0.352 19213 6955 1 8 . 1 1 582 582 ARG CB C 582 30.031 30.031 30.394 -0.363 19213 6956 1 8 . 1 1 583 583 LEU N N 583 118.579 118.579 119.928 -1.349 19213 6957 1 8 . 1 1 583 583 LEU CA C 583 58.995 58.995 57.013 1.982 19213 6958 1 8 . 1 1 583 583 LEU CB C 583 42.668 42.668 41.883 0.785 19213 6959 1 8 . 1 1 583 583 LEU H H 583 7.100 7.100 8.278 -1.178 19213 6960 1 8 . 1 1 585 585 PHE C C 585 176.850 176.850 174.034 2.816 19213 6961 1 8 . 1 1 585 585 PHE CA C 585 54.882 54.882 57.873 -2.991 19213 6962 1 8 . 1 1 585 585 PHE CB C 585 41.019 41.019 39.553 1.466 19213 6963 1 8 . 1 1 586 586 LEU N N 586 122.944 122.944 128.669 -5.725 19213 6964 1 8 . 1 1 586 586 LEU CA C 586 55.891 55.891 55.110 0.781 19213 6965 1 8 . 1 1 586 586 LEU CB C 586 42.021 42.021 43.464 -1.443 19213 6966 1 8 . 1 1 586 586 LEU H H 586 8.147 8.147 7.675 0.472 19213 6967 1 8 . 1 1 587 587 GLU HA H 587 4.213 4.213 3.870 0.343 19213 6968 1 8 . 1 1 587 587 GLU C C 587 176.917 176.917 177.198 -0.281 19213 6969 1 8 . 1 1 587 587 GLU CA C 587 57.437 57.437 57.984 -0.547 19213 6970 1 8 . 1 1 587 587 GLU CB C 587 30.047 30.047 29.879 0.168 19213 6971 1 8 . 1 1 588 588 GLN N N 588 120.604 120.604 117.088 3.516 19213 6972 1 8 . 1 1 588 588 GLN CA C 588 57.300 57.300 57.939 -0.639 19213 6973 1 8 . 1 1 588 588 GLN CB C 588 30.196 30.196 27.797 2.399 19213 6974 1 8 . 1 1 588 588 GLN H H 588 8.402 8.402 8.307 0.095 19213 6975 1 8 . 1 1 589 589 THR HA H 589 4.167 4.167 4.551 -0.384 19213 6976 1 8 . 1 1 589 589 THR C C 589 174.851 174.851 175.145 -0.294 19213 6977 1 8 . 1 1 589 589 THR CA C 589 62.959 62.959 60.942 2.017 19213 6978 1 8 . 1 1 589 589 THR CB C 589 69.693 69.693 68.632 1.061 19213 6979 1 8 . 1 1 590 590 ILE N N 590 123.158 123.158 120.839 2.319 19213 6980 1 8 . 1 1 590 590 ILE CA C 590 61.524 61.524 60.895 0.629 19213 6981 1 8 . 1 1 590 590 ILE CB C 590 38.402 38.402 36.120 2.282 19213 6982 1 8 . 1 1 590 590 ILE H H 590 8.028 8.028 7.623 0.405 19213 6983 1 8 . 1 1 591 591 ALA HA H 591 4.180 4.180 4.117 0.063 19213 6984 1 8 . 1 1 591 591 ALA C C 591 178.457 178.457 179.044 -0.587 19213 6985 1 8 . 1 1 591 591 ALA CA C 591 53.569 53.569 53.928 -0.359 19213 6986 1 8 . 1 1 591 591 ALA CB C 591 18.733 18.733 19.071 -0.338 19213 6987 1 8 . 1 1 592 592 SER N N 592 113.507 113.507 114.814 -1.307 19213 6988 1 8 . 1 1 592 592 SER HA H 592 4.290 4.290 4.303 -0.013 19213 6989 1 8 . 1 1 592 592 SER C C 592 174.913 174.913 175.487 -0.574 19213 6990 1 8 . 1 1 592 592 SER CA C 592 58.992 58.992 59.824 -0.832 19213 6991 1 8 . 1 1 592 592 SER CB C 592 63.550 63.550 63.320 0.230 19213 6992 1 8 . 1 1 592 592 SER H H 592 7.946 7.946 8.459 -0.513 19213 6993 1 9 . 1 1 430 430 ALA N N 430 132.375 132.375 122.653 9.722 19213 6994 1 9 . 1 1 430 430 ALA CA C 430 51.092 51.092 53.483 -2.391 19213 6995 1 9 . 1 1 430 430 ALA CB C 430 21.474 21.474 17.282 4.192 19213 6996 1 9 . 1 1 430 430 ALA H H 430 8.772 8.772 8.418 0.354 19213 6997 1 9 . 1 1 431 431 ALA N N 431 117.710 117.710 123.135 -5.425 19213 6998 1 9 . 1 1 431 431 ALA HA H 431 4.346 4.346 4.299 0.047 19213 6999 1 9 . 1 1 431 431 ALA C C 431 177.537 177.537 177.583 -0.046 19213 7000 1 9 . 1 1 431 431 ALA CA C 431 52.341 52.341 51.792 0.549 19213 7001 1 9 . 1 1 431 431 ALA CB C 431 19.209 19.209 19.383 -0.174 19213 7002 1 9 . 1 1 431 431 ALA H H 431 8.180 8.180 8.000 0.180 19213 7003 1 9 . 1 1 432 432 VAL N N 432 120.378 120.378 122.377 -1.999 19213 7004 1 9 . 1 1 432 432 VAL HA H 432 4.045 4.045 4.040 0.005 19213 7005 1 9 . 1 1 432 432 VAL C C 432 175.692 175.692 175.159 0.533 19213 7006 1 9 . 1 1 432 432 VAL CA C 432 62.172 62.172 62.987 -0.815 19213 7007 1 9 . 1 1 432 432 VAL CB C 432 33.029 33.029 32.611 0.418 19213 7008 1 9 . 1 1 432 432 VAL H H 432 8.191 8.191 8.185 0.006 19213 7009 1 9 . 1 1 433 433 GLN N N 433 124.398 124.398 126.406 -2.008 19213 7010 1 9 . 1 1 433 433 GLN CA C 433 54.855 54.855 54.252 0.603 19213 7011 1 9 . 1 1 433 433 GLN CB C 433 29.530 29.530 31.520 -1.990 19213 7012 1 9 . 1 1 433 433 GLN H H 433 8.525 8.525 8.285 0.240 19213 7013 1 9 . 1 1 435 435 SER HA H 435 4.074 4.074 4.264 -0.190 19213 7014 1 9 . 1 1 435 435 SER C C 435 178.865 178.865 175.394 3.471 19213 7015 1 9 . 1 1 435 435 SER CA C 435 60.402 60.402 60.624 -0.222 19213 7016 1 9 . 1 1 435 435 SER CB C 435 62.858 62.858 62.530 0.328 19213 7017 1 9 . 1 1 436 436 GLU N N 436 119.935 119.935 121.477 -1.542 19213 7018 1 9 . 1 1 436 436 GLU HA H 436 4.309 4.309 4.299 0.010 19213 7019 1 9 . 1 1 436 436 GLU C C 436 176.654 176.654 175.188 1.466 19213 7020 1 9 . 1 1 436 436 GLU CA C 436 56.095 56.095 55.129 0.966 19213 7021 1 9 . 1 1 436 436 GLU CB C 436 30.278 30.278 29.268 1.010 19213 7022 1 9 . 1 1 436 436 GLU H H 436 7.847 7.847 7.387 0.460 19213 7023 1 9 . 1 1 437 437 LEU N N 437 120.616 120.616 122.010 -1.394 19213 7024 1 9 . 1 1 437 437 LEU CA C 437 55.492 55.492 55.284 0.208 19213 7025 1 9 . 1 1 437 437 LEU CB C 437 43.512 43.512 42.211 1.301 19213 7026 1 9 . 1 1 437 437 LEU H H 437 7.349 7.349 7.056 0.293 19213 7027 1 9 . 1 1 440 440 ARG HA H 440 3.274 3.274 3.844 -0.570 19213 7028 1 9 . 1 1 440 440 ARG C C 440 175.983 175.983 177.763 -1.780 19213 7029 1 9 . 1 1 440 440 ARG CA C 440 60.018 60.018 59.074 0.944 19213 7030 1 9 . 1 1 440 440 ARG CB C 440 30.268 30.268 29.931 0.337 19213 7031 1 9 . 1 1 441 441 GLN N N 441 117.801 117.801 118.436 -0.635 19213 7032 1 9 . 1 1 441 441 GLN HA H 441 3.804 3.804 4.483 -0.679 19213 7033 1 9 . 1 1 441 441 GLN C C 441 178.030 178.030 177.787 0.243 19213 7034 1 9 . 1 1 441 441 GLN CA C 441 58.764 58.764 58.534 0.230 19213 7035 1 9 . 1 1 441 441 GLN CB C 441 27.434 27.434 28.232 -0.798 19213 7036 1 9 . 1 1 441 441 GLN H H 441 8.079 8.079 8.786 -0.707 19213 7037 1 9 . 1 1 442 442 ALA N N 442 120.194 120.194 122.601 -2.407 19213 7038 1 9 . 1 1 442 442 ALA HA H 442 4.123 4.123 4.123 0.000 19213 7039 1 9 . 1 1 442 442 ALA C C 442 181.577 181.577 179.397 2.180 19213 7040 1 9 . 1 1 442 442 ALA CA C 442 54.940 54.940 55.076 -0.136 19213 7041 1 9 . 1 1 442 442 ALA CB C 442 18.705 18.705 18.080 0.625 19213 7042 1 9 . 1 1 442 442 ALA H H 442 7.914 7.914 7.825 0.089 19213 7043 1 9 . 1 1 443 443 ILE N N 443 120.712 120.712 115.839 4.873 19213 7044 1 9 . 1 1 443 443 ILE HA H 443 3.445 3.445 3.510 -0.065 19213 7045 1 9 . 1 1 443 443 ILE C C 443 177.663 177.663 177.783 -0.120 19213 7046 1 9 . 1 1 443 443 ILE CA C 443 65.907 65.907 64.354 1.553 19213 7047 1 9 . 1 1 443 443 ILE CB C 443 37.169 37.169 36.984 0.185 19213 7048 1 9 . 1 1 443 443 ILE H H 443 7.663 7.663 7.235 0.428 19213 7049 1 9 . 1 1 444 444 PHE N N 444 119.033 119.033 118.968 0.065 19213 7050 1 9 . 1 1 444 444 PHE HA H 444 4.311 4.311 4.192 0.119 19213 7051 1 9 . 1 1 444 444 PHE C C 444 178.273 178.273 178.065 0.208 19213 7052 1 9 . 1 1 444 444 PHE CA C 444 58.956 58.956 61.650 -2.694 19213 7053 1 9 . 1 1 444 444 PHE CB C 444 38.154 38.154 38.045 0.109 19213 7054 1 9 . 1 1 444 444 PHE H H 444 8.077 8.077 7.328 0.749 19213 7055 1 9 . 1 1 445 445 GLU N N 445 115.469 115.469 119.950 -4.481 19213 7056 1 9 . 1 1 445 445 GLU HA H 445 4.399 4.399 4.013 0.386 19213 7057 1 9 . 1 1 445 445 GLU C C 445 179.822 179.822 179.006 0.816 19213 7058 1 9 . 1 1 445 445 GLU CA C 445 58.472 58.472 59.711 -1.239 19213 7059 1 9 . 1 1 445 445 GLU CB C 445 28.797 28.797 29.084 -0.287 19213 7060 1 9 . 1 1 445 445 GLU H H 445 8.746 8.746 8.241 0.505 19213 7061 1 9 . 1 1 446 446 THR N N 446 117.987 117.987 114.112 3.875 19213 7062 1 9 . 1 1 446 446 THR HA H 446 4.067 4.067 4.044 0.023 19213 7063 1 9 . 1 1 446 446 THR C C 446 175.802 175.802 176.808 -1.006 19213 7064 1 9 . 1 1 446 446 THR CA C 446 66.959 66.959 66.378 0.581 19213 7065 1 9 . 1 1 446 446 THR CB C 446 68.289 68.289 68.011 0.278 19213 7066 1 9 . 1 1 446 446 THR H H 446 8.139 8.139 7.849 0.290 19213 7067 1 9 . 1 1 447 447 LEU N N 447 122.061 122.061 122.455 -0.394 19213 7068 1 9 . 1 1 447 447 LEU HA H 447 3.874 3.874 4.075 -0.201 19213 7069 1 9 . 1 1 447 447 LEU C C 447 179.377 179.377 179.276 0.101 19213 7070 1 9 . 1 1 447 447 LEU CA C 447 58.858 58.858 57.632 1.226 19213 7071 1 9 . 1 1 447 447 LEU CB C 447 42.709 42.709 41.397 1.312 19213 7072 1 9 . 1 1 447 447 LEU H H 447 8.608 8.608 7.398 1.210 19213 7073 1 9 . 1 1 448 448 VAL N N 448 108.293 108.293 117.865 -9.572 19213 7074 1 9 . 1 1 448 448 VAL HA H 448 3.973 3.973 3.708 0.265 19213 7075 1 9 . 1 1 448 448 VAL C C 448 177.414 177.414 177.714 -0.300 19213 7076 1 9 . 1 1 448 448 VAL CA C 448 64.624 64.624 66.439 -1.815 19213 7077 1 9 . 1 1 448 448 VAL CB C 448 29.895 29.895 31.044 -1.149 19213 7078 1 9 . 1 1 448 448 VAL H H 448 7.783 7.783 7.985 -0.202 19213 7079 1 9 . 1 1 449 449 ALA N N 449 124.901 124.901 123.217 1.684 19213 7080 1 9 . 1 1 449 449 ALA HA H 449 4.291 4.291 4.023 0.268 19213 7081 1 9 . 1 1 449 449 ALA C C 449 181.177 181.177 179.359 1.818 19213 7082 1 9 . 1 1 449 449 ALA CA C 449 55.144 55.144 55.495 -0.351 19213 7083 1 9 . 1 1 449 449 ALA CB C 449 18.558 18.558 18.422 0.136 19213 7084 1 9 . 1 1 449 449 ALA H H 449 7.477 7.477 8.649 -1.172 19213 7085 1 9 . 1 1 450 450 LYS N N 450 118.438 118.438 118.540 -0.102 19213 7086 1 9 . 1 1 450 450 LYS HA H 450 4.194 4.194 4.057 0.137 19213 7087 1 9 . 1 1 450 450 LYS C C 450 180.027 180.027 179.219 0.808 19213 7088 1 9 . 1 1 450 450 LYS CA C 450 58.274 58.274 59.408 -1.134 19213 7089 1 9 . 1 1 450 450 LYS CB C 450 31.673 31.673 32.459 -0.786 19213 7090 1 9 . 1 1 450 450 LYS H H 450 8.835 8.835 8.517 0.318 19213 7091 1 9 . 1 1 451 451 GLY N N 451 108.035 108.035 107.416 0.619 19213 7092 1 9 . 1 1 451 451 GLY C C 451 173.706 173.706 176.046 -2.340 19213 7093 1 9 . 1 1 451 451 GLY CA C 451 47.992 47.992 47.241 0.751 19213 7094 1 9 . 1 1 451 451 GLY H H 451 8.765 8.765 8.521 0.244 19213 7095 1 9 . 1 1 452 452 ARG N N 452 122.460 122.460 120.109 2.351 19213 7096 1 9 . 1 1 452 452 ARG HA H 452 4.080 4.080 4.303 -0.223 19213 7097 1 9 . 1 1 452 452 ARG C C 452 178.863 178.863 178.600 0.263 19213 7098 1 9 . 1 1 452 452 ARG CA C 452 60.572 60.572 58.830 1.742 19213 7099 1 9 . 1 1 452 452 ARG CB C 452 30.407 30.407 29.995 0.412 19213 7100 1 9 . 1 1 452 452 ARG H H 452 8.272 8.272 7.826 0.446 19213 7101 1 9 . 1 1 453 453 GLU N N 453 119.784 119.784 120.493 -0.709 19213 7102 1 9 . 1 1 453 453 GLU HA H 453 4.096 4.096 4.210 -0.114 19213 7103 1 9 . 1 1 453 453 GLU C C 453 178.778 178.778 178.336 0.442 19213 7104 1 9 . 1 1 453 453 GLU CA C 453 59.023 59.023 58.322 0.701 19213 7105 1 9 . 1 1 453 453 GLU CB C 453 30.241 30.241 29.681 0.560 19213 7106 1 9 . 1 1 453 453 GLU H H 453 7.894 7.894 7.772 0.122 19213 7107 1 9 . 1 1 454 454 LEU N N 454 119.313 119.313 118.309 1.004 19213 7108 1 9 . 1 1 454 454 LEU HA H 454 4.171 4.171 4.054 0.117 19213 7109 1 9 . 1 1 454 454 LEU C C 454 178.457 178.457 178.898 -0.441 19213 7110 1 9 . 1 1 454 454 LEU CA C 454 57.869 57.869 57.385 0.484 19213 7111 1 9 . 1 1 454 454 LEU CB C 454 42.922 42.922 42.115 0.807 19213 7112 1 9 . 1 1 454 454 LEU H H 454 8.328 8.328 8.357 -0.029 19213 7113 1 9 . 1 1 455 455 LEU N N 455 113.192 113.192 115.215 -2.023 19213 7114 1 9 . 1 1 455 455 LEU HA H 455 4.380 4.380 4.338 0.042 19213 7115 1 9 . 1 1 455 455 LEU C C 455 176.795 176.795 176.462 0.333 19213 7116 1 9 . 1 1 455 455 LEU CA C 455 54.643 54.643 54.319 0.324 19213 7117 1 9 . 1 1 455 455 LEU CB C 455 43.897 43.897 42.388 1.509 19213 7118 1 9 . 1 1 455 455 LEU H H 455 7.424 7.424 7.279 0.145 19213 7119 1 9 . 1 1 456 456 ALA N N 456 124.175 124.175 119.652 4.523 19213 7120 1 9 . 1 1 456 456 ALA HA H 456 4.244 4.244 4.117 0.127 19213 7121 1 9 . 1 1 456 456 ALA C C 456 177.051 177.051 176.696 0.355 19213 7122 1 9 . 1 1 456 456 ALA CA C 456 52.975 52.975 52.618 0.356 19213 7123 1 9 . 1 1 456 456 ALA CB C 456 16.514 16.514 16.355 0.159 19213 7124 1 9 . 1 1 456 456 ALA H H 456 8.573 8.573 7.765 0.808 19213 7125 1 9 . 1 1 457 457 CYS N N 457 111.282 111.282 118.610 -7.328 19213 7126 1 9 . 1 1 457 457 CYS HA H 457 5.592 5.592 4.595 0.997 19213 7127 1 9 . 1 1 457 457 CYS C C 457 172.935 172.935 175.033 -2.098 19213 7128 1 9 . 1 1 457 457 CYS CA C 457 54.876 54.876 58.647 -3.771 19213 7129 1 9 . 1 1 457 457 CYS CB C 457 29.887 29.887 29.516 0.371 19213 7130 1 9 . 1 1 457 457 CYS H H 457 7.000 7.000 8.163 -1.163 19213 7131 1 9 . 1 1 458 458 ASP N N 458 117.373 117.373 122.039 -4.666 19213 7132 1 9 . 1 1 458 458 ASP HA H 458 4.834 4.834 4.657 0.177 19213 7133 1 9 . 1 1 458 458 ASP C C 458 175.463 175.463 175.477 -0.014 19213 7134 1 9 . 1 1 458 458 ASP CA C 458 57.972 57.972 56.490 1.482 19213 7135 1 9 . 1 1 458 458 ASP CB C 458 42.753 42.753 41.530 1.223 19213 7136 1 9 . 1 1 458 458 ASP H H 458 7.265 7.265 8.399 -1.134 19213 7137 1 9 . 1 1 459 459 ARG N N 459 117.328 117.328 118.263 -0.935 19213 7138 1 9 . 1 1 459 459 ARG HA H 459 5.511 5.511 4.926 0.585 19213 7139 1 9 . 1 1 459 459 ARG C C 459 174.652 174.652 173.415 1.237 19213 7140 1 9 . 1 1 459 459 ARG CA C 459 55.593 55.593 55.278 0.315 19213 7141 1 9 . 1 1 459 459 ARG CB C 459 35.294 35.294 33.558 1.736 19213 7142 1 9 . 1 1 459 459 ARG H H 459 8.099 8.099 7.528 0.571 19213 7143 1 9 . 1 1 460 460 VAL N N 460 127.029 127.029 125.163 1.866 19213 7144 1 9 . 1 1 460 460 VAL HA H 460 5.182 5.182 4.392 0.790 19213 7145 1 9 . 1 1 460 460 VAL C C 460 174.538 174.538 172.686 1.852 19213 7146 1 9 . 1 1 460 460 VAL CA C 460 61.684 61.684 61.117 0.567 19213 7147 1 9 . 1 1 460 460 VAL CB C 460 35.157 35.157 35.938 -0.780 19213 7148 1 9 . 1 1 460 460 VAL H H 460 9.215 9.215 8.498 0.717 19213 7149 1 9 . 1 1 461 461 ILE N N 461 118.191 118.191 127.942 -9.751 19213 7150 1 9 . 1 1 461 461 ILE HA H 461 5.269 5.269 4.537 0.732 19213 7151 1 9 . 1 1 461 461 ILE C C 461 174.436 174.436 173.011 1.425 19213 7152 1 9 . 1 1 461 461 ILE CA C 461 58.897 58.897 58.646 0.251 19213 7153 1 9 . 1 1 461 461 ILE CB C 461 41.973 41.973 41.684 0.289 19213 7154 1 9 . 1 1 461 461 ILE H H 461 9.051 9.051 8.234 0.817 19213 7155 1 9 . 1 1 462 462 VAL N N 462 119.036 119.036 126.875 -7.839 19213 7156 1 9 . 1 1 462 462 VAL HA H 462 4.218 4.218 4.515 -0.297 19213 7157 1 9 . 1 1 462 462 VAL C C 462 173.040 173.040 174.262 -1.222 19213 7158 1 9 . 1 1 462 462 VAL CA C 462 62.382 62.382 60.139 2.243 19213 7159 1 9 . 1 1 462 462 VAL CB C 462 33.016 33.016 33.703 -0.687 19213 7160 1 9 . 1 1 462 462 VAL H H 462 7.266 7.266 8.022 -0.756 19213 7161 1 9 . 1 1 463 463 TYR N N 463 131.813 131.813 122.768 9.045 19213 7162 1 9 . 1 1 463 463 TYR HA H 463 4.634 4.634 5.140 -0.506 19213 7163 1 9 . 1 1 463 463 TYR C C 463 172.062 172.062 172.561 -0.499 19213 7164 1 9 . 1 1 463 463 TYR CA C 463 54.971 54.971 54.894 0.077 19213 7165 1 9 . 1 1 463 463 TYR CB C 463 40.572 40.572 41.518 -0.946 19213 7166 1 9 . 1 1 463 463 TYR H H 463 8.796 8.796 7.533 1.263 19213 7167 1 9 . 1 1 464 464 ALA N N 464 127.309 127.309 121.382 5.927 19213 7168 1 9 . 1 1 464 464 ALA HA H 464 3.810 3.810 4.148 -0.338 19213 7169 1 9 . 1 1 464 464 ALA C C 464 176.605 176.605 175.745 0.860 19213 7170 1 9 . 1 1 464 464 ALA CA C 464 50.931 50.931 49.804 1.127 19213 7171 1 9 . 1 1 464 464 ALA CB C 464 21.945 21.945 20.544 1.401 19213 7172 1 9 . 1 1 464 464 ALA H H 464 8.423 8.423 8.268 0.155 19213 7173 1 9 . 1 1 465 465 PHE N N 465 119.567 119.567 121.388 -1.821 19213 7174 1 9 . 1 1 465 465 PHE HA H 465 4.635 4.635 4.498 0.137 19213 7175 1 9 . 1 1 465 465 PHE C C 465 176.576 176.576 175.474 1.102 19213 7176 1 9 . 1 1 465 465 PHE CA C 465 57.430 57.430 59.930 -2.500 19213 7177 1 9 . 1 1 465 465 PHE CB C 465 41.434 41.434 40.142 1.292 19213 7178 1 9 . 1 1 465 465 PHE H H 465 7.687 7.687 8.691 -1.004 19213 7179 1 9 . 1 1 466 466 ASP N N 466 120.914 120.914 123.608 -2.694 19213 7180 1 9 . 1 1 466 466 ASP HA H 466 4.699 4.699 4.857 -0.158 19213 7181 1 9 . 1 1 466 466 ASP C C 466 178.481 178.481 176.991 1.490 19213 7182 1 9 . 1 1 466 466 ASP CA C 466 51.837 51.837 53.012 -1.175 19213 7183 1 9 . 1 1 466 466 ASP CB C 466 40.950 40.950 42.708 -1.758 19213 7184 1 9 . 1 1 466 466 ASP H H 466 7.829 7.829 8.125 -0.296 19213 7185 1 9 . 1 1 467 467 ASP N N 467 115.889 115.889 119.883 -3.994 19213 7186 1 9 . 1 1 467 467 ASP HA H 467 4.018 4.018 4.653 -0.635 19213 7187 1 9 . 1 1 467 467 ASP C C 467 176.022 176.022 176.040 -0.018 19213 7188 1 9 . 1 1 467 467 ASP CA C 467 56.052 56.052 56.146 -0.094 19213 7189 1 9 . 1 1 467 467 ASP CB C 467 40.144 40.144 40.753 -0.609 19213 7190 1 9 . 1 1 467 467 ASP H H 467 8.138 8.138 8.802 -0.664 19213 7191 1 9 . 1 1 468 468 ASN N N 468 116.903 116.903 117.386 -0.483 19213 7192 1 9 . 1 1 468 468 ASN HA H 468 4.954 4.954 4.899 0.055 19213 7193 1 9 . 1 1 468 468 ASN C C 468 174.155 174.155 174.891 -0.736 19213 7194 1 9 . 1 1 468 468 ASN CA C 468 52.052 52.052 52.444 -0.392 19213 7195 1 9 . 1 1 468 468 ASN CB C 468 39.733 39.733 37.977 1.756 19213 7196 1 9 . 1 1 468 468 ASN H H 468 8.076 8.076 8.277 -0.201 19213 7197 1 9 . 1 1 469 469 TYR N N 469 112.788 112.788 114.608 -1.820 19213 7198 1 9 . 1 1 469 469 TYR HA H 469 3.249 3.249 4.179 -0.930 19213 7199 1 9 . 1 1 469 469 TYR C C 469 175.377 175.377 174.130 1.247 19213 7200 1 9 . 1 1 469 469 TYR CA C 469 61.891 61.891 59.182 2.709 19213 7201 1 9 . 1 1 469 469 TYR CB C 469 34.352 34.352 36.277 -1.925 19213 7202 1 9 . 1 1 469 469 TYR H H 469 7.785 7.785 7.744 0.041 19213 7203 1 9 . 1 1 470 470 VAL N N 470 122.718 122.718 118.171 4.547 19213 7204 1 9 . 1 1 470 470 VAL HA H 470 4.010 4.010 4.223 -0.213 19213 7205 1 9 . 1 1 470 470 VAL CA C 470 63.699 63.699 61.053 2.646 19213 7206 1 9 . 1 1 470 470 VAL CB C 470 30.721 30.721 33.138 -2.417 19213 7207 1 9 . 1 1 470 470 VAL H H 470 8.666 8.666 7.596 1.070 19213 7208 1 9 . 1 1 471 471 GLY C C 471 170.959 170.959 173.220 -2.261 19213 7209 1 9 . 1 1 471 471 GLY CA C 471 43.674 43.674 43.672 0.002 19213 7210 1 9 . 1 1 472 472 THR N N 472 118.003 118.003 115.767 2.236 19213 7211 1 9 . 1 1 472 472 THR HA H 472 4.931 4.931 4.530 0.401 19213 7212 1 9 . 1 1 472 472 THR C C 472 174.282 174.282 174.108 0.174 19213 7213 1 9 . 1 1 472 472 THR CA C 472 61.142 61.142 61.889 -0.747 19213 7214 1 9 . 1 1 472 472 THR CB C 472 70.941 70.941 71.040 -0.099 19213 7215 1 9 . 1 1 472 472 THR H H 472 8.150 8.150 7.990 0.160 19213 7216 1 9 . 1 1 473 473 VAL N N 473 126.802 126.802 130.530 -3.728 19213 7217 1 9 . 1 1 473 473 VAL HA H 473 4.552 4.552 4.134 0.418 19213 7218 1 9 . 1 1 473 473 VAL C C 473 175.472 175.472 176.359 -0.887 19213 7219 1 9 . 1 1 473 473 VAL CA C 473 62.066 62.066 63.359 -1.293 19213 7220 1 9 . 1 1 473 473 VAL CB C 473 29.572 29.572 30.077 -0.505 19213 7221 1 9 . 1 1 473 473 VAL H H 473 8.740 8.740 9.243 -0.503 19213 7222 1 9 . 1 1 474 474 VAL N N 474 122.729 122.729 122.810 -0.081 19213 7223 1 9 . 1 1 474 474 VAL HA H 474 4.394 4.394 4.040 0.354 19213 7224 1 9 . 1 1 474 474 VAL C C 474 175.653 175.653 174.564 1.089 19213 7225 1 9 . 1 1 474 474 VAL CA C 474 62.168 62.168 62.896 -0.728 19213 7226 1 9 . 1 1 474 474 VAL CB C 474 32.041 32.041 31.742 0.299 19213 7227 1 9 . 1 1 474 474 VAL H H 474 7.753 7.753 8.007 -0.254 19213 7228 1 9 . 1 1 475 475 ALA N N 475 117.768 117.768 119.772 -2.004 19213 7229 1 9 . 1 1 475 475 ALA HA H 475 4.493 4.493 4.669 -0.176 19213 7230 1 9 . 1 1 475 475 ALA C C 475 174.317 174.317 174.596 -0.279 19213 7231 1 9 . 1 1 475 475 ALA CA C 475 52.144 52.144 51.962 0.182 19213 7232 1 9 . 1 1 475 475 ALA CB C 475 23.434 23.434 21.468 1.966 19213 7233 1 9 . 1 1 475 475 ALA H H 475 7.366 7.366 7.083 0.283 19213 7234 1 9 . 1 1 476 476 GLU N N 476 122.294 122.294 121.178 1.116 19213 7235 1 9 . 1 1 476 476 GLU HA H 476 5.143 5.143 4.698 0.445 19213 7236 1 9 . 1 1 476 476 GLU C C 476 173.452 173.452 174.337 -0.885 19213 7237 1 9 . 1 1 476 476 GLU CA C 476 55.216 55.216 55.989 -0.773 19213 7238 1 9 . 1 1 476 476 GLU CB C 476 36.288 36.288 33.583 2.705 19213 7239 1 9 . 1 1 476 476 GLU H H 476 8.455 8.455 8.627 -0.172 19213 7240 1 9 . 1 1 477 477 SER N N 477 121.014 121.014 119.721 1.293 19213 7241 1 9 . 1 1 477 477 SER HA H 477 4.910 4.910 5.016 -0.106 19213 7242 1 9 . 1 1 477 477 SER C C 477 173.417 173.417 172.416 1.001 19213 7243 1 9 . 1 1 477 477 SER CA C 477 56.576 56.576 57.577 -1.001 19213 7244 1 9 . 1 1 477 477 SER CB C 477 63.836 63.836 65.853 -2.017 19213 7245 1 9 . 1 1 477 477 SER H H 477 8.867 8.867 8.520 0.347 19213 7246 1 9 . 1 1 478 478 VAL N N 478 128.791 128.791 119.978 8.813 19213 7247 1 9 . 1 1 478 478 VAL HA H 478 5.361 5.361 4.714 0.647 19213 7248 1 9 . 1 1 478 478 VAL C C 478 172.729 172.729 175.354 -2.625 19213 7249 1 9 . 1 1 478 478 VAL CA C 478 58.657 58.657 59.879 -1.222 19213 7250 1 9 . 1 1 478 478 VAL CB C 478 35.971 35.971 35.687 0.284 19213 7251 1 9 . 1 1 478 478 VAL H H 478 9.143 9.143 8.290 0.853 19213 7252 1 9 . 1 1 479 479 ALA N N 479 129.671 129.671 127.736 1.935 19213 7253 1 9 . 1 1 479 479 ALA HA H 479 4.373 4.373 4.459 -0.086 19213 7254 1 9 . 1 1 479 479 ALA C C 479 176.732 176.732 177.182 -0.450 19213 7255 1 9 . 1 1 479 479 ALA CA C 479 52.231 52.231 52.430 -0.199 19213 7256 1 9 . 1 1 479 479 ALA CB C 479 20.053 20.053 19.791 0.262 19213 7257 1 9 . 1 1 479 479 ALA H H 479 8.632 8.632 8.415 0.217 19213 7258 1 9 . 1 1 480 480 GLU N N 480 120.434 120.434 119.138 1.296 19213 7259 1 9 . 1 1 480 480 GLU HA H 480 4.028 4.028 4.061 -0.033 19213 7260 1 9 . 1 1 480 480 GLU C C 480 177.151 177.151 176.755 0.396 19213 7261 1 9 . 1 1 480 480 GLU CA C 480 58.179 58.179 57.365 0.814 19213 7262 1 9 . 1 1 480 480 GLU CB C 480 29.797 29.797 29.220 0.577 19213 7263 1 9 . 1 1 480 480 GLU H H 480 8.558 8.558 8.530 0.028 19213 7264 1 9 . 1 1 481 481 GLY N N 481 110.914 110.914 111.972 -1.058 19213 7265 1 9 . 1 1 481 481 GLY C C 481 174.073 174.073 173.774 0.299 19213 7266 1 9 . 1 1 481 481 GLY CA C 481 44.681 44.681 44.137 0.544 19213 7267 1 9 . 1 1 481 481 GLY H H 481 8.539 8.539 8.558 -0.019 19213 7268 1 9 . 1 1 482 482 TRP N N 482 119.508 119.508 122.039 -2.531 19213 7269 1 9 . 1 1 482 482 TRP HA H 482 5.290 5.290 5.013 0.277 19213 7270 1 9 . 1 1 482 482 TRP CA C 482 53.659 53.659 54.328 -0.668 19213 7271 1 9 . 1 1 482 482 TRP CB C 482 29.487 29.487 29.603 -0.116 19213 7272 1 9 . 1 1 482 482 TRP H H 482 7.009 7.009 7.197 -0.188 19213 7273 1 9 . 1 1 483 483 PRO HA H 483 4.426 4.426 4.576 -0.150 19213 7274 1 9 . 1 1 483 483 PRO C C 483 175.722 175.722 175.676 0.046 19213 7275 1 9 . 1 1 483 483 PRO CA C 483 63.259 63.259 62.597 0.662 19213 7276 1 9 . 1 1 483 483 PRO CB C 483 33.238 33.238 32.499 0.739 19213 7277 1 9 . 1 1 484 484 GLN N N 484 121.488 121.488 122.593 -1.105 19213 7278 1 9 . 1 1 484 484 GLN HA H 484 4.936 4.936 4.365 0.571 19213 7279 1 9 . 1 1 484 484 GLN C C 484 176.405 176.405 175.300 1.105 19213 7280 1 9 . 1 1 484 484 GLN CA C 484 55.688 55.688 55.683 0.005 19213 7281 1 9 . 1 1 484 484 GLN CB C 484 29.565 29.565 30.176 -0.611 19213 7282 1 9 . 1 1 484 484 GLN H H 484 8.646 8.646 8.545 0.101 19213 7283 1 9 . 1 1 485 485 ALA N N 485 133.617 133.617 126.120 7.497 19213 7284 1 9 . 1 1 485 485 ALA HA H 485 4.340 4.340 4.598 -0.258 19213 7285 1 9 . 1 1 485 485 ALA C C 485 176.317 176.317 176.407 -0.090 19213 7286 1 9 . 1 1 485 485 ALA CA C 485 51.289 51.289 51.911 -0.622 19213 7287 1 9 . 1 1 485 485 ALA CB C 485 20.581 20.581 19.826 0.755 19213 7288 1 9 . 1 1 485 485 ALA H H 485 11.964 11.964 8.426 3.538 19213 7289 1 9 . 1 1 486 486 ARG N N 486 119.720 119.720 119.647 0.073 19213 7290 1 9 . 1 1 486 486 ARG HA H 486 3.300 3.300 4.045 -0.745 19213 7291 1 9 . 1 1 486 486 ARG C C 486 175.502 175.502 175.570 -0.068 19213 7292 1 9 . 1 1 486 486 ARG CA C 486 59.200 59.200 56.451 2.749 19213 7293 1 9 . 1 1 486 486 ARG CB C 486 30.648 30.648 28.828 1.820 19213 7294 1 9 . 1 1 486 486 ARG H H 486 8.235 8.235 8.199 0.036 19213 7295 1 9 . 1 1 487 487 ASP N N 487 119.936 119.936 120.684 -0.748 19213 7296 1 9 . 1 1 487 487 ASP HA H 487 4.141 4.141 4.128 0.013 19213 7297 1 9 . 1 1 487 487 ASP C C 487 175.557 175.557 174.599 0.958 19213 7298 1 9 . 1 1 487 487 ASP CA C 487 57.148 57.148 55.741 1.407 19213 7299 1 9 . 1 1 487 487 ASP CB C 487 39.031 39.031 40.507 -1.476 19213 7300 1 9 . 1 1 487 487 ASP H H 487 9.023 9.023 9.068 -0.045 19213 7301 1 9 . 1 1 488 488 GLN N N 488 119.954 119.954 117.876 2.078 19213 7302 1 9 . 1 1 488 488 GLN HA H 488 4.147 4.147 4.564 -0.417 19213 7303 1 9 . 1 1 488 488 GLN C C 488 174.993 174.993 174.675 0.318 19213 7304 1 9 . 1 1 488 488 GLN CA C 488 57.475 57.475 54.755 2.720 19213 7305 1 9 . 1 1 488 488 GLN CB C 488 28.866 28.866 31.235 -2.369 19213 7306 1 9 . 1 1 488 488 GLN H H 488 8.200 8.200 7.668 0.532 19213 7307 1 9 . 1 1 489 489 VAL N N 489 124.202 124.202 118.830 5.372 19213 7308 1 9 . 1 1 489 489 VAL HA H 489 4.593 4.593 4.541 0.052 19213 7309 1 9 . 1 1 489 489 VAL C C 489 177.060 177.060 174.659 2.401 19213 7310 1 9 . 1 1 489 489 VAL CA C 489 61.871 61.871 60.218 1.653 19213 7311 1 9 . 1 1 489 489 VAL CB C 489 32.575 32.575 32.909 -0.334 19213 7312 1 9 . 1 1 489 489 VAL H H 489 8.379 8.379 8.397 -0.018 19213 7313 1 9 . 1 1 490 490 ILE N N 490 128.772 128.772 126.615 2.157 19213 7314 1 9 . 1 1 490 490 ILE HA H 490 4.433 4.433 4.160 0.273 19213 7315 1 9 . 1 1 490 490 ILE C C 490 174.634 174.634 174.723 -0.089 19213 7316 1 9 . 1 1 490 490 ILE CA C 490 60.464 60.464 60.603 -0.139 19213 7317 1 9 . 1 1 490 490 ILE CB C 490 41.025 41.025 37.952 3.073 19213 7318 1 9 . 1 1 490 490 ILE H H 490 8.952 8.952 8.352 0.600 19213 7319 1 9 . 1 1 491 491 GLU N N 491 130.867 130.867 126.909 3.958 19213 7320 1 9 . 1 1 491 491 GLU HA H 491 4.598 4.598 4.538 0.060 19213 7321 1 9 . 1 1 491 491 GLU C C 491 174.015 174.015 174.861 -0.846 19213 7322 1 9 . 1 1 491 491 GLU CA C 491 55.930 55.930 55.056 0.874 19213 7323 1 9 . 1 1 491 491 GLU CB C 491 28.942 28.942 30.133 -1.191 19213 7324 1 9 . 1 1 491 491 GLU H H 491 9.289 9.289 8.726 0.563 19213 7325 1 9 . 1 1 492 492 ASP N N 492 130.401 130.401 124.175 6.226 19213 7326 1 9 . 1 1 492 492 ASP HA H 492 5.210 5.210 5.014 0.196 19213 7327 1 9 . 1 1 492 492 ASP CA C 492 50.160 50.160 51.192 -1.032 19213 7328 1 9 . 1 1 492 492 ASP CB C 492 43.965 43.965 42.502 1.463 19213 7329 1 9 . 1 1 492 492 ASP H H 492 9.437 9.437 8.343 1.094 19213 7330 1 9 . 1 1 493 493 PRO HA H 493 4.359 4.359 4.348 0.011 19213 7331 1 9 . 1 1 493 493 PRO C C 493 176.079 176.079 176.028 0.051 19213 7332 1 9 . 1 1 493 493 PRO CA C 493 63.617 63.617 63.227 0.390 19213 7333 1 9 . 1 1 493 493 PRO CB C 493 33.300 33.300 30.085 3.215 19213 7334 1 9 . 1 1 494 494 CYS N N 494 117.251 117.251 118.078 -0.827 19213 7335 1 9 . 1 1 494 494 CYS HA H 494 4.147 4.147 4.525 -0.378 19213 7336 1 9 . 1 1 494 494 CYS C C 494 176.789 176.789 176.498 0.291 19213 7337 1 9 . 1 1 494 494 CYS CA C 494 58.195 58.195 60.096 -1.901 19213 7338 1 9 . 1 1 494 494 CYS CB C 494 33.343 33.343 28.973 4.370 19213 7339 1 9 . 1 1 494 494 CYS H H 494 8.806 8.806 8.152 0.654 19213 7340 1 9 . 1 1 495 495 PHE N N 495 118.785 118.785 120.711 -1.926 19213 7341 1 9 . 1 1 495 495 PHE HA H 495 4.328 4.328 4.625 -0.297 19213 7342 1 9 . 1 1 495 495 PHE C C 495 176.529 176.529 177.911 -1.382 19213 7343 1 9 . 1 1 495 495 PHE CA C 495 63.265 63.265 59.871 3.394 19213 7344 1 9 . 1 1 495 495 PHE CB C 495 37.239 37.239 37.728 -0.489 19213 7345 1 9 . 1 1 495 495 PHE H H 495 6.799 6.799 8.320 -1.521 19213 7346 1 9 . 1 1 496 496 ARG N N 496 118.755 118.755 119.327 -0.572 19213 7347 1 9 . 1 1 496 496 ARG HA H 496 3.692 3.692 3.339 0.353 19213 7348 1 9 . 1 1 496 496 ARG C C 496 178.119 178.119 176.460 1.659 19213 7349 1 9 . 1 1 496 496 ARG CA C 496 58.495 58.495 58.011 0.484 19213 7350 1 9 . 1 1 496 496 ARG CB C 496 29.942 29.942 28.370 1.572 19213 7351 1 9 . 1 1 496 496 ARG H H 496 9.000 9.000 6.099 2.901 19213 7352 1 9 . 1 1 497 497 GLU N N 497 115.895 115.895 118.454 -2.559 19213 7353 1 9 . 1 1 497 497 GLU HA H 497 3.858 3.858 4.153 -0.295 19213 7354 1 9 . 1 1 497 497 GLU C C 497 177.981 177.981 177.075 0.906 19213 7355 1 9 . 1 1 497 497 GLU CA C 497 58.920 58.920 57.840 1.080 19213 7356 1 9 . 1 1 497 497 GLU CB C 497 29.841 29.841 29.938 -0.097 19213 7357 1 9 . 1 1 497 497 GLU H H 497 7.849 7.849 7.880 -0.031 19213 7358 1 9 . 1 1 498 498 HIS N N 498 111.119 111.119 116.049 -4.930 19213 7359 1 9 . 1 1 498 498 HIS HA H 498 4.710 4.710 4.647 0.063 19213 7360 1 9 . 1 1 498 498 HIS CA C 498 55.904 55.904 57.755 -1.851 19213 7361 1 9 . 1 1 498 498 HIS CB C 498 30.890 30.890 30.509 0.381 19213 7362 1 9 . 1 1 498 498 HIS H H 498 7.717 7.717 7.234 0.483 19213 7363 1 9 . 1 1 499 499 TRP HA H 499 5.476 5.476 4.698 0.778 19213 7364 1 9 . 1 1 499 499 TRP C C 499 176.398 176.398 177.474 -1.076 19213 7365 1 9 . 1 1 499 499 TRP CA C 499 58.111 58.111 60.062 -1.952 19213 7366 1 9 . 1 1 499 499 TRP CB C 499 34.294 34.294 28.863 5.431 19213 7367 1 9 . 1 1 500 500 VAL N N 500 121.907 121.907 122.036 -0.129 19213 7368 1 9 . 1 1 500 500 VAL HA H 500 3.421 3.421 3.405 0.016 19213 7369 1 9 . 1 1 500 500 VAL C C 500 177.163 177.163 177.142 0.021 19213 7370 1 9 . 1 1 500 500 VAL CA C 500 68.043 68.043 67.089 0.954 19213 7371 1 9 . 1 1 500 500 VAL CB C 500 31.127 31.127 31.905 -0.778 19213 7372 1 9 . 1 1 500 500 VAL H H 500 8.071 8.071 7.630 0.441 19213 7373 1 9 . 1 1 501 501 GLU N N 501 117.634 117.634 120.001 -2.367 19213 7374 1 9 . 1 1 501 501 GLU HA H 501 4.130 4.130 3.893 0.237 19213 7375 1 9 . 1 1 501 501 GLU C C 501 178.314 178.314 178.380 -0.066 19213 7376 1 9 . 1 1 501 501 GLU CA C 501 58.781 58.781 59.536 -0.755 19213 7377 1 9 . 1 1 501 501 GLU CB C 501 28.631 28.631 29.339 -0.708 19213 7378 1 9 . 1 1 501 501 GLU H H 501 8.188 8.188 8.619 -0.431 19213 7379 1 9 . 1 1 502 502 ALA N N 502 120.830 120.830 121.006 -0.176 19213 7380 1 9 . 1 1 502 502 ALA HA H 502 4.106 4.106 4.093 0.013 19213 7381 1 9 . 1 1 502 502 ALA C C 502 181.963 181.963 180.248 1.715 19213 7382 1 9 . 1 1 502 502 ALA CA C 502 54.953 54.953 55.001 -0.048 19213 7383 1 9 . 1 1 502 502 ALA CB C 502 18.558 18.558 18.115 0.443 19213 7384 1 9 . 1 1 502 502 ALA H H 502 7.996 7.996 8.159 -0.163 19213 7385 1 9 . 1 1 503 503 TYR N N 503 118.238 118.238 119.233 -0.995 19213 7386 1 9 . 1 1 503 503 TYR HA H 503 4.362 4.362 4.388 -0.026 19213 7387 1 9 . 1 1 503 503 TYR C C 503 178.723 178.723 179.081 -0.358 19213 7388 1 9 . 1 1 503 503 TYR CA C 503 64.148 64.148 60.070 4.078 19213 7389 1 9 . 1 1 503 503 TYR CB C 503 39.126 39.126 37.988 1.138 19213 7390 1 9 . 1 1 503 503 TYR H H 503 8.665 8.665 8.017 0.648 19213 7391 1 9 . 1 1 504 504 ARG N N 504 121.723 121.723 116.497 5.226 19213 7392 1 9 . 1 1 504 504 ARG HA H 504 3.905 3.905 4.067 -0.162 19213 7393 1 9 . 1 1 504 504 ARG C C 504 177.714 177.714 177.672 0.042 19213 7394 1 9 . 1 1 504 504 ARG CA C 504 59.679 59.679 58.693 0.986 19213 7395 1 9 . 1 1 504 504 ARG CB C 504 30.495 30.495 29.335 1.160 19213 7396 1 9 . 1 1 504 504 ARG H H 504 8.824 8.824 7.835 0.989 19213 7397 1 9 . 1 1 505 505 GLN N N 505 113.473 113.473 115.656 -2.183 19213 7398 1 9 . 1 1 505 505 GLN HA H 505 4.332 4.332 4.358 -0.026 19213 7399 1 9 . 1 1 505 505 GLN C C 505 176.403 176.403 176.776 -0.373 19213 7400 1 9 . 1 1 505 505 GLN CA C 505 55.387 55.387 55.324 0.063 19213 7401 1 9 . 1 1 505 505 GLN CB C 505 28.792 28.792 28.881 -0.089 19213 7402 1 9 . 1 1 505 505 GLN H H 505 7.613 7.613 7.586 0.027 19213 7403 1 9 . 1 1 506 506 GLY N N 506 106.968 106.968 107.420 -0.452 19213 7404 1 9 . 1 1 506 506 GLY C C 506 174.133 174.133 174.044 0.089 19213 7405 1 9 . 1 1 506 506 GLY CA C 506 45.874 45.874 44.898 0.976 19213 7406 1 9 . 1 1 506 506 GLY H H 506 7.867 7.867 8.315 -0.448 19213 7407 1 9 . 1 1 507 507 ARG N N 507 123.761 123.761 120.114 3.647 19213 7408 1 9 . 1 1 507 507 ARG HA H 507 3.717 3.717 4.519 -0.802 19213 7409 1 9 . 1 1 507 507 ARG C C 507 171.000 171.000 176.121 -5.121 19213 7410 1 9 . 1 1 507 507 ARG CA C 507 58.285 58.285 55.474 2.811 19213 7411 1 9 . 1 1 507 507 ARG CB C 507 29.901 29.901 31.699 -1.798 19213 7412 1 9 . 1 1 507 507 ARG H H 507 7.858 7.858 7.753 0.105 19213 7413 1 9 . 1 1 508 508 ILE N N 508 119.641 119.641 114.840 4.801 19213 7414 1 9 . 1 1 508 508 ILE HA H 508 4.859 4.859 4.606 0.253 19213 7415 1 9 . 1 1 508 508 ILE C C 508 176.521 176.521 174.843 1.678 19213 7416 1 9 . 1 1 508 508 ILE CA C 508 59.199 59.199 59.211 -0.012 19213 7417 1 9 . 1 1 508 508 ILE CB C 508 42.573 42.573 41.804 0.769 19213 7418 1 9 . 1 1 508 508 ILE H H 508 7.180 7.180 7.997 -0.817 19213 7419 1 9 . 1 1 509 509 GLN N N 509 125.871 125.871 122.651 3.220 19213 7420 1 9 . 1 1 509 509 GLN HA H 509 4.918 4.918 4.575 0.343 19213 7421 1 9 . 1 1 509 509 GLN C C 509 173.750 173.750 173.806 -0.056 19213 7422 1 9 . 1 1 509 509 GLN CA C 509 54.255 54.255 54.574 -0.319 19213 7423 1 9 . 1 1 509 509 GLN CB C 509 32.267 32.267 31.991 0.275 19213 7424 1 9 . 1 1 509 509 GLN H H 509 8.536 8.536 8.278 0.258 19213 7425 1 9 . 1 1 510 510 ALA N N 510 133.952 133.952 130.331 3.621 19213 7426 1 9 . 1 1 510 510 ALA HA H 510 4.946 4.946 5.784 -0.838 19213 7427 1 9 . 1 1 510 510 ALA C C 510 175.742 175.742 176.852 -1.110 19213 7428 1 9 . 1 1 510 510 ALA CA C 510 51.009 51.009 50.789 0.220 19213 7429 1 9 . 1 1 510 510 ALA CB C 510 21.245 21.245 21.397 -0.152 19213 7430 1 9 . 1 1 510 510 ALA H H 510 8.865 8.865 8.495 0.370 19213 7431 1 9 . 1 1 511 511 THR N N 511 121.442 121.442 121.626 -0.184 19213 7432 1 9 . 1 1 511 511 THR HA H 511 4.652 4.652 4.805 -0.153 19213 7433 1 9 . 1 1 511 511 THR C C 511 174.487 174.487 174.458 0.029 19213 7434 1 9 . 1 1 511 511 THR CA C 511 62.152 62.152 61.828 0.324 19213 7435 1 9 . 1 1 511 511 THR CB C 511 69.678 69.678 70.592 -0.914 19213 7436 1 9 . 1 1 511 511 THR H H 511 9.368 9.368 8.979 0.389 19213 7437 1 9 . 1 1 512 512 THR N N 512 126.491 126.491 119.601 6.890 19213 7438 1 9 . 1 1 512 512 THR HA H 512 4.706 4.706 3.890 0.816 19213 7439 1 9 . 1 1 512 512 THR C C 512 173.054 173.054 174.251 -1.197 19213 7440 1 9 . 1 1 512 512 THR CA C 512 63.609 63.609 66.018 -2.409 19213 7441 1 9 . 1 1 512 512 THR CB C 512 69.408 69.408 69.139 0.269 19213 7442 1 9 . 1 1 512 512 THR H H 512 8.829 8.829 8.235 0.594 19213 7443 1 9 . 1 1 513 513 ASP N N 513 113.706 113.706 119.119 -5.413 19213 7444 1 9 . 1 1 513 513 ASP HA H 513 5.022 5.022 4.952 0.070 19213 7445 1 9 . 1 1 513 513 ASP C C 513 179.097 179.097 176.651 2.446 19213 7446 1 9 . 1 1 513 513 ASP CA C 513 52.164 52.164 51.918 0.246 19213 7447 1 9 . 1 1 513 513 ASP CB C 513 42.331 42.331 40.841 1.490 19213 7448 1 9 . 1 1 513 513 ASP H H 513 7.272 7.272 7.911 -0.639 19213 7449 1 9 . 1 1 514 514 ILE N N 514 123.327 123.327 121.497 1.830 19213 7450 1 9 . 1 1 514 514 ILE HA H 514 3.636 3.636 3.996 -0.360 19213 7451 1 9 . 1 1 514 514 ILE C C 514 175.769 175.769 175.747 0.022 19213 7452 1 9 . 1 1 514 514 ILE CA C 514 63.545 63.545 63.609 -0.064 19213 7453 1 9 . 1 1 514 514 ILE CB C 514 38.180 38.180 37.390 0.790 19213 7454 1 9 . 1 1 514 514 ILE H H 514 8.916 8.916 8.515 0.401 19213 7455 1 9 . 1 1 515 515 PHE N N 515 117.344 117.344 119.834 -2.490 19213 7456 1 9 . 1 1 515 515 PHE HA H 515 4.517 4.517 4.549 -0.032 19213 7457 1 9 . 1 1 515 515 PHE C C 515 176.514 176.514 176.449 0.065 19213 7458 1 9 . 1 1 515 515 PHE CA C 515 58.401 58.401 59.539 -1.138 19213 7459 1 9 . 1 1 515 515 PHE CB C 515 37.600 37.600 38.799 -1.199 19213 7460 1 9 . 1 1 515 515 PHE H H 515 8.154 8.154 8.043 0.111 19213 7461 1 9 . 1 1 516 516 LYS N N 516 120.351 120.351 117.742 2.609 19213 7462 1 9 . 1 1 516 516 LYS HA H 516 4.715 4.715 4.461 0.254 19213 7463 1 9 . 1 1 516 516 LYS C C 516 175.486 175.486 175.875 -0.389 19213 7464 1 9 . 1 1 516 516 LYS CA C 516 54.831 54.831 56.137 -1.306 19213 7465 1 9 . 1 1 516 516 LYS CB C 516 33.581 33.581 34.370 -0.789 19213 7466 1 9 . 1 1 516 516 LYS H H 516 7.634 7.634 8.246 -0.612 19213 7467 1 9 . 1 1 517 517 ALA N N 517 122.264 122.264 122.507 -0.243 19213 7468 1 9 . 1 1 517 517 ALA HA H 517 4.561 4.561 4.538 0.023 19213 7469 1 9 . 1 1 517 517 ALA C C 517 176.799 176.799 176.670 0.129 19213 7470 1 9 . 1 1 517 517 ALA CA C 517 51.980 51.980 51.997 -0.017 19213 7471 1 9 . 1 1 517 517 ALA CB C 517 20.779 20.779 19.819 0.960 19213 7472 1 9 . 1 1 517 517 ALA H H 517 7.552 7.552 7.171 0.381 19213 7473 1 9 . 1 1 518 518 GLY N N 518 110.102 110.102 112.198 -2.096 19213 7474 1 9 . 1 1 518 518 GLY C C 518 175.260 175.260 175.045 0.215 19213 7475 1 9 . 1 1 518 518 GLY CA C 518 46.252 46.252 44.587 1.665 19213 7476 1 9 . 1 1 518 518 GLY H H 518 8.499 8.499 8.539 -0.040 19213 7477 1 9 . 1 1 519 519 LEU N N 519 120.980 120.980 121.226 -0.246 19213 7478 1 9 . 1 1 519 519 LEU HA H 519 4.285 4.285 4.176 0.109 19213 7479 1 9 . 1 1 519 519 LEU C C 519 176.687 176.687 177.396 -0.709 19213 7480 1 9 . 1 1 519 519 LEU CA C 519 54.291 54.291 54.673 -0.382 19213 7481 1 9 . 1 1 519 519 LEU CB C 519 42.942 42.942 39.408 3.534 19213 7482 1 9 . 1 1 519 519 LEU H H 519 8.418 8.418 8.390 0.028 19213 7483 1 9 . 1 1 520 520 THR N N 520 107.429 107.429 113.146 -5.717 19213 7484 1 9 . 1 1 520 520 THR HA H 520 4.420 4.420 4.229 0.191 19213 7485 1 9 . 1 1 520 520 THR CA C 520 60.231 60.231 61.763 -1.532 19213 7486 1 9 . 1 1 520 520 THR CB C 520 71.205 71.205 70.948 0.258 19213 7487 1 9 . 1 1 520 520 THR H H 520 6.149 6.149 8.136 -1.987 19213 7488 1 9 . 1 1 521 521 GLU N N 521 118.700 118.700 120.124 -1.424 19213 7489 1 9 . 1 1 521 521 GLU HA H 521 4.173 4.173 4.348 -0.175 19213 7490 1 9 . 1 1 521 521 GLU C C 521 176.567 176.567 177.958 -1.391 19213 7491 1 9 . 1 1 521 521 GLU CA C 521 57.220 57.220 58.331 -1.111 19213 7492 1 9 . 1 1 521 521 GLU CB C 521 30.353 30.353 30.013 0.340 19213 7493 1 9 . 1 1 521 521 GLU H H 521 7.290 7.290 8.437 -1.147 19213 7494 1 9 . 1 1 522 522 CYS N N 522 121.185 121.185 119.375 1.810 19213 7495 1 9 . 1 1 522 522 CYS HA H 522 4.139 4.139 4.329 -0.190 19213 7496 1 9 . 1 1 522 522 CYS C C 522 177.769 177.769 177.103 0.666 19213 7497 1 9 . 1 1 522 522 CYS CA C 522 61.379 61.379 61.540 -0.161 19213 7498 1 9 . 1 1 522 522 CYS CB C 522 32.851 32.851 26.085 6.766 19213 7499 1 9 . 1 1 522 522 CYS H H 522 8.218 8.218 8.539 -0.321 19213 7500 1 9 . 1 1 523 523 HIS N N 523 117.000 117.000 118.694 -1.694 19213 7501 1 9 . 1 1 523 523 HIS HA H 523 3.796 3.796 4.324 -0.528 19213 7502 1 9 . 1 1 523 523 HIS C C 523 177.832 177.832 177.090 0.742 19213 7503 1 9 . 1 1 523 523 HIS CA C 523 59.058 59.058 59.388 -0.330 19213 7504 1 9 . 1 1 523 523 HIS CB C 523 28.841 28.841 29.415 -0.574 19213 7505 1 9 . 1 1 523 523 HIS H H 523 7.333 7.333 8.293 -0.960 19213 7506 1 9 . 1 1 524 524 LEU N N 524 117.403 117.403 118.426 -1.023 19213 7507 1 9 . 1 1 524 524 LEU HA H 524 3.792 3.792 3.621 0.171 19213 7508 1 9 . 1 1 524 524 LEU C C 524 180.184 180.184 178.698 1.486 19213 7509 1 9 . 1 1 524 524 LEU CA C 524 58.223 58.223 58.107 0.116 19213 7510 1 9 . 1 1 524 524 LEU CB C 524 41.482 41.482 41.284 0.198 19213 7511 1 9 . 1 1 524 524 LEU H H 524 8.582 8.582 8.315 0.267 19213 7512 1 9 . 1 1 525 525 ASN N N 525 118.149 118.149 115.439 2.710 19213 7513 1 9 . 1 1 525 525 ASN HA H 525 4.534 4.534 4.549 -0.015 19213 7514 1 9 . 1 1 525 525 ASN C C 525 177.023 177.023 176.475 0.548 19213 7515 1 9 . 1 1 525 525 ASN CA C 525 55.784 55.784 55.336 0.449 19213 7516 1 9 . 1 1 525 525 ASN CB C 525 38.017 38.017 38.020 -0.003 19213 7517 1 9 . 1 1 525 525 ASN H H 525 9.226 9.226 7.953 1.273 19213 7518 1 9 . 1 1 526 526 GLN N N 526 115.619 115.619 118.795 -3.176 19213 7519 1 9 . 1 1 526 526 GLN HA H 526 4.358 4.358 4.232 0.126 19213 7520 1 9 . 1 1 526 526 GLN C C 526 175.801 175.801 176.852 -1.051 19213 7521 1 9 . 1 1 526 526 GLN CA C 526 57.008 57.008 57.945 -0.937 19213 7522 1 9 . 1 1 526 526 GLN CB C 526 28.586 28.586 29.476 -0.890 19213 7523 1 9 . 1 1 526 526 GLN H H 526 7.290 7.290 7.933 -0.643 19213 7524 1 9 . 1 1 527 527 LEU N N 527 115.651 115.651 119.140 -3.489 19213 7525 1 9 . 1 1 527 527 LEU HA H 527 4.130 4.130 4.223 -0.093 19213 7526 1 9 . 1 1 527 527 LEU C C 527 178.587 178.587 178.397 0.190 19213 7527 1 9 . 1 1 527 527 LEU CA C 527 55.568 55.568 56.229 -0.661 19213 7528 1 9 . 1 1 527 527 LEU CB C 527 42.148 42.148 42.047 0.101 19213 7529 1 9 . 1 1 527 527 LEU H H 527 6.944 6.944 7.892 -0.948 19213 7530 1 9 . 1 1 528 528 ARG N N 528 121.110 121.110 120.593 0.517 19213 7531 1 9 . 1 1 528 528 ARG HA H 528 4.310 4.310 4.004 0.306 19213 7532 1 9 . 1 1 528 528 ARG CA C 528 61.278 61.278 61.033 0.245 19213 7533 1 9 . 1 1 528 528 ARG CB C 528 28.800 28.800 27.559 1.240 19213 7534 1 9 . 1 1 528 528 ARG H H 528 8.246 8.246 8.394 -0.148 19213 7535 1 9 . 1 1 529 529 PRO HA H 529 4.432 4.432 4.293 0.139 19213 7536 1 9 . 1 1 529 529 PRO C C 529 177.119 177.119 177.007 0.112 19213 7537 1 9 . 1 1 529 529 PRO CA C 529 65.500 65.500 65.347 0.153 19213 7538 1 9 . 1 1 529 529 PRO CB C 529 31.079 31.079 31.185 -0.106 19213 7539 1 9 . 1 1 530 530 LEU N N 530 113.140 113.140 115.924 -2.784 19213 7540 1 9 . 1 1 530 530 LEU HA H 530 4.186 4.186 4.459 -0.273 19213 7541 1 9 . 1 1 530 530 LEU C C 530 176.839 176.839 176.505 0.334 19213 7542 1 9 . 1 1 530 530 LEU CA C 530 54.360 54.360 54.337 0.023 19213 7543 1 9 . 1 1 530 530 LEU CB C 530 42.962 42.962 42.256 0.706 19213 7544 1 9 . 1 1 530 530 LEU H H 530 6.908 6.908 7.578 -0.670 19213 7545 1 9 . 1 1 531 531 LYS N N 531 114.250 114.250 117.593 -3.343 19213 7546 1 9 . 1 1 531 531 LYS HA H 531 3.881 3.881 3.884 -0.003 19213 7547 1 9 . 1 1 531 531 LYS C C 531 173.063 173.063 175.364 -2.301 19213 7548 1 9 . 1 1 531 531 LYS CA C 531 57.573 57.573 56.954 0.619 19213 7549 1 9 . 1 1 531 531 LYS CB C 531 28.802 28.802 30.701 -1.899 19213 7550 1 9 . 1 1 531 531 LYS H H 531 8.120 8.120 7.638 0.482 19213 7551 1 9 . 1 1 532 532 VAL N N 532 115.759 115.759 118.528 -2.769 19213 7552 1 9 . 1 1 532 532 VAL HA H 532 3.000 3.000 3.815 -0.815 19213 7553 1 9 . 1 1 532 532 VAL C C 532 174.337 174.337 176.270 -1.933 19213 7554 1 9 . 1 1 532 532 VAL CA C 532 64.525 64.525 63.503 1.022 19213 7555 1 9 . 1 1 532 532 VAL CB C 532 32.785 32.785 31.558 1.227 19213 7556 1 9 . 1 1 532 532 VAL H H 532 6.477 6.477 7.314 -0.837 19213 7557 1 9 . 1 1 533 533 ARG N N 533 123.594 123.594 128.466 -4.872 19213 7558 1 9 . 1 1 533 533 ARG HA H 533 4.457 4.457 4.677 -0.220 19213 7559 1 9 . 1 1 533 533 ARG C C 533 173.662 173.662 174.583 -0.921 19213 7560 1 9 . 1 1 533 533 ARG CA C 533 53.844 53.844 55.118 -1.274 19213 7561 1 9 . 1 1 533 533 ARG CB C 533 31.242 31.242 30.509 0.733 19213 7562 1 9 . 1 1 533 533 ARG H H 533 8.917 8.917 8.331 0.586 19213 7563 1 9 . 1 1 534 534 ALA N N 534 123.107 123.107 122.580 0.527 19213 7564 1 9 . 1 1 534 534 ALA HA H 534 4.663 4.663 5.064 -0.401 19213 7565 1 9 . 1 1 534 534 ALA C C 534 176.608 176.608 174.890 1.718 19213 7566 1 9 . 1 1 534 534 ALA CA C 534 51.456 51.456 51.923 -0.467 19213 7567 1 9 . 1 1 534 534 ALA CB C 534 25.134 25.134 20.863 4.271 19213 7568 1 9 . 1 1 534 534 ALA H H 534 8.338 8.338 7.886 0.452 19213 7569 1 9 . 1 1 535 535 ASN N N 535 117.841 117.841 117.308 0.533 19213 7570 1 9 . 1 1 535 535 ASN HA H 535 6.000 6.000 4.887 1.113 19213 7571 1 9 . 1 1 535 535 ASN C C 535 170.841 170.841 173.105 -2.264 19213 7572 1 9 . 1 1 535 535 ASN CA C 535 52.258 52.258 53.742 -1.484 19213 7573 1 9 . 1 1 535 535 ASN CB C 535 42.060 42.060 40.331 1.729 19213 7574 1 9 . 1 1 535 535 ASN H H 535 9.052 9.052 8.739 0.313 19213 7575 1 9 . 1 1 536 536 LEU N N 536 123.199 123.199 127.965 -4.766 19213 7576 1 9 . 1 1 536 536 LEU HA H 536 4.667 4.667 4.607 0.060 19213 7577 1 9 . 1 1 536 536 LEU C C 536 173.345 173.345 173.580 -0.235 19213 7578 1 9 . 1 1 536 536 LEU CA C 536 54.258 54.258 53.431 0.827 19213 7579 1 9 . 1 1 536 536 LEU CB C 536 43.282 43.282 44.834 -1.552 19213 7580 1 9 . 1 1 536 536 LEU H H 536 8.163 8.163 7.599 0.564 19213 7581 1 9 . 1 1 537 537 VAL N N 537 128.390 128.390 123.694 4.696 19213 7582 1 9 . 1 1 537 537 VAL HA H 537 4.428 4.428 4.734 -0.306 19213 7583 1 9 . 1 1 537 537 VAL C C 537 174.411 174.411 173.007 1.404 19213 7584 1 9 . 1 1 537 537 VAL CA C 537 62.112 62.112 59.657 2.455 19213 7585 1 9 . 1 1 537 537 VAL CB C 537 34.747 34.747 33.663 1.084 19213 7586 1 9 . 1 1 537 537 VAL H H 537 8.881 8.881 7.879 1.002 19213 7587 1 9 . 1 1 538 538 VAL N N 538 118.758 118.758 126.125 -7.367 19213 7588 1 9 . 1 1 538 538 VAL HA H 538 5.360 5.360 4.564 0.796 19213 7589 1 9 . 1 1 538 538 VAL CA C 538 56.783 56.783 57.422 -0.639 19213 7590 1 9 . 1 1 538 538 VAL CB C 538 33.069 33.069 35.090 -2.021 19213 7591 1 9 . 1 1 538 538 VAL H H 538 8.456 8.456 8.180 0.276 19213 7592 1 9 . 1 1 539 539 PRO HA H 539 4.832 4.832 4.678 0.154 19213 7593 1 9 . 1 1 539 539 PRO C C 539 175.835 175.835 175.837 -0.002 19213 7594 1 9 . 1 1 539 539 PRO CA C 539 62.909 62.909 62.906 0.003 19213 7595 1 9 . 1 1 539 539 PRO CB C 539 34.483 34.483 32.059 2.424 19213 7596 1 9 . 1 1 540 540 MET N N 540 116.774 116.774 124.444 -7.670 19213 7597 1 9 . 1 1 540 540 MET HA H 540 4.372 4.372 4.864 -0.492 19213 7598 1 9 . 1 1 540 540 MET C C 540 173.982 173.982 174.634 -0.652 19213 7599 1 9 . 1 1 540 540 MET CA C 540 55.763 55.763 53.813 1.950 19213 7600 1 9 . 1 1 540 540 MET CB C 540 35.394 35.394 33.531 1.863 19213 7601 1 9 . 1 1 540 540 MET H H 540 8.212 8.212 8.311 -0.099 19213 7602 1 9 . 1 1 541 541 VAL N N 541 127.382 127.382 124.517 2.865 19213 7603 1 9 . 1 1 541 541 VAL HA H 541 4.851 4.851 4.997 -0.146 19213 7604 1 9 . 1 1 541 541 VAL C C 541 174.789 174.789 175.193 -0.404 19213 7605 1 9 . 1 1 541 541 VAL CA C 541 61.847 61.847 60.532 1.315 19213 7606 1 9 . 1 1 541 541 VAL CB C 541 33.092 33.092 33.139 -0.047 19213 7607 1 9 . 1 1 541 541 VAL H H 541 8.342 8.342 8.728 -0.386 19213 7608 1 9 . 1 1 542 542 ILE N N 542 126.100 126.100 126.848 -0.748 19213 7609 1 9 . 1 1 542 542 ILE HA H 542 4.225 4.225 4.342 -0.117 19213 7610 1 9 . 1 1 542 542 ILE C C 542 176.127 176.127 175.560 0.567 19213 7611 1 9 . 1 1 542 542 ILE CA C 542 60.535 60.535 59.822 0.713 19213 7612 1 9 . 1 1 542 542 ILE CB C 542 41.569 41.569 41.594 -0.025 19213 7613 1 9 . 1 1 542 542 ILE H H 542 8.687 8.687 9.114 -0.427 19213 7614 1 9 . 1 1 543 543 ASP N N 543 132.060 132.060 127.650 4.410 19213 7615 1 9 . 1 1 543 543 ASP HA H 543 4.203 4.203 4.318 -0.115 19213 7616 1 9 . 1 1 543 543 ASP C C 543 175.231 175.231 175.415 -0.184 19213 7617 1 9 . 1 1 543 543 ASP CA C 543 55.725 55.725 55.719 0.006 19213 7618 1 9 . 1 1 543 543 ASP CB C 543 39.705 39.705 39.989 -0.284 19213 7619 1 9 . 1 1 543 543 ASP H H 543 10.386 10.386 8.970 1.416 19213 7620 1 9 . 1 1 544 544 ASP N N 544 111.355 111.355 113.695 -2.340 19213 7621 1 9 . 1 1 544 544 ASP HA H 544 4.109 4.109 4.248 -0.139 19213 7622 1 9 . 1 1 544 544 ASP C C 544 174.479 174.479 174.333 0.146 19213 7623 1 9 . 1 1 544 544 ASP CA C 544 55.744 55.744 55.685 0.059 19213 7624 1 9 . 1 1 544 544 ASP CB C 544 41.048 41.048 40.543 0.505 19213 7625 1 9 . 1 1 544 544 ASP H H 544 8.812 8.812 8.732 0.080 19213 7626 1 9 . 1 1 545 545 GLN N N 545 117.226 117.226 116.284 0.942 19213 7627 1 9 . 1 1 545 545 GLN HA H 545 4.582 4.582 4.590 -0.008 19213 7628 1 9 . 1 1 545 545 GLN C C 545 174.762 174.762 174.512 0.250 19213 7629 1 9 . 1 1 545 545 GLN CA C 545 53.703 53.703 54.096 -0.393 19213 7630 1 9 . 1 1 545 545 GLN CB C 545 31.687 31.687 32.537 -0.850 19213 7631 1 9 . 1 1 545 545 GLN H H 545 7.884 7.884 8.336 -0.452 19213 7632 1 9 . 1 1 546 546 LEU N N 546 123.783 123.783 127.044 -3.261 19213 7633 1 9 . 1 1 546 546 LEU HA H 546 4.590 4.590 4.450 0.140 19213 7634 1 9 . 1 1 546 546 LEU C C 546 174.041 174.041 176.301 -2.260 19213 7635 1 9 . 1 1 546 546 LEU CA C 546 55.029 55.029 55.185 -0.156 19213 7636 1 9 . 1 1 546 546 LEU CB C 546 42.361 42.361 41.345 1.016 19213 7637 1 9 . 1 1 546 546 LEU H H 546 9.175 9.175 8.810 0.365 19213 7638 1 9 . 1 1 547 547 PHE N N 547 132.161 132.161 125.679 6.482 19213 7639 1 9 . 1 1 547 547 PHE HA H 547 4.564 4.564 4.720 -0.156 19213 7640 1 9 . 1 1 547 547 PHE C C 547 176.063 176.063 174.458 1.605 19213 7641 1 9 . 1 1 547 547 PHE CA C 547 59.445 59.445 58.479 0.966 19213 7642 1 9 . 1 1 547 547 PHE CB C 547 41.069 41.069 40.935 0.134 19213 7643 1 9 . 1 1 547 547 PHE H H 547 8.925 8.925 7.927 0.998 19213 7644 1 9 . 1 1 548 548 GLY N N 548 103.713 103.713 104.163 -0.450 19213 7645 1 9 . 1 1 548 548 GLY C C 548 169.176 169.176 171.028 -1.852 19213 7646 1 9 . 1 1 548 548 GLY CA C 548 45.906 45.906 44.273 1.633 19213 7647 1 9 . 1 1 548 548 GLY H H 548 8.025 8.025 7.305 0.720 19213 7648 1 9 . 1 1 549 549 LEU N N 549 117.457 117.457 119.099 -1.642 19213 7649 1 9 . 1 1 549 549 LEU HA H 549 4.872 4.872 4.799 0.073 19213 7650 1 9 . 1 1 549 549 LEU C C 549 174.008 174.008 173.590 0.418 19213 7651 1 9 . 1 1 549 549 LEU CA C 549 52.697 52.697 54.759 -2.062 19213 7652 1 9 . 1 1 549 549 LEU CB C 549 44.641 44.641 46.641 -2.000 19213 7653 1 9 . 1 1 549 549 LEU H H 549 8.738 8.738 7.404 1.334 19213 7654 1 9 . 1 1 550 550 LEU N N 550 127.533 127.533 127.375 0.158 19213 7655 1 9 . 1 1 550 550 LEU HA H 550 4.920 4.920 4.670 0.250 19213 7656 1 9 . 1 1 550 550 LEU C C 550 175.162 175.162 174.421 0.741 19213 7657 1 9 . 1 1 550 550 LEU CA C 550 53.922 53.922 53.677 0.245 19213 7658 1 9 . 1 1 550 550 LEU CB C 550 42.857 42.857 44.117 -1.260 19213 7659 1 9 . 1 1 550 550 LEU H H 550 9.078 9.078 7.796 1.282 19213 7660 1 9 . 1 1 551 551 ILE N N 551 123.427 123.427 126.590 -3.163 19213 7661 1 9 . 1 1 551 551 ILE HA H 551 5.332 5.332 5.050 0.282 19213 7662 1 9 . 1 1 551 551 ILE C C 551 174.056 174.056 173.832 0.224 19213 7663 1 9 . 1 1 551 551 ILE CA C 551 59.702 59.702 58.942 0.760 19213 7664 1 9 . 1 1 551 551 ILE CB C 551 41.568 41.568 41.306 0.262 19213 7665 1 9 . 1 1 551 551 ILE H H 551 8.382 8.382 7.848 0.534 19213 7666 1 9 . 1 1 552 552 ALA N N 552 129.153 129.153 127.981 1.172 19213 7667 1 9 . 1 1 552 552 ALA HA H 552 5.130 5.130 4.383 0.747 19213 7668 1 9 . 1 1 552 552 ALA C C 552 176.892 176.892 174.838 2.054 19213 7669 1 9 . 1 1 552 552 ALA CA C 552 49.481 49.481 50.041 -0.561 19213 7670 1 9 . 1 1 552 552 ALA CB C 552 22.936 22.936 21.236 1.700 19213 7671 1 9 . 1 1 552 552 ALA H H 552 9.245 9.245 7.756 1.489 19213 7672 1 9 . 1 1 553 553 HIS N N 553 117.481 117.481 120.400 -2.919 19213 7673 1 9 . 1 1 553 553 HIS HA H 553 5.879 5.879 4.747 1.132 19213 7674 1 9 . 1 1 553 553 HIS C C 553 175.709 175.709 173.999 1.710 19213 7675 1 9 . 1 1 553 553 HIS CA C 553 52.575 52.575 54.801 -2.227 19213 7676 1 9 . 1 1 553 553 HIS CB C 553 36.391 36.391 33.959 2.432 19213 7677 1 9 . 1 1 553 553 HIS H H 553 9.584 9.584 8.557 1.027 19213 7678 1 9 . 1 1 554 554 GLN N N 554 125.534 125.534 123.193 2.341 19213 7679 1 9 . 1 1 554 554 GLN HA H 554 4.604 4.604 4.442 0.162 19213 7680 1 9 . 1 1 554 554 GLN C C 554 174.647 174.647 175.241 -0.594 19213 7681 1 9 . 1 1 554 554 GLN CA C 554 55.753 55.753 55.393 0.360 19213 7682 1 9 . 1 1 554 554 GLN CB C 554 30.350 30.350 29.158 1.192 19213 7683 1 9 . 1 1 554 554 GLN H H 554 9.240 9.240 8.912 0.328 19213 7684 1 9 . 1 1 555 555 ALA N N 555 135.281 135.281 128.544 6.737 19213 7685 1 9 . 1 1 555 555 ALA HA H 555 4.543 4.543 4.117 0.426 19213 7686 1 9 . 1 1 555 555 ALA C C 555 177.707 177.707 176.660 1.047 19213 7687 1 9 . 1 1 555 555 ALA CA C 555 53.062 53.062 52.798 0.264 19213 7688 1 9 . 1 1 555 555 ALA CB C 555 19.238 19.238 17.759 1.479 19213 7689 1 9 . 1 1 555 555 ALA H H 555 11.446 11.446 8.481 2.965 19213 7690 1 9 . 1 1 556 556 SER N N 556 110.784 110.784 112.505 -1.721 19213 7691 1 9 . 1 1 556 556 SER HA H 556 4.190 4.190 4.669 -0.479 19213 7692 1 9 . 1 1 556 556 SER C C 556 174.538 174.538 174.803 -0.265 19213 7693 1 9 . 1 1 556 556 SER CA C 556 60.691 60.691 58.603 2.088 19213 7694 1 9 . 1 1 556 556 SER CB C 556 63.729 63.729 65.138 -1.409 19213 7695 1 9 . 1 1 556 556 SER H H 556 8.106 8.106 7.756 0.350 19213 7696 1 9 . 1 1 557 557 GLU N N 557 118.812 118.812 121.018 -2.206 19213 7697 1 9 . 1 1 557 557 GLU CA C 557 53.779 53.779 53.252 0.527 19213 7698 1 9 . 1 1 557 557 GLU CB C 557 30.585 30.585 31.079 -0.494 19213 7699 1 9 . 1 1 557 557 GLU H H 557 7.380 7.380 7.538 -0.158 19213 7700 1 9 . 1 1 558 558 PRO HA H 558 4.290 4.290 4.557 -0.267 19213 7701 1 9 . 1 1 558 558 PRO C C 558 175.238 175.238 176.382 -1.144 19213 7702 1 9 . 1 1 558 558 PRO CA C 558 62.733 62.733 63.194 -0.461 19213 7703 1 9 . 1 1 558 558 PRO CB C 558 32.892 32.892 32.245 0.647 19213 7704 1 9 . 1 1 559 559 ARG N N 559 121.705 121.705 119.853 1.852 19213 7705 1 9 . 1 1 559 559 ARG HA H 559 3.949 3.949 4.568 -0.619 19213 7706 1 9 . 1 1 559 559 ARG C C 559 171.339 171.339 173.978 -2.639 19213 7707 1 9 . 1 1 559 559 ARG CA C 559 55.522 55.522 55.014 0.507 19213 7708 1 9 . 1 1 559 559 ARG CB C 559 33.266 33.266 33.620 -0.354 19213 7709 1 9 . 1 1 559 559 ARG H H 559 8.106 8.106 8.420 -0.314 19213 7710 1 9 . 1 1 560 560 GLN N N 560 125.611 125.611 123.935 1.676 19213 7711 1 9 . 1 1 560 560 GLN HA H 560 4.386 4.386 3.891 0.495 19213 7712 1 9 . 1 1 560 560 GLN C C 560 175.691 175.691 174.521 1.170 19213 7713 1 9 . 1 1 560 560 GLN CA C 560 53.655 53.655 54.116 -0.461 19213 7714 1 9 . 1 1 560 560 GLN CB C 560 27.650 27.650 28.427 -0.777 19213 7715 1 9 . 1 1 560 560 GLN H H 560 8.295 8.295 8.402 -0.107 19213 7716 1 9 . 1 1 561 561 TRP N N 561 132.619 132.619 125.238 7.381 19213 7717 1 9 . 1 1 561 561 TRP HA H 561 4.449 4.449 4.791 -0.342 19213 7718 1 9 . 1 1 561 561 TRP C C 561 176.089 176.089 175.902 0.187 19213 7719 1 9 . 1 1 561 561 TRP CA C 561 56.370 56.370 55.867 0.503 19213 7720 1 9 . 1 1 561 561 TRP CB C 561 28.641 28.641 29.533 -0.892 19213 7721 1 9 . 1 1 561 561 TRP H H 561 7.899 7.899 6.952 0.947 19213 7722 1 9 . 1 1 562 562 GLN N N 562 124.398 124.398 123.782 0.616 19213 7723 1 9 . 1 1 562 562 GLN HA H 562 4.465 4.465 4.270 0.195 19213 7724 1 9 . 1 1 562 562 GLN C C 562 177.060 177.060 177.057 0.003 19213 7725 1 9 . 1 1 562 562 GLN CA C 562 54.712 54.712 55.611 -0.899 19213 7726 1 9 . 1 1 562 562 GLN CB C 562 30.536 30.536 29.674 0.862 19213 7727 1 9 . 1 1 562 562 GLN H H 562 9.714 9.714 8.602 1.112 19213 7728 1 9 . 1 1 563 563 GLU N N 563 124.299 124.299 120.884 3.415 19213 7729 1 9 . 1 1 563 563 GLU HA H 563 3.913 3.913 4.072 -0.159 19213 7730 1 9 . 1 1 563 563 GLU C C 563 178.669 178.669 178.940 -0.271 19213 7731 1 9 . 1 1 563 563 GLU CA C 563 61.261 61.261 59.563 1.698 19213 7732 1 9 . 1 1 563 563 GLU CB C 563 29.246 29.246 29.466 -0.220 19213 7733 1 9 . 1 1 563 563 GLU H H 563 9.197 9.197 8.983 0.214 19213 7734 1 9 . 1 1 564 564 ILE N N 564 115.325 115.325 119.008 -3.683 19213 7735 1 9 . 1 1 564 564 ILE HA H 564 4.217 4.217 3.770 0.447 19213 7736 1 9 . 1 1 564 564 ILE C C 564 177.495 177.495 177.977 -0.482 19213 7737 1 9 . 1 1 564 564 ILE CA C 564 63.396 63.396 64.588 -1.192 19213 7738 1 9 . 1 1 564 564 ILE CB C 564 37.815 37.815 37.404 0.411 19213 7739 1 9 . 1 1 564 564 ILE H H 564 8.482 8.482 8.214 0.268 19213 7740 1 9 . 1 1 565 565 GLU N N 565 121.151 121.151 119.610 1.541 19213 7741 1 9 . 1 1 565 565 GLU HA H 565 4.014 4.014 4.068 -0.054 19213 7742 1 9 . 1 1 565 565 GLU C C 565 178.136 178.136 179.424 -1.288 19213 7743 1 9 . 1 1 565 565 GLU CA C 565 58.734 58.734 59.286 -0.552 19213 7744 1 9 . 1 1 565 565 GLU CB C 565 29.617 29.617 29.077 0.540 19213 7745 1 9 . 1 1 565 565 GLU H H 565 6.700 6.700 7.714 -1.014 19213 7746 1 9 . 1 1 566 566 ILE N N 566 119.835 119.835 120.478 -0.643 19213 7747 1 9 . 1 1 566 566 ILE HA H 566 3.450 3.450 4.046 -0.596 19213 7748 1 9 . 1 1 566 566 ILE C C 566 178.664 178.664 178.271 0.393 19213 7749 1 9 . 1 1 566 566 ILE CA C 566 66.463 66.463 63.335 3.128 19213 7750 1 9 . 1 1 566 566 ILE CB C 566 38.360 38.360 36.516 1.844 19213 7751 1 9 . 1 1 566 566 ILE H H 566 8.122 8.122 7.621 0.501 19213 7752 1 9 . 1 1 567 567 ASP N N 567 120.402 120.402 120.696 -0.294 19213 7753 1 9 . 1 1 567 567 ASP HA H 567 4.372 4.372 4.288 0.084 19213 7754 1 9 . 1 1 567 567 ASP C C 567 179.395 179.395 178.629 0.766 19213 7755 1 9 . 1 1 567 567 ASP CA C 567 57.846 57.846 57.676 0.170 19213 7756 1 9 . 1 1 567 567 ASP CB C 567 40.610 40.610 40.503 0.107 19213 7757 1 9 . 1 1 567 567 ASP H H 567 8.503 8.503 7.954 0.549 19213 7758 1 9 . 1 1 568 568 GLN N N 568 118.044 118.044 118.525 -0.481 19213 7759 1 9 . 1 1 568 568 GLN HA H 568 4.147 4.147 3.969 0.178 19213 7760 1 9 . 1 1 568 568 GLN C C 568 179.163 179.163 178.648 0.515 19213 7761 1 9 . 1 1 568 568 GLN CA C 568 59.243 59.243 58.755 0.488 19213 7762 1 9 . 1 1 568 568 GLN CB C 568 29.668 29.668 28.605 1.063 19213 7763 1 9 . 1 1 568 568 GLN H H 568 8.273 8.273 7.700 0.573 19213 7764 1 9 . 1 1 569 569 PHE N N 569 124.363 124.363 120.120 4.243 19213 7765 1 9 . 1 1 569 569 PHE HA H 569 4.303 4.303 4.123 0.180 19213 7766 1 9 . 1 1 569 569 PHE C C 569 177.052 177.052 177.924 -0.872 19213 7767 1 9 . 1 1 569 569 PHE CA C 569 61.230 61.230 61.613 -0.383 19213 7768 1 9 . 1 1 569 569 PHE CB C 569 40.614 40.614 38.601 2.013 19213 7769 1 9 . 1 1 569 569 PHE H H 569 8.962 8.962 7.982 0.980 19213 7770 1 9 . 1 1 570 570 SER N N 570 113.474 113.474 116.071 -2.597 19213 7771 1 9 . 1 1 570 570 SER HA H 570 4.353 4.353 4.109 0.244 19213 7772 1 9 . 1 1 570 570 SER C C 570 177.332 177.332 176.965 0.367 19213 7773 1 9 . 1 1 570 570 SER CA C 570 61.727 61.727 62.930 -1.203 19213 7774 1 9 . 1 1 570 570 SER CB C 570 62.752 62.752 62.861 -0.109 19213 7775 1 9 . 1 1 570 570 SER H H 570 8.880 8.880 8.516 0.364 19213 7776 1 9 . 1 1 571 571 GLU N N 571 122.935 122.935 122.417 0.518 19213 7777 1 9 . 1 1 571 571 GLU HA H 571 4.151 4.151 4.095 0.056 19213 7778 1 9 . 1 1 571 571 GLU C C 571 178.900 178.900 179.426 -0.526 19213 7779 1 9 . 1 1 571 571 GLU CA C 571 59.404 59.404 59.089 0.315 19213 7780 1 9 . 1 1 571 571 GLU CB C 571 29.340 29.340 29.690 -0.350 19213 7781 1 9 . 1 1 571 571 GLU H H 571 8.251 8.251 7.807 0.444 19213 7782 1 9 . 1 1 572 572 LEU N N 572 123.239 123.239 120.788 2.451 19213 7783 1 9 . 1 1 572 572 LEU HA H 572 4.040 4.040 3.987 0.053 19213 7784 1 9 . 1 1 572 572 LEU C C 572 178.222 178.222 178.556 -0.334 19213 7785 1 9 . 1 1 572 572 LEU CA C 572 58.316 58.316 57.986 0.330 19213 7786 1 9 . 1 1 572 572 LEU CB C 572 41.446 41.446 41.717 -0.271 19213 7787 1 9 . 1 1 572 572 LEU H H 572 7.811 7.811 8.406 -0.596 19213 7788 1 9 . 1 1 573 573 ALA N N 573 120.107 120.107 119.730 0.377 19213 7789 1 9 . 1 1 573 573 ALA HA H 573 3.704 3.704 4.047 -0.343 19213 7790 1 9 . 1 1 573 573 ALA C C 573 180.552 180.552 179.607 0.945 19213 7791 1 9 . 1 1 573 573 ALA CA C 573 55.596 55.596 55.312 0.284 19213 7792 1 9 . 1 1 573 573 ALA CB C 573 19.404 19.404 18.383 1.022 19213 7793 1 9 . 1 1 573 573 ALA H H 573 7.636 7.636 8.639 -1.003 19213 7794 1 9 . 1 1 574 574 SER N N 574 116.333 116.333 114.308 2.025 19213 7795 1 9 . 1 1 574 574 SER HA H 574 4.415 4.415 4.154 0.261 19213 7796 1 9 . 1 1 574 574 SER C C 574 177.418 177.418 176.670 0.748 19213 7797 1 9 . 1 1 574 574 SER CA C 574 61.750 61.750 61.407 0.343 19213 7798 1 9 . 1 1 574 574 SER CB C 574 62.688 62.688 62.768 -0.080 19213 7799 1 9 . 1 1 574 574 SER H H 574 8.675 8.675 8.591 0.084 19213 7800 1 9 . 1 1 575 575 THR N N 575 120.659 120.659 117.384 3.275 19213 7801 1 9 . 1 1 575 575 THR HA H 575 4.001 4.001 3.944 0.057 19213 7802 1 9 . 1 1 575 575 THR C C 575 177.033 177.033 176.627 0.406 19213 7803 1 9 . 1 1 575 575 THR CA C 575 66.835 66.835 66.329 0.506 19213 7804 1 9 . 1 1 575 575 THR CB C 575 68.384 68.384 68.367 0.017 19213 7805 1 9 . 1 1 575 575 THR H H 575 8.870 8.870 7.694 1.176 19213 7806 1 9 . 1 1 576 576 GLY N N 576 108.168 108.168 107.994 0.174 19213 7807 1 9 . 1 1 576 576 GLY C C 576 174.221 174.221 175.548 -1.327 19213 7808 1 9 . 1 1 576 576 GLY CA C 576 47.808 47.808 46.887 0.921 19213 7809 1 9 . 1 1 576 576 GLY H H 576 8.687 8.687 7.714 0.973 19213 7810 1 9 . 1 1 577 577 SER N N 577 118.111 118.111 118.741 -0.630 19213 7811 1 9 . 1 1 577 577 SER HA H 577 3.889 3.889 3.692 0.197 19213 7812 1 9 . 1 1 577 577 SER C C 577 174.830 174.830 176.586 -1.756 19213 7813 1 9 . 1 1 577 577 SER CA C 577 63.606 63.606 61.311 2.295 19213 7814 1 9 . 1 1 577 577 SER CB C 577 62.564 62.564 62.690 -0.126 19213 7815 1 9 . 1 1 577 577 SER H H 577 8.314 8.314 7.500 0.814 19213 7816 1 9 . 1 1 578 578 LEU N N 578 122.532 122.532 121.592 0.940 19213 7817 1 9 . 1 1 578 578 LEU HA H 578 3.785 3.785 4.184 -0.399 19213 7818 1 9 . 1 1 578 578 LEU C C 578 179.351 179.351 179.159 0.192 19213 7819 1 9 . 1 1 578 578 LEU CA C 578 58.109 58.109 57.308 0.801 19213 7820 1 9 . 1 1 578 578 LEU CB C 578 41.837 41.837 41.127 0.710 19213 7821 1 9 . 1 1 578 578 LEU H H 578 7.841 7.841 7.709 0.132 19213 7822 1 9 . 1 1 579 579 VAL N N 579 122.455 122.455 118.381 4.074 19213 7823 1 9 . 1 1 579 579 VAL CA C 579 59.949 59.949 65.960 -6.011 19213 7824 1 9 . 1 1 579 579 VAL CB C 579 31.167 31.167 31.261 -0.094 19213 7825 1 9 . 1 1 579 579 VAL H H 579 8.789 8.789 7.338 1.451 19213 7826 1 9 . 1 1 582 582 ARG HA H 582 3.694 3.694 3.961 -0.267 19213 7827 1 9 . 1 1 582 582 ARG C C 582 170.822 170.822 179.244 -8.422 19213 7828 1 9 . 1 1 582 582 ARG CA C 582 58.211 58.211 58.243 -0.032 19213 7829 1 9 . 1 1 582 582 ARG CB C 582 30.031 30.031 30.052 -0.021 19213 7830 1 9 . 1 1 583 583 LEU N N 583 118.579 118.579 121.108 -2.529 19213 7831 1 9 . 1 1 583 583 LEU CA C 583 58.995 58.995 57.072 1.923 19213 7832 1 9 . 1 1 583 583 LEU CB C 583 42.668 42.668 41.767 0.901 19213 7833 1 9 . 1 1 583 583 LEU H H 583 7.100 7.100 7.269 -0.169 19213 7834 1 9 . 1 1 585 585 PHE C C 585 176.850 176.850 176.573 0.277 19213 7835 1 9 . 1 1 585 585 PHE CA C 585 54.882 54.882 56.847 -1.965 19213 7836 1 9 . 1 1 585 585 PHE CB C 585 41.019 41.019 39.541 1.478 19213 7837 1 9 . 1 1 586 586 LEU N N 586 122.944 122.944 126.004 -3.060 19213 7838 1 9 . 1 1 586 586 LEU CA C 586 55.891 55.891 57.702 -1.811 19213 7839 1 9 . 1 1 586 586 LEU CB C 586 42.021 42.021 41.296 0.725 19213 7840 1 9 . 1 1 586 586 LEU H H 586 8.147 8.147 8.960 -0.813 19213 7841 1 9 . 1 1 587 587 GLU HA H 587 4.213 4.213 3.962 0.251 19213 7842 1 9 . 1 1 587 587 GLU C C 587 176.917 176.917 179.186 -2.269 19213 7843 1 9 . 1 1 587 587 GLU CA C 587 57.437 57.437 59.587 -2.150 19213 7844 1 9 . 1 1 587 587 GLU CB C 587 30.047 30.047 28.964 1.083 19213 7845 1 9 . 1 1 588 588 GLN N N 588 120.604 120.604 118.876 1.728 19213 7846 1 9 . 1 1 588 588 GLN CA C 588 57.300 57.300 58.690 -1.390 19213 7847 1 9 . 1 1 588 588 GLN CB C 588 30.196 30.196 28.634 1.562 19213 7848 1 9 . 1 1 588 588 GLN H H 588 8.402 8.402 7.838 0.564 19213 7849 1 9 . 1 1 589 589 THR HA H 589 4.167 4.167 4.142 0.025 19213 7850 1 9 . 1 1 589 589 THR C C 589 174.851 174.851 175.216 -0.365 19213 7851 1 9 . 1 1 589 589 THR CA C 589 62.959 62.959 64.897 -1.938 19213 7852 1 9 . 1 1 589 589 THR CB C 589 69.693 69.693 69.141 0.552 19213 7853 1 9 . 1 1 590 590 ILE N N 590 123.158 123.158 115.237 7.921 19213 7854 1 9 . 1 1 590 590 ILE CA C 590 61.524 61.524 59.816 1.708 19213 7855 1 9 . 1 1 590 590 ILE CB C 590 38.402 38.402 38.046 0.356 19213 7856 1 9 . 1 1 590 590 ILE H H 590 8.028 8.028 7.673 0.355 19213 7857 1 9 . 1 1 591 591 ALA HA H 591 4.180 4.180 4.139 0.041 19213 7858 1 9 . 1 1 591 591 ALA C C 591 178.457 178.457 178.959 -0.502 19213 7859 1 9 . 1 1 591 591 ALA CA C 591 53.569 53.569 54.277 -0.708 19213 7860 1 9 . 1 1 591 591 ALA CB C 591 18.733 18.733 18.922 -0.189 19213 7861 1 9 . 1 1 592 592 SER N N 592 113.507 113.507 114.001 -0.494 19213 7862 1 9 . 1 1 592 592 SER HA H 592 4.290 4.290 4.211 0.079 19213 7863 1 9 . 1 1 592 592 SER C C 592 174.913 174.913 175.436 -0.523 19213 7864 1 9 . 1 1 592 592 SER CA C 592 58.992 58.992 59.837 -0.845 19213 7865 1 9 . 1 1 592 592 SER CB C 592 63.550 63.550 63.239 0.311 19213 7866 1 9 . 1 1 592 592 SER H H 592 7.946 7.946 8.431 -0.485 19213 7867 1 10 . 1 1 430 430 ALA N N 430 132.375 132.375 122.516 9.859 19213 7868 1 10 . 1 1 430 430 ALA CA C 430 51.092 51.092 52.863 -1.771 19213 7869 1 10 . 1 1 430 430 ALA CB C 430 21.474 21.474 18.385 3.089 19213 7870 1 10 . 1 1 430 430 ALA H H 430 8.772 8.772 8.522 0.250 19213 7871 1 10 . 1 1 431 431 ALA N N 431 117.710 117.710 121.091 -3.381 19213 7872 1 10 . 1 1 431 431 ALA HA H 431 4.346 4.346 4.082 0.264 19213 7873 1 10 . 1 1 431 431 ALA C C 431 177.537 177.537 178.147 -0.610 19213 7874 1 10 . 1 1 431 431 ALA CA C 431 52.341 52.341 53.163 -0.822 19213 7875 1 10 . 1 1 431 431 ALA CB C 431 19.209 19.209 18.898 0.311 19213 7876 1 10 . 1 1 431 431 ALA H H 431 8.180 8.180 8.057 0.123 19213 7877 1 10 . 1 1 432 432 VAL N N 432 120.378 120.378 115.632 4.746 19213 7878 1 10 . 1 1 432 432 VAL HA H 432 4.045 4.045 3.994 0.051 19213 7879 1 10 . 1 1 432 432 VAL C C 432 175.692 175.692 174.693 0.999 19213 7880 1 10 . 1 1 432 432 VAL CA C 432 62.172 62.172 63.480 -1.308 19213 7881 1 10 . 1 1 432 432 VAL CB C 432 33.029 33.029 32.226 0.803 19213 7882 1 10 . 1 1 432 432 VAL H H 432 8.191 8.191 7.754 0.437 19213 7883 1 10 . 1 1 433 433 GLN N N 433 124.398 124.398 121.417 2.981 19213 7884 1 10 . 1 1 433 433 GLN CA C 433 54.855 54.855 53.986 0.869 19213 7885 1 10 . 1 1 433 433 GLN CB C 433 29.530 29.530 31.480 -1.950 19213 7886 1 10 . 1 1 433 433 GLN H H 433 8.525 8.525 8.220 0.305 19213 7887 1 10 . 1 1 435 435 SER HA H 435 4.074 4.074 4.230 -0.156 19213 7888 1 10 . 1 1 435 435 SER C C 435 178.865 178.865 175.409 3.456 19213 7889 1 10 . 1 1 435 435 SER CA C 435 60.402 60.402 60.087 0.315 19213 7890 1 10 . 1 1 435 435 SER CB C 435 62.858 62.858 62.768 0.090 19213 7891 1 10 . 1 1 436 436 GLU N N 436 119.935 119.935 120.216 -0.281 19213 7892 1 10 . 1 1 436 436 GLU HA H 436 4.309 4.309 4.342 -0.033 19213 7893 1 10 . 1 1 436 436 GLU C C 436 176.654 176.654 175.792 0.862 19213 7894 1 10 . 1 1 436 436 GLU CA C 436 56.095 56.095 56.188 -0.093 19213 7895 1 10 . 1 1 436 436 GLU CB C 436 30.278 30.278 29.309 0.969 19213 7896 1 10 . 1 1 436 436 GLU H H 436 7.847 7.847 7.775 0.072 19213 7897 1 10 . 1 1 437 437 LEU N N 437 120.616 120.616 120.621 -0.005 19213 7898 1 10 . 1 1 437 437 LEU CA C 437 55.492 55.492 54.097 1.395 19213 7899 1 10 . 1 1 437 437 LEU CB C 437 43.512 43.512 43.043 0.469 19213 7900 1 10 . 1 1 437 437 LEU H H 437 7.349 7.349 7.475 -0.126 19213 7901 1 10 . 1 1 440 440 ARG HA H 440 3.274 3.274 3.916 -0.642 19213 7902 1 10 . 1 1 440 440 ARG C C 440 175.983 175.983 177.965 -1.982 19213 7903 1 10 . 1 1 440 440 ARG CA C 440 60.018 60.018 58.573 1.445 19213 7904 1 10 . 1 1 440 440 ARG CB C 440 30.268 30.268 29.338 0.930 19213 7905 1 10 . 1 1 441 441 GLN N N 441 117.801 117.801 119.429 -1.628 19213 7906 1 10 . 1 1 441 441 GLN HA H 441 3.804 3.804 4.449 -0.645 19213 7907 1 10 . 1 1 441 441 GLN C C 441 178.030 178.030 177.590 0.440 19213 7908 1 10 . 1 1 441 441 GLN CA C 441 58.764 58.764 58.265 0.499 19213 7909 1 10 . 1 1 441 441 GLN CB C 441 27.434 27.434 28.345 -0.911 19213 7910 1 10 . 1 1 441 441 GLN H H 441 8.079 8.079 8.361 -0.282 19213 7911 1 10 . 1 1 442 442 ALA N N 442 120.194 120.194 122.623 -2.429 19213 7912 1 10 . 1 1 442 442 ALA HA H 442 4.123 4.123 4.118 0.005 19213 7913 1 10 . 1 1 442 442 ALA C C 442 181.577 181.577 179.387 2.190 19213 7914 1 10 . 1 1 442 442 ALA CA C 442 54.940 54.940 55.143 -0.203 19213 7915 1 10 . 1 1 442 442 ALA CB C 442 18.705 18.705 18.305 0.400 19213 7916 1 10 . 1 1 442 442 ALA H H 442 7.914 7.914 7.741 0.173 19213 7917 1 10 . 1 1 443 443 ILE N N 443 120.712 120.712 115.672 5.040 19213 7918 1 10 . 1 1 443 443 ILE HA H 443 3.445 3.445 3.600 -0.155 19213 7919 1 10 . 1 1 443 443 ILE C C 443 177.663 177.663 177.729 -0.066 19213 7920 1 10 . 1 1 443 443 ILE CA C 443 65.907 65.907 64.222 1.685 19213 7921 1 10 . 1 1 443 443 ILE CB C 443 37.169 37.169 36.886 0.283 19213 7922 1 10 . 1 1 443 443 ILE H H 443 7.663 7.663 7.257 0.406 19213 7923 1 10 . 1 1 444 444 PHE N N 444 119.033 119.033 119.308 -0.275 19213 7924 1 10 . 1 1 444 444 PHE HA H 444 4.311 4.311 4.145 0.166 19213 7925 1 10 . 1 1 444 444 PHE C C 444 178.273 178.273 177.965 0.308 19213 7926 1 10 . 1 1 444 444 PHE CA C 444 58.956 58.956 61.798 -2.842 19213 7927 1 10 . 1 1 444 444 PHE CB C 444 38.154 38.154 37.905 0.249 19213 7928 1 10 . 1 1 444 444 PHE H H 444 8.077 8.077 7.458 0.619 19213 7929 1 10 . 1 1 445 445 GLU N N 445 115.469 115.469 119.791 -4.322 19213 7930 1 10 . 1 1 445 445 GLU HA H 445 4.399 4.399 3.992 0.407 19213 7931 1 10 . 1 1 445 445 GLU C C 445 179.822 179.822 179.263 0.559 19213 7932 1 10 . 1 1 445 445 GLU CA C 445 58.472 58.472 59.828 -1.356 19213 7933 1 10 . 1 1 445 445 GLU CB C 445 28.797 28.797 29.265 -0.467 19213 7934 1 10 . 1 1 445 445 GLU H H 445 8.746 8.746 7.968 0.778 19213 7935 1 10 . 1 1 446 446 THR N N 446 117.987 117.987 116.197 1.790 19213 7936 1 10 . 1 1 446 446 THR HA H 446 4.067 4.067 3.934 0.133 19213 7937 1 10 . 1 1 446 446 THR C C 446 175.802 175.802 176.424 -0.622 19213 7938 1 10 . 1 1 446 446 THR CA C 446 66.959 66.959 67.076 -0.117 19213 7939 1 10 . 1 1 446 446 THR CB C 446 68.289 68.289 68.669 -0.380 19213 7940 1 10 . 1 1 446 446 THR H H 446 8.139 8.139 7.614 0.525 19213 7941 1 10 . 1 1 447 447 LEU N N 447 122.061 122.061 121.593 0.468 19213 7942 1 10 . 1 1 447 447 LEU HA H 447 3.874 3.874 4.031 -0.157 19213 7943 1 10 . 1 1 447 447 LEU C C 447 179.377 179.377 178.863 0.514 19213 7944 1 10 . 1 1 447 447 LEU CA C 447 58.858 58.858 57.836 1.022 19213 7945 1 10 . 1 1 447 447 LEU CB C 447 42.709 42.709 41.419 1.290 19213 7946 1 10 . 1 1 447 447 LEU H H 447 8.608 8.608 7.610 0.998 19213 7947 1 10 . 1 1 448 448 VAL N N 448 108.293 108.293 118.229 -9.936 19213 7948 1 10 . 1 1 448 448 VAL HA H 448 3.973 3.973 3.694 0.279 19213 7949 1 10 . 1 1 448 448 VAL C C 448 177.414 177.414 177.779 -0.365 19213 7950 1 10 . 1 1 448 448 VAL CA C 448 64.624 64.624 66.592 -1.968 19213 7951 1 10 . 1 1 448 448 VAL CB C 448 29.895 29.895 31.076 -1.181 19213 7952 1 10 . 1 1 448 448 VAL H H 448 7.783 7.783 7.937 -0.154 19213 7953 1 10 . 1 1 449 449 ALA N N 449 124.901 124.901 122.113 2.788 19213 7954 1 10 . 1 1 449 449 ALA HA H 449 4.291 4.291 4.077 0.214 19213 7955 1 10 . 1 1 449 449 ALA C C 449 181.177 181.177 179.394 1.783 19213 7956 1 10 . 1 1 449 449 ALA CA C 449 55.144 55.144 55.330 -0.186 19213 7957 1 10 . 1 1 449 449 ALA CB C 449 18.558 18.558 18.238 0.320 19213 7958 1 10 . 1 1 449 449 ALA H H 449 7.477 7.477 8.728 -1.251 19213 7959 1 10 . 1 1 450 450 LYS N N 450 118.438 118.438 120.068 -1.630 19213 7960 1 10 . 1 1 450 450 LYS HA H 450 4.194 4.194 4.143 0.051 19213 7961 1 10 . 1 1 450 450 LYS C C 450 180.027 180.027 179.153 0.874 19213 7962 1 10 . 1 1 450 450 LYS CA C 450 58.274 58.274 59.148 -0.874 19213 7963 1 10 . 1 1 450 450 LYS CB C 450 31.673 31.673 32.569 -0.896 19213 7964 1 10 . 1 1 450 450 LYS H H 450 8.835 8.835 8.355 0.480 19213 7965 1 10 . 1 1 451 451 GLY N N 451 108.035 108.035 106.858 1.177 19213 7966 1 10 . 1 1 451 451 GLY C C 451 173.706 173.706 176.111 -2.405 19213 7967 1 10 . 1 1 451 451 GLY CA C 451 47.992 47.992 47.294 0.698 19213 7968 1 10 . 1 1 451 451 GLY H H 451 8.765 8.765 8.502 0.263 19213 7969 1 10 . 1 1 452 452 ARG N N 452 122.460 122.460 120.065 2.395 19213 7970 1 10 . 1 1 452 452 ARG HA H 452 4.080 4.080 4.235 -0.155 19213 7971 1 10 . 1 1 452 452 ARG C C 452 178.863 178.863 177.520 1.343 19213 7972 1 10 . 1 1 452 452 ARG CA C 452 60.572 60.572 58.714 1.858 19213 7973 1 10 . 1 1 452 452 ARG CB C 452 30.407 30.407 29.847 0.560 19213 7974 1 10 . 1 1 452 452 ARG H H 452 8.272 8.272 7.897 0.375 19213 7975 1 10 . 1 1 453 453 GLU N N 453 119.784 119.784 120.167 -0.383 19213 7976 1 10 . 1 1 453 453 GLU HA H 453 4.096 4.096 4.118 -0.022 19213 7977 1 10 . 1 1 453 453 GLU C C 453 178.778 178.778 178.558 0.220 19213 7978 1 10 . 1 1 453 453 GLU CA C 453 59.023 59.023 58.857 0.166 19213 7979 1 10 . 1 1 453 453 GLU CB C 453 30.241 30.241 29.801 0.440 19213 7980 1 10 . 1 1 453 453 GLU H H 453 7.894 7.894 7.559 0.335 19213 7981 1 10 . 1 1 454 454 LEU N N 454 119.313 119.313 118.291 1.022 19213 7982 1 10 . 1 1 454 454 LEU HA H 454 4.171 4.171 4.084 0.087 19213 7983 1 10 . 1 1 454 454 LEU C C 454 178.457 178.457 179.071 -0.614 19213 7984 1 10 . 1 1 454 454 LEU CA C 454 57.869 57.869 57.352 0.516 19213 7985 1 10 . 1 1 454 454 LEU CB C 454 42.922 42.922 42.350 0.572 19213 7986 1 10 . 1 1 454 454 LEU H H 454 8.328 8.328 8.282 0.046 19213 7987 1 10 . 1 1 455 455 LEU N N 455 113.192 113.192 115.066 -1.874 19213 7988 1 10 . 1 1 455 455 LEU HA H 455 4.380 4.380 4.276 0.104 19213 7989 1 10 . 1 1 455 455 LEU C C 455 176.795 176.795 176.539 0.256 19213 7990 1 10 . 1 1 455 455 LEU CA C 455 54.643 54.643 54.662 -0.019 19213 7991 1 10 . 1 1 455 455 LEU CB C 455 43.897 43.897 42.232 1.665 19213 7992 1 10 . 1 1 455 455 LEU H H 455 7.424 7.424 7.402 0.022 19213 7993 1 10 . 1 1 456 456 ALA N N 456 124.175 124.175 118.827 5.348 19213 7994 1 10 . 1 1 456 456 ALA HA H 456 4.244 4.244 4.159 0.085 19213 7995 1 10 . 1 1 456 456 ALA C C 456 177.051 177.051 177.347 -0.296 19213 7996 1 10 . 1 1 456 456 ALA CA C 456 52.975 52.975 52.475 0.500 19213 7997 1 10 . 1 1 456 456 ALA CB C 456 16.514 16.514 16.314 0.200 19213 7998 1 10 . 1 1 456 456 ALA H H 456 8.573 8.573 7.244 1.329 19213 7999 1 10 . 1 1 457 457 CYS N N 457 111.282 111.282 118.551 -7.269 19213 8000 1 10 . 1 1 457 457 CYS HA H 457 5.592 5.592 4.580 1.012 19213 8001 1 10 . 1 1 457 457 CYS C C 457 172.935 172.935 174.457 -1.522 19213 8002 1 10 . 1 1 457 457 CYS CA C 457 54.876 54.876 58.456 -3.580 19213 8003 1 10 . 1 1 457 457 CYS CB C 457 29.887 29.887 29.971 -0.084 19213 8004 1 10 . 1 1 457 457 CYS H H 457 7.000 7.000 7.930 -0.930 19213 8005 1 10 . 1 1 458 458 ASP N N 458 117.373 117.373 121.385 -4.012 19213 8006 1 10 . 1 1 458 458 ASP HA H 458 4.834 4.834 4.768 0.066 19213 8007 1 10 . 1 1 458 458 ASP C C 458 175.463 175.463 175.522 -0.059 19213 8008 1 10 . 1 1 458 458 ASP CA C 458 57.972 57.972 56.279 1.693 19213 8009 1 10 . 1 1 458 458 ASP CB C 458 42.753 42.753 41.634 1.119 19213 8010 1 10 . 1 1 458 458 ASP H H 458 7.265 7.265 8.524 -1.259 19213 8011 1 10 . 1 1 459 459 ARG N N 459 117.328 117.328 118.696 -1.368 19213 8012 1 10 . 1 1 459 459 ARG HA H 459 5.511 5.511 4.996 0.515 19213 8013 1 10 . 1 1 459 459 ARG C C 459 174.652 174.652 173.461 1.191 19213 8014 1 10 . 1 1 459 459 ARG CA C 459 55.593 55.593 55.200 0.393 19213 8015 1 10 . 1 1 459 459 ARG CB C 459 35.294 35.294 33.819 1.475 19213 8016 1 10 . 1 1 459 459 ARG H H 459 8.099 8.099 7.578 0.521 19213 8017 1 10 . 1 1 460 460 VAL N N 460 127.029 127.029 123.895 3.134 19213 8018 1 10 . 1 1 460 460 VAL HA H 460 5.182 5.182 4.433 0.749 19213 8019 1 10 . 1 1 460 460 VAL C C 460 174.538 174.538 172.516 2.022 19213 8020 1 10 . 1 1 460 460 VAL CA C 460 61.684 61.684 60.698 0.986 19213 8021 1 10 . 1 1 460 460 VAL CB C 460 35.157 35.157 35.541 -0.384 19213 8022 1 10 . 1 1 460 460 VAL H H 460 9.215 9.215 8.188 1.027 19213 8023 1 10 . 1 1 461 461 ILE N N 461 118.191 118.191 127.930 -9.739 19213 8024 1 10 . 1 1 461 461 ILE HA H 461 5.269 5.269 4.389 0.880 19213 8025 1 10 . 1 1 461 461 ILE C C 461 174.436 174.436 174.167 0.269 19213 8026 1 10 . 1 1 461 461 ILE CA C 461 58.897 58.897 60.557 -1.661 19213 8027 1 10 . 1 1 461 461 ILE CB C 461 41.973 41.973 40.582 1.391 19213 8028 1 10 . 1 1 461 461 ILE H H 461 9.051 9.051 8.361 0.690 19213 8029 1 10 . 1 1 462 462 VAL N N 462 119.036 119.036 124.533 -5.497 19213 8030 1 10 . 1 1 462 462 VAL HA H 462 4.218 4.218 4.388 -0.170 19213 8031 1 10 . 1 1 462 462 VAL C C 462 173.040 173.040 174.074 -1.034 19213 8032 1 10 . 1 1 462 462 VAL CA C 462 62.382 62.382 60.883 1.499 19213 8033 1 10 . 1 1 462 462 VAL CB C 462 33.016 33.016 33.749 -0.734 19213 8034 1 10 . 1 1 462 462 VAL H H 462 7.266 7.266 8.061 -0.795 19213 8035 1 10 . 1 1 463 463 TYR N N 463 131.813 131.813 123.323 8.490 19213 8036 1 10 . 1 1 463 463 TYR HA H 463 4.634 4.634 5.056 -0.422 19213 8037 1 10 . 1 1 463 463 TYR C C 463 172.062 172.062 173.042 -0.980 19213 8038 1 10 . 1 1 463 463 TYR CA C 463 54.971 54.971 55.029 -0.058 19213 8039 1 10 . 1 1 463 463 TYR CB C 463 40.572 40.572 41.059 -0.487 19213 8040 1 10 . 1 1 463 463 TYR H H 463 8.796 8.796 7.387 1.409 19213 8041 1 10 . 1 1 464 464 ALA N N 464 127.309 127.309 123.626 3.683 19213 8042 1 10 . 1 1 464 464 ALA HA H 464 3.810 3.810 4.206 -0.396 19213 8043 1 10 . 1 1 464 464 ALA C C 464 176.605 176.605 175.753 0.852 19213 8044 1 10 . 1 1 464 464 ALA CA C 464 50.931 50.931 50.364 0.567 19213 8045 1 10 . 1 1 464 464 ALA CB C 464 21.945 21.945 19.792 2.153 19213 8046 1 10 . 1 1 464 464 ALA H H 464 8.423 8.423 8.163 0.260 19213 8047 1 10 . 1 1 465 465 PHE N N 465 119.567 119.567 119.626 -0.059 19213 8048 1 10 . 1 1 465 465 PHE HA H 465 4.635 4.635 4.477 0.158 19213 8049 1 10 . 1 1 465 465 PHE C C 465 176.576 176.576 175.632 0.944 19213 8050 1 10 . 1 1 465 465 PHE CA C 465 57.430 57.430 59.506 -2.076 19213 8051 1 10 . 1 1 465 465 PHE CB C 465 41.434 41.434 40.280 1.154 19213 8052 1 10 . 1 1 465 465 PHE H H 465 7.687 7.687 8.651 -0.964 19213 8053 1 10 . 1 1 466 466 ASP N N 466 120.914 120.914 121.843 -0.929 19213 8054 1 10 . 1 1 466 466 ASP HA H 466 4.699 4.699 4.779 -0.080 19213 8055 1 10 . 1 1 466 466 ASP C C 466 178.481 178.481 177.165 1.316 19213 8056 1 10 . 1 1 466 466 ASP CA C 466 51.837 51.837 52.167 -0.330 19213 8057 1 10 . 1 1 466 466 ASP CB C 466 40.950 40.950 43.463 -2.513 19213 8058 1 10 . 1 1 466 466 ASP H H 466 7.829 7.829 8.187 -0.358 19213 8059 1 10 . 1 1 467 467 ASP N N 467 115.889 115.889 120.014 -4.125 19213 8060 1 10 . 1 1 467 467 ASP HA H 467 4.018 4.018 4.562 -0.544 19213 8061 1 10 . 1 1 467 467 ASP C C 467 176.022 176.022 176.122 -0.100 19213 8062 1 10 . 1 1 467 467 ASP CA C 467 56.052 56.052 56.014 0.038 19213 8063 1 10 . 1 1 467 467 ASP CB C 467 40.144 40.144 40.824 -0.680 19213 8064 1 10 . 1 1 467 467 ASP H H 467 8.138 8.138 8.723 -0.585 19213 8065 1 10 . 1 1 468 468 ASN N N 468 116.903 116.903 117.186 -0.283 19213 8066 1 10 . 1 1 468 468 ASN HA H 468 4.954 4.954 4.921 0.033 19213 8067 1 10 . 1 1 468 468 ASN C C 468 174.155 174.155 174.828 -0.673 19213 8068 1 10 . 1 1 468 468 ASN CA C 468 52.052 52.052 52.406 -0.354 19213 8069 1 10 . 1 1 468 468 ASN CB C 468 39.733 39.733 37.972 1.761 19213 8070 1 10 . 1 1 468 468 ASN H H 468 8.076 8.076 8.216 -0.140 19213 8071 1 10 . 1 1 469 469 TYR N N 469 112.788 112.788 114.913 -2.125 19213 8072 1 10 . 1 1 469 469 TYR HA H 469 3.249 3.249 4.075 -0.826 19213 8073 1 10 . 1 1 469 469 TYR C C 469 175.377 175.377 174.295 1.082 19213 8074 1 10 . 1 1 469 469 TYR CA C 469 61.891 61.891 59.129 2.762 19213 8075 1 10 . 1 1 469 469 TYR CB C 469 34.352 34.352 36.585 -2.233 19213 8076 1 10 . 1 1 469 469 TYR H H 469 7.785 7.785 7.439 0.346 19213 8077 1 10 . 1 1 470 470 VAL N N 470 122.718 122.718 118.274 4.444 19213 8078 1 10 . 1 1 470 470 VAL HA H 470 4.010 4.010 4.303 -0.293 19213 8079 1 10 . 1 1 470 470 VAL CA C 470 63.699 63.699 61.614 2.085 19213 8080 1 10 . 1 1 470 470 VAL CB C 470 30.721 30.721 33.380 -2.659 19213 8081 1 10 . 1 1 470 470 VAL H H 470 8.666 8.666 7.573 1.093 19213 8082 1 10 . 1 1 471 471 GLY C C 471 170.959 170.959 173.186 -2.227 19213 8083 1 10 . 1 1 471 471 GLY CA C 471 43.674 43.674 44.123 -0.449 19213 8084 1 10 . 1 1 472 472 THR N N 472 118.003 118.003 115.451 2.552 19213 8085 1 10 . 1 1 472 472 THR HA H 472 4.931 4.931 4.409 0.522 19213 8086 1 10 . 1 1 472 472 THR C C 472 174.282 174.282 173.649 0.633 19213 8087 1 10 . 1 1 472 472 THR CA C 472 61.142 61.142 62.028 -0.886 19213 8088 1 10 . 1 1 472 472 THR CB C 472 70.941 70.941 70.655 0.286 19213 8089 1 10 . 1 1 472 472 THR H H 472 8.150 8.150 8.026 0.124 19213 8090 1 10 . 1 1 473 473 VAL N N 473 126.802 126.802 129.048 -2.246 19213 8091 1 10 . 1 1 473 473 VAL HA H 473 4.552 4.552 4.034 0.518 19213 8092 1 10 . 1 1 473 473 VAL C C 473 175.472 175.472 175.292 0.180 19213 8093 1 10 . 1 1 473 473 VAL CA C 473 62.066 62.066 63.046 -0.980 19213 8094 1 10 . 1 1 473 473 VAL CB C 473 29.572 29.572 30.094 -0.522 19213 8095 1 10 . 1 1 473 473 VAL H H 473 8.740 8.740 8.896 -0.156 19213 8096 1 10 . 1 1 474 474 VAL N N 474 122.729 122.729 126.707 -3.978 19213 8097 1 10 . 1 1 474 474 VAL HA H 474 4.394 4.394 3.958 0.436 19213 8098 1 10 . 1 1 474 474 VAL C C 474 175.653 175.653 173.848 1.805 19213 8099 1 10 . 1 1 474 474 VAL CA C 474 62.168 62.168 61.202 0.966 19213 8100 1 10 . 1 1 474 474 VAL CB C 474 32.041 32.041 32.333 -0.292 19213 8101 1 10 . 1 1 474 474 VAL H H 474 7.753 7.753 7.834 -0.081 19213 8102 1 10 . 1 1 475 475 ALA N N 475 117.768 117.768 118.982 -1.214 19213 8103 1 10 . 1 1 475 475 ALA HA H 475 4.493 4.493 4.567 -0.074 19213 8104 1 10 . 1 1 475 475 ALA C C 475 174.317 174.317 174.295 0.022 19213 8105 1 10 . 1 1 475 475 ALA CA C 475 52.144 52.144 52.031 0.113 19213 8106 1 10 . 1 1 475 475 ALA CB C 475 23.434 23.434 21.084 2.350 19213 8107 1 10 . 1 1 475 475 ALA H H 475 7.366 7.366 7.146 0.220 19213 8108 1 10 . 1 1 476 476 GLU N N 476 122.294 122.294 122.120 0.174 19213 8109 1 10 . 1 1 476 476 GLU HA H 476 5.143 5.143 4.581 0.562 19213 8110 1 10 . 1 1 476 476 GLU C C 476 173.452 173.452 174.816 -1.364 19213 8111 1 10 . 1 1 476 476 GLU CA C 476 55.216 55.216 55.803 -0.588 19213 8112 1 10 . 1 1 476 476 GLU CB C 476 36.288 36.288 33.614 2.674 19213 8113 1 10 . 1 1 476 476 GLU H H 476 8.455 8.455 8.511 -0.056 19213 8114 1 10 . 1 1 477 477 SER N N 477 121.014 121.014 120.887 0.127 19213 8115 1 10 . 1 1 477 477 SER HA H 477 4.910 4.910 4.993 -0.083 19213 8116 1 10 . 1 1 477 477 SER C C 477 173.417 173.417 172.416 1.001 19213 8117 1 10 . 1 1 477 477 SER CA C 477 56.576 56.576 57.957 -1.381 19213 8118 1 10 . 1 1 477 477 SER CB C 477 63.836 63.836 65.489 -1.653 19213 8119 1 10 . 1 1 477 477 SER H H 477 8.867 8.867 8.436 0.431 19213 8120 1 10 . 1 1 478 478 VAL N N 478 128.791 128.791 120.444 8.347 19213 8121 1 10 . 1 1 478 478 VAL HA H 478 5.361 5.361 4.807 0.554 19213 8122 1 10 . 1 1 478 478 VAL C C 478 172.729 172.729 174.954 -2.225 19213 8123 1 10 . 1 1 478 478 VAL CA C 478 58.657 58.657 59.039 -0.382 19213 8124 1 10 . 1 1 478 478 VAL CB C 478 35.971 35.971 35.100 0.871 19213 8125 1 10 . 1 1 478 478 VAL H H 478 9.143 9.143 8.444 0.699 19213 8126 1 10 . 1 1 479 479 ALA N N 479 129.671 129.671 127.809 1.862 19213 8127 1 10 . 1 1 479 479 ALA HA H 479 4.373 4.373 4.447 -0.074 19213 8128 1 10 . 1 1 479 479 ALA C C 479 176.732 176.732 177.050 -0.318 19213 8129 1 10 . 1 1 479 479 ALA CA C 479 52.231 52.231 52.181 0.050 19213 8130 1 10 . 1 1 479 479 ALA CB C 479 20.053 20.053 19.956 0.097 19213 8131 1 10 . 1 1 479 479 ALA H H 479 8.632 8.632 8.485 0.147 19213 8132 1 10 . 1 1 480 480 GLU N N 480 120.434 120.434 119.069 1.365 19213 8133 1 10 . 1 1 480 480 GLU HA H 480 4.028 4.028 4.041 -0.013 19213 8134 1 10 . 1 1 480 480 GLU C C 480 177.151 177.151 176.724 0.427 19213 8135 1 10 . 1 1 480 480 GLU CA C 480 58.179 58.179 57.397 0.782 19213 8136 1 10 . 1 1 480 480 GLU CB C 480 29.797 29.797 29.269 0.528 19213 8137 1 10 . 1 1 480 480 GLU H H 480 8.558 8.558 8.496 0.062 19213 8138 1 10 . 1 1 481 481 GLY N N 481 110.914 110.914 111.880 -0.966 19213 8139 1 10 . 1 1 481 481 GLY C C 481 174.073 174.073 173.672 0.401 19213 8140 1 10 . 1 1 481 481 GLY CA C 481 44.681 44.681 44.092 0.589 19213 8141 1 10 . 1 1 481 481 GLY H H 481 8.539 8.539 8.537 0.002 19213 8142 1 10 . 1 1 482 482 TRP N N 482 119.508 119.508 121.818 -2.310 19213 8143 1 10 . 1 1 482 482 TRP HA H 482 5.290 5.290 5.031 0.259 19213 8144 1 10 . 1 1 482 482 TRP CA C 482 53.659 53.659 54.122 -0.463 19213 8145 1 10 . 1 1 482 482 TRP CB C 482 29.487 29.487 29.702 -0.215 19213 8146 1 10 . 1 1 482 482 TRP H H 482 7.009 7.009 7.152 -0.143 19213 8147 1 10 . 1 1 483 483 PRO HA H 483 4.426 4.426 4.569 -0.143 19213 8148 1 10 . 1 1 483 483 PRO C C 483 175.722 175.722 175.653 0.069 19213 8149 1 10 . 1 1 483 483 PRO CA C 483 63.259 63.259 62.626 0.633 19213 8150 1 10 . 1 1 483 483 PRO CB C 483 33.238 33.238 32.488 0.750 19213 8151 1 10 . 1 1 484 484 GLN N N 484 121.488 121.488 122.357 -0.869 19213 8152 1 10 . 1 1 484 484 GLN HA H 484 4.936 4.936 4.415 0.521 19213 8153 1 10 . 1 1 484 484 GLN C C 484 176.405 176.405 175.192 1.213 19213 8154 1 10 . 1 1 484 484 GLN CA C 484 55.688 55.688 55.437 0.251 19213 8155 1 10 . 1 1 484 484 GLN CB C 484 29.565 29.565 30.707 -1.143 19213 8156 1 10 . 1 1 484 484 GLN H H 484 8.646 8.646 8.534 0.112 19213 8157 1 10 . 1 1 485 485 ALA N N 485 133.617 133.617 125.795 7.822 19213 8158 1 10 . 1 1 485 485 ALA HA H 485 4.340 4.340 4.534 -0.194 19213 8159 1 10 . 1 1 485 485 ALA C C 485 176.317 176.317 177.182 -0.865 19213 8160 1 10 . 1 1 485 485 ALA CA C 485 51.289 51.289 52.198 -0.909 19213 8161 1 10 . 1 1 485 485 ALA CB C 485 20.581 20.581 19.925 0.656 19213 8162 1 10 . 1 1 485 485 ALA H H 485 11.964 11.964 8.231 3.733 19213 8163 1 10 . 1 1 486 486 ARG N N 486 119.720 119.720 118.047 1.673 19213 8164 1 10 . 1 1 486 486 ARG HA H 486 3.300 3.300 4.061 -0.761 19213 8165 1 10 . 1 1 486 486 ARG C C 486 175.502 175.502 174.510 0.992 19213 8166 1 10 . 1 1 486 486 ARG CA C 486 59.200 59.200 56.965 2.235 19213 8167 1 10 . 1 1 486 486 ARG CB C 486 30.648 30.648 28.515 2.133 19213 8168 1 10 . 1 1 486 486 ARG H H 486 8.235 8.235 8.912 -0.677 19213 8169 1 10 . 1 1 487 487 ASP N N 487 119.936 119.936 111.769 8.167 19213 8170 1 10 . 1 1 487 487 ASP HA H 487 4.141 4.141 4.615 -0.474 19213 8171 1 10 . 1 1 487 487 ASP C C 487 175.557 175.557 174.559 0.998 19213 8172 1 10 . 1 1 487 487 ASP CA C 487 57.148 57.148 53.757 3.391 19213 8173 1 10 . 1 1 487 487 ASP CB C 487 39.031 39.031 39.766 -0.735 19213 8174 1 10 . 1 1 487 487 ASP H H 487 9.023 9.023 8.318 0.705 19213 8175 1 10 . 1 1 488 488 GLN N N 488 119.954 119.954 118.867 1.087 19213 8176 1 10 . 1 1 488 488 GLN HA H 488 4.147 4.147 4.605 -0.458 19213 8177 1 10 . 1 1 488 488 GLN C C 488 174.993 174.993 174.335 0.658 19213 8178 1 10 . 1 1 488 488 GLN CA C 488 57.475 57.475 54.837 2.638 19213 8179 1 10 . 1 1 488 488 GLN CB C 488 28.866 28.866 31.413 -2.547 19213 8180 1 10 . 1 1 488 488 GLN H H 488 8.200 8.200 8.100 0.100 19213 8181 1 10 . 1 1 489 489 VAL N N 489 124.202 124.202 122.446 1.756 19213 8182 1 10 . 1 1 489 489 VAL HA H 489 4.593 4.593 4.187 0.406 19213 8183 1 10 . 1 1 489 489 VAL C C 489 177.060 177.060 174.674 2.386 19213 8184 1 10 . 1 1 489 489 VAL CA C 489 61.871 61.871 60.355 1.516 19213 8185 1 10 . 1 1 489 489 VAL CB C 489 32.575 32.575 33.097 -0.522 19213 8186 1 10 . 1 1 489 489 VAL H H 489 8.379 8.379 8.422 -0.043 19213 8187 1 10 . 1 1 490 490 ILE N N 490 128.772 128.772 128.666 0.106 19213 8188 1 10 . 1 1 490 490 ILE HA H 490 4.433 4.433 4.274 0.159 19213 8189 1 10 . 1 1 490 490 ILE C C 490 174.634 174.634 174.571 0.063 19213 8190 1 10 . 1 1 490 490 ILE CA C 490 60.464 60.464 60.588 -0.124 19213 8191 1 10 . 1 1 490 490 ILE CB C 490 41.025 41.025 39.085 1.940 19213 8192 1 10 . 1 1 490 490 ILE H H 490 8.952 8.952 7.816 1.136 19213 8193 1 10 . 1 1 491 491 GLU N N 491 130.867 130.867 127.275 3.592 19213 8194 1 10 . 1 1 491 491 GLU HA H 491 4.598 4.598 4.527 0.071 19213 8195 1 10 . 1 1 491 491 GLU C C 491 174.015 174.015 174.439 -0.424 19213 8196 1 10 . 1 1 491 491 GLU CA C 491 55.930 55.930 55.560 0.370 19213 8197 1 10 . 1 1 491 491 GLU CB C 491 28.942 28.942 31.054 -2.112 19213 8198 1 10 . 1 1 491 491 GLU H H 491 9.289 9.289 8.614 0.675 19213 8199 1 10 . 1 1 492 492 ASP N N 492 130.401 130.401 123.945 6.456 19213 8200 1 10 . 1 1 492 492 ASP HA H 492 5.210 5.210 5.014 0.196 19213 8201 1 10 . 1 1 492 492 ASP CA C 492 50.160 50.160 51.543 -1.383 19213 8202 1 10 . 1 1 492 492 ASP CB C 492 43.965 43.965 42.786 1.179 19213 8203 1 10 . 1 1 492 492 ASP H H 492 9.437 9.437 8.416 1.021 19213 8204 1 10 . 1 1 493 493 PRO HA H 493 4.359 4.359 4.355 0.004 19213 8205 1 10 . 1 1 493 493 PRO C C 493 176.079 176.079 175.851 0.228 19213 8206 1 10 . 1 1 493 493 PRO CA C 493 63.617 63.617 62.849 0.769 19213 8207 1 10 . 1 1 493 493 PRO CB C 493 33.300 33.300 29.986 3.313 19213 8208 1 10 . 1 1 494 494 CYS N N 494 117.251 117.251 118.340 -1.089 19213 8209 1 10 . 1 1 494 494 CYS HA H 494 4.147 4.147 4.527 -0.380 19213 8210 1 10 . 1 1 494 494 CYS C C 494 176.789 176.789 176.098 0.691 19213 8211 1 10 . 1 1 494 494 CYS CA C 494 58.195 58.195 59.854 -1.659 19213 8212 1 10 . 1 1 494 494 CYS CB C 494 33.343 33.343 28.603 4.740 19213 8213 1 10 . 1 1 494 494 CYS H H 494 8.806 8.806 8.074 0.732 19213 8214 1 10 . 1 1 495 495 PHE N N 495 118.785 118.785 120.502 -1.717 19213 8215 1 10 . 1 1 495 495 PHE HA H 495 4.328 4.328 4.607 -0.279 19213 8216 1 10 . 1 1 495 495 PHE C C 495 176.529 176.529 177.880 -1.351 19213 8217 1 10 . 1 1 495 495 PHE CA C 495 63.265 63.265 59.940 3.325 19213 8218 1 10 . 1 1 495 495 PHE CB C 495 37.239 37.239 37.721 -0.483 19213 8219 1 10 . 1 1 495 495 PHE H H 495 6.799 6.799 8.167 -1.368 19213 8220 1 10 . 1 1 496 496 ARG N N 496 118.755 118.755 119.258 -0.503 19213 8221 1 10 . 1 1 496 496 ARG HA H 496 3.692 3.692 3.466 0.226 19213 8222 1 10 . 1 1 496 496 ARG C C 496 178.119 178.119 176.418 1.701 19213 8223 1 10 . 1 1 496 496 ARG CA C 496 58.495 58.495 58.307 0.188 19213 8224 1 10 . 1 1 496 496 ARG CB C 496 29.942 29.942 28.438 1.504 19213 8225 1 10 . 1 1 496 496 ARG H H 496 9.000 9.000 6.000 3.000 19213 8226 1 10 . 1 1 497 497 GLU N N 497 115.895 115.895 118.233 -2.338 19213 8227 1 10 . 1 1 497 497 GLU HA H 497 3.858 3.858 3.939 -0.081 19213 8228 1 10 . 1 1 497 497 GLU C C 497 177.981 177.981 177.499 0.482 19213 8229 1 10 . 1 1 497 497 GLU CA C 497 58.920 58.920 57.764 1.156 19213 8230 1 10 . 1 1 497 497 GLU CB C 497 29.841 29.841 29.519 0.322 19213 8231 1 10 . 1 1 497 497 GLU H H 497 7.849 7.849 7.864 -0.015 19213 8232 1 10 . 1 1 498 498 HIS N N 498 111.119 111.119 116.459 -5.340 19213 8233 1 10 . 1 1 498 498 HIS HA H 498 4.710 4.710 4.663 0.047 19213 8234 1 10 . 1 1 498 498 HIS CA C 498 55.904 55.904 57.874 -1.970 19213 8235 1 10 . 1 1 498 498 HIS CB C 498 30.890 30.890 30.458 0.432 19213 8236 1 10 . 1 1 498 498 HIS H H 498 7.717 7.717 7.197 0.520 19213 8237 1 10 . 1 1 499 499 TRP HA H 499 5.476 5.476 4.661 0.815 19213 8238 1 10 . 1 1 499 499 TRP C C 499 176.398 176.398 177.486 -1.088 19213 8239 1 10 . 1 1 499 499 TRP CA C 499 58.111 58.111 60.398 -2.287 19213 8240 1 10 . 1 1 499 499 TRP CB C 499 34.294 34.294 28.919 5.375 19213 8241 1 10 . 1 1 500 500 VAL N N 500 121.907 121.907 122.014 -0.107 19213 8242 1 10 . 1 1 500 500 VAL HA H 500 3.421 3.421 3.382 0.039 19213 8243 1 10 . 1 1 500 500 VAL C C 500 177.163 177.163 177.096 0.067 19213 8244 1 10 . 1 1 500 500 VAL CA C 500 68.043 68.043 67.515 0.528 19213 8245 1 10 . 1 1 500 500 VAL CB C 500 31.127 31.127 31.837 -0.710 19213 8246 1 10 . 1 1 500 500 VAL H H 500 8.071 8.071 7.689 0.382 19213 8247 1 10 . 1 1 501 501 GLU N N 501 117.634 117.634 119.914 -2.280 19213 8248 1 10 . 1 1 501 501 GLU HA H 501 4.130 4.130 3.893 0.237 19213 8249 1 10 . 1 1 501 501 GLU C C 501 178.314 178.314 178.446 -0.132 19213 8250 1 10 . 1 1 501 501 GLU CA C 501 58.781 58.781 59.572 -0.791 19213 8251 1 10 . 1 1 501 501 GLU CB C 501 28.631 28.631 29.351 -0.720 19213 8252 1 10 . 1 1 501 501 GLU H H 501 8.188 8.188 8.475 -0.287 19213 8253 1 10 . 1 1 502 502 ALA N N 502 120.830 120.830 121.485 -0.655 19213 8254 1 10 . 1 1 502 502 ALA HA H 502 4.106 4.106 4.095 0.011 19213 8255 1 10 . 1 1 502 502 ALA C C 502 181.963 181.963 180.400 1.563 19213 8256 1 10 . 1 1 502 502 ALA CA C 502 54.953 54.953 55.005 -0.052 19213 8257 1 10 . 1 1 502 502 ALA CB C 502 18.558 18.558 18.203 0.355 19213 8258 1 10 . 1 1 502 502 ALA H H 502 7.996 7.996 7.896 0.100 19213 8259 1 10 . 1 1 503 503 TYR N N 503 118.238 118.238 118.933 -0.695 19213 8260 1 10 . 1 1 503 503 TYR HA H 503 4.362 4.362 4.416 -0.054 19213 8261 1 10 . 1 1 503 503 TYR C C 503 178.723 178.723 179.143 -0.420 19213 8262 1 10 . 1 1 503 503 TYR CA C 503 64.148 64.148 60.020 4.128 19213 8263 1 10 . 1 1 503 503 TYR CB C 503 39.126 39.126 38.004 1.123 19213 8264 1 10 . 1 1 503 503 TYR H H 503 8.665 8.665 8.560 0.105 19213 8265 1 10 . 1 1 504 504 ARG N N 504 121.723 121.723 117.719 4.004 19213 8266 1 10 . 1 1 504 504 ARG HA H 504 3.905 3.905 4.089 -0.184 19213 8267 1 10 . 1 1 504 504 ARG C C 504 177.714 177.714 177.765 -0.051 19213 8268 1 10 . 1 1 504 504 ARG CA C 504 59.679 59.679 58.745 0.934 19213 8269 1 10 . 1 1 504 504 ARG CB C 504 30.495 30.495 29.325 1.170 19213 8270 1 10 . 1 1 504 504 ARG H H 504 8.824 8.824 8.032 0.792 19213 8271 1 10 . 1 1 505 505 GLN N N 505 113.473 113.473 115.608 -2.135 19213 8272 1 10 . 1 1 505 505 GLN HA H 505 4.332 4.332 4.368 -0.036 19213 8273 1 10 . 1 1 505 505 GLN C C 505 176.403 176.403 176.766 -0.363 19213 8274 1 10 . 1 1 505 505 GLN CA C 505 55.387 55.387 55.290 0.097 19213 8275 1 10 . 1 1 505 505 GLN CB C 505 28.792 28.792 28.945 -0.153 19213 8276 1 10 . 1 1 505 505 GLN H H 505 7.613 7.613 7.587 0.026 19213 8277 1 10 . 1 1 506 506 GLY N N 506 106.968 106.968 107.396 -0.428 19213 8278 1 10 . 1 1 506 506 GLY C C 506 174.133 174.133 174.034 0.099 19213 8279 1 10 . 1 1 506 506 GLY CA C 506 45.874 45.874 44.896 0.978 19213 8280 1 10 . 1 1 506 506 GLY H H 506 7.867 7.867 8.325 -0.458 19213 8281 1 10 . 1 1 507 507 ARG N N 507 123.761 123.761 120.100 3.661 19213 8282 1 10 . 1 1 507 507 ARG HA H 507 3.717 3.717 4.552 -0.835 19213 8283 1 10 . 1 1 507 507 ARG C C 507 171.000 171.000 176.070 -5.070 19213 8284 1 10 . 1 1 507 507 ARG CA C 507 58.285 58.285 55.392 2.893 19213 8285 1 10 . 1 1 507 507 ARG CB C 507 29.901 29.901 31.797 -1.895 19213 8286 1 10 . 1 1 507 507 ARG H H 507 7.858 7.858 7.760 0.098 19213 8287 1 10 . 1 1 508 508 ILE N N 508 119.641 119.641 114.464 5.177 19213 8288 1 10 . 1 1 508 508 ILE HA H 508 4.859 4.859 4.499 0.360 19213 8289 1 10 . 1 1 508 508 ILE C C 508 176.521 176.521 174.686 1.835 19213 8290 1 10 . 1 1 508 508 ILE CA C 508 59.199 59.199 59.141 0.058 19213 8291 1 10 . 1 1 508 508 ILE CB C 508 42.573 42.573 41.914 0.659 19213 8292 1 10 . 1 1 508 508 ILE H H 508 7.180 7.180 7.987 -0.807 19213 8293 1 10 . 1 1 509 509 GLN N N 509 125.871 125.871 122.261 3.610 19213 8294 1 10 . 1 1 509 509 GLN HA H 509 4.918 4.918 4.554 0.363 19213 8295 1 10 . 1 1 509 509 GLN C C 509 173.750 173.750 173.699 0.051 19213 8296 1 10 . 1 1 509 509 GLN CA C 509 54.255 54.255 54.873 -0.618 19213 8297 1 10 . 1 1 509 509 GLN CB C 509 32.267 32.267 32.310 -0.043 19213 8298 1 10 . 1 1 509 509 GLN H H 509 8.536 8.536 8.311 0.225 19213 8299 1 10 . 1 1 510 510 ALA N N 510 133.952 133.952 130.036 3.916 19213 8300 1 10 . 1 1 510 510 ALA HA H 510 4.946 4.946 5.812 -0.866 19213 8301 1 10 . 1 1 510 510 ALA C C 510 175.742 175.742 176.766 -1.024 19213 8302 1 10 . 1 1 510 510 ALA CA C 510 51.009 51.009 50.748 0.261 19213 8303 1 10 . 1 1 510 510 ALA CB C 510 21.245 21.245 21.244 0.001 19213 8304 1 10 . 1 1 510 510 ALA H H 510 8.865 8.865 8.494 0.371 19213 8305 1 10 . 1 1 511 511 THR N N 511 121.442 121.442 121.548 -0.106 19213 8306 1 10 . 1 1 511 511 THR HA H 511 4.652 4.652 4.774 -0.122 19213 8307 1 10 . 1 1 511 511 THR C C 511 174.487 174.487 174.835 -0.348 19213 8308 1 10 . 1 1 511 511 THR CA C 511 62.152 62.152 61.158 0.994 19213 8309 1 10 . 1 1 511 511 THR CB C 511 69.678 69.678 70.128 -0.450 19213 8310 1 10 . 1 1 511 511 THR H H 511 9.368 9.368 9.032 0.336 19213 8311 1 10 . 1 1 512 512 THR N N 512 126.491 126.491 119.533 6.958 19213 8312 1 10 . 1 1 512 512 THR HA H 512 4.706 4.706 4.036 0.670 19213 8313 1 10 . 1 1 512 512 THR C C 512 173.054 173.054 174.515 -1.461 19213 8314 1 10 . 1 1 512 512 THR CA C 512 63.609 63.609 65.939 -2.330 19213 8315 1 10 . 1 1 512 512 THR CB C 512 69.408 69.408 69.075 0.333 19213 8316 1 10 . 1 1 512 512 THR H H 512 8.829 8.829 8.370 0.459 19213 8317 1 10 . 1 1 513 513 ASP N N 513 113.706 113.706 119.710 -6.004 19213 8318 1 10 . 1 1 513 513 ASP HA H 513 5.022 5.022 5.002 0.020 19213 8319 1 10 . 1 1 513 513 ASP C C 513 179.097 179.097 177.111 1.986 19213 8320 1 10 . 1 1 513 513 ASP CA C 513 52.164 52.164 52.153 0.011 19213 8321 1 10 . 1 1 513 513 ASP CB C 513 42.331 42.331 40.903 1.428 19213 8322 1 10 . 1 1 513 513 ASP H H 513 7.272 7.272 7.980 -0.708 19213 8323 1 10 . 1 1 514 514 ILE N N 514 123.327 123.327 122.310 1.017 19213 8324 1 10 . 1 1 514 514 ILE HA H 514 3.636 3.636 3.989 -0.353 19213 8325 1 10 . 1 1 514 514 ILE C C 514 175.769 175.769 176.374 -0.605 19213 8326 1 10 . 1 1 514 514 ILE CA C 514 63.545 63.545 63.815 -0.270 19213 8327 1 10 . 1 1 514 514 ILE CB C 514 38.180 38.180 37.391 0.789 19213 8328 1 10 . 1 1 514 514 ILE H H 514 8.916 8.916 8.414 0.502 19213 8329 1 10 . 1 1 515 515 PHE N N 515 117.344 117.344 118.898 -1.554 19213 8330 1 10 . 1 1 515 515 PHE HA H 515 4.517 4.517 4.405 0.112 19213 8331 1 10 . 1 1 515 515 PHE C C 515 176.514 176.514 176.594 -0.080 19213 8332 1 10 . 1 1 515 515 PHE CA C 515 58.401 58.401 60.075 -1.674 19213 8333 1 10 . 1 1 515 515 PHE CB C 515 37.600 37.600 38.725 -1.125 19213 8334 1 10 . 1 1 515 515 PHE H H 515 8.154 8.154 8.022 0.132 19213 8335 1 10 . 1 1 516 516 LYS N N 516 120.351 120.351 116.401 3.950 19213 8336 1 10 . 1 1 516 516 LYS HA H 516 4.715 4.715 4.409 0.306 19213 8337 1 10 . 1 1 516 516 LYS C C 516 175.486 175.486 176.098 -0.612 19213 8338 1 10 . 1 1 516 516 LYS CA C 516 54.831 54.831 56.240 -1.409 19213 8339 1 10 . 1 1 516 516 LYS CB C 516 33.581 33.581 33.883 -0.302 19213 8340 1 10 . 1 1 516 516 LYS H H 516 7.634 7.634 8.326 -0.692 19213 8341 1 10 . 1 1 517 517 ALA N N 517 122.264 122.264 122.365 -0.101 19213 8342 1 10 . 1 1 517 517 ALA HA H 517 4.561 4.561 4.543 0.018 19213 8343 1 10 . 1 1 517 517 ALA C C 517 176.799 176.799 176.519 0.280 19213 8344 1 10 . 1 1 517 517 ALA CA C 517 51.980 51.980 52.100 -0.120 19213 8345 1 10 . 1 1 517 517 ALA CB C 517 20.779 20.779 19.921 0.859 19213 8346 1 10 . 1 1 517 517 ALA H H 517 7.552 7.552 7.287 0.265 19213 8347 1 10 . 1 1 518 518 GLY N N 518 110.102 110.102 112.169 -2.067 19213 8348 1 10 . 1 1 518 518 GLY C C 518 175.260 175.260 175.139 0.121 19213 8349 1 10 . 1 1 518 518 GLY CA C 518 46.252 46.252 44.631 1.621 19213 8350 1 10 . 1 1 518 518 GLY H H 518 8.499 8.499 8.532 -0.033 19213 8351 1 10 . 1 1 519 519 LEU N N 519 120.980 120.980 120.799 0.181 19213 8352 1 10 . 1 1 519 519 LEU HA H 519 4.285 4.285 4.134 0.151 19213 8353 1 10 . 1 1 519 519 LEU C C 519 176.687 176.687 176.996 -0.309 19213 8354 1 10 . 1 1 519 519 LEU CA C 519 54.291 54.291 54.965 -0.674 19213 8355 1 10 . 1 1 519 519 LEU CB C 519 42.942 42.942 39.452 3.490 19213 8356 1 10 . 1 1 519 519 LEU H H 519 8.418 8.418 8.467 -0.049 19213 8357 1 10 . 1 1 520 520 THR N N 520 107.429 107.429 116.069 -8.640 19213 8358 1 10 . 1 1 520 520 THR HA H 520 4.420 4.420 4.264 0.156 19213 8359 1 10 . 1 1 520 520 THR CA C 520 60.231 60.231 62.084 -1.853 19213 8360 1 10 . 1 1 520 520 THR CB C 520 71.205 71.205 69.664 1.541 19213 8361 1 10 . 1 1 520 520 THR H H 520 6.149 6.149 7.947 -1.798 19213 8362 1 10 . 1 1 521 521 GLU N N 521 118.700 118.700 119.868 -1.168 19213 8363 1 10 . 1 1 521 521 GLU HA H 521 4.173 4.173 4.331 -0.158 19213 8364 1 10 . 1 1 521 521 GLU C C 521 176.567 176.567 178.558 -1.991 19213 8365 1 10 . 1 1 521 521 GLU CA C 521 57.220 57.220 57.676 -0.456 19213 8366 1 10 . 1 1 521 521 GLU CB C 521 30.353 30.353 29.757 0.596 19213 8367 1 10 . 1 1 521 521 GLU H H 521 7.290 7.290 8.777 -1.487 19213 8368 1 10 . 1 1 522 522 CYS N N 522 121.185 121.185 117.177 4.008 19213 8369 1 10 . 1 1 522 522 CYS HA H 522 4.139 4.139 4.427 -0.288 19213 8370 1 10 . 1 1 522 522 CYS C C 522 177.769 177.769 177.286 0.483 19213 8371 1 10 . 1 1 522 522 CYS CA C 522 61.379 61.379 61.146 0.233 19213 8372 1 10 . 1 1 522 522 CYS CB C 522 32.851 32.851 26.402 6.449 19213 8373 1 10 . 1 1 522 522 CYS H H 522 8.218 8.218 8.457 -0.239 19213 8374 1 10 . 1 1 523 523 HIS N N 523 117.000 117.000 121.546 -4.546 19213 8375 1 10 . 1 1 523 523 HIS HA H 523 3.796 3.796 4.263 -0.467 19213 8376 1 10 . 1 1 523 523 HIS C C 523 177.832 177.832 177.007 0.825 19213 8377 1 10 . 1 1 523 523 HIS CA C 523 59.058 59.058 59.459 -0.401 19213 8378 1 10 . 1 1 523 523 HIS CB C 523 28.841 28.841 29.313 -0.472 19213 8379 1 10 . 1 1 523 523 HIS H H 523 7.333 7.333 8.227 -0.894 19213 8380 1 10 . 1 1 524 524 LEU N N 524 117.403 117.403 117.944 -0.541 19213 8381 1 10 . 1 1 524 524 LEU HA H 524 3.792 3.792 3.549 0.243 19213 8382 1 10 . 1 1 524 524 LEU C C 524 180.184 180.184 178.605 1.579 19213 8383 1 10 . 1 1 524 524 LEU CA C 524 58.223 58.223 57.827 0.396 19213 8384 1 10 . 1 1 524 524 LEU CB C 524 41.482 41.482 41.350 0.132 19213 8385 1 10 . 1 1 524 524 LEU H H 524 8.582 8.582 8.462 0.120 19213 8386 1 10 . 1 1 525 525 ASN N N 525 118.149 118.149 113.481 4.668 19213 8387 1 10 . 1 1 525 525 ASN HA H 525 4.534 4.534 4.482 0.052 19213 8388 1 10 . 1 1 525 525 ASN C C 525 177.023 177.023 176.156 0.867 19213 8389 1 10 . 1 1 525 525 ASN CA C 525 55.784 55.784 54.870 0.914 19213 8390 1 10 . 1 1 525 525 ASN CB C 525 38.017 38.017 37.986 0.031 19213 8391 1 10 . 1 1 525 525 ASN H H 525 9.226 9.226 7.849 1.377 19213 8392 1 10 . 1 1 526 526 GLN N N 526 115.619 115.619 118.783 -3.164 19213 8393 1 10 . 1 1 526 526 GLN HA H 526 4.358 4.358 4.260 0.098 19213 8394 1 10 . 1 1 526 526 GLN C C 526 175.801 175.801 177.006 -1.205 19213 8395 1 10 . 1 1 526 526 GLN CA C 526 57.008 57.008 57.888 -0.880 19213 8396 1 10 . 1 1 526 526 GLN CB C 526 28.586 28.586 29.546 -0.960 19213 8397 1 10 . 1 1 526 526 GLN H H 526 7.290 7.290 7.654 -0.364 19213 8398 1 10 . 1 1 527 527 LEU N N 527 115.651 115.651 118.728 -3.077 19213 8399 1 10 . 1 1 527 527 LEU HA H 527 4.130 4.130 4.303 -0.173 19213 8400 1 10 . 1 1 527 527 LEU C C 527 178.587 178.587 177.935 0.652 19213 8401 1 10 . 1 1 527 527 LEU CA C 527 55.568 55.568 55.161 0.407 19213 8402 1 10 . 1 1 527 527 LEU CB C 527 42.148 42.148 41.709 0.439 19213 8403 1 10 . 1 1 527 527 LEU H H 527 6.944 6.944 7.760 -0.816 19213 8404 1 10 . 1 1 528 528 ARG N N 528 121.110 121.110 120.953 0.157 19213 8405 1 10 . 1 1 528 528 ARG HA H 528 4.310 4.310 4.092 0.218 19213 8406 1 10 . 1 1 528 528 ARG CA C 528 61.278 61.278 61.396 -0.118 19213 8407 1 10 . 1 1 528 528 ARG CB C 528 28.800 28.800 28.554 0.246 19213 8408 1 10 . 1 1 528 528 ARG H H 528 8.246 8.246 7.509 0.737 19213 8409 1 10 . 1 1 529 529 PRO HA H 529 4.432 4.432 4.321 0.111 19213 8410 1 10 . 1 1 529 529 PRO C C 529 177.119 177.119 177.428 -0.309 19213 8411 1 10 . 1 1 529 529 PRO CA C 529 65.500 65.500 64.603 0.897 19213 8412 1 10 . 1 1 529 529 PRO CB C 529 31.079 31.079 31.427 -0.348 19213 8413 1 10 . 1 1 530 530 LEU N N 530 113.140 113.140 116.673 -3.533 19213 8414 1 10 . 1 1 530 530 LEU HA H 530 4.186 4.186 4.401 -0.215 19213 8415 1 10 . 1 1 530 530 LEU C C 530 176.839 176.839 177.197 -0.358 19213 8416 1 10 . 1 1 530 530 LEU CA C 530 54.360 54.360 54.651 -0.291 19213 8417 1 10 . 1 1 530 530 LEU CB C 530 42.962 42.962 42.134 0.828 19213 8418 1 10 . 1 1 530 530 LEU H H 530 6.908 6.908 7.680 -0.772 19213 8419 1 10 . 1 1 531 531 LYS N N 531 114.250 114.250 116.127 -1.877 19213 8420 1 10 . 1 1 531 531 LYS HA H 531 3.881 3.881 3.897 -0.016 19213 8421 1 10 . 1 1 531 531 LYS C C 531 173.063 173.063 175.393 -2.330 19213 8422 1 10 . 1 1 531 531 LYS CA C 531 57.573 57.573 56.807 0.766 19213 8423 1 10 . 1 1 531 531 LYS CB C 531 28.802 28.802 30.313 -1.511 19213 8424 1 10 . 1 1 531 531 LYS H H 531 8.120 8.120 7.466 0.654 19213 8425 1 10 . 1 1 532 532 VAL N N 532 115.759 115.759 118.338 -2.579 19213 8426 1 10 . 1 1 532 532 VAL HA H 532 3.000 3.000 3.754 -0.754 19213 8427 1 10 . 1 1 532 532 VAL C C 532 174.337 174.337 175.715 -1.378 19213 8428 1 10 . 1 1 532 532 VAL CA C 532 64.525 64.525 64.104 0.421 19213 8429 1 10 . 1 1 532 532 VAL CB C 532 32.785 32.785 31.530 1.254 19213 8430 1 10 . 1 1 532 532 VAL H H 532 6.477 6.477 7.401 -0.924 19213 8431 1 10 . 1 1 533 533 ARG N N 533 123.594 123.594 128.766 -5.172 19213 8432 1 10 . 1 1 533 533 ARG HA H 533 4.457 4.457 4.687 -0.230 19213 8433 1 10 . 1 1 533 533 ARG C C 533 173.662 173.662 174.519 -0.857 19213 8434 1 10 . 1 1 533 533 ARG CA C 533 53.844 53.844 55.152 -1.308 19213 8435 1 10 . 1 1 533 533 ARG CB C 533 31.242 31.242 30.412 0.830 19213 8436 1 10 . 1 1 533 533 ARG H H 533 8.917 8.917 7.959 0.958 19213 8437 1 10 . 1 1 534 534 ALA N N 534 123.107 123.107 122.641 0.466 19213 8438 1 10 . 1 1 534 534 ALA HA H 534 4.663 4.663 5.190 -0.527 19213 8439 1 10 . 1 1 534 534 ALA C C 534 176.608 176.608 175.003 1.605 19213 8440 1 10 . 1 1 534 534 ALA CA C 534 51.456 51.456 51.842 -0.386 19213 8441 1 10 . 1 1 534 534 ALA CB C 534 25.134 25.134 21.085 4.049 19213 8442 1 10 . 1 1 534 534 ALA H H 534 8.338 8.338 7.844 0.494 19213 8443 1 10 . 1 1 535 535 ASN N N 535 117.841 117.841 117.199 0.642 19213 8444 1 10 . 1 1 535 535 ASN HA H 535 6.000 6.000 4.945 1.055 19213 8445 1 10 . 1 1 535 535 ASN C C 535 170.841 170.841 173.098 -2.257 19213 8446 1 10 . 1 1 535 535 ASN CA C 535 52.258 52.258 53.719 -1.461 19213 8447 1 10 . 1 1 535 535 ASN CB C 535 42.060 42.060 40.808 1.252 19213 8448 1 10 . 1 1 535 535 ASN H H 535 9.052 9.052 8.687 0.365 19213 8449 1 10 . 1 1 536 536 LEU N N 536 123.199 123.199 127.675 -4.476 19213 8450 1 10 . 1 1 536 536 LEU HA H 536 4.667 4.667 4.760 -0.093 19213 8451 1 10 . 1 1 536 536 LEU C C 536 173.345 173.345 173.462 -0.117 19213 8452 1 10 . 1 1 536 536 LEU CA C 536 54.258 54.258 53.200 1.058 19213 8453 1 10 . 1 1 536 536 LEU CB C 536 43.282 43.282 44.880 -1.597 19213 8454 1 10 . 1 1 536 536 LEU H H 536 8.163 8.163 7.587 0.576 19213 8455 1 10 . 1 1 537 537 VAL N N 537 128.390 128.390 124.051 4.339 19213 8456 1 10 . 1 1 537 537 VAL HA H 537 4.428 4.428 4.604 -0.176 19213 8457 1 10 . 1 1 537 537 VAL C C 537 174.411 174.411 173.784 0.627 19213 8458 1 10 . 1 1 537 537 VAL CA C 537 62.112 62.112 59.425 2.687 19213 8459 1 10 . 1 1 537 537 VAL CB C 537 34.747 34.747 33.289 1.458 19213 8460 1 10 . 1 1 537 537 VAL H H 537 8.881 8.881 7.758 1.123 19213 8461 1 10 . 1 1 538 538 VAL N N 538 118.758 118.758 125.626 -6.868 19213 8462 1 10 . 1 1 538 538 VAL HA H 538 5.360 5.360 4.428 0.932 19213 8463 1 10 . 1 1 538 538 VAL CA C 538 56.783 56.783 58.439 -1.656 19213 8464 1 10 . 1 1 538 538 VAL CB C 538 33.069 33.069 34.727 -1.658 19213 8465 1 10 . 1 1 538 538 VAL H H 538 8.456 8.456 8.688 -0.232 19213 8466 1 10 . 1 1 539 539 PRO HA H 539 4.832 4.832 4.627 0.205 19213 8467 1 10 . 1 1 539 539 PRO C C 539 175.835 175.835 175.764 0.071 19213 8468 1 10 . 1 1 539 539 PRO CA C 539 62.909 62.909 62.929 -0.020 19213 8469 1 10 . 1 1 539 539 PRO CB C 539 34.483 34.483 32.111 2.372 19213 8470 1 10 . 1 1 540 540 MET N N 540 116.774 116.774 123.891 -7.117 19213 8471 1 10 . 1 1 540 540 MET HA H 540 4.372 4.372 4.882 -0.510 19213 8472 1 10 . 1 1 540 540 MET C C 540 173.982 173.982 174.896 -0.914 19213 8473 1 10 . 1 1 540 540 MET CA C 540 55.763 55.763 53.578 2.186 19213 8474 1 10 . 1 1 540 540 MET CB C 540 35.394 35.394 34.120 1.274 19213 8475 1 10 . 1 1 540 540 MET H H 540 8.212 8.212 8.202 0.010 19213 8476 1 10 . 1 1 541 541 VAL N N 541 127.382 127.382 124.656 2.726 19213 8477 1 10 . 1 1 541 541 VAL HA H 541 4.851 4.851 4.994 -0.143 19213 8478 1 10 . 1 1 541 541 VAL C C 541 174.789 174.789 175.435 -0.646 19213 8479 1 10 . 1 1 541 541 VAL CA C 541 61.847 61.847 61.370 0.477 19213 8480 1 10 . 1 1 541 541 VAL CB C 541 33.092 33.092 33.418 -0.326 19213 8481 1 10 . 1 1 541 541 VAL H H 541 8.342 8.342 8.668 -0.326 19213 8482 1 10 . 1 1 542 542 ILE N N 542 126.100 126.100 128.310 -2.210 19213 8483 1 10 . 1 1 542 542 ILE HA H 542 4.225 4.225 4.357 -0.132 19213 8484 1 10 . 1 1 542 542 ILE C C 542 176.127 176.127 175.641 0.486 19213 8485 1 10 . 1 1 542 542 ILE CA C 542 60.535 60.535 59.846 0.689 19213 8486 1 10 . 1 1 542 542 ILE CB C 542 41.569 41.569 41.382 0.187 19213 8487 1 10 . 1 1 542 542 ILE H H 542 8.687 8.687 9.226 -0.539 19213 8488 1 10 . 1 1 543 543 ASP N N 543 132.060 132.060 126.166 5.894 19213 8489 1 10 . 1 1 543 543 ASP HA H 543 4.203 4.203 4.315 -0.112 19213 8490 1 10 . 1 1 543 543 ASP C C 543 175.231 175.231 175.178 0.053 19213 8491 1 10 . 1 1 543 543 ASP CA C 543 55.725 55.725 55.553 0.172 19213 8492 1 10 . 1 1 543 543 ASP CB C 543 39.705 39.705 39.170 0.535 19213 8493 1 10 . 1 1 543 543 ASP H H 543 10.386 10.386 8.962 1.424 19213 8494 1 10 . 1 1 544 544 ASP N N 544 111.355 111.355 110.375 0.980 19213 8495 1 10 . 1 1 544 544 ASP HA H 544 4.109 4.109 4.212 -0.103 19213 8496 1 10 . 1 1 544 544 ASP C C 544 174.479 174.479 174.608 -0.129 19213 8497 1 10 . 1 1 544 544 ASP CA C 544 55.744 55.744 55.544 0.200 19213 8498 1 10 . 1 1 544 544 ASP CB C 544 41.048 41.048 39.567 1.481 19213 8499 1 10 . 1 1 544 544 ASP H H 544 8.812 8.812 8.702 0.110 19213 8500 1 10 . 1 1 545 545 GLN N N 545 117.226 117.226 116.576 0.650 19213 8501 1 10 . 1 1 545 545 GLN HA H 545 4.582 4.582 4.589 -0.007 19213 8502 1 10 . 1 1 545 545 GLN C C 545 174.762 174.762 174.706 0.056 19213 8503 1 10 . 1 1 545 545 GLN CA C 545 53.703 53.703 54.189 -0.486 19213 8504 1 10 . 1 1 545 545 GLN CB C 545 31.687 31.687 32.545 -0.858 19213 8505 1 10 . 1 1 545 545 GLN H H 545 7.884 7.884 8.330 -0.446 19213 8506 1 10 . 1 1 546 546 LEU N N 546 123.783 123.783 126.868 -3.085 19213 8507 1 10 . 1 1 546 546 LEU HA H 546 4.590 4.590 4.497 0.093 19213 8508 1 10 . 1 1 546 546 LEU C C 546 174.041 174.041 176.364 -2.323 19213 8509 1 10 . 1 1 546 546 LEU CA C 546 55.029 55.029 55.246 -0.217 19213 8510 1 10 . 1 1 546 546 LEU CB C 546 42.361 42.361 41.478 0.883 19213 8511 1 10 . 1 1 546 546 LEU H H 546 9.175 9.175 8.818 0.357 19213 8512 1 10 . 1 1 547 547 PHE N N 547 132.161 132.161 125.514 6.647 19213 8513 1 10 . 1 1 547 547 PHE HA H 547 4.564 4.564 4.689 -0.125 19213 8514 1 10 . 1 1 547 547 PHE C C 547 176.063 176.063 174.480 1.583 19213 8515 1 10 . 1 1 547 547 PHE CA C 547 59.445 59.445 58.392 1.053 19213 8516 1 10 . 1 1 547 547 PHE CB C 547 41.069 41.069 40.892 0.177 19213 8517 1 10 . 1 1 547 547 PHE H H 547 8.925 8.925 7.928 0.997 19213 8518 1 10 . 1 1 548 548 GLY N N 548 103.713 103.713 104.315 -0.602 19213 8519 1 10 . 1 1 548 548 GLY C C 548 169.176 169.176 171.057 -1.881 19213 8520 1 10 . 1 1 548 548 GLY CA C 548 45.906 45.906 44.364 1.542 19213 8521 1 10 . 1 1 548 548 GLY H H 548 8.025 8.025 7.337 0.688 19213 8522 1 10 . 1 1 549 549 LEU N N 549 117.457 117.457 118.939 -1.482 19213 8523 1 10 . 1 1 549 549 LEU HA H 549 4.872 4.872 4.859 0.013 19213 8524 1 10 . 1 1 549 549 LEU C C 549 174.008 174.008 173.506 0.502 19213 8525 1 10 . 1 1 549 549 LEU CA C 549 52.697 52.697 54.805 -2.108 19213 8526 1 10 . 1 1 549 549 LEU CB C 549 44.641 44.641 46.593 -1.952 19213 8527 1 10 . 1 1 549 549 LEU H H 549 8.738 8.738 7.422 1.316 19213 8528 1 10 . 1 1 550 550 LEU N N 550 127.533 127.533 126.857 0.676 19213 8529 1 10 . 1 1 550 550 LEU HA H 550 4.920 4.920 4.636 0.284 19213 8530 1 10 . 1 1 550 550 LEU C C 550 175.162 175.162 174.489 0.673 19213 8531 1 10 . 1 1 550 550 LEU CA C 550 53.922 53.922 53.519 0.403 19213 8532 1 10 . 1 1 550 550 LEU CB C 550 42.857 42.857 44.041 -1.185 19213 8533 1 10 . 1 1 550 550 LEU H H 550 9.078 9.078 8.099 0.979 19213 8534 1 10 . 1 1 551 551 ILE N N 551 123.427 123.427 126.382 -2.955 19213 8535 1 10 . 1 1 551 551 ILE HA H 551 5.332 5.332 5.049 0.283 19213 8536 1 10 . 1 1 551 551 ILE C C 551 174.056 174.056 173.821 0.235 19213 8537 1 10 . 1 1 551 551 ILE CA C 551 59.702 59.702 59.013 0.689 19213 8538 1 10 . 1 1 551 551 ILE CB C 551 41.568 41.568 41.030 0.538 19213 8539 1 10 . 1 1 551 551 ILE H H 551 8.382 8.382 7.903 0.479 19213 8540 1 10 . 1 1 552 552 ALA N N 552 129.153 129.153 127.648 1.505 19213 8541 1 10 . 1 1 552 552 ALA HA H 552 5.130 5.130 4.303 0.827 19213 8542 1 10 . 1 1 552 552 ALA C C 552 176.892 176.892 174.410 2.482 19213 8543 1 10 . 1 1 552 552 ALA CA C 552 49.481 49.481 49.983 -0.503 19213 8544 1 10 . 1 1 552 552 ALA CB C 552 22.936 22.936 21.582 1.354 19213 8545 1 10 . 1 1 552 552 ALA H H 552 9.245 9.245 7.694 1.551 19213 8546 1 10 . 1 1 553 553 HIS N N 553 117.481 117.481 118.260 -0.779 19213 8547 1 10 . 1 1 553 553 HIS HA H 553 5.879 5.879 4.701 1.178 19213 8548 1 10 . 1 1 553 553 HIS C C 553 175.709 175.709 173.827 1.882 19213 8549 1 10 . 1 1 553 553 HIS CA C 553 52.575 52.575 55.291 -2.716 19213 8550 1 10 . 1 1 553 553 HIS CB C 553 36.391 36.391 33.409 2.982 19213 8551 1 10 . 1 1 553 553 HIS H H 553 9.584 9.584 8.448 1.136 19213 8552 1 10 . 1 1 554 554 GLN N N 554 125.534 125.534 120.973 4.561 19213 8553 1 10 . 1 1 554 554 GLN HA H 554 4.604 4.604 4.507 0.097 19213 8554 1 10 . 1 1 554 554 GLN C C 554 174.647 174.647 176.035 -1.388 19213 8555 1 10 . 1 1 554 554 GLN CA C 554 55.753 55.753 55.251 0.502 19213 8556 1 10 . 1 1 554 554 GLN CB C 554 30.350 30.350 28.791 1.559 19213 8557 1 10 . 1 1 554 554 GLN H H 554 9.240 9.240 8.809 0.431 19213 8558 1 10 . 1 1 555 555 ALA N N 555 135.281 135.281 129.226 6.055 19213 8559 1 10 . 1 1 555 555 ALA HA H 555 4.543 4.543 4.093 0.450 19213 8560 1 10 . 1 1 555 555 ALA C C 555 177.707 177.707 177.054 0.653 19213 8561 1 10 . 1 1 555 555 ALA CA C 555 53.062 53.062 53.347 -0.285 19213 8562 1 10 . 1 1 555 555 ALA CB C 555 19.238 19.238 17.957 1.281 19213 8563 1 10 . 1 1 555 555 ALA H H 555 11.446 11.446 8.511 2.935 19213 8564 1 10 . 1 1 556 556 SER N N 556 110.784 110.784 112.459 -1.675 19213 8565 1 10 . 1 1 556 556 SER HA H 556 4.190 4.190 4.436 -0.246 19213 8566 1 10 . 1 1 556 556 SER C C 556 174.538 174.538 173.641 0.897 19213 8567 1 10 . 1 1 556 556 SER CA C 556 60.691 60.691 59.760 0.931 19213 8568 1 10 . 1 1 556 556 SER CB C 556 63.729 63.729 64.279 -0.550 19213 8569 1 10 . 1 1 556 556 SER H H 556 8.106 8.106 7.761 0.345 19213 8570 1 10 . 1 1 557 557 GLU N N 557 118.812 118.812 119.717 -0.905 19213 8571 1 10 . 1 1 557 557 GLU CA C 557 53.779 53.779 53.516 0.263 19213 8572 1 10 . 1 1 557 557 GLU CB C 557 30.585 30.585 30.950 -0.365 19213 8573 1 10 . 1 1 557 557 GLU H H 557 7.380 7.380 8.043 -0.663 19213 8574 1 10 . 1 1 558 558 PRO HA H 558 4.290 4.290 4.599 -0.309 19213 8575 1 10 . 1 1 558 558 PRO C C 558 175.238 175.238 176.401 -1.163 19213 8576 1 10 . 1 1 558 558 PRO CA C 558 62.733 62.733 63.361 -0.627 19213 8577 1 10 . 1 1 558 558 PRO CB C 558 32.892 32.892 32.166 0.726 19213 8578 1 10 . 1 1 559 559 ARG N N 559 121.705 121.705 118.961 2.744 19213 8579 1 10 . 1 1 559 559 ARG HA H 559 3.949 3.949 4.419 -0.470 19213 8580 1 10 . 1 1 559 559 ARG C C 559 171.339 171.339 173.417 -2.078 19213 8581 1 10 . 1 1 559 559 ARG CA C 559 55.522 55.522 55.127 0.395 19213 8582 1 10 . 1 1 559 559 ARG CB C 559 33.266 33.266 33.066 0.200 19213 8583 1 10 . 1 1 559 559 ARG H H 559 8.106 8.106 8.387 -0.281 19213 8584 1 10 . 1 1 560 560 GLN N N 560 125.611 125.611 123.409 2.202 19213 8585 1 10 . 1 1 560 560 GLN HA H 560 4.386 4.386 3.819 0.567 19213 8586 1 10 . 1 1 560 560 GLN C C 560 175.691 175.691 174.886 0.805 19213 8587 1 10 . 1 1 560 560 GLN CA C 560 53.655 53.655 54.411 -0.756 19213 8588 1 10 . 1 1 560 560 GLN CB C 560 27.650 27.650 29.205 -1.555 19213 8589 1 10 . 1 1 560 560 GLN H H 560 8.295 8.295 8.410 -0.115 19213 8590 1 10 . 1 1 561 561 TRP N N 561 132.619 132.619 126.117 6.502 19213 8591 1 10 . 1 1 561 561 TRP HA H 561 4.449 4.449 4.836 -0.387 19213 8592 1 10 . 1 1 561 561 TRP C C 561 176.089 176.089 176.210 -0.121 19213 8593 1 10 . 1 1 561 561 TRP CA C 561 56.370 56.370 55.763 0.607 19213 8594 1 10 . 1 1 561 561 TRP CB C 561 28.641 28.641 29.440 -0.799 19213 8595 1 10 . 1 1 561 561 TRP H H 561 7.899 7.899 6.960 0.939 19213 8596 1 10 . 1 1 562 562 GLN N N 562 124.398 124.398 124.331 0.067 19213 8597 1 10 . 1 1 562 562 GLN HA H 562 4.465 4.465 4.212 0.253 19213 8598 1 10 . 1 1 562 562 GLN C C 562 177.060 177.060 177.083 -0.023 19213 8599 1 10 . 1 1 562 562 GLN CA C 562 54.712 54.712 55.625 -0.913 19213 8600 1 10 . 1 1 562 562 GLN CB C 562 30.536 30.536 29.472 1.064 19213 8601 1 10 . 1 1 562 562 GLN H H 562 9.714 9.714 8.586 1.128 19213 8602 1 10 . 1 1 563 563 GLU N N 563 124.299 124.299 121.836 2.463 19213 8603 1 10 . 1 1 563 563 GLU HA H 563 3.913 3.913 4.069 -0.156 19213 8604 1 10 . 1 1 563 563 GLU C C 563 178.669 178.669 178.863 -0.194 19213 8605 1 10 . 1 1 563 563 GLU CA C 563 61.261 61.261 59.739 1.522 19213 8606 1 10 . 1 1 563 563 GLU CB C 563 29.246 29.246 29.560 -0.314 19213 8607 1 10 . 1 1 563 563 GLU H H 563 9.197 9.197 8.936 0.261 19213 8608 1 10 . 1 1 564 564 ILE N N 564 115.325 115.325 118.605 -3.280 19213 8609 1 10 . 1 1 564 564 ILE HA H 564 4.217 4.217 3.754 0.463 19213 8610 1 10 . 1 1 564 564 ILE C C 564 177.495 177.495 177.989 -0.494 19213 8611 1 10 . 1 1 564 564 ILE CA C 564 63.396 63.396 64.513 -1.117 19213 8612 1 10 . 1 1 564 564 ILE CB C 564 37.815 37.815 37.440 0.375 19213 8613 1 10 . 1 1 564 564 ILE H H 564 8.482 8.482 8.170 0.312 19213 8614 1 10 . 1 1 565 565 GLU N N 565 121.151 121.151 119.401 1.750 19213 8615 1 10 . 1 1 565 565 GLU HA H 565 4.014 4.014 4.037 -0.023 19213 8616 1 10 . 1 1 565 565 GLU C C 565 178.136 178.136 179.427 -1.291 19213 8617 1 10 . 1 1 565 565 GLU CA C 565 58.734 58.734 59.332 -0.598 19213 8618 1 10 . 1 1 565 565 GLU CB C 565 29.617 29.617 28.993 0.624 19213 8619 1 10 . 1 1 565 565 GLU H H 565 6.700 6.700 7.635 -0.935 19213 8620 1 10 . 1 1 566 566 ILE N N 566 119.835 119.835 120.550 -0.715 19213 8621 1 10 . 1 1 566 566 ILE HA H 566 3.450 3.450 4.038 -0.588 19213 8622 1 10 . 1 1 566 566 ILE C C 566 178.664 178.664 178.282 0.382 19213 8623 1 10 . 1 1 566 566 ILE CA C 566 66.463 66.463 63.451 3.012 19213 8624 1 10 . 1 1 566 566 ILE CB C 566 38.360 38.360 36.528 1.832 19213 8625 1 10 . 1 1 566 566 ILE H H 566 8.122 8.122 7.629 0.493 19213 8626 1 10 . 1 1 567 567 ASP N N 567 120.402 120.402 120.527 -0.125 19213 8627 1 10 . 1 1 567 567 ASP HA H 567 4.372 4.372 4.260 0.112 19213 8628 1 10 . 1 1 567 567 ASP C C 567 179.395 179.395 178.716 0.679 19213 8629 1 10 . 1 1 567 567 ASP CA C 567 57.846 57.846 57.707 0.139 19213 8630 1 10 . 1 1 567 567 ASP CB C 567 40.610 40.610 40.610 -0.000 19213 8631 1 10 . 1 1 567 567 ASP H H 567 8.503 8.503 7.972 0.531 19213 8632 1 10 . 1 1 568 568 GLN N N 568 118.044 118.044 118.560 -0.516 19213 8633 1 10 . 1 1 568 568 GLN HA H 568 4.147 4.147 3.965 0.182 19213 8634 1 10 . 1 1 568 568 GLN C C 568 179.163 179.163 178.645 0.518 19213 8635 1 10 . 1 1 568 568 GLN CA C 568 59.243 59.243 58.748 0.495 19213 8636 1 10 . 1 1 568 568 GLN CB C 568 29.668 29.668 28.605 1.063 19213 8637 1 10 . 1 1 568 568 GLN H H 568 8.273 8.273 7.701 0.572 19213 8638 1 10 . 1 1 569 569 PHE N N 569 124.363 124.363 119.979 4.384 19213 8639 1 10 . 1 1 569 569 PHE HA H 569 4.303 4.303 4.078 0.225 19213 8640 1 10 . 1 1 569 569 PHE C C 569 177.052 177.052 177.923 -0.871 19213 8641 1 10 . 1 1 569 569 PHE CA C 569 61.230 61.230 62.002 -0.772 19213 8642 1 10 . 1 1 569 569 PHE CB C 569 40.614 40.614 38.483 2.131 19213 8643 1 10 . 1 1 569 569 PHE H H 569 8.962 8.962 8.125 0.837 19213 8644 1 10 . 1 1 570 570 SER N N 570 113.474 113.474 114.902 -1.428 19213 8645 1 10 . 1 1 570 570 SER HA H 570 4.353 4.353 4.113 0.240 19213 8646 1 10 . 1 1 570 570 SER C C 570 177.332 177.332 176.877 0.455 19213 8647 1 10 . 1 1 570 570 SER CA C 570 61.727 61.727 62.391 -0.664 19213 8648 1 10 . 1 1 570 570 SER CB C 570 62.752 62.752 63.015 -0.263 19213 8649 1 10 . 1 1 570 570 SER H H 570 8.880 8.880 8.458 0.422 19213 8650 1 10 . 1 1 571 571 GLU N N 571 122.935 122.935 121.810 1.125 19213 8651 1 10 . 1 1 571 571 GLU HA H 571 4.151 4.151 3.983 0.168 19213 8652 1 10 . 1 1 571 571 GLU C C 571 178.900 178.900 179.259 -0.359 19213 8653 1 10 . 1 1 571 571 GLU CA C 571 59.404 59.404 59.303 0.101 19213 8654 1 10 . 1 1 571 571 GLU CB C 571 29.340 29.340 29.714 -0.374 19213 8655 1 10 . 1 1 571 571 GLU H H 571 8.251 8.251 7.694 0.557 19213 8656 1 10 . 1 1 572 572 LEU N N 572 123.239 123.239 121.235 2.004 19213 8657 1 10 . 1 1 572 572 LEU HA H 572 4.040 4.040 4.046 -0.006 19213 8658 1 10 . 1 1 572 572 LEU C C 572 178.222 178.222 178.468 -0.246 19213 8659 1 10 . 1 1 572 572 LEU CA C 572 58.316 58.316 57.992 0.324 19213 8660 1 10 . 1 1 572 572 LEU CB C 572 41.446 41.446 41.697 -0.251 19213 8661 1 10 . 1 1 572 572 LEU H H 572 7.811 7.811 8.356 -0.545 19213 8662 1 10 . 1 1 573 573 ALA N N 573 120.107 120.107 120.330 -0.223 19213 8663 1 10 . 1 1 573 573 ALA HA H 573 3.704 3.704 4.118 -0.414 19213 8664 1 10 . 1 1 573 573 ALA C C 573 180.552 180.552 179.988 0.564 19213 8665 1 10 . 1 1 573 573 ALA CA C 573 55.596 55.596 55.296 0.300 19213 8666 1 10 . 1 1 573 573 ALA CB C 573 19.404 19.404 18.319 1.085 19213 8667 1 10 . 1 1 573 573 ALA H H 573 7.636 7.636 8.692 -1.056 19213 8668 1 10 . 1 1 574 574 SER N N 574 116.333 116.333 114.637 1.696 19213 8669 1 10 . 1 1 574 574 SER HA H 574 4.415 4.415 4.196 0.219 19213 8670 1 10 . 1 1 574 574 SER C C 574 177.418 177.418 176.682 0.736 19213 8671 1 10 . 1 1 574 574 SER CA C 574 61.750 61.750 62.265 -0.515 19213 8672 1 10 . 1 1 574 574 SER CB C 574 62.688 62.688 62.757 -0.069 19213 8673 1 10 . 1 1 574 574 SER H H 574 8.675 8.675 8.690 -0.015 19213 8674 1 10 . 1 1 575 575 THR N N 575 120.659 120.659 117.648 3.011 19213 8675 1 10 . 1 1 575 575 THR HA H 575 4.001 4.001 3.971 0.030 19213 8676 1 10 . 1 1 575 575 THR C C 575 177.033 177.033 176.501 0.532 19213 8677 1 10 . 1 1 575 575 THR CA C 575 66.835 66.835 66.694 0.142 19213 8678 1 10 . 1 1 575 575 THR CB C 575 68.384 68.384 68.502 -0.118 19213 8679 1 10 . 1 1 575 575 THR H H 575 8.870 8.870 8.007 0.863 19213 8680 1 10 . 1 1 576 576 GLY N N 576 108.168 108.168 109.140 -0.972 19213 8681 1 10 . 1 1 576 576 GLY C C 576 174.221 174.221 175.841 -1.620 19213 8682 1 10 . 1 1 576 576 GLY CA C 576 47.808 47.808 47.061 0.747 19213 8683 1 10 . 1 1 576 576 GLY H H 576 8.687 8.687 7.751 0.936 19213 8684 1 10 . 1 1 577 577 SER N N 577 118.111 118.111 117.188 0.923 19213 8685 1 10 . 1 1 577 577 SER HA H 577 3.889 3.889 3.868 0.021 19213 8686 1 10 . 1 1 577 577 SER C C 577 174.830 174.830 176.557 -1.727 19213 8687 1 10 . 1 1 577 577 SER CA C 577 63.606 63.606 61.338 2.268 19213 8688 1 10 . 1 1 577 577 SER CB C 577 62.564 62.564 62.652 -0.088 19213 8689 1 10 . 1 1 577 577 SER H H 577 8.314 8.314 7.608 0.706 19213 8690 1 10 . 1 1 578 578 LEU N N 578 122.532 122.532 120.484 2.048 19213 8691 1 10 . 1 1 578 578 LEU HA H 578 3.785 3.785 4.052 -0.267 19213 8692 1 10 . 1 1 578 578 LEU C C 578 179.351 179.351 179.220 0.131 19213 8693 1 10 . 1 1 578 578 LEU CA C 578 58.109 58.109 57.317 0.792 19213 8694 1 10 . 1 1 578 578 LEU CB C 578 41.837 41.837 41.264 0.573 19213 8695 1 10 . 1 1 578 578 LEU H H 578 7.841 7.841 7.517 0.324 19213 8696 1 10 . 1 1 579 579 VAL N N 579 122.455 122.455 118.580 3.875 19213 8697 1 10 . 1 1 579 579 VAL CA C 579 59.949 59.949 65.762 -5.813 19213 8698 1 10 . 1 1 579 579 VAL CB C 579 31.167 31.167 31.232 -0.065 19213 8699 1 10 . 1 1 579 579 VAL H H 579 8.789 8.789 7.155 1.634 19213 8700 1 10 . 1 1 582 582 ARG HA H 582 3.694 3.694 4.107 -0.413 19213 8701 1 10 . 1 1 582 582 ARG C C 582 170.822 170.822 177.988 -7.166 19213 8702 1 10 . 1 1 582 582 ARG CA C 582 58.211 58.211 59.219 -1.008 19213 8703 1 10 . 1 1 582 582 ARG CB C 582 30.031 30.031 30.189 -0.158 19213 8704 1 10 . 1 1 583 583 LEU N N 583 118.579 118.579 116.422 2.157 19213 8705 1 10 . 1 1 583 583 LEU CA C 583 58.995 58.995 57.164 1.831 19213 8706 1 10 . 1 1 583 583 LEU CB C 583 42.668 42.668 42.002 0.666 19213 8707 1 10 . 1 1 583 583 LEU H H 583 7.100 7.100 7.744 -0.644 19213 8708 1 10 . 1 1 585 585 PHE C C 585 176.850 176.850 173.824 3.026 19213 8709 1 10 . 1 1 585 585 PHE CA C 585 54.882 54.882 58.250 -3.368 19213 8710 1 10 . 1 1 585 585 PHE CB C 585 41.019 41.019 39.676 1.343 19213 8711 1 10 . 1 1 586 586 LEU N N 586 122.944 122.944 127.571 -4.627 19213 8712 1 10 . 1 1 586 586 LEU CA C 586 55.891 55.891 54.792 1.099 19213 8713 1 10 . 1 1 586 586 LEU CB C 586 42.021 42.021 42.831 -0.811 19213 8714 1 10 . 1 1 586 586 LEU H H 586 8.147 8.147 7.575 0.572 19213 8715 1 10 . 1 1 587 587 GLU HA H 587 4.213 4.213 3.852 0.361 19213 8716 1 10 . 1 1 587 587 GLU C C 587 176.917 176.917 176.449 0.468 19213 8717 1 10 . 1 1 587 587 GLU CA C 587 57.437 57.437 57.823 -0.386 19213 8718 1 10 . 1 1 587 587 GLU CB C 587 30.047 30.047 29.664 0.383 19213 8719 1 10 . 1 1 588 588 GLN N N 588 120.604 120.604 116.930 3.674 19213 8720 1 10 . 1 1 588 588 GLN CA C 588 57.300 57.300 56.282 1.018 19213 8721 1 10 . 1 1 588 588 GLN CB C 588 30.196 30.196 28.971 1.226 19213 8722 1 10 . 1 1 588 588 GLN H H 588 8.402 8.402 7.907 0.495 19213 8723 1 10 . 1 1 589 589 THR HA H 589 4.167 4.167 4.368 -0.201 19213 8724 1 10 . 1 1 589 589 THR C C 589 174.851 174.851 174.688 0.163 19213 8725 1 10 . 1 1 589 589 THR CA C 589 62.959 62.959 62.136 0.823 19213 8726 1 10 . 1 1 589 589 THR CB C 589 69.693 69.693 69.059 0.634 19213 8727 1 10 . 1 1 590 590 ILE N N 590 123.158 123.158 115.994 7.164 19213 8728 1 10 . 1 1 590 590 ILE CA C 590 61.524 61.524 59.534 1.990 19213 8729 1 10 . 1 1 590 590 ILE CB C 590 38.402 38.402 38.430 -0.028 19213 8730 1 10 . 1 1 590 590 ILE H H 590 8.028 8.028 7.364 0.664 19213 8731 1 10 . 1 1 591 591 ALA HA H 591 4.180 4.180 4.134 0.046 19213 8732 1 10 . 1 1 591 591 ALA C C 591 178.457 178.457 178.413 0.044 19213 8733 1 10 . 1 1 591 591 ALA CA C 591 53.569 53.569 54.181 -0.612 19213 8734 1 10 . 1 1 591 591 ALA CB C 591 18.733 18.733 18.453 0.280 19213 8735 1 10 . 1 1 592 592 SER N N 592 113.507 113.507 112.944 0.563 19213 8736 1 10 . 1 1 592 592 SER HA H 592 4.290 4.290 4.320 -0.030 19213 8737 1 10 . 1 1 592 592 SER C C 592 174.913 174.913 174.911 0.002 19213 8738 1 10 . 1 1 592 592 SER CA C 592 58.992 58.992 59.156 -0.164 19213 8739 1 10 . 1 1 592 592 SER CB C 592 63.550 63.550 63.197 0.353 19213 8740 1 10 . 1 1 592 592 SER H H 592 7.946 7.946 8.380 -0.434 19213 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 143 3.519 -0.116 3.529 19213 2 1 1 "Average Difference" HA 152 0.375 -0.025 0.375 19213 3 1 1 "Average Difference" C 141 1.308 0.064 1.311 19213 4 1 1 "Average Difference" CA 157 1.350 -0.028 1.354 19213 5 1 1 "Average Difference" CB 150 1.466 -0.401 1.414 19213 6 1 1 "Average Difference" HN 143 0.788 -0.219 0.759 19213 7 1 2 "Average Difference" N 143 3.607 -0.145 3.617 19213 8 1 2 "Average Difference" HA 152 0.370 -0.018 0.370 19213 9 1 2 "Average Difference" C 141 1.349 0.080 1.351 19213 10 1 2 "Average Difference" CA 157 1.315 -0.055 1.318 19213 11 1 2 "Average Difference" CB 150 1.487 -0.449 1.422 19213 12 1 2 "Average Difference" HN 143 0.775 -0.205 0.750 19213 13 1 3 "Average Difference" N 143 3.595 -0.116 3.605 19213 14 1 3 "Average Difference" HA 152 0.378 -0.030 0.378 19213 15 1 3 "Average Difference" C 141 1.411 0.097 1.413 19213 16 1 3 "Average Difference" CA 157 1.344 -0.087 1.345 19213 17 1 3 "Average Difference" CB 150 1.463 -0.424 1.405 19213 18 1 3 "Average Difference" HN 143 0.811 -0.214 0.785 19213 19 1 4 "Average Difference" N 143 3.658 -0.224 3.664 19213 20 1 4 "Average Difference" HA 152 0.380 -0.032 0.380 19213 21 1 4 "Average Difference" C 141 1.366 0.056 1.369 19213 22 1 4 "Average Difference" CA 157 1.371 -0.038 1.375 19213 23 1 4 "Average Difference" CB 150 1.479 -0.468 1.407 19213 24 1 4 "Average Difference" HN 143 0.831 -0.210 0.807 19213 25 1 5 "Average Difference" N 143 3.570 -0.073 3.581 19213 26 1 5 "Average Difference" HA 152 0.380 -0.013 0.381 19213 27 1 5 "Average Difference" C 141 1.367 0.080 1.370 19213 28 1 5 "Average Difference" CA 157 1.346 -0.068 1.349 19213 29 1 5 "Average Difference" CB 150 1.526 -0.386 1.481 19213 30 1 5 "Average Difference" HN 143 0.825 -0.203 0.802 19213 31 1 6 "Average Difference" N 143 3.570 -0.126 3.580 19213 32 1 6 "Average Difference" HA 152 0.376 -0.020 0.377 19213 33 1 6 "Average Difference" C 141 1.363 0.022 1.367 19213 34 1 6 "Average Difference" CA 157 1.352 -0.108 1.352 19213 35 1 6 "Average Difference" CB 150 1.489 -0.411 1.436 19213 36 1 6 "Average Difference" HN 143 0.816 -0.229 0.786 19213 37 1 7 "Average Difference" N 143 3.576 -0.210 3.583 19213 38 1 7 "Average Difference" HA 152 0.374 -0.038 0.374 19213 39 1 7 "Average Difference" C 141 1.291 0.087 1.292 19213 40 1 7 "Average Difference" CA 157 1.334 -0.034 1.338 19213 41 1 7 "Average Difference" CB 150 1.443 -0.498 1.359 19213 42 1 7 "Average Difference" HN 143 0.828 -0.249 0.792 19213 43 1 8 "Average Difference" N 143 3.591 -0.104 3.602 19213 44 1 8 "Average Difference" HA 152 0.379 -0.027 0.380 19213 45 1 8 "Average Difference" C 141 1.376 0.092 1.377 19213 46 1 8 "Average Difference" CA 157 1.355 -0.047 1.358 19213 47 1 8 "Average Difference" CB 150 1.475 -0.485 1.397 19213 48 1 8 "Average Difference" HN 143 0.836 -0.216 0.810 19213 49 1 9 "Average Difference" N 143 3.659 -0.071 3.672 19213 50 1 9 "Average Difference" HA 152 0.373 -0.021 0.374 19213 51 1 9 "Average Difference" C 141 1.391 0.061 1.394 19213 52 1 9 "Average Difference" CA 157 1.382 -0.059 1.385 19213 53 1 9 "Average Difference" CB 150 1.476 -0.416 1.421 19213 54 1 9 "Average Difference" HN 143 0.808 -0.219 0.781 19213 55 1 10 "Average Difference" N 143 3.708 -0.340 3.706 19213 56 1 10 "Average Difference" HA 152 0.378 -0.029 0.378 19213 57 1 10 "Average Difference" C 141 1.348 0.007 1.352 19213 58 1 10 "Average Difference" CA 157 1.387 -0.086 1.389 19213 59 1 10 "Average Difference" CB 150 1.461 -0.410 1.407 19213 60 1 10 "Average Difference" HN 143 0.828 -0.249 0.793 19213 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 19213 _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 1 430 430 ALA N N 430 132.375 132.375 123.387 8.988 19213 2 1 . 1 1 430 430 ALA CA C 430 51.092 51.092 52.172 -1.081 19213 3 1 . 1 1 430 430 ALA CB C 430 21.474 21.474 19.506 1.968 19213 4 1 . 1 1 430 430 ALA H H 430 8.772 8.772 8.530 0.242 19213 5 1 . 1 1 431 431 ALA N N 431 117.710 117.710 123.581 -5.871 19213 6 1 . 1 1 431 431 ALA HA H 431 4.346 4.346 4.309 0.036 19213 7 1 . 1 1 431 431 ALA C C 431 177.537 177.537 177.352 0.185 19213 8 1 . 1 1 431 431 ALA CA C 431 52.341 52.341 52.547 -0.206 19213 9 1 . 1 1 431 431 ALA CB C 431 19.209 19.209 19.046 0.163 19213 10 1 . 1 1 431 431 ALA H H 431 8.180 8.180 8.184 -0.004 19213 11 1 . 1 1 432 432 VAL N N 432 120.378 120.378 120.072 0.306 19213 12 1 . 1 1 432 432 VAL HA H 432 4.045 4.045 4.092 -0.047 19213 13 1 . 1 1 432 432 VAL C C 432 175.692 175.692 175.450 0.242 19213 14 1 . 1 1 432 432 VAL CA C 432 62.172 62.172 62.462 -0.290 19213 15 1 . 1 1 432 432 VAL CB C 432 33.029 33.029 32.329 0.700 19213 16 1 . 1 1 432 432 VAL H H 432 8.191 8.191 7.955 0.236 19213 17 1 . 1 1 433 433 GLN N N 433 124.398 124.398 124.661 -0.263 19213 18 1 . 1 1 433 433 GLN CA C 433 54.855 54.855 54.983 -0.128 19213 19 1 . 1 1 433 433 GLN CB C 433 29.530 29.530 30.211 -0.681 19213 20 1 . 1 1 433 433 GLN H H 433 8.525 8.525 8.382 0.143 19213 21 1 . 1 1 435 435 SER HA H 435 4.074 4.074 4.179 -0.105 19213 22 1 . 1 1 435 435 SER C C 435 178.865 178.865 175.569 3.296 19213 23 1 . 1 1 435 435 SER CA C 435 60.402 60.402 60.391 0.011 19213 24 1 . 1 1 435 435 SER CB C 435 62.858 62.858 62.707 0.151 19213 25 1 . 1 1 436 436 GLU N N 436 119.935 119.935 120.436 -0.501 19213 26 1 . 1 1 436 436 GLU HA H 436 4.309 4.309 4.222 0.087 19213 27 1 . 1 1 436 436 GLU C C 436 176.654 176.654 176.285 0.369 19213 28 1 . 1 1 436 436 GLU CA C 436 56.095 56.095 56.825 -0.729 19213 29 1 . 1 1 436 436 GLU CB C 436 30.278 30.278 29.731 0.547 19213 30 1 . 1 1 436 436 GLU H H 436 7.847 7.847 7.621 0.226 19213 31 1 . 1 1 437 437 LEU N N 437 120.616 120.616 120.681 -0.065 19213 32 1 . 1 1 437 437 LEU CA C 437 55.492 55.492 54.825 0.667 19213 33 1 . 1 1 437 437 LEU CB C 437 43.512 43.512 42.504 1.008 19213 34 1 . 1 1 437 437 LEU H H 437 7.349 7.349 7.571 -0.222 19213 35 1 . 1 1 440 440 ARG HA H 440 3.274 3.274 3.875 -0.601 19213 36 1 . 1 1 440 440 ARG C C 440 175.983 175.983 177.962 -1.979 19213 37 1 . 1 1 440 440 ARG CA C 440 60.018 60.018 58.810 1.208 19213 38 1 . 1 1 440 440 ARG CB C 440 30.268 30.268 30.031 0.237 19213 39 1 . 1 1 441 441 GLN N N 441 117.801 117.801 118.800 -0.999 19213 40 1 . 1 1 441 441 GLN HA H 441 3.804 3.804 4.468 -0.664 19213 41 1 . 1 1 441 441 GLN C C 441 178.030 178.030 177.686 0.344 19213 42 1 . 1 1 441 441 GLN CA C 441 58.764 58.764 58.613 0.151 19213 43 1 . 1 1 441 441 GLN CB C 441 27.434 27.434 28.351 -0.917 19213 44 1 . 1 1 441 441 GLN H H 441 8.079 8.079 8.605 -0.526 19213 45 1 . 1 1 442 442 ALA N N 442 120.194 120.194 122.590 -2.396 19213 46 1 . 1 1 442 442 ALA HA H 442 4.123 4.123 4.124 -0.001 19213 47 1 . 1 1 442 442 ALA C C 442 181.577 181.577 179.449 2.128 19213 48 1 . 1 1 442 442 ALA CA C 442 54.940 54.940 55.017 -0.077 19213 49 1 . 1 1 442 442 ALA CB C 442 18.705 18.705 18.197 0.508 19213 50 1 . 1 1 442 442 ALA H H 442 7.914 7.914 7.586 0.328 19213 51 1 . 1 1 443 443 ILE N N 443 120.712 120.712 115.751 4.961 19213 52 1 . 1 1 443 443 ILE HA H 443 3.445 3.445 3.574 -0.129 19213 53 1 . 1 1 443 443 ILE C C 443 177.663 177.663 177.762 -0.099 19213 54 1 . 1 1 443 443 ILE CA C 443 65.907 65.907 64.220 1.687 19213 55 1 . 1 1 443 443 ILE CB C 443 37.169 37.169 36.886 0.283 19213 56 1 . 1 1 443 443 ILE H H 443 7.663 7.663 7.260 0.403 19213 57 1 . 1 1 444 444 PHE N N 444 119.033 119.033 119.070 -0.037 19213 58 1 . 1 1 444 444 PHE HA H 444 4.311 4.311 4.172 0.139 19213 59 1 . 1 1 444 444 PHE C C 444 178.273 178.273 177.947 0.326 19213 60 1 . 1 1 444 444 PHE CA C 444 58.956 58.956 61.575 -2.619 19213 61 1 . 1 1 444 444 PHE CB C 444 38.154 38.154 37.986 0.168 19213 62 1 . 1 1 444 444 PHE H H 444 8.077 8.077 7.419 0.658 19213 63 1 . 1 1 445 445 GLU N N 445 115.469 115.469 119.736 -4.267 19213 64 1 . 1 1 445 445 GLU HA H 445 4.399 4.399 4.027 0.372 19213 65 1 . 1 1 445 445 GLU C C 445 179.822 179.822 179.140 0.682 19213 66 1 . 1 1 445 445 GLU CA C 445 58.472 58.472 59.749 -1.277 19213 67 1 . 1 1 445 445 GLU CB C 445 28.797 28.797 29.091 -0.294 19213 68 1 . 1 1 445 445 GLU H H 445 8.746 8.746 8.297 0.449 19213 69 1 . 1 1 446 446 THR N N 446 117.987 117.987 115.852 2.135 19213 70 1 . 1 1 446 446 THR HA H 446 4.067 4.067 4.030 0.037 19213 71 1 . 1 1 446 446 THR C C 446 175.802 175.802 176.671 -0.869 19213 72 1 . 1 1 446 446 THR CA C 446 66.959 66.959 66.668 0.291 19213 73 1 . 1 1 446 446 THR CB C 446 68.289 68.289 68.458 -0.169 19213 74 1 . 1 1 446 446 THR H H 446 8.139 8.139 7.695 0.444 19213 75 1 . 1 1 447 447 LEU N N 447 122.061 122.061 121.537 0.524 19213 76 1 . 1 1 447 447 LEU HA H 447 3.874 3.874 4.119 -0.245 19213 77 1 . 1 1 447 447 LEU C C 447 179.377 179.377 178.874 0.503 19213 78 1 . 1 1 447 447 LEU CA C 447 58.858 58.858 57.795 1.063 19213 79 1 . 1 1 447 447 LEU CB C 447 42.709 42.709 41.438 1.272 19213 80 1 . 1 1 447 447 LEU H H 447 8.608 8.608 7.552 1.056 19213 81 1 . 1 1 448 448 VAL N N 448 108.293 108.293 118.717 -10.424 19213 82 1 . 1 1 448 448 VAL HA H 448 3.973 3.973 3.693 0.280 19213 83 1 . 1 1 448 448 VAL C C 448 177.414 177.414 177.922 -0.508 19213 84 1 . 1 1 448 448 VAL CA C 448 64.624 64.624 66.191 -1.567 19213 85 1 . 1 1 448 448 VAL CB C 448 29.895 29.895 30.997 -1.102 19213 86 1 . 1 1 448 448 VAL H H 448 7.783 7.783 8.182 -0.399 19213 87 1 . 1 1 449 449 ALA N N 449 124.901 124.901 122.725 2.176 19213 88 1 . 1 1 449 449 ALA HA H 449 4.291 4.291 4.028 0.263 19213 89 1 . 1 1 449 449 ALA C C 449 181.177 181.177 179.452 1.725 19213 90 1 . 1 1 449 449 ALA CA C 449 55.144 55.144 55.519 -0.375 19213 91 1 . 1 1 449 449 ALA CB C 449 18.558 18.558 18.357 0.201 19213 92 1 . 1 1 449 449 ALA H H 449 7.477 7.477 8.783 -1.306 19213 93 1 . 1 1 450 450 LYS N N 450 118.438 118.438 118.803 -0.365 19213 94 1 . 1 1 450 450 LYS HA H 450 4.194 4.194 4.128 0.066 19213 95 1 . 1 1 450 450 LYS C C 450 180.027 180.027 179.443 0.584 19213 96 1 . 1 1 450 450 LYS CA C 450 58.274 58.274 59.014 -0.740 19213 97 1 . 1 1 450 450 LYS CB C 450 31.673 31.673 32.390 -0.717 19213 98 1 . 1 1 450 450 LYS H H 450 8.835 8.835 8.022 0.813 19213 99 1 . 1 1 451 451 GLY N N 451 108.035 108.035 107.635 0.400 19213 100 1 . 1 1 451 451 GLY C C 451 173.706 173.706 176.155 -2.449 19213 101 1 . 1 1 451 451 GLY CA C 451 47.992 47.992 47.279 0.713 19213 102 1 . 1 1 451 451 GLY H H 451 8.765 8.765 8.579 0.186 19213 103 1 . 1 1 452 452 ARG N N 452 122.460 122.460 120.193 2.267 19213 104 1 . 1 1 452 452 ARG HA H 452 4.080 4.080 4.221 -0.141 19213 105 1 . 1 1 452 452 ARG C C 452 178.863 178.863 178.031 0.832 19213 106 1 . 1 1 452 452 ARG CA C 452 60.572 60.572 58.915 1.657 19213 107 1 . 1 1 452 452 ARG CB C 452 30.407 30.407 29.905 0.502 19213 108 1 . 1 1 452 452 ARG H H 452 8.272 8.272 7.998 0.274 19213 109 1 . 1 1 453 453 GLU N N 453 119.784 119.784 119.919 -0.135 19213 110 1 . 1 1 453 453 GLU HA H 453 4.096 4.096 4.160 -0.064 19213 111 1 . 1 1 453 453 GLU C C 453 178.778 178.778 178.512 0.266 19213 112 1 . 1 1 453 453 GLU CA C 453 59.023 59.023 58.655 0.368 19213 113 1 . 1 1 453 453 GLU CB C 453 30.241 30.241 29.822 0.419 19213 114 1 . 1 1 453 453 GLU H H 453 7.894 7.894 7.729 0.165 19213 115 1 . 1 1 454 454 LEU N N 454 119.313 119.313 118.526 0.787 19213 116 1 . 1 1 454 454 LEU HA H 454 4.171 4.171 4.063 0.108 19213 117 1 . 1 1 454 454 LEU C C 454 178.457 178.457 178.872 -0.415 19213 118 1 . 1 1 454 454 LEU CA C 454 57.869 57.869 57.414 0.455 19213 119 1 . 1 1 454 454 LEU CB C 454 42.922 42.922 42.294 0.628 19213 120 1 . 1 1 454 454 LEU H H 454 8.328 8.328 8.376 -0.048 19213 121 1 . 1 1 455 455 LEU N N 455 113.192 113.192 115.192 -2.000 19213 122 1 . 1 1 455 455 LEU HA H 455 4.380 4.380 4.317 0.063 19213 123 1 . 1 1 455 455 LEU C C 455 176.795 176.795 176.398 0.397 19213 124 1 . 1 1 455 455 LEU CA C 455 54.643 54.643 54.415 0.228 19213 125 1 . 1 1 455 455 LEU CB C 455 43.897 43.897 42.266 1.631 19213 126 1 . 1 1 455 455 LEU H H 455 7.424 7.424 7.395 0.029 19213 127 1 . 1 1 456 456 ALA N N 456 124.175 124.175 119.604 4.571 19213 128 1 . 1 1 456 456 ALA HA H 456 4.244 4.244 4.155 0.088 19213 129 1 . 1 1 456 456 ALA C C 456 177.051 177.051 176.841 0.210 19213 130 1 . 1 1 456 456 ALA CA C 456 52.975 52.975 52.469 0.506 19213 131 1 . 1 1 456 456 ALA CB C 456 16.514 16.514 16.277 0.237 19213 132 1 . 1 1 456 456 ALA H H 456 8.573 8.573 7.341 1.232 19213 133 1 . 1 1 457 457 CYS N N 457 111.282 111.282 118.526 -7.244 19213 134 1 . 1 1 457 457 CYS HA H 457 5.592 5.592 4.554 1.038 19213 135 1 . 1 1 457 457 CYS C C 457 172.935 172.935 175.145 -2.210 19213 136 1 . 1 1 457 457 CYS CA C 457 54.876 54.876 58.832 -3.956 19213 137 1 . 1 1 457 457 CYS CB C 457 29.887 29.887 29.855 0.032 19213 138 1 . 1 1 457 457 CYS H H 457 7.000 7.000 7.918 -0.918 19213 139 1 . 1 1 458 458 ASP N N 458 117.373 117.373 121.742 -4.369 19213 140 1 . 1 1 458 458 ASP HA H 458 4.834 4.834 4.632 0.202 19213 141 1 . 1 1 458 458 ASP C C 458 175.463 175.463 175.670 -0.207 19213 142 1 . 1 1 458 458 ASP CA C 458 57.972 57.972 56.505 1.467 19213 143 1 . 1 1 458 458 ASP CB C 458 42.753 42.753 41.441 1.312 19213 144 1 . 1 1 458 458 ASP H H 458 7.265 7.265 8.481 -1.216 19213 145 1 . 1 1 459 459 ARG N N 459 117.328 117.328 118.202 -0.874 19213 146 1 . 1 1 459 459 ARG HA H 459 5.511 5.511 4.958 0.553 19213 147 1 . 1 1 459 459 ARG C C 459 174.652 174.652 173.684 0.969 19213 148 1 . 1 1 459 459 ARG CA C 459 55.593 55.593 55.061 0.532 19213 149 1 . 1 1 459 459 ARG CB C 459 35.294 35.294 33.646 1.648 19213 150 1 . 1 1 459 459 ARG H H 459 8.099 8.099 7.514 0.585 19213 151 1 . 1 1 460 460 VAL N N 460 127.029 127.029 121.088 5.941 19213 152 1 . 1 1 460 460 VAL HA H 460 5.182 5.182 4.476 0.706 19213 153 1 . 1 1 460 460 VAL C C 460 174.538 174.538 172.843 1.696 19213 154 1 . 1 1 460 460 VAL CA C 460 61.684 61.684 60.827 0.857 19213 155 1 . 1 1 460 460 VAL CB C 460 35.157 35.157 34.903 0.254 19213 156 1 . 1 1 460 460 VAL H H 460 9.215 9.215 8.429 0.786 19213 157 1 . 1 1 461 461 ILE N N 461 118.191 118.191 125.573 -7.382 19213 158 1 . 1 1 461 461 ILE HA H 461 5.269 5.269 4.439 0.831 19213 159 1 . 1 1 461 461 ILE C C 461 174.436 174.436 173.998 0.438 19213 160 1 . 1 1 461 461 ILE CA C 461 58.897 58.897 59.935 -1.038 19213 161 1 . 1 1 461 461 ILE CB C 461 41.973 41.973 40.931 1.042 19213 162 1 . 1 1 461 461 ILE H H 461 9.051 9.051 8.325 0.726 19213 163 1 . 1 1 462 462 VAL N N 462 119.036 119.036 124.872 -5.836 19213 164 1 . 1 1 462 462 VAL HA H 462 4.218 4.218 4.421 -0.203 19213 165 1 . 1 1 462 462 VAL C C 462 173.040 173.040 174.113 -1.073 19213 166 1 . 1 1 462 462 VAL CA C 462 62.382 62.382 60.663 1.719 19213 167 1 . 1 1 462 462 VAL CB C 462 33.016 33.016 33.978 -0.962 19213 168 1 . 1 1 462 462 VAL H H 462 7.266 7.266 8.035 -0.769 19213 169 1 . 1 1 463 463 TYR N N 463 131.813 131.813 122.923 8.890 19213 170 1 . 1 1 463 463 TYR HA H 463 4.634 4.634 5.102 -0.468 19213 171 1 . 1 1 463 463 TYR C C 463 172.062 172.062 172.904 -0.842 19213 172 1 . 1 1 463 463 TYR CA C 463 54.971 54.971 54.944 0.027 19213 173 1 . 1 1 463 463 TYR CB C 463 40.572 40.572 41.182 -0.610 19213 174 1 . 1 1 463 463 TYR H H 463 8.796 8.796 7.390 1.406 19213 175 1 . 1 1 464 464 ALA N N 464 127.309 127.309 122.684 4.625 19213 176 1 . 1 1 464 464 ALA HA H 464 3.810 3.810 4.116 -0.306 19213 177 1 . 1 1 464 464 ALA C C 464 176.605 176.605 175.779 0.826 19213 178 1 . 1 1 464 464 ALA CA C 464 50.931 50.931 50.287 0.644 19213 179 1 . 1 1 464 464 ALA CB C 464 21.945 21.945 20.085 1.860 19213 180 1 . 1 1 464 464 ALA H H 464 8.423 8.423 8.165 0.258 19213 181 1 . 1 1 465 465 PHE N N 465 119.567 119.567 120.754 -1.187 19213 182 1 . 1 1 465 465 PHE HA H 465 4.635 4.635 4.463 0.172 19213 183 1 . 1 1 465 465 PHE C C 465 176.576 176.576 175.561 1.015 19213 184 1 . 1 1 465 465 PHE CA C 465 57.430 57.430 59.770 -2.340 19213 185 1 . 1 1 465 465 PHE CB C 465 41.434 41.434 40.210 1.224 19213 186 1 . 1 1 465 465 PHE H H 465 7.687 7.687 8.725 -1.038 19213 187 1 . 1 1 466 466 ASP N N 466 120.914 120.914 122.743 -1.829 19213 188 1 . 1 1 466 466 ASP HA H 466 4.699 4.699 4.845 -0.146 19213 189 1 . 1 1 466 466 ASP C C 466 178.481 178.481 176.958 1.523 19213 190 1 . 1 1 466 466 ASP CA C 466 51.837 51.837 52.951 -1.114 19213 191 1 . 1 1 466 466 ASP CB C 466 40.950 40.950 42.808 -1.858 19213 192 1 . 1 1 466 466 ASP H H 466 7.829 7.829 8.110 -0.281 19213 193 1 . 1 1 467 467 ASP N N 467 115.889 115.889 118.868 -2.979 19213 194 1 . 1 1 467 467 ASP HA H 467 4.018 4.018 4.593 -0.575 19213 195 1 . 1 1 467 467 ASP C C 467 176.022 176.022 176.022 0.000 19213 196 1 . 1 1 467 467 ASP CA C 467 56.052 56.052 55.941 0.111 19213 197 1 . 1 1 467 467 ASP CB C 467 40.144 40.144 40.697 -0.553 19213 198 1 . 1 1 467 467 ASP H H 467 8.138 8.138 8.738 -0.600 19213 199 1 . 1 1 468 468 ASN N N 468 116.903 116.903 117.560 -0.657 19213 200 1 . 1 1 468 468 ASN HA H 468 4.954 4.954 4.855 0.099 19213 201 1 . 1 1 468 468 ASN C C 468 174.155 174.155 174.821 -0.666 19213 202 1 . 1 1 468 468 ASN CA C 468 52.052 52.052 52.389 -0.337 19213 203 1 . 1 1 468 468 ASN CB C 468 39.733 39.733 37.970 1.763 19213 204 1 . 1 1 468 468 ASN H H 468 8.076 8.076 8.243 -0.167 19213 205 1 . 1 1 469 469 TYR N N 469 112.788 112.788 114.348 -1.560 19213 206 1 . 1 1 469 469 TYR HA H 469 3.249 3.249 4.156 -0.907 19213 207 1 . 1 1 469 469 TYR C C 469 175.377 175.377 174.396 0.981 19213 208 1 . 1 1 469 469 TYR CA C 469 61.891 61.891 59.176 2.715 19213 209 1 . 1 1 469 469 TYR CB C 469 34.352 34.352 36.148 -1.796 19213 210 1 . 1 1 469 469 TYR H H 469 7.785 7.785 7.598 0.187 19213 211 1 . 1 1 470 470 VAL N N 470 122.718 122.718 118.271 4.447 19213 212 1 . 1 1 470 470 VAL HA H 470 4.010 4.010 4.263 -0.253 19213 213 1 . 1 1 470 470 VAL CA C 470 63.699 63.699 61.377 2.322 19213 214 1 . 1 1 470 470 VAL CB C 470 30.721 30.721 33.421 -2.700 19213 215 1 . 1 1 470 470 VAL H H 470 8.666 8.666 7.506 1.160 19213 216 1 . 1 1 471 471 GLY C C 471 170.959 170.959 173.038 -2.079 19213 217 1 . 1 1 471 471 GLY CA C 471 43.674 43.674 43.858 -0.184 19213 218 1 . 1 1 472 472 THR N N 472 118.003 118.003 115.578 2.425 19213 219 1 . 1 1 472 472 THR HA H 472 4.931 4.931 4.482 0.449 19213 220 1 . 1 1 472 472 THR C C 472 174.282 174.282 173.849 0.433 19213 221 1 . 1 1 472 472 THR CA C 472 61.142 61.142 61.906 -0.764 19213 222 1 . 1 1 472 472 THR CB C 472 70.941 70.941 70.905 0.036 19213 223 1 . 1 1 472 472 THR H H 472 8.150 8.150 7.988 0.162 19213 224 1 . 1 1 473 473 VAL N N 473 126.802 126.802 129.724 -2.922 19213 225 1 . 1 1 473 473 VAL HA H 473 4.552 4.552 4.120 0.432 19213 226 1 . 1 1 473 473 VAL C C 473 175.472 175.472 175.944 -0.472 19213 227 1 . 1 1 473 473 VAL CA C 473 62.066 62.066 63.090 -1.024 19213 228 1 . 1 1 473 473 VAL CB C 473 29.572 29.572 30.075 -0.503 19213 229 1 . 1 1 473 473 VAL H H 473 8.740 8.740 9.149 -0.409 19213 230 1 . 1 1 474 474 VAL N N 474 122.729 122.729 125.479 -2.750 19213 231 1 . 1 1 474 474 VAL HA H 474 4.394 4.394 4.081 0.313 19213 232 1 . 1 1 474 474 VAL C C 474 175.653 175.653 174.451 1.202 19213 233 1 . 1 1 474 474 VAL CA C 474 62.168 62.168 61.934 0.233 19213 234 1 . 1 1 474 474 VAL CB C 474 32.041 32.041 32.236 -0.195 19213 235 1 . 1 1 474 474 VAL H H 474 7.753 7.753 7.954 -0.201 19213 236 1 . 1 1 475 475 ALA N N 475 117.768 117.768 119.950 -2.182 19213 237 1 . 1 1 475 475 ALA HA H 475 4.493 4.493 4.641 -0.148 19213 238 1 . 1 1 475 475 ALA C C 475 174.317 174.317 174.461 -0.144 19213 239 1 . 1 1 475 475 ALA CA C 475 52.144 52.144 51.848 0.296 19213 240 1 . 1 1 475 475 ALA CB C 475 23.434 23.434 21.291 2.143 19213 241 1 . 1 1 475 475 ALA H H 475 7.366 7.366 7.095 0.271 19213 242 1 . 1 1 476 476 GLU N N 476 122.294 122.294 122.320 -0.026 19213 243 1 . 1 1 476 476 GLU HA H 476 5.143 5.143 4.648 0.495 19213 244 1 . 1 1 476 476 GLU C C 476 173.452 173.452 174.537 -1.085 19213 245 1 . 1 1 476 476 GLU CA C 476 55.216 55.216 55.763 -0.547 19213 246 1 . 1 1 476 476 GLU CB C 476 36.288 36.288 33.358 2.930 19213 247 1 . 1 1 476 476 GLU H H 476 8.455 8.455 8.545 -0.090 19213 248 1 . 1 1 477 477 SER N N 477 121.014 121.014 120.139 0.875 19213 249 1 . 1 1 477 477 SER HA H 477 4.910 4.910 4.978 -0.068 19213 250 1 . 1 1 477 477 SER C C 477 173.417 173.417 172.391 1.026 19213 251 1 . 1 1 477 477 SER CA C 477 56.576 56.576 57.511 -0.935 19213 252 1 . 1 1 477 477 SER CB C 477 63.836 63.836 65.332 -1.496 19213 253 1 . 1 1 477 477 SER H H 477 8.867 8.867 8.456 0.411 19213 254 1 . 1 1 478 478 VAL N N 478 128.791 128.791 121.253 7.538 19213 255 1 . 1 1 478 478 VAL HA H 478 5.361 5.361 4.728 0.633 19213 256 1 . 1 1 478 478 VAL C C 478 172.729 172.729 175.079 -2.350 19213 257 1 . 1 1 478 478 VAL CA C 478 58.657 58.657 59.709 -1.052 19213 258 1 . 1 1 478 478 VAL CB C 478 35.971 35.971 35.483 0.488 19213 259 1 . 1 1 478 478 VAL H H 478 9.143 9.143 8.349 0.794 19213 260 1 . 1 1 479 479 ALA N N 479 129.671 129.671 128.492 1.179 19213 261 1 . 1 1 479 479 ALA HA H 479 4.373 4.373 4.418 -0.045 19213 262 1 . 1 1 479 479 ALA C C 479 176.732 176.732 177.344 -0.612 19213 263 1 . 1 1 479 479 ALA CA C 479 52.231 52.231 52.421 -0.190 19213 264 1 . 1 1 479 479 ALA CB C 479 20.053 20.053 19.828 0.224 19213 265 1 . 1 1 479 479 ALA H H 479 8.632 8.632 8.462 0.170 19213 266 1 . 1 1 480 480 GLU N N 480 120.434 120.434 119.971 0.463 19213 267 1 . 1 1 480 480 GLU HA H 480 4.028 4.028 4.065 -0.037 19213 268 1 . 1 1 480 480 GLU C C 480 177.151 177.151 176.918 0.233 19213 269 1 . 1 1 480 480 GLU CA C 480 58.179 58.179 57.581 0.598 19213 270 1 . 1 1 480 480 GLU CB C 480 29.797 29.797 29.343 0.454 19213 271 1 . 1 1 480 480 GLU H H 480 8.558 8.558 8.570 -0.012 19213 272 1 . 1 1 481 481 GLY N N 481 110.914 110.914 111.422 -0.508 19213 273 1 . 1 1 481 481 GLY C C 481 174.073 174.073 173.792 0.281 19213 274 1 . 1 1 481 481 GLY CA C 481 44.681 44.681 44.168 0.513 19213 275 1 . 1 1 481 481 GLY H H 481 8.539 8.539 8.523 0.016 19213 276 1 . 1 1 482 482 TRP N N 482 119.508 119.508 122.012 -2.504 19213 277 1 . 1 1 482 482 TRP HA H 482 5.290 5.290 5.019 0.271 19213 278 1 . 1 1 482 482 TRP CA C 482 53.659 53.659 54.167 -0.508 19213 279 1 . 1 1 482 482 TRP CB C 482 29.487 29.487 29.645 -0.158 19213 280 1 . 1 1 482 482 TRP H H 482 7.009 7.009 7.194 -0.185 19213 281 1 . 1 1 483 483 PRO HA H 483 4.426 4.426 4.547 -0.121 19213 282 1 . 1 1 483 483 PRO C C 483 175.722 175.722 175.693 0.029 19213 283 1 . 1 1 483 483 PRO CA C 483 63.259 63.259 62.694 0.565 19213 284 1 . 1 1 483 483 PRO CB C 483 33.238 33.238 32.462 0.776 19213 285 1 . 1 1 484 484 GLN N N 484 121.488 121.488 122.462 -0.974 19213 286 1 . 1 1 484 484 GLN HA H 484 4.936 4.936 4.385 0.551 19213 287 1 . 1 1 484 484 GLN C C 484 176.405 176.405 175.277 1.128 19213 288 1 . 1 1 484 484 GLN CA C 484 55.688 55.688 55.591 0.097 19213 289 1 . 1 1 484 484 GLN CB C 484 29.565 29.565 30.481 -0.916 19213 290 1 . 1 1 484 484 GLN H H 484 8.646 8.646 8.518 0.128 19213 291 1 . 1 1 485 485 ALA N N 485 133.617 133.617 125.935 7.682 19213 292 1 . 1 1 485 485 ALA HA H 485 4.340 4.340 4.589 -0.249 19213 293 1 . 1 1 485 485 ALA C C 485 176.317 176.317 176.666 -0.349 19213 294 1 . 1 1 485 485 ALA CA C 485 51.289 51.289 52.045 -0.756 19213 295 1 . 1 1 485 485 ALA CB C 485 20.581 20.581 20.016 0.565 19213 296 1 . 1 1 485 485 ALA H H 485 11.964 11.964 8.643 3.321 19213 297 1 . 1 1 486 486 ARG N N 486 119.720 119.720 118.963 0.757 19213 298 1 . 1 1 486 486 ARG HA H 486 3.300 3.300 3.987 -0.687 19213 299 1 . 1 1 486 486 ARG C C 486 175.502 175.502 175.311 0.190 19213 300 1 . 1 1 486 486 ARG CA C 486 59.200 59.200 56.648 2.552 19213 301 1 . 1 1 486 486 ARG CB C 486 30.648 30.648 28.875 1.773 19213 302 1 . 1 1 486 486 ARG H H 486 8.235 8.235 8.296 -0.061 19213 303 1 . 1 1 487 487 ASP N N 487 119.936 119.936 117.717 2.219 19213 304 1 . 1 1 487 487 ASP HA H 487 4.141 4.141 4.251 -0.110 19213 305 1 . 1 1 487 487 ASP C C 487 175.557 175.557 174.582 0.974 19213 306 1 . 1 1 487 487 ASP CA C 487 57.148 57.148 55.432 1.716 19213 307 1 . 1 1 487 487 ASP CB C 487 39.031 39.031 40.135 -1.104 19213 308 1 . 1 1 487 487 ASP H H 487 9.023 9.023 8.847 0.176 19213 309 1 . 1 1 488 488 GLN N N 488 119.954 119.954 117.750 2.204 19213 310 1 . 1 1 488 488 GLN HA H 488 4.147 4.147 4.557 -0.410 19213 311 1 . 1 1 488 488 GLN C C 488 174.993 174.993 174.567 0.426 19213 312 1 . 1 1 488 488 GLN CA C 488 57.475 57.475 54.758 2.717 19213 313 1 . 1 1 488 488 GLN CB C 488 28.866 28.866 31.438 -2.572 19213 314 1 . 1 1 488 488 GLN H H 488 8.200 8.200 7.761 0.439 19213 315 1 . 1 1 489 489 VAL N N 489 124.202 124.202 120.879 3.323 19213 316 1 . 1 1 489 489 VAL HA H 489 4.593 4.593 4.346 0.247 19213 317 1 . 1 1 489 489 VAL C C 489 177.060 177.060 174.816 2.244 19213 318 1 . 1 1 489 489 VAL CA C 489 61.871 61.871 60.538 1.333 19213 319 1 . 1 1 489 489 VAL CB C 489 32.575 32.575 32.973 -0.398 19213 320 1 . 1 1 489 489 VAL H H 489 8.379 8.379 8.418 -0.039 19213 321 1 . 1 1 490 490 ILE N N 490 128.772 128.772 127.662 1.110 19213 322 1 . 1 1 490 490 ILE HA H 490 4.433 4.433 4.169 0.264 19213 323 1 . 1 1 490 490 ILE C C 490 174.634 174.634 174.607 0.027 19213 324 1 . 1 1 490 490 ILE CA C 490 60.464 60.464 60.294 0.170 19213 325 1 . 1 1 490 490 ILE CB C 490 41.025 41.025 38.035 2.990 19213 326 1 . 1 1 490 490 ILE H H 490 8.952 8.952 8.286 0.666 19213 327 1 . 1 1 491 491 GLU N N 491 130.867 130.867 128.046 2.821 19213 328 1 . 1 1 491 491 GLU HA H 491 4.598 4.598 4.482 0.116 19213 329 1 . 1 1 491 491 GLU C C 491 174.015 174.015 174.705 -0.690 19213 330 1 . 1 1 491 491 GLU CA C 491 55.930 55.930 55.421 0.509 19213 331 1 . 1 1 491 491 GLU CB C 491 28.942 28.942 30.653 -1.711 19213 332 1 . 1 1 491 491 GLU H H 491 9.289 9.289 8.685 0.604 19213 333 1 . 1 1 492 492 ASP N N 492 130.401 130.401 124.321 6.080 19213 334 1 . 1 1 492 492 ASP HA H 492 5.210 5.210 5.000 0.210 19213 335 1 . 1 1 492 492 ASP CA C 492 50.160 50.160 51.427 -1.267 19213 336 1 . 1 1 492 492 ASP CB C 492 43.965 43.965 42.297 1.668 19213 337 1 . 1 1 492 492 ASP H H 492 9.437 9.437 8.304 1.133 19213 338 1 . 1 1 493 493 PRO HA H 493 4.359 4.359 4.383 -0.024 19213 339 1 . 1 1 493 493 PRO C C 493 176.079 176.079 175.806 0.273 19213 340 1 . 1 1 493 493 PRO CA C 493 63.617 63.617 62.878 0.739 19213 341 1 . 1 1 493 493 PRO CB C 493 33.300 33.300 29.979 3.321 19213 342 1 . 1 1 494 494 CYS N N 494 117.251 117.251 118.017 -0.766 19213 343 1 . 1 1 494 494 CYS HA H 494 4.147 4.147 4.535 -0.388 19213 344 1 . 1 1 494 494 CYS C C 494 176.789 176.789 176.350 0.439 19213 345 1 . 1 1 494 494 CYS CA C 494 58.195 58.195 59.794 -1.600 19213 346 1 . 1 1 494 494 CYS CB C 494 33.343 33.343 28.865 4.478 19213 347 1 . 1 1 494 494 CYS H H 494 8.806 8.806 8.061 0.745 19213 348 1 . 1 1 495 495 PHE N N 495 118.785 118.785 120.950 -2.165 19213 349 1 . 1 1 495 495 PHE HA H 495 4.328 4.328 4.597 -0.269 19213 350 1 . 1 1 495 495 PHE C C 495 176.529 176.529 177.733 -1.204 19213 351 1 . 1 1 495 495 PHE CA C 495 63.265 63.265 59.920 3.345 19213 352 1 . 1 1 495 495 PHE CB C 495 37.239 37.239 37.823 -0.584 19213 353 1 . 1 1 495 495 PHE H H 495 6.799 6.799 8.214 -1.415 19213 354 1 . 1 1 496 496 ARG N N 496 118.755 118.755 118.906 -0.151 19213 355 1 . 1 1 496 496 ARG HA H 496 3.692 3.692 3.382 0.310 19213 356 1 . 1 1 496 496 ARG C C 496 178.119 178.119 176.396 1.723 19213 357 1 . 1 1 496 496 ARG CA C 496 58.495 58.495 58.025 0.470 19213 358 1 . 1 1 496 496 ARG CB C 496 29.942 29.942 28.466 1.476 19213 359 1 . 1 1 496 496 ARG H H 496 9.000 9.000 6.052 2.948 19213 360 1 . 1 1 497 497 GLU N N 497 115.895 115.895 118.347 -2.452 19213 361 1 . 1 1 497 497 GLU HA H 497 3.858 3.858 4.080 -0.222 19213 362 1 . 1 1 497 497 GLU C C 497 177.981 177.981 177.227 0.754 19213 363 1 . 1 1 497 497 GLU CA C 497 58.920 58.920 57.800 1.120 19213 364 1 . 1 1 497 497 GLU CB C 497 29.841 29.841 29.803 0.038 19213 365 1 . 1 1 497 497 GLU H H 497 7.849 7.849 7.839 0.010 19213 366 1 . 1 1 498 498 HIS N N 498 111.119 111.119 116.271 -5.152 19213 367 1 . 1 1 498 498 HIS HA H 498 4.710 4.710 4.647 0.063 19213 368 1 . 1 1 498 498 HIS CA C 498 55.904 55.904 57.740 -1.836 19213 369 1 . 1 1 498 498 HIS CB C 498 30.890 30.890 30.468 0.422 19213 370 1 . 1 1 498 498 HIS H H 498 7.717 7.717 7.215 0.502 19213 371 1 . 1 1 499 499 TRP HA H 499 5.476 5.476 4.655 0.821 19213 372 1 . 1 1 499 499 TRP C C 499 176.398 176.398 177.607 -1.209 19213 373 1 . 1 1 499 499 TRP CA C 499 58.111 58.111 60.500 -2.389 19213 374 1 . 1 1 499 499 TRP CB C 499 34.294 34.294 28.908 5.385 19213 375 1 . 1 1 500 500 VAL N N 500 121.907 121.907 122.021 -0.114 19213 376 1 . 1 1 500 500 VAL HA H 500 3.421 3.421 3.389 0.032 19213 377 1 . 1 1 500 500 VAL C C 500 177.163 177.163 177.118 0.045 19213 378 1 . 1 1 500 500 VAL CA C 500 68.043 68.043 66.783 1.260 19213 379 1 . 1 1 500 500 VAL CB C 500 31.127 31.127 31.757 -0.630 19213 380 1 . 1 1 500 500 VAL H H 500 8.071 8.071 7.628 0.443 19213 381 1 . 1 1 501 501 GLU N N 501 117.634 117.634 119.640 -2.006 19213 382 1 . 1 1 501 501 GLU HA H 501 4.130 4.130 3.911 0.219 19213 383 1 . 1 1 501 501 GLU C C 501 178.314 178.314 178.551 -0.237 19213 384 1 . 1 1 501 501 GLU CA C 501 58.781 58.781 59.372 -0.591 19213 385 1 . 1 1 501 501 GLU CB C 501 28.631 28.631 28.854 -0.223 19213 386 1 . 1 1 501 501 GLU H H 501 8.188 8.188 8.442 -0.254 19213 387 1 . 1 1 502 502 ALA N N 502 120.830 120.830 121.899 -1.069 19213 388 1 . 1 1 502 502 ALA HA H 502 4.106 4.106 4.068 0.038 19213 389 1 . 1 1 502 502 ALA C C 502 181.963 181.963 180.275 1.688 19213 390 1 . 1 1 502 502 ALA CA C 502 54.953 54.953 54.780 0.173 19213 391 1 . 1 1 502 502 ALA CB C 502 18.558 18.558 18.153 0.405 19213 392 1 . 1 1 502 502 ALA H H 502 7.996 7.996 7.995 0.001 19213 393 1 . 1 1 503 503 TYR N N 503 118.238 118.238 119.184 -0.946 19213 394 1 . 1 1 503 503 TYR HA H 503 4.362 4.362 4.404 -0.042 19213 395 1 . 1 1 503 503 TYR C C 503 178.723 178.723 179.073 -0.350 19213 396 1 . 1 1 503 503 TYR CA C 503 64.148 64.148 60.181 3.967 19213 397 1 . 1 1 503 503 TYR CB C 503 39.126 39.126 38.009 1.117 19213 398 1 . 1 1 503 503 TYR H H 503 8.665 8.665 8.466 0.199 19213 399 1 . 1 1 504 504 ARG N N 504 121.723 121.723 117.714 4.009 19213 400 1 . 1 1 504 504 ARG HA H 504 3.905 3.905 4.073 -0.168 19213 401 1 . 1 1 504 504 ARG C C 504 177.714 177.714 177.760 -0.046 19213 402 1 . 1 1 504 504 ARG CA C 504 59.679 59.679 58.667 1.012 19213 403 1 . 1 1 504 504 ARG CB C 504 30.495 30.495 29.409 1.086 19213 404 1 . 1 1 504 504 ARG H H 504 8.824 8.824 7.980 0.844 19213 405 1 . 1 1 505 505 GLN N N 505 113.473 113.473 115.289 -1.816 19213 406 1 . 1 1 505 505 GLN HA H 505 4.332 4.332 4.368 -0.036 19213 407 1 . 1 1 505 505 GLN C C 505 176.403 176.403 176.818 -0.415 19213 408 1 . 1 1 505 505 GLN CA C 505 55.387 55.387 55.277 0.110 19213 409 1 . 1 1 505 505 GLN CB C 505 28.792 28.792 29.000 -0.208 19213 410 1 . 1 1 505 505 GLN H H 505 7.613 7.613 7.579 0.034 19213 411 1 . 1 1 506 506 GLY N N 506 106.968 106.968 107.682 -0.714 19213 412 1 . 1 1 506 506 GLY C C 506 174.133 174.133 174.214 -0.081 19213 413 1 . 1 1 506 506 GLY CA C 506 45.874 45.874 44.963 0.911 19213 414 1 . 1 1 506 506 GLY H H 506 7.867 7.867 8.305 -0.438 19213 415 1 . 1 1 507 507 ARG N N 507 123.761 123.761 119.961 3.800 19213 416 1 . 1 1 507 507 ARG HA H 507 3.717 3.717 4.489 -0.772 19213 417 1 . 1 1 507 507 ARG C C 507 171.000 171.000 175.738 -4.738 19213 418 1 . 1 1 507 507 ARG CA C 507 58.285 58.285 55.564 2.721 19213 419 1 . 1 1 507 507 ARG CB C 507 29.901 29.901 31.550 -1.649 19213 420 1 . 1 1 507 507 ARG H H 507 7.858 7.858 7.738 0.120 19213 421 1 . 1 1 508 508 ILE N N 508 119.641 119.641 116.400 3.241 19213 422 1 . 1 1 508 508 ILE HA H 508 4.859 4.859 4.533 0.326 19213 423 1 . 1 1 508 508 ILE C C 508 176.521 176.521 174.560 1.961 19213 424 1 . 1 1 508 508 ILE CA C 508 59.199 59.199 59.016 0.183 19213 425 1 . 1 1 508 508 ILE CB C 508 42.573 42.573 41.995 0.578 19213 426 1 . 1 1 508 508 ILE H H 508 7.180 7.180 8.049 -0.869 19213 427 1 . 1 1 509 509 GLN N N 509 125.871 125.871 123.527 2.344 19213 428 1 . 1 1 509 509 GLN HA H 509 4.918 4.918 4.579 0.339 19213 429 1 . 1 1 509 509 GLN C C 509 173.750 173.750 173.674 0.076 19213 430 1 . 1 1 509 509 GLN CA C 509 54.255 54.255 54.714 -0.459 19213 431 1 . 1 1 509 509 GLN CB C 509 32.267 32.267 32.214 0.053 19213 432 1 . 1 1 509 509 GLN H H 509 8.536 8.536 8.312 0.224 19213 433 1 . 1 1 510 510 ALA N N 510 133.952 133.952 130.304 3.648 19213 434 1 . 1 1 510 510 ALA HA H 510 4.946 4.946 5.847 -0.901 19213 435 1 . 1 1 510 510 ALA C C 510 175.742 175.742 176.846 -1.104 19213 436 1 . 1 1 510 510 ALA CA C 510 51.009 51.009 50.814 0.195 19213 437 1 . 1 1 510 510 ALA CB C 510 21.245 21.245 21.207 0.038 19213 438 1 . 1 1 510 510 ALA H H 510 8.865 8.865 8.543 0.322 19213 439 1 . 1 1 511 511 THR N N 511 121.442 121.442 121.797 -0.355 19213 440 1 . 1 1 511 511 THR HA H 511 4.652 4.652 4.760 -0.108 19213 441 1 . 1 1 511 511 THR C C 511 174.487 174.487 174.637 -0.150 19213 442 1 . 1 1 511 511 THR CA C 511 62.152 62.152 61.547 0.605 19213 443 1 . 1 1 511 511 THR CB C 511 69.678 69.678 70.679 -1.000 19213 444 1 . 1 1 511 511 THR H H 511 9.368 9.368 9.035 0.333 19213 445 1 . 1 1 512 512 THR N N 512 126.491 126.491 118.952 7.539 19213 446 1 . 1 1 512 512 THR HA H 512 4.706 4.706 3.999 0.707 19213 447 1 . 1 1 512 512 THR C C 512 173.054 173.054 174.414 -1.360 19213 448 1 . 1 1 512 512 THR CA C 512 63.609 63.609 65.882 -2.273 19213 449 1 . 1 1 512 512 THR CB C 512 69.408 69.408 69.125 0.283 19213 450 1 . 1 1 512 512 THR H H 512 8.829 8.829 8.318 0.511 19213 451 1 . 1 1 513 513 ASP N N 513 113.706 113.706 119.643 -5.937 19213 452 1 . 1 1 513 513 ASP HA H 513 5.022 5.022 4.970 0.052 19213 453 1 . 1 1 513 513 ASP C C 513 179.097 179.097 176.937 2.160 19213 454 1 . 1 1 513 513 ASP CA C 513 52.164 52.164 52.085 0.079 19213 455 1 . 1 1 513 513 ASP CB C 513 42.331 42.331 40.782 1.549 19213 456 1 . 1 1 513 513 ASP H H 513 7.272 7.272 7.971 -0.699 19213 457 1 . 1 1 514 514 ILE N N 514 123.327 123.327 121.630 1.697 19213 458 1 . 1 1 514 514 ILE HA H 514 3.636 3.636 3.985 -0.349 19213 459 1 . 1 1 514 514 ILE C C 514 175.769 175.769 176.139 -0.370 19213 460 1 . 1 1 514 514 ILE CA C 514 63.545 63.545 63.749 -0.204 19213 461 1 . 1 1 514 514 ILE CB C 514 38.180 38.180 37.401 0.779 19213 462 1 . 1 1 514 514 ILE H H 514 8.916 8.916 8.418 0.498 19213 463 1 . 1 1 515 515 PHE N N 515 117.344 117.344 118.965 -1.621 19213 464 1 . 1 1 515 515 PHE HA H 515 4.517 4.517 4.445 0.072 19213 465 1 . 1 1 515 515 PHE C C 515 176.514 176.514 176.573 -0.059 19213 466 1 . 1 1 515 515 PHE CA C 515 58.401 58.401 59.873 -1.472 19213 467 1 . 1 1 515 515 PHE CB C 515 37.600 37.600 38.726 -1.126 19213 468 1 . 1 1 515 515 PHE H H 515 8.154 8.154 8.057 0.097 19213 469 1 . 1 1 516 516 LYS N N 516 120.351 120.351 117.003 3.348 19213 470 1 . 1 1 516 516 LYS HA H 516 4.715 4.715 4.418 0.297 19213 471 1 . 1 1 516 516 LYS C C 516 175.486 175.486 175.961 -0.475 19213 472 1 . 1 1 516 516 LYS CA C 516 54.831 54.831 56.260 -1.429 19213 473 1 . 1 1 516 516 LYS CB C 516 33.581 33.581 34.072 -0.491 19213 474 1 . 1 1 516 516 LYS H H 516 7.634 7.634 8.309 -0.675 19213 475 1 . 1 1 517 517 ALA N N 517 122.264 122.264 122.373 -0.110 19213 476 1 . 1 1 517 517 ALA HA H 517 4.561 4.561 4.530 0.031 19213 477 1 . 1 1 517 517 ALA C C 517 176.799 176.799 176.583 0.216 19213 478 1 . 1 1 517 517 ALA CA C 517 51.980 51.980 51.985 -0.005 19213 479 1 . 1 1 517 517 ALA CB C 517 20.779 20.779 19.818 0.961 19213 480 1 . 1 1 517 517 ALA H H 517 7.552 7.552 7.224 0.329 19213 481 1 . 1 1 518 518 GLY N N 518 110.102 110.102 112.239 -2.137 19213 482 1 . 1 1 518 518 GLY C C 518 175.260 175.260 175.082 0.178 19213 483 1 . 1 1 518 518 GLY CA C 518 46.252 46.252 44.640 1.612 19213 484 1 . 1 1 518 518 GLY H H 518 8.499 8.499 8.521 -0.022 19213 485 1 . 1 1 519 519 LEU N N 519 120.980 120.980 120.550 0.430 19213 486 1 . 1 1 519 519 LEU HA H 519 4.285 4.285 4.152 0.133 19213 487 1 . 1 1 519 519 LEU C C 519 176.687 176.687 177.118 -0.431 19213 488 1 . 1 1 519 519 LEU CA C 519 54.291 54.291 54.956 -0.665 19213 489 1 . 1 1 519 519 LEU CB C 519 42.942 42.942 39.560 3.382 19213 490 1 . 1 1 519 519 LEU H H 519 8.418 8.418 8.412 0.006 19213 491 1 . 1 1 520 520 THR N N 520 107.429 107.429 114.897 -7.468 19213 492 1 . 1 1 520 520 THR HA H 520 4.420 4.420 4.288 0.132 19213 493 1 . 1 1 520 520 THR CA C 520 60.231 60.231 61.927 -1.696 19213 494 1 . 1 1 520 520 THR CB C 520 71.205 71.205 70.224 0.981 19213 495 1 . 1 1 520 520 THR H H 520 6.149 6.149 7.931 -1.782 19213 496 1 . 1 1 521 521 GLU N N 521 118.700 118.700 119.770 -1.070 19213 497 1 . 1 1 521 521 GLU HA H 521 4.173 4.173 4.359 -0.186 19213 498 1 . 1 1 521 521 GLU C C 521 176.567 176.567 178.236 -1.669 19213 499 1 . 1 1 521 521 GLU CA C 521 57.220 57.220 57.574 -0.354 19213 500 1 . 1 1 521 521 GLU CB C 521 30.353 30.353 29.765 0.588 19213 501 1 . 1 1 521 521 GLU H H 521 7.290 7.290 8.632 -1.342 19213 502 1 . 1 1 522 522 CYS N N 522 121.185 121.185 118.025 3.160 19213 503 1 . 1 1 522 522 CYS HA H 522 4.139 4.139 4.406 -0.267 19213 504 1 . 1 1 522 522 CYS C C 522 177.769 177.769 177.155 0.614 19213 505 1 . 1 1 522 522 CYS CA C 522 61.379 61.379 61.153 0.226 19213 506 1 . 1 1 522 522 CYS CB C 522 32.851 32.851 26.310 6.541 19213 507 1 . 1 1 522 522 CYS H H 522 8.218 8.218 8.488 -0.270 19213 508 1 . 1 1 523 523 HIS N N 523 117.000 117.000 121.013 -4.013 19213 509 1 . 1 1 523 523 HIS HA H 523 3.796 3.796 4.207 -0.411 19213 510 1 . 1 1 523 523 HIS C C 523 177.832 177.832 177.162 0.670 19213 511 1 . 1 1 523 523 HIS CA C 523 59.058 59.058 59.816 -0.758 19213 512 1 . 1 1 523 523 HIS CB C 523 28.841 28.841 29.424 -0.583 19213 513 1 . 1 1 523 523 HIS H H 523 7.333 7.333 8.166 -0.833 19213 514 1 . 1 1 524 524 LEU N N 524 117.403 117.403 118.032 -0.629 19213 515 1 . 1 1 524 524 LEU HA H 524 3.792 3.792 3.609 0.183 19213 516 1 . 1 1 524 524 LEU C C 524 180.184 180.184 178.711 1.473 19213 517 1 . 1 1 524 524 LEU CA C 524 58.223 58.223 58.026 0.197 19213 518 1 . 1 1 524 524 LEU CB C 524 41.482 41.482 41.272 0.210 19213 519 1 . 1 1 524 524 LEU H H 524 8.582 8.582 8.238 0.344 19213 520 1 . 1 1 525 525 ASN N N 525 118.149 118.149 115.237 2.912 19213 521 1 . 1 1 525 525 ASN HA H 525 4.534 4.534 4.516 0.018 19213 522 1 . 1 1 525 525 ASN C C 525 177.023 177.023 176.655 0.368 19213 523 1 . 1 1 525 525 ASN CA C 525 55.784 55.784 55.256 0.528 19213 524 1 . 1 1 525 525 ASN CB C 525 38.017 38.017 38.028 -0.011 19213 525 1 . 1 1 525 525 ASN H H 525 9.226 9.226 7.866 1.360 19213 526 1 . 1 1 526 526 GLN N N 526 115.619 115.619 118.943 -3.324 19213 527 1 . 1 1 526 526 GLN HA H 526 4.358 4.358 4.217 0.141 19213 528 1 . 1 1 526 526 GLN C C 526 175.801 175.801 176.975 -1.174 19213 529 1 . 1 1 526 526 GLN CA C 526 57.008 57.008 58.079 -1.071 19213 530 1 . 1 1 526 526 GLN CB C 526 28.586 28.586 29.382 -0.796 19213 531 1 . 1 1 526 526 GLN H H 526 7.290 7.290 7.823 -0.533 19213 532 1 . 1 1 527 527 LEU N N 527 115.651 115.651 118.883 -3.232 19213 533 1 . 1 1 527 527 LEU HA H 527 4.130 4.130 4.247 -0.118 19213 534 1 . 1 1 527 527 LEU C C 527 178.587 178.587 178.246 0.341 19213 535 1 . 1 1 527 527 LEU CA C 527 55.568 55.568 55.823 -0.255 19213 536 1 . 1 1 527 527 LEU CB C 527 42.148 42.148 41.941 0.207 19213 537 1 . 1 1 527 527 LEU H H 527 6.944 6.944 7.861 -0.917 19213 538 1 . 1 1 528 528 ARG N N 528 121.110 121.110 120.691 0.419 19213 539 1 . 1 1 528 528 ARG HA H 528 4.310 4.310 4.005 0.305 19213 540 1 . 1 1 528 528 ARG CA C 528 61.278 61.278 61.705 -0.428 19213 541 1 . 1 1 528 528 ARG CB C 528 28.800 28.800 28.012 0.788 19213 542 1 . 1 1 528 528 ARG H H 528 8.246 8.246 8.059 0.188 19213 543 1 . 1 1 529 529 PRO HA H 529 4.432 4.432 4.281 0.151 19213 544 1 . 1 1 529 529 PRO C C 529 177.119 177.119 177.270 -0.151 19213 545 1 . 1 1 529 529 PRO CA C 529 65.500 65.500 65.108 0.392 19213 546 1 . 1 1 529 529 PRO CB C 529 31.079 31.079 31.233 -0.154 19213 547 1 . 1 1 530 530 LEU N N 530 113.140 113.140 116.195 -3.055 19213 548 1 . 1 1 530 530 LEU HA H 530 4.186 4.186 4.412 -0.226 19213 549 1 . 1 1 530 530 LEU C C 530 176.839 176.839 176.925 -0.086 19213 550 1 . 1 1 530 530 LEU CA C 530 54.360 54.360 54.594 -0.234 19213 551 1 . 1 1 530 530 LEU CB C 530 42.962 42.962 42.112 0.850 19213 552 1 . 1 1 530 530 LEU H H 530 6.908 6.908 7.483 -0.575 19213 553 1 . 1 1 531 531 LYS N N 531 114.250 114.250 116.642 -2.392 19213 554 1 . 1 1 531 531 LYS HA H 531 3.881 3.881 3.928 -0.048 19213 555 1 . 1 1 531 531 LYS C C 531 173.063 173.063 175.397 -2.334 19213 556 1 . 1 1 531 531 LYS CA C 531 57.573 57.573 56.877 0.696 19213 557 1 . 1 1 531 531 LYS CB C 531 28.802 28.802 30.565 -1.763 19213 558 1 . 1 1 531 531 LYS H H 531 8.120 8.120 7.740 0.380 19213 559 1 . 1 1 532 532 VAL N N 532 115.759 115.759 118.730 -2.971 19213 560 1 . 1 1 532 532 VAL HA H 532 3.000 3.000 3.793 -0.794 19213 561 1 . 1 1 532 532 VAL C C 532 174.337 174.337 176.072 -1.735 19213 562 1 . 1 1 532 532 VAL CA C 532 64.525 64.525 63.761 0.764 19213 563 1 . 1 1 532 532 VAL CB C 532 32.785 32.785 31.222 1.563 19213 564 1 . 1 1 532 532 VAL H H 532 6.477 6.477 7.368 -0.891 19213 565 1 . 1 1 533 533 ARG N N 533 123.594 123.594 128.607 -5.013 19213 566 1 . 1 1 533 533 ARG HA H 533 4.457 4.457 4.673 -0.216 19213 567 1 . 1 1 533 533 ARG C C 533 173.662 173.662 174.532 -0.870 19213 568 1 . 1 1 533 533 ARG CA C 533 53.844 53.844 55.122 -1.277 19213 569 1 . 1 1 533 533 ARG CB C 533 31.242 31.242 30.419 0.823 19213 570 1 . 1 1 533 533 ARG H H 533 8.917 8.917 8.206 0.711 19213 571 1 . 1 1 534 534 ALA N N 534 123.107 123.107 122.654 0.453 19213 572 1 . 1 1 534 534 ALA HA H 534 4.663 4.663 5.133 -0.470 19213 573 1 . 1 1 534 534 ALA C C 534 176.608 176.608 174.988 1.620 19213 574 1 . 1 1 534 534 ALA CA C 534 51.456 51.456 51.907 -0.451 19213 575 1 . 1 1 534 534 ALA CB C 534 25.134 25.134 20.972 4.162 19213 576 1 . 1 1 534 534 ALA H H 534 8.338 8.338 7.826 0.512 19213 577 1 . 1 1 535 535 ASN N N 535 117.841 117.841 117.229 0.612 19213 578 1 . 1 1 535 535 ASN HA H 535 6.000 6.000 4.924 1.076 19213 579 1 . 1 1 535 535 ASN C C 535 170.841 170.841 173.106 -2.265 19213 580 1 . 1 1 535 535 ASN CA C 535 52.258 52.258 53.741 -1.483 19213 581 1 . 1 1 535 535 ASN CB C 535 42.060 42.060 40.621 1.439 19213 582 1 . 1 1 535 535 ASN H H 535 9.052 9.052 8.686 0.366 19213 583 1 . 1 1 536 536 LEU N N 536 123.199 123.199 127.774 -4.575 19213 584 1 . 1 1 536 536 LEU HA H 536 4.667 4.667 4.733 -0.066 19213 585 1 . 1 1 536 536 LEU C C 536 173.345 173.345 173.580 -0.235 19213 586 1 . 1 1 536 536 LEU CA C 536 54.258 54.258 53.275 0.983 19213 587 1 . 1 1 536 536 LEU CB C 536 43.282 43.282 44.917 -1.635 19213 588 1 . 1 1 536 536 LEU H H 536 8.163 8.163 7.580 0.583 19213 589 1 . 1 1 537 537 VAL N N 537 128.390 128.390 123.508 4.882 19213 590 1 . 1 1 537 537 VAL HA H 537 4.428 4.428 4.563 -0.135 19213 591 1 . 1 1 537 537 VAL C C 537 174.411 174.411 173.643 0.768 19213 592 1 . 1 1 537 537 VAL CA C 537 62.112 62.112 59.717 2.395 19213 593 1 . 1 1 537 537 VAL CB C 537 34.747 34.747 33.317 1.430 19213 594 1 . 1 1 537 537 VAL H H 537 8.881 8.881 7.809 1.072 19213 595 1 . 1 1 538 538 VAL N N 538 118.758 118.758 125.540 -6.782 19213 596 1 . 1 1 538 538 VAL HA H 538 5.360 5.360 4.478 0.882 19213 597 1 . 1 1 538 538 VAL CA C 538 56.783 56.783 58.242 -1.459 19213 598 1 . 1 1 538 538 VAL CB C 538 33.069 33.069 34.222 -1.153 19213 599 1 . 1 1 538 538 VAL H H 538 8.456 8.456 8.343 0.113 19213 600 1 . 1 1 539 539 PRO HA H 539 4.832 4.832 4.641 0.191 19213 601 1 . 1 1 539 539 PRO C C 539 175.835 175.835 175.810 0.025 19213 602 1 . 1 1 539 539 PRO CA C 539 62.909 62.909 63.064 -0.155 19213 603 1 . 1 1 539 539 PRO CB C 539 34.483 34.483 32.082 2.401 19213 604 1 . 1 1 540 540 MET N N 540 116.774 116.774 124.162 -7.389 19213 605 1 . 1 1 540 540 MET HA H 540 4.372 4.372 4.888 -0.516 19213 606 1 . 1 1 540 540 MET C C 540 173.982 173.982 174.803 -0.821 19213 607 1 . 1 1 540 540 MET CA C 540 55.763 55.763 53.591 2.172 19213 608 1 . 1 1 540 540 MET CB C 540 35.394 35.394 34.202 1.192 19213 609 1 . 1 1 540 540 MET H H 540 8.212 8.212 8.235 -0.023 19213 610 1 . 1 1 541 541 VAL N N 541 127.382 127.382 123.950 3.432 19213 611 1 . 1 1 541 541 VAL HA H 541 4.851 4.851 4.948 -0.097 19213 612 1 . 1 1 541 541 VAL C C 541 174.789 174.789 175.113 -0.324 19213 613 1 . 1 1 541 541 VAL CA C 541 61.847 61.847 60.926 0.921 19213 614 1 . 1 1 541 541 VAL CB C 541 33.092 33.092 33.267 -0.176 19213 615 1 . 1 1 541 541 VAL H H 541 8.342 8.342 8.698 -0.356 19213 616 1 . 1 1 542 542 ILE N N 542 126.100 126.100 127.543 -1.443 19213 617 1 . 1 1 542 542 ILE HA H 542 4.225 4.225 4.348 -0.123 19213 618 1 . 1 1 542 542 ILE C C 542 176.127 176.127 175.789 0.338 19213 619 1 . 1 1 542 542 ILE CA C 542 60.535 60.535 59.789 0.746 19213 620 1 . 1 1 542 542 ILE CB C 542 41.569 41.569 40.853 0.716 19213 621 1 . 1 1 542 542 ILE H H 542 8.687 8.687 9.181 -0.494 19213 622 1 . 1 1 543 543 ASP N N 543 132.060 132.060 127.537 4.524 19213 623 1 . 1 1 543 543 ASP HA H 543 4.203 4.203 4.283 -0.080 19213 624 1 . 1 1 543 543 ASP C C 543 175.231 175.231 175.289 -0.058 19213 625 1 . 1 1 543 543 ASP CA C 543 55.725 55.725 55.667 0.057 19213 626 1 . 1 1 543 543 ASP CB C 543 39.705 39.705 39.596 0.109 19213 627 1 . 1 1 543 543 ASP H H 543 10.386 10.386 9.131 1.255 19213 628 1 . 1 1 544 544 ASP N N 544 111.355 111.355 111.999 -0.644 19213 629 1 . 1 1 544 544 ASP HA H 544 4.109 4.109 4.241 -0.132 19213 630 1 . 1 1 544 544 ASP C C 544 174.479 174.479 174.502 -0.023 19213 631 1 . 1 1 544 544 ASP CA C 544 55.744 55.744 55.600 0.144 19213 632 1 . 1 1 544 544 ASP CB C 544 41.048 41.048 39.898 1.150 19213 633 1 . 1 1 544 544 ASP H H 544 8.812 8.812 8.718 0.094 19213 634 1 . 1 1 545 545 GLN N N 545 117.226 117.226 116.833 0.393 19213 635 1 . 1 1 545 545 GLN HA H 545 4.582 4.582 4.619 -0.037 19213 636 1 . 1 1 545 545 GLN C C 545 174.762 174.762 174.528 0.234 19213 637 1 . 1 1 545 545 GLN CA C 545 53.703 53.703 54.138 -0.435 19213 638 1 . 1 1 545 545 GLN CB C 545 31.687 31.687 32.283 -0.596 19213 639 1 . 1 1 545 545 GLN H H 545 7.884 7.884 8.357 -0.473 19213 640 1 . 1 1 546 546 LEU N N 546 123.783 123.783 127.924 -4.141 19213 641 1 . 1 1 546 546 LEU HA H 546 4.590 4.590 4.452 0.138 19213 642 1 . 1 1 546 546 LEU C C 546 174.041 174.041 176.275 -2.234 19213 643 1 . 1 1 546 546 LEU CA C 546 55.029 55.029 55.382 -0.353 19213 644 1 . 1 1 546 546 LEU CB C 546 42.361 42.361 41.340 1.021 19213 645 1 . 1 1 546 546 LEU H H 546 9.175 9.175 8.842 0.333 19213 646 1 . 1 1 547 547 PHE N N 547 132.161 132.161 125.527 6.634 19213 647 1 . 1 1 547 547 PHE HA H 547 4.564 4.564 4.723 -0.158 19213 648 1 . 1 1 547 547 PHE C C 547 176.063 176.063 174.546 1.517 19213 649 1 . 1 1 547 547 PHE CA C 547 59.445 59.445 58.332 1.113 19213 650 1 . 1 1 547 547 PHE CB C 547 41.069 41.069 40.902 0.167 19213 651 1 . 1 1 547 547 PHE H H 547 8.925 8.925 7.996 0.929 19213 652 1 . 1 1 548 548 GLY N N 548 103.713 103.713 104.317 -0.604 19213 653 1 . 1 1 548 548 GLY C C 548 169.176 169.176 171.042 -1.866 19213 654 1 . 1 1 548 548 GLY CA C 548 45.906 45.906 44.443 1.463 19213 655 1 . 1 1 548 548 GLY H H 548 8.025 8.025 7.346 0.679 19213 656 1 . 1 1 549 549 LEU N N 549 117.457 117.457 119.063 -1.606 19213 657 1 . 1 1 549 549 LEU HA H 549 4.872 4.872 4.852 0.020 19213 658 1 . 1 1 549 549 LEU C C 549 174.008 174.008 173.579 0.429 19213 659 1 . 1 1 549 549 LEU CA C 549 52.697 52.697 54.683 -1.986 19213 660 1 . 1 1 549 549 LEU CB C 549 44.641 44.641 46.651 -2.010 19213 661 1 . 1 1 549 549 LEU H H 549 8.738 8.738 7.434 1.304 19213 662 1 . 1 1 550 550 LEU N N 550 127.533 127.533 126.979 0.554 19213 663 1 . 1 1 550 550 LEU HA H 550 4.920 4.920 4.611 0.309 19213 664 1 . 1 1 550 550 LEU C C 550 175.162 175.162 174.518 0.644 19213 665 1 . 1 1 550 550 LEU CA C 550 53.922 53.922 53.617 0.305 19213 666 1 . 1 1 550 550 LEU CB C 550 42.857 42.857 43.852 -0.995 19213 667 1 . 1 1 550 550 LEU H H 550 9.078 9.078 7.919 1.159 19213 668 1 . 1 1 551 551 ILE N N 551 123.427 123.427 125.857 -2.430 19213 669 1 . 1 1 551 551 ILE HA H 551 5.332 5.332 5.044 0.288 19213 670 1 . 1 1 551 551 ILE C C 551 174.056 174.056 173.879 0.177 19213 671 1 . 1 1 551 551 ILE CA C 551 59.702 59.702 58.892 0.809 19213 672 1 . 1 1 551 551 ILE CB C 551 41.568 41.568 40.866 0.702 19213 673 1 . 1 1 551 551 ILE H H 551 8.382 8.382 7.870 0.512 19213 674 1 . 1 1 552 552 ALA N N 552 129.153 129.153 127.953 1.200 19213 675 1 . 1 1 552 552 ALA HA H 552 5.130 5.130 4.332 0.798 19213 676 1 . 1 1 552 552 ALA C C 552 176.892 176.892 174.629 2.263 19213 677 1 . 1 1 552 552 ALA CA C 552 49.481 49.481 50.041 -0.560 19213 678 1 . 1 1 552 552 ALA CB C 552 22.936 22.936 21.387 1.549 19213 679 1 . 1 1 552 552 ALA H H 552 9.245 9.245 7.614 1.631 19213 680 1 . 1 1 553 553 HIS N N 553 117.481 117.481 119.198 -1.716 19213 681 1 . 1 1 553 553 HIS HA H 553 5.879 5.879 4.711 1.168 19213 682 1 . 1 1 553 553 HIS C C 553 175.709 175.709 173.880 1.829 19213 683 1 . 1 1 553 553 HIS CA C 553 52.575 52.575 55.123 -2.548 19213 684 1 . 1 1 553 553 HIS CB C 553 36.391 36.391 33.768 2.623 19213 685 1 . 1 1 553 553 HIS H H 553 9.584 9.584 8.453 1.132 19213 686 1 . 1 1 554 554 GLN N N 554 125.534 125.534 122.335 3.199 19213 687 1 . 1 1 554 554 GLN HA H 554 4.604 4.604 4.472 0.132 19213 688 1 . 1 1 554 554 GLN C C 554 174.647 174.647 175.667 -1.020 19213 689 1 . 1 1 554 554 GLN CA C 554 55.753 55.753 55.316 0.437 19213 690 1 . 1 1 554 554 GLN CB C 554 30.350 30.350 28.960 1.390 19213 691 1 . 1 1 554 554 GLN H H 554 9.240 9.240 8.857 0.382 19213 692 1 . 1 1 555 555 ALA N N 555 135.281 135.281 129.125 6.156 19213 693 1 . 1 1 555 555 ALA HA H 555 4.543 4.543 4.148 0.395 19213 694 1 . 1 1 555 555 ALA C C 555 177.707 177.707 177.160 0.547 19213 695 1 . 1 1 555 555 ALA CA C 555 53.062 53.062 53.256 -0.194 19213 696 1 . 1 1 555 555 ALA CB C 555 19.238 19.238 17.816 1.422 19213 697 1 . 1 1 555 555 ALA H H 555 11.446 11.446 8.481 2.965 19213 698 1 . 1 1 556 556 SER N N 556 110.784 110.784 113.387 -2.603 19213 699 1 . 1 1 556 556 SER HA H 556 4.190 4.190 4.513 -0.323 19213 700 1 . 1 1 556 556 SER C C 556 174.538 174.538 174.626 -0.088 19213 701 1 . 1 1 556 556 SER CA C 556 60.691 60.691 59.678 1.013 19213 702 1 . 1 1 556 556 SER CB C 556 63.729 63.729 64.554 -0.825 19213 703 1 . 1 1 556 556 SER H H 556 8.106 8.106 7.759 0.347 19213 704 1 . 1 1 557 557 GLU N N 557 118.812 118.812 119.710 -0.898 19213 705 1 . 1 1 557 557 GLU CA C 557 53.779 53.779 53.461 0.318 19213 706 1 . 1 1 557 557 GLU CB C 557 30.585 30.585 31.525 -0.940 19213 707 1 . 1 1 557 557 GLU H H 557 7.380 7.380 8.001 -0.621 19213 708 1 . 1 1 558 558 PRO HA H 558 4.290 4.290 4.586 -0.296 19213 709 1 . 1 1 558 558 PRO C C 558 175.238 175.238 176.266 -1.028 19213 710 1 . 1 1 558 558 PRO CA C 558 62.733 62.733 63.251 -0.517 19213 711 1 . 1 1 558 558 PRO CB C 558 32.892 32.892 32.266 0.626 19213 712 1 . 1 1 559 559 ARG N N 559 121.705 121.705 119.438 2.267 19213 713 1 . 1 1 559 559 ARG HA H 559 3.949 3.949 4.504 -0.555 19213 714 1 . 1 1 559 559 ARG C C 559 171.339 171.339 173.704 -2.365 19213 715 1 . 1 1 559 559 ARG CA C 559 55.522 55.522 55.149 0.372 19213 716 1 . 1 1 559 559 ARG CB C 559 33.266 33.266 33.355 -0.089 19213 717 1 . 1 1 559 559 ARG H H 559 8.106 8.106 8.401 -0.295 19213 718 1 . 1 1 560 560 GLN N N 560 125.611 125.611 123.530 2.081 19213 719 1 . 1 1 560 560 GLN HA H 560 4.386 4.386 3.836 0.550 19213 720 1 . 1 1 560 560 GLN C C 560 175.691 175.691 174.754 0.937 19213 721 1 . 1 1 560 560 GLN CA C 560 53.655 53.655 54.347 -0.692 19213 722 1 . 1 1 560 560 GLN CB C 560 27.650 27.650 29.153 -1.503 19213 723 1 . 1 1 560 560 GLN H H 560 8.295 8.295 8.441 -0.146 19213 724 1 . 1 1 561 561 TRP N N 561 132.619 132.619 125.959 6.660 19213 725 1 . 1 1 561 561 TRP HA H 561 4.449 4.449 4.808 -0.359 19213 726 1 . 1 1 561 561 TRP C C 561 176.089 176.089 176.127 -0.038 19213 727 1 . 1 1 561 561 TRP CA C 561 56.370 56.370 55.814 0.556 19213 728 1 . 1 1 561 561 TRP CB C 561 28.641 28.641 29.460 -0.819 19213 729 1 . 1 1 561 561 TRP H H 561 7.899 7.899 7.022 0.877 19213 730 1 . 1 1 562 562 GLN N N 562 124.398 124.398 123.974 0.424 19213 731 1 . 1 1 562 562 GLN HA H 562 4.465 4.465 4.222 0.243 19213 732 1 . 1 1 562 562 GLN C C 562 177.060 177.060 177.142 -0.083 19213 733 1 . 1 1 562 562 GLN CA C 562 54.712 54.712 55.681 -0.969 19213 734 1 . 1 1 562 562 GLN CB C 562 30.536 30.536 29.623 0.913 19213 735 1 . 1 1 562 562 GLN H H 562 9.714 9.714 8.590 1.124 19213 736 1 . 1 1 563 563 GLU N N 563 124.299 124.299 121.248 3.051 19213 737 1 . 1 1 563 563 GLU HA H 563 3.913 3.913 4.068 -0.155 19213 738 1 . 1 1 563 563 GLU C C 563 178.669 178.669 178.660 0.009 19213 739 1 . 1 1 563 563 GLU CA C 563 61.261 61.261 59.665 1.596 19213 740 1 . 1 1 563 563 GLU CB C 563 29.246 29.246 29.313 -0.067 19213 741 1 . 1 1 563 563 GLU H H 563 9.197 9.197 8.978 0.219 19213 742 1 . 1 1 564 564 ILE N N 564 115.325 115.325 118.862 -3.537 19213 743 1 . 1 1 564 564 ILE HA H 564 4.217 4.217 3.890 0.327 19213 744 1 . 1 1 564 564 ILE C C 564 177.495 177.495 178.059 -0.564 19213 745 1 . 1 1 564 564 ILE CA C 564 63.396 63.396 64.081 -0.685 19213 746 1 . 1 1 564 564 ILE CB C 564 37.815 37.815 36.955 0.860 19213 747 1 . 1 1 564 564 ILE H H 564 8.482 8.482 8.221 0.261 19213 748 1 . 1 1 565 565 GLU N N 565 121.151 121.151 119.649 1.502 19213 749 1 . 1 1 565 565 GLU HA H 565 4.014 4.014 4.077 -0.063 19213 750 1 . 1 1 565 565 GLU C C 565 178.136 178.136 179.490 -1.354 19213 751 1 . 1 1 565 565 GLU CA C 565 58.734 58.734 59.459 -0.725 19213 752 1 . 1 1 565 565 GLU CB C 565 29.617 29.617 29.044 0.573 19213 753 1 . 1 1 565 565 GLU H H 565 6.700 6.700 7.666 -0.966 19213 754 1 . 1 1 566 566 ILE N N 566 119.835 119.835 120.614 -0.779 19213 755 1 . 1 1 566 566 ILE HA H 566 3.450 3.450 4.001 -0.551 19213 756 1 . 1 1 566 566 ILE C C 566 178.664 178.664 178.028 0.636 19213 757 1 . 1 1 566 566 ILE CA C 566 66.463 66.463 64.683 1.780 19213 758 1 . 1 1 566 566 ILE CB C 566 38.360 38.360 37.310 1.050 19213 759 1 . 1 1 566 566 ILE H H 566 8.122 8.122 7.634 0.488 19213 760 1 . 1 1 567 567 ASP N N 567 120.402 120.402 120.627 -0.225 19213 761 1 . 1 1 567 567 ASP HA H 567 4.372 4.372 4.302 0.070 19213 762 1 . 1 1 567 567 ASP C C 567 179.395 179.395 178.847 0.548 19213 763 1 . 1 1 567 567 ASP CA C 567 57.846 57.846 57.649 0.197 19213 764 1 . 1 1 567 567 ASP CB C 567 40.610 40.610 40.323 0.287 19213 765 1 . 1 1 567 567 ASP H H 567 8.503 8.503 8.009 0.494 19213 766 1 . 1 1 568 568 GLN N N 568 118.044 118.044 118.719 -0.675 19213 767 1 . 1 1 568 568 GLN HA H 568 4.147 4.147 3.999 0.148 19213 768 1 . 1 1 568 568 GLN C C 568 179.163 179.163 178.576 0.587 19213 769 1 . 1 1 568 568 GLN CA C 568 59.243 59.243 58.719 0.524 19213 770 1 . 1 1 568 568 GLN CB C 568 29.668 29.668 28.455 1.214 19213 771 1 . 1 1 568 568 GLN H H 568 8.273 8.273 7.803 0.470 19213 772 1 . 1 1 569 569 PHE N N 569 124.363 124.363 120.012 4.351 19213 773 1 . 1 1 569 569 PHE HA H 569 4.303 4.303 4.110 0.193 19213 774 1 . 1 1 569 569 PHE C C 569 177.052 177.052 177.932 -0.880 19213 775 1 . 1 1 569 569 PHE CA C 569 61.230 61.230 61.711 -0.481 19213 776 1 . 1 1 569 569 PHE CB C 569 40.614 40.614 38.520 2.094 19213 777 1 . 1 1 569 569 PHE H H 569 8.962 8.962 7.957 1.005 19213 778 1 . 1 1 570 570 SER N N 570 113.474 113.474 115.543 -2.069 19213 779 1 . 1 1 570 570 SER HA H 570 4.353 4.353 4.126 0.227 19213 780 1 . 1 1 570 570 SER C C 570 177.332 177.332 176.961 0.371 19213 781 1 . 1 1 570 570 SER CA C 570 61.727 61.727 62.358 -0.631 19213 782 1 . 1 1 570 570 SER CB C 570 62.752 62.752 62.769 -0.017 19213 783 1 . 1 1 570 570 SER H H 570 8.880 8.880 8.459 0.421 19213 784 1 . 1 1 571 571 GLU N N 571 122.935 122.935 122.257 0.678 19213 785 1 . 1 1 571 571 GLU HA H 571 4.151 4.151 4.068 0.083 19213 786 1 . 1 1 571 571 GLU C C 571 178.900 178.900 179.367 -0.467 19213 787 1 . 1 1 571 571 GLU CA C 571 59.404 59.404 59.060 0.344 19213 788 1 . 1 1 571 571 GLU CB C 571 29.340 29.340 29.617 -0.277 19213 789 1 . 1 1 571 571 GLU H H 571 8.251 8.251 7.739 0.512 19213 790 1 . 1 1 572 572 LEU N N 572 123.239 123.239 121.190 2.049 19213 791 1 . 1 1 572 572 LEU HA H 572 4.040 4.040 4.042 -0.002 19213 792 1 . 1 1 572 572 LEU C C 572 178.222 178.222 178.629 -0.407 19213 793 1 . 1 1 572 572 LEU CA C 572 58.316 58.316 57.983 0.333 19213 794 1 . 1 1 572 572 LEU CB C 572 41.446 41.446 41.772 -0.326 19213 795 1 . 1 1 572 572 LEU H H 572 7.811 7.811 8.428 -0.617 19213 796 1 . 1 1 573 573 ALA N N 573 120.107 120.107 120.026 0.081 19213 797 1 . 1 1 573 573 ALA HA H 573 3.704 3.704 4.080 -0.376 19213 798 1 . 1 1 573 573 ALA C C 573 180.552 180.552 179.781 0.771 19213 799 1 . 1 1 573 573 ALA CA C 573 55.596 55.596 55.325 0.271 19213 800 1 . 1 1 573 573 ALA CB C 573 19.404 19.404 18.339 1.066 19213 801 1 . 1 1 573 573 ALA H H 573 7.636 7.636 8.740 -1.104 19213 802 1 . 1 1 574 574 SER N N 574 116.333 116.333 114.016 2.317 19213 803 1 . 1 1 574 574 SER HA H 574 4.415 4.415 4.198 0.217 19213 804 1 . 1 1 574 574 SER C C 574 177.418 177.418 176.600 0.818 19213 805 1 . 1 1 574 574 SER CA C 574 61.750 61.750 61.524 0.226 19213 806 1 . 1 1 574 574 SER CB C 574 62.688 62.688 62.744 -0.056 19213 807 1 . 1 1 574 574 SER H H 574 8.675 8.675 8.634 0.041 19213 808 1 . 1 1 575 575 THR N N 575 120.659 120.659 117.952 2.707 19213 809 1 . 1 1 575 575 THR HA H 575 4.001 4.001 3.971 0.030 19213 810 1 . 1 1 575 575 THR C C 575 177.033 177.033 176.664 0.369 19213 811 1 . 1 1 575 575 THR CA C 575 66.835 66.835 66.735 0.100 19213 812 1 . 1 1 575 575 THR CB C 575 68.384 68.384 68.348 0.036 19213 813 1 . 1 1 575 575 THR H H 575 8.870 8.870 7.889 0.981 19213 814 1 . 1 1 576 576 GLY N N 576 108.168 108.168 108.987 -0.819 19213 815 1 . 1 1 576 576 GLY C C 576 174.221 174.221 175.654 -1.433 19213 816 1 . 1 1 576 576 GLY CA C 576 47.808 47.808 46.941 0.867 19213 817 1 . 1 1 576 576 GLY H H 576 8.687 8.687 7.739 0.948 19213 818 1 . 1 1 577 577 SER N N 577 118.111 118.111 117.609 0.502 19213 819 1 . 1 1 577 577 SER HA H 577 3.889 3.889 3.805 0.084 19213 820 1 . 1 1 577 577 SER C C 577 174.830 174.830 176.555 -1.725 19213 821 1 . 1 1 577 577 SER CA C 577 63.606 63.606 61.487 2.119 19213 822 1 . 1 1 577 577 SER CB C 577 62.564 62.564 62.866 -0.301 19213 823 1 . 1 1 577 577 SER H H 577 8.314 8.314 7.543 0.771 19213 824 1 . 1 1 578 578 LEU N N 578 122.532 122.532 120.857 1.675 19213 825 1 . 1 1 578 578 LEU HA H 578 3.785 3.785 4.105 -0.320 19213 826 1 . 1 1 578 578 LEU C C 578 179.351 179.351 179.142 0.209 19213 827 1 . 1 1 578 578 LEU CA C 578 58.109 58.109 57.406 0.703 19213 828 1 . 1 1 578 578 LEU CB C 578 41.837 41.837 41.307 0.530 19213 829 1 . 1 1 578 578 LEU H H 578 7.841 7.841 7.516 0.325 19213 830 1 . 1 1 579 579 VAL N N 579 122.455 122.455 118.400 4.055 19213 831 1 . 1 1 579 579 VAL CA C 579 59.949 59.949 65.860 -5.911 19213 832 1 . 1 1 579 579 VAL CB C 579 31.167 31.167 31.222 -0.055 19213 833 1 . 1 1 579 579 VAL H H 579 8.789 8.789 7.320 1.469 19213 834 1 . 1 1 582 582 ARG HA H 582 3.694 3.694 4.178 -0.485 19213 835 1 . 1 1 582 582 ARG C C 582 170.822 170.822 178.869 -8.047 19213 836 1 . 1 1 582 582 ARG CA C 582 58.211 58.211 58.829 -0.618 19213 837 1 . 1 1 582 582 ARG CB C 582 30.031 30.031 30.250 -0.219 19213 838 1 . 1 1 583 583 LEU N N 583 118.579 118.579 119.302 -0.723 19213 839 1 . 1 1 583 583 LEU CA C 583 58.995 58.995 57.164 1.831 19213 840 1 . 1 1 583 583 LEU CB C 583 42.668 42.668 41.841 0.828 19213 841 1 . 1 1 583 583 LEU H H 583 7.100 7.100 7.726 -0.626 19213 842 1 . 1 1 585 585 PHE C C 585 176.850 176.850 174.838 2.012 19213 843 1 . 1 1 585 585 PHE CA C 585 54.882 54.882 57.484 -2.602 19213 844 1 . 1 1 585 585 PHE CB C 585 41.019 41.019 40.338 0.681 19213 845 1 . 1 1 586 586 LEU N N 586 122.944 122.944 123.744 -0.800 19213 846 1 . 1 1 586 586 LEU CA C 586 55.891 55.891 55.440 0.451 19213 847 1 . 1 1 586 586 LEU CB C 586 42.021 42.021 42.332 -0.311 19213 848 1 . 1 1 586 586 LEU H H 586 8.147 8.147 8.256 -0.109 19213 849 1 . 1 1 587 587 GLU HA H 587 4.213 4.213 4.042 0.171 19213 850 1 . 1 1 587 587 GLU C C 587 176.917 176.917 177.102 -0.185 19213 851 1 . 1 1 587 587 GLU CA C 587 57.437 57.437 58.172 -0.735 19213 852 1 . 1 1 587 587 GLU CB C 587 30.047 30.047 29.683 0.364 19213 853 1 . 1 1 588 588 GLN N N 588 120.604 120.604 117.290 3.314 19213 854 1 . 1 1 588 588 GLN CA C 588 57.300 57.300 56.489 0.811 19213 855 1 . 1 1 588 588 GLN CB C 588 30.196 30.196 28.255 1.941 19213 856 1 . 1 1 588 588 GLN H H 588 8.402 8.402 8.060 0.342 19213 857 1 . 1 1 589 589 THR HA H 589 4.167 4.167 4.293 -0.126 19213 858 1 . 1 1 589 589 THR C C 589 174.851 174.851 175.089 -0.238 19213 859 1 . 1 1 589 589 THR CA C 589 62.959 62.959 63.165 -0.206 19213 860 1 . 1 1 589 589 THR CB C 589 69.693 69.693 68.975 0.718 19213 861 1 . 1 1 590 590 ILE N N 590 123.158 123.158 118.834 4.324 19213 862 1 . 1 1 590 590 ILE CA C 590 61.524 61.524 60.255 1.269 19213 863 1 . 1 1 590 590 ILE CB C 590 38.402 38.402 37.230 1.172 19213 864 1 . 1 1 590 590 ILE H H 590 8.028 8.028 7.719 0.309 19213 865 1 . 1 1 591 591 ALA HA H 591 4.180 4.180 4.168 0.012 19213 866 1 . 1 1 591 591 ALA C C 591 178.457 178.457 178.744 -0.287 19213 867 1 . 1 1 591 591 ALA CA C 591 53.569 53.569 53.990 -0.421 19213 868 1 . 1 1 591 591 ALA CB C 591 18.733 18.733 18.827 -0.094 19213 869 1 . 1 1 592 592 SER N N 592 113.507 113.507 113.784 -0.277 19213 870 1 . 1 1 592 592 SER HA H 592 4.290 4.290 4.255 0.035 19213 871 1 . 1 1 592 592 SER C C 592 174.913 174.913 175.013 -0.099 19213 872 1 . 1 1 592 592 SER CA C 592 58.992 58.992 59.745 -0.753 19213 873 1 . 1 1 592 592 SER CB C 592 63.550 63.550 63.359 0.191 19213 874 1 . 1 1 592 592 SER H H 592 7.946 7.946 8.322 -0.376 19213 stop_ save_