data_19214 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19214 _Entry.PDB_ID 2M7V 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 19214 _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 1 431 431 ALA HA H 431 4.315 4.315 4.166 0.149 19214 2 1 1 . 1 1 431 431 ALA C C 431 177.643 177.643 178.044 -0.401 19214 3 1 1 . 1 1 431 431 ALA CA C 431 52.380 52.380 52.154 0.226 19214 4 1 1 . 1 1 431 431 ALA CB C 431 19.190 19.190 18.701 0.489 19214 5 1 1 . 1 1 432 432 VAL N N 432 120.312 120.312 123.033 -2.721 19214 6 1 1 . 1 1 432 432 VAL HA H 432 4.019 4.019 3.575 0.444 19214 7 1 1 . 1 1 432 432 VAL C C 432 175.763 175.763 176.990 -1.227 19214 8 1 1 . 1 1 432 432 VAL CA C 432 62.234 62.234 65.365 -3.131 19214 9 1 1 . 1 1 432 432 VAL CB C 432 33.009 33.009 32.039 0.970 19214 10 1 1 . 1 1 432 432 VAL H H 432 8.178 8.178 8.629 -0.451 19214 11 1 1 . 1 1 433 433 GLN N N 433 124.379 124.379 118.528 5.851 19214 12 1 1 . 1 1 433 433 GLN CB C 433 29.519 29.519 28.050 1.469 19214 13 1 1 . 1 1 433 433 GLN H H 433 8.502 8.502 8.574 -0.072 19214 14 1 1 . 1 1 435 435 SER HA H 435 4.069 4.069 4.235 -0.166 19214 15 1 1 . 1 1 435 435 SER C C 435 178.994 178.994 175.956 3.038 19214 16 1 1 . 1 1 435 435 SER CA C 435 60.511 60.511 61.276 -0.765 19214 17 1 1 . 1 1 435 435 SER CB C 435 62.860 62.860 63.230 -0.370 19214 18 1 1 . 1 1 436 436 GLU N N 436 119.753 119.753 119.360 0.393 19214 19 1 1 . 1 1 436 436 GLU HA H 436 4.293 4.293 4.261 0.032 19214 20 1 1 . 1 1 436 436 GLU C C 436 176.644 176.644 175.855 0.789 19214 21 1 1 . 1 1 436 436 GLU CA C 436 56.016 56.016 56.015 0.001 19214 22 1 1 . 1 1 436 436 GLU CB C 436 30.335 30.335 29.691 0.644 19214 23 1 1 . 1 1 436 436 GLU H H 436 7.805 7.805 7.888 -0.083 19214 24 1 1 . 1 1 437 437 LEU N N 437 120.618 120.618 122.200 -1.582 19214 25 1 1 . 1 1 437 437 LEU HA H 437 4.150 4.150 4.190 -0.040 19214 26 1 1 . 1 1 437 437 LEU CA C 437 55.497 55.497 55.679 -0.182 19214 27 1 1 . 1 1 437 437 LEU CB C 437 43.460 43.460 41.373 2.087 19214 28 1 1 . 1 1 437 437 LEU H H 437 7.352 7.352 7.428 -0.076 19214 29 1 1 . 1 1 440 440 ARG HA H 440 3.240 3.240 3.963 -0.723 19214 30 1 1 . 1 1 440 440 ARG C C 440 175.895 175.895 177.966 -2.071 19214 31 1 1 . 1 1 440 440 ARG CA C 440 60.040 60.040 58.973 1.067 19214 32 1 1 . 1 1 440 440 ARG CB C 440 30.218 30.218 30.498 -0.280 19214 33 1 1 . 1 1 441 441 GLN N N 441 117.761 117.761 117.915 -0.154 19214 34 1 1 . 1 1 441 441 GLN HA H 441 3.894 3.894 4.336 -0.442 19214 35 1 1 . 1 1 441 441 GLN C C 441 177.959 177.959 177.864 0.095 19214 36 1 1 . 1 1 441 441 GLN CA C 441 58.904 58.904 58.389 0.515 19214 37 1 1 . 1 1 441 441 GLN CB C 441 27.387 27.387 28.439 -1.052 19214 38 1 1 . 1 1 441 441 GLN H H 441 8.075 8.075 8.073 0.002 19214 39 1 1 . 1 1 442 442 ALA N N 442 120.325 120.325 123.703 -3.378 19214 40 1 1 . 1 1 442 442 ALA HA H 442 4.142 4.142 4.066 0.076 19214 41 1 1 . 1 1 442 442 ALA C C 442 181.535 181.535 179.601 1.934 19214 42 1 1 . 1 1 442 442 ALA CA C 442 54.843 54.843 55.295 -0.452 19214 43 1 1 . 1 1 442 442 ALA CB C 442 18.746 18.746 17.919 0.827 19214 44 1 1 . 1 1 442 442 ALA H H 442 7.859 7.859 7.931 -0.072 19214 45 1 1 . 1 1 443 443 ILE N N 443 120.878 120.878 114.654 6.224 19214 46 1 1 . 1 1 443 443 ILE HA H 443 3.412 3.412 3.641 -0.229 19214 47 1 1 . 1 1 443 443 ILE C C 443 177.554 177.554 177.569 -0.015 19214 48 1 1 . 1 1 443 443 ILE CA C 443 65.839 65.839 64.418 1.421 19214 49 1 1 . 1 1 443 443 ILE CB C 443 37.236 37.236 37.155 0.081 19214 50 1 1 . 1 1 443 443 ILE H H 443 7.668 7.668 7.324 0.344 19214 51 1 1 . 1 1 444 444 PHE N N 444 119.157 119.157 120.414 -1.257 19214 52 1 1 . 1 1 444 444 PHE HA H 444 4.364 4.364 4.202 0.162 19214 53 1 1 . 1 1 444 444 PHE C C 444 178.054 178.054 177.911 0.143 19214 54 1 1 . 1 1 444 444 PHE CA C 444 58.952 58.952 61.520 -2.567 19214 55 1 1 . 1 1 444 444 PHE CB C 444 37.948 37.948 38.849 -0.901 19214 56 1 1 . 1 1 444 444 PHE H H 444 8.128 8.128 7.332 0.796 19214 57 1 1 . 1 1 445 445 GLU N N 445 116.382 116.382 118.205 -1.823 19214 58 1 1 . 1 1 445 445 GLU HA H 445 3.985 3.985 4.118 -0.133 19214 59 1 1 . 1 1 445 445 GLU C C 445 179.563 179.563 179.690 -0.127 19214 60 1 1 . 1 1 445 445 GLU CA C 445 59.156 59.156 59.603 -0.447 19214 61 1 1 . 1 1 445 445 GLU CB C 445 29.177 29.177 29.122 0.055 19214 62 1 1 . 1 1 445 445 GLU H H 445 8.711 8.711 9.153 -0.442 19214 63 1 1 . 1 1 446 446 THR N N 446 118.118 118.118 116.689 1.429 19214 64 1 1 . 1 1 446 446 THR HA H 446 4.066 4.066 4.132 -0.066 19214 65 1 1 . 1 1 446 446 THR C C 446 175.861 175.861 176.482 -0.621 19214 66 1 1 . 1 1 446 446 THR CA C 446 67.041 67.041 66.465 0.576 19214 67 1 1 . 1 1 446 446 THR CB C 446 68.218 68.218 68.718 -0.500 19214 68 1 1 . 1 1 446 446 THR H H 446 8.105 8.105 7.697 0.408 19214 69 1 1 . 1 1 447 447 LEU N N 447 121.874 121.874 121.872 0.002 19214 70 1 1 . 1 1 447 447 LEU HA H 447 3.852 3.852 3.872 -0.020 19214 71 1 1 . 1 1 447 447 LEU C C 447 179.512 179.512 178.993 0.519 19214 72 1 1 . 1 1 447 447 LEU CA C 447 58.956 58.956 58.034 0.922 19214 73 1 1 . 1 1 447 447 LEU CB C 447 42.493 42.493 41.318 1.175 19214 74 1 1 . 1 1 447 447 LEU H H 447 8.552 8.552 7.433 1.119 19214 75 1 1 . 1 1 448 448 VAL N N 448 108.313 108.313 118.461 -10.148 19214 76 1 1 . 1 1 448 448 VAL HA H 448 4.039 4.039 3.724 0.315 19214 77 1 1 . 1 1 448 448 VAL C C 448 177.323 177.323 176.672 0.651 19214 78 1 1 . 1 1 448 448 VAL CA C 448 64.562 64.562 66.089 -1.527 19214 79 1 1 . 1 1 448 448 VAL CB C 448 30.055 30.055 31.696 -1.641 19214 80 1 1 . 1 1 448 448 VAL H H 448 7.695 7.695 7.542 0.153 19214 81 1 1 . 1 1 449 449 ALA N N 449 124.683 124.683 121.654 3.029 19214 82 1 1 . 1 1 449 449 ALA HA H 449 4.246 4.246 4.022 0.224 19214 83 1 1 . 1 1 449 449 ALA C C 449 181.275 181.275 179.813 1.462 19214 84 1 1 . 1 1 449 449 ALA CA C 449 55.054 55.054 55.306 -0.252 19214 85 1 1 . 1 1 449 449 ALA CB C 449 18.528 18.528 18.134 0.394 19214 86 1 1 . 1 1 449 449 ALA H H 449 7.421 7.421 7.402 0.019 19214 87 1 1 . 1 1 450 450 LYS N N 450 118.092 118.092 118.315 -0.223 19214 88 1 1 . 1 1 450 450 LYS HA H 450 4.170 4.170 4.098 0.072 19214 89 1 1 . 1 1 450 450 LYS C C 450 180.083 180.083 179.116 0.967 19214 90 1 1 . 1 1 450 450 LYS CA C 450 58.219 58.219 59.195 -0.976 19214 91 1 1 . 1 1 450 450 LYS CB C 450 31.697 31.697 32.519 -0.822 19214 92 1 1 . 1 1 450 450 LYS H H 450 8.806 8.806 8.153 0.652 19214 93 1 1 . 1 1 451 451 GLY N N 451 108.217 108.217 108.407 -0.190 19214 94 1 1 . 1 1 451 451 GLY C C 451 173.724 173.724 175.904 -2.180 19214 95 1 1 . 1 1 451 451 GLY CA C 451 47.965 47.965 47.483 0.483 19214 96 1 1 . 1 1 451 451 GLY H H 451 8.816 8.816 8.775 0.041 19214 97 1 1 . 1 1 452 452 ARG N N 452 122.310 122.310 121.654 0.656 19214 98 1 1 . 1 1 452 452 ARG HA H 452 4.100 4.100 3.973 0.127 19214 99 1 1 . 1 1 452 452 ARG C C 452 178.908 178.908 177.738 1.170 19214 100 1 1 . 1 1 452 452 ARG CA C 452 60.504 60.504 59.597 0.907 19214 101 1 1 . 1 1 452 452 ARG CB C 452 30.208 30.208 30.358 -0.150 19214 102 1 1 . 1 1 452 452 ARG H H 452 8.190 8.190 8.196 -0.006 19214 103 1 1 . 1 1 453 453 GLU N N 453 119.749 119.749 118.188 1.561 19214 104 1 1 . 1 1 453 453 GLU HA H 453 4.076 4.076 4.221 -0.145 19214 105 1 1 . 1 1 453 453 GLU C C 453 178.638 178.638 178.795 -0.157 19214 106 1 1 . 1 1 453 453 GLU CA C 453 58.999 58.999 58.656 0.343 19214 107 1 1 . 1 1 453 453 GLU CB C 453 30.188 30.188 29.524 0.664 19214 108 1 1 . 1 1 453 453 GLU H H 453 7.872 7.872 7.554 0.318 19214 109 1 1 . 1 1 454 454 LEU N N 454 119.235 119.235 119.002 0.233 19214 110 1 1 . 1 1 454 454 LEU HA H 454 4.157 4.157 4.092 0.065 19214 111 1 1 . 1 1 454 454 LEU C C 454 178.446 178.446 178.708 -0.262 19214 112 1 1 . 1 1 454 454 LEU CA C 454 57.868 57.868 58.051 -0.183 19214 113 1 1 . 1 1 454 454 LEU CB C 454 43.001 43.001 42.377 0.624 19214 114 1 1 . 1 1 454 454 LEU H H 454 8.275 8.275 8.382 -0.107 19214 115 1 1 . 1 1 455 455 LEU N N 455 112.983 112.983 115.732 -2.749 19214 116 1 1 . 1 1 455 455 LEU HA H 455 4.406 4.406 4.149 0.257 19214 117 1 1 . 1 1 455 455 LEU C C 455 177.047 177.047 176.866 0.181 19214 118 1 1 . 1 1 455 455 LEU CA C 455 54.730 54.730 55.712 -0.982 19214 119 1 1 . 1 1 455 455 LEU CB C 455 43.848 43.848 42.335 1.513 19214 120 1 1 . 1 1 455 455 LEU H H 455 7.393 7.393 8.422 -1.029 19214 121 1 1 . 1 1 456 456 ALA N N 456 124.090 124.090 116.787 7.303 19214 122 1 1 . 1 1 456 456 ALA HA H 456 4.239 4.239 4.066 0.173 19214 123 1 1 . 1 1 456 456 ALA C C 456 177.010 177.010 177.353 -0.343 19214 124 1 1 . 1 1 456 456 ALA CA C 456 52.955 52.955 52.651 0.304 19214 125 1 1 . 1 1 456 456 ALA CB C 456 16.479 16.479 16.400 0.079 19214 126 1 1 . 1 1 456 456 ALA H H 456 8.567 8.567 7.593 0.974 19214 127 1 1 . 1 1 457 457 CYS N N 457 111.388 111.388 116.388 -5.000 19214 128 1 1 . 1 1 457 457 CYS HA H 457 5.658 5.658 4.408 1.250 19214 129 1 1 . 1 1 457 457 CYS C C 457 173.094 173.094 175.060 -1.966 19214 130 1 1 . 1 1 457 457 CYS CA C 457 54.770 54.770 58.046 -3.276 19214 131 1 1 . 1 1 457 457 CYS CB C 457 29.803 29.803 29.655 0.148 19214 132 1 1 . 1 1 457 457 CYS H H 457 6.942 6.942 7.594 -0.652 19214 133 1 1 . 1 1 458 458 ASP N N 458 117.058 117.058 118.391 -1.333 19214 134 1 1 . 1 1 458 458 ASP HA H 458 4.808 4.808 4.771 0.037 19214 135 1 1 . 1 1 458 458 ASP C C 458 175.313 175.313 175.578 -0.265 19214 136 1 1 . 1 1 458 458 ASP CA C 458 57.780 57.780 55.178 2.602 19214 137 1 1 . 1 1 458 458 ASP CB C 458 42.699 42.699 42.691 0.008 19214 138 1 1 . 1 1 458 458 ASP H H 458 7.157 7.157 8.459 -1.302 19214 139 1 1 . 1 1 459 459 ARG N N 459 117.570 117.570 118.156 -0.586 19214 140 1 1 . 1 1 459 459 ARG HA H 459 5.396 5.396 4.581 0.815 19214 141 1 1 . 1 1 459 459 ARG C C 459 174.465 174.465 173.639 0.826 19214 142 1 1 . 1 1 459 459 ARG CA C 459 55.628 55.628 55.667 -0.040 19214 143 1 1 . 1 1 459 459 ARG CB C 459 35.127 35.127 33.956 1.171 19214 144 1 1 . 1 1 459 459 ARG H H 459 7.946 7.946 7.572 0.374 19214 145 1 1 . 1 1 460 460 VAL N N 460 126.878 126.878 122.668 4.210 19214 146 1 1 . 1 1 460 460 VAL HA H 460 5.410 5.410 4.505 0.905 19214 147 1 1 . 1 1 460 460 VAL C C 460 174.698 174.698 173.814 0.884 19214 148 1 1 . 1 1 460 460 VAL CA C 460 61.229 61.229 61.400 -0.171 19214 149 1 1 . 1 1 460 460 VAL CB C 460 35.335 35.335 36.218 -0.883 19214 150 1 1 . 1 1 460 460 VAL H H 460 9.200 9.200 8.617 0.583 19214 151 1 1 . 1 1 461 461 ILE N N 461 120.070 120.070 119.558 0.512 19214 152 1 1 . 1 1 461 461 ILE HA H 461 5.198 5.198 4.760 0.438 19214 153 1 1 . 1 1 461 461 ILE C C 461 174.647 174.647 173.562 1.085 19214 154 1 1 . 1 1 461 461 ILE CA C 461 59.112 59.112 59.820 -0.708 19214 155 1 1 . 1 1 461 461 ILE CB C 461 42.959 42.959 42.080 0.879 19214 156 1 1 . 1 1 461 461 ILE H H 461 9.247 9.247 8.569 0.678 19214 157 1 1 . 1 1 462 462 VAL N N 462 118.676 118.676 121.720 -3.044 19214 158 1 1 . 1 1 462 462 VAL HA H 462 4.668 4.668 4.603 0.065 19214 159 1 1 . 1 1 462 462 VAL C C 462 173.970 173.970 175.093 -1.123 19214 160 1 1 . 1 1 462 462 VAL CA C 462 61.528 61.528 60.903 0.625 19214 161 1 1 . 1 1 462 462 VAL CB C 462 33.865 33.865 33.324 0.541 19214 162 1 1 . 1 1 462 462 VAL H H 462 7.400 7.400 8.693 -1.293 19214 163 1 1 . 1 1 463 463 TYR N N 463 131.551 131.551 123.997 7.554 19214 164 1 1 . 1 1 463 463 TYR HA H 463 4.937 4.937 5.458 -0.521 19214 165 1 1 . 1 1 463 463 TYR C C 463 173.196 173.196 172.549 0.647 19214 166 1 1 . 1 1 463 463 TYR CA C 463 55.589 55.589 55.467 0.122 19214 167 1 1 . 1 1 463 463 TYR CB C 463 41.849 41.849 41.696 0.153 19214 168 1 1 . 1 1 463 463 TYR H H 463 8.782 8.782 8.150 0.632 19214 169 1 1 . 1 1 464 464 ALA N N 464 127.436 127.436 122.964 4.472 19214 170 1 1 . 1 1 464 464 ALA HA H 464 4.418 4.418 4.475 -0.057 19214 171 1 1 . 1 1 464 464 ALA C C 464 175.095 175.095 174.409 0.686 19214 172 1 1 . 1 1 464 464 ALA CA C 464 50.422 50.422 49.633 0.789 19214 173 1 1 . 1 1 464 464 ALA CB C 464 22.676 22.676 22.444 0.232 19214 174 1 1 . 1 1 464 464 ALA H H 464 8.295 8.295 7.922 0.373 19214 175 1 1 . 1 1 465 465 PHE N N 465 116.385 116.385 119.656 -3.271 19214 176 1 1 . 1 1 465 465 PHE HA H 465 4.434 4.434 5.029 -0.595 19214 177 1 1 . 1 1 465 465 PHE C C 465 176.189 176.189 175.664 0.525 19214 178 1 1 . 1 1 465 465 PHE CA C 465 56.771 56.771 58.029 -1.258 19214 179 1 1 . 1 1 465 465 PHE CB C 465 42.082 42.082 39.439 2.643 19214 180 1 1 . 1 1 465 465 PHE H H 465 7.426 7.426 8.294 -0.868 19214 181 1 1 . 1 1 466 466 ASP N N 466 121.980 121.980 124.217 -2.237 19214 182 1 1 . 1 1 466 466 ASP HA H 466 4.765 4.765 4.428 0.337 19214 183 1 1 . 1 1 466 466 ASP C C 466 178.212 178.212 177.274 0.938 19214 184 1 1 . 1 1 466 466 ASP CA C 466 52.007 52.007 53.480 -1.473 19214 185 1 1 . 1 1 466 466 ASP CB C 466 41.201 41.201 42.222 -1.021 19214 186 1 1 . 1 1 466 466 ASP H H 466 8.012 8.012 7.795 0.217 19214 187 1 1 . 1 1 467 467 ASP N N 467 116.915 116.915 117.962 -1.047 19214 188 1 1 . 1 1 467 467 ASP HA H 467 4.146 4.146 4.378 -0.232 19214 189 1 1 . 1 1 467 467 ASP C C 467 176.189 176.189 175.315 0.874 19214 190 1 1 . 1 1 467 467 ASP CA C 467 56.172 56.172 54.820 1.352 19214 191 1 1 . 1 1 467 467 ASP CB C 467 40.189 40.189 39.895 0.294 19214 192 1 1 . 1 1 467 467 ASP H H 467 8.335 8.335 8.623 -0.288 19214 193 1 1 . 1 1 468 468 ASN N N 468 116.918 116.918 115.825 1.093 19214 194 1 1 . 1 1 468 468 ASN HA H 468 4.689 4.689 4.660 0.029 19214 195 1 1 . 1 1 468 468 ASN C C 468 174.068 174.068 175.263 -1.195 19214 196 1 1 . 1 1 468 468 ASN CA C 468 52.711 52.711 52.359 0.352 19214 197 1 1 . 1 1 468 468 ASN CB C 468 39.418 39.418 39.394 0.024 19214 198 1 1 . 1 1 468 468 ASN H H 468 8.237 8.237 7.988 0.249 19214 199 1 1 . 1 1 469 469 TYR N N 469 113.180 113.180 114.770 -1.590 19214 200 1 1 . 1 1 469 469 TYR HA H 469 3.614 3.614 4.283 -0.669 19214 201 1 1 . 1 1 469 469 TYR C C 469 173.766 173.766 174.396 -0.630 19214 202 1 1 . 1 1 469 469 TYR CA C 469 60.636 60.636 59.076 1.560 19214 203 1 1 . 1 1 469 469 TYR CB C 469 34.697 34.697 35.088 -0.391 19214 204 1 1 . 1 1 469 469 TYR H H 469 7.975 7.975 7.216 0.759 19214 205 1 1 . 1 1 470 470 VAL N N 470 120.871 120.871 117.912 2.959 19214 206 1 1 . 1 1 470 470 VAL HA H 470 4.100 4.100 4.323 -0.223 19214 207 1 1 . 1 1 470 470 VAL CA C 470 63.555 63.555 60.778 2.777 19214 208 1 1 . 1 1 470 470 VAL CB C 470 31.054 31.054 33.582 -2.528 19214 209 1 1 . 1 1 470 470 VAL H H 470 8.354 8.354 7.358 0.996 19214 210 1 1 . 1 1 474 474 VAL HA H 474 4.288 4.288 3.560 0.728 19214 211 1 1 . 1 1 474 474 VAL C C 474 175.489 175.489 176.162 -0.673 19214 212 1 1 . 1 1 474 474 VAL CA C 474 61.669 61.669 64.372 -2.703 19214 213 1 1 . 1 1 474 474 VAL CB C 474 32.382 32.382 31.422 0.960 19214 214 1 1 . 1 1 475 475 ALA N N 475 118.920 118.920 118.043 0.877 19214 215 1 1 . 1 1 475 475 ALA HA H 475 4.552 4.552 4.577 -0.025 19214 216 1 1 . 1 1 475 475 ALA C C 475 174.363 174.363 174.712 -0.349 19214 217 1 1 . 1 1 475 475 ALA CA C 475 52.023 52.023 51.456 0.567 19214 218 1 1 . 1 1 475 475 ALA CB C 475 23.339 23.339 22.302 1.036 19214 219 1 1 . 1 1 475 475 ALA H H 475 7.321 7.321 7.279 0.042 19214 220 1 1 . 1 1 476 476 GLU N N 476 121.933 121.933 121.985 -0.052 19214 221 1 1 . 1 1 476 476 GLU HA H 476 5.128 5.128 4.712 0.416 19214 222 1 1 . 1 1 476 476 GLU C C 476 173.921 173.921 175.194 -1.273 19214 223 1 1 . 1 1 476 476 GLU CA C 476 55.372 55.372 55.394 -0.022 19214 224 1 1 . 1 1 476 476 GLU CB C 476 35.144 35.144 33.180 1.964 19214 225 1 1 . 1 1 476 476 GLU H H 476 8.969 8.969 8.800 0.169 19214 226 1 1 . 1 1 477 477 SER N N 477 121.397 121.397 122.899 -1.502 19214 227 1 1 . 1 1 477 477 SER HA H 477 4.855 4.855 4.960 -0.105 19214 228 1 1 . 1 1 477 477 SER C C 477 173.315 173.315 172.645 0.670 19214 229 1 1 . 1 1 477 477 SER CA C 477 56.600 56.600 57.183 -0.583 19214 230 1 1 . 1 1 477 477 SER CB C 477 64.022 64.022 64.335 -0.313 19214 231 1 1 . 1 1 477 477 SER H H 477 9.069 9.069 8.586 0.483 19214 232 1 1 . 1 1 478 478 VAL N N 478 128.194 128.194 122.415 5.779 19214 233 1 1 . 1 1 478 478 VAL HA H 478 5.287 5.287 4.496 0.791 19214 234 1 1 . 1 1 478 478 VAL C C 478 173.093 173.093 174.744 -1.651 19214 235 1 1 . 1 1 478 478 VAL CA C 478 58.849 58.849 59.859 -1.010 19214 236 1 1 . 1 1 478 478 VAL CB C 478 35.764 35.764 34.673 1.091 19214 237 1 1 . 1 1 478 478 VAL H H 478 9.081 9.081 8.410 0.671 19214 238 1 1 . 1 1 479 479 ALA N N 479 129.566 129.566 130.136 -0.570 19214 239 1 1 . 1 1 479 479 ALA HA H 479 4.358 4.358 4.365 -0.007 19214 240 1 1 . 1 1 479 479 ALA C C 479 176.760 176.760 177.666 -0.906 19214 241 1 1 . 1 1 479 479 ALA CA C 479 52.215 52.215 52.318 -0.103 19214 242 1 1 . 1 1 479 479 ALA CB C 479 20.082 20.082 19.663 0.419 19214 243 1 1 . 1 1 479 479 ALA H H 479 8.688 8.688 8.353 0.335 19214 244 1 1 . 1 1 480 480 GLU N N 480 120.391 120.391 120.304 0.087 19214 245 1 1 . 1 1 480 480 GLU HA H 480 4.011 4.011 4.104 -0.093 19214 246 1 1 . 1 1 480 480 GLU C C 480 177.201 177.201 177.552 -0.351 19214 247 1 1 . 1 1 480 480 GLU CA C 480 58.178 58.178 58.367 -0.189 19214 248 1 1 . 1 1 480 480 GLU CB C 480 29.829 29.829 29.811 0.018 19214 249 1 1 . 1 1 480 480 GLU H H 480 8.531 8.531 8.602 -0.071 19214 250 1 1 . 1 1 481 481 GLY N N 481 110.913 110.913 110.668 0.245 19214 251 1 1 . 1 1 481 481 GLY C C 481 174.000 174.000 174.177 -0.177 19214 252 1 1 . 1 1 481 481 GLY CA C 481 44.644 44.644 44.366 0.278 19214 253 1 1 . 1 1 481 481 GLY H H 481 8.557 8.557 8.750 -0.193 19214 254 1 1 . 1 1 482 482 TRP N N 482 119.571 119.571 122.548 -2.977 19214 255 1 1 . 1 1 482 482 TRP HA H 482 5.200 5.200 5.026 0.174 19214 256 1 1 . 1 1 482 482 TRP CA C 482 53.641 53.641 54.338 -0.697 19214 257 1 1 . 1 1 482 482 TRP CB C 482 29.556 29.556 29.495 0.061 19214 258 1 1 . 1 1 482 482 TRP H H 482 7.066 7.066 7.263 -0.197 19214 259 1 1 . 1 1 484 484 GLN CB C 484 28.700 28.700 28.601 0.099 19214 260 1 1 . 1 1 485 485 ALA HA H 485 4.021 4.021 4.200 -0.179 19214 261 1 1 . 1 1 485 485 ALA C C 485 180.181 180.181 178.555 1.626 19214 262 1 1 . 1 1 485 485 ALA CA C 485 55.328 55.328 54.374 0.953 19214 263 1 1 . 1 1 485 485 ALA CB C 485 18.537 18.537 18.688 -0.151 19214 264 1 1 . 1 1 486 486 ARG N N 486 114.901 114.901 116.363 -1.462 19214 265 1 1 . 1 1 486 486 ARG HA H 486 4.104 4.104 4.097 0.007 19214 266 1 1 . 1 1 486 486 ARG C C 486 176.165 176.165 176.459 -0.294 19214 267 1 1 . 1 1 486 486 ARG CA C 486 58.068 58.068 58.364 -0.296 19214 268 1 1 . 1 1 486 486 ARG CB C 486 29.624 29.624 29.191 0.433 19214 269 1 1 . 1 1 486 486 ARG H H 486 8.998 8.998 8.232 0.766 19214 270 1 1 . 1 1 487 487 ASP N N 487 117.227 117.227 118.532 -1.305 19214 271 1 1 . 1 1 487 487 ASP HA H 487 4.724 4.724 4.663 0.061 19214 272 1 1 . 1 1 487 487 ASP C C 487 175.859 175.859 176.209 -0.350 19214 273 1 1 . 1 1 487 487 ASP CA C 487 54.873 54.873 55.331 -0.458 19214 274 1 1 . 1 1 487 487 ASP CB C 487 41.415 41.415 40.957 0.458 19214 275 1 1 . 1 1 487 487 ASP H H 487 7.424 7.424 7.785 -0.361 19214 276 1 1 . 1 1 488 488 GLN N N 488 117.558 117.558 119.287 -1.729 19214 277 1 1 . 1 1 488 488 GLN HA H 488 4.471 4.471 4.499 -0.028 19214 278 1 1 . 1 1 488 488 GLN C C 488 175.010 175.010 175.048 -0.038 19214 279 1 1 . 1 1 488 488 GLN CA C 488 54.037 54.037 55.020 -0.983 19214 280 1 1 . 1 1 488 488 GLN CB C 488 29.989 29.989 30.167 -0.178 19214 281 1 1 . 1 1 488 488 GLN H H 488 7.548 7.548 8.162 -0.614 19214 282 1 1 . 1 1 489 489 VAL N N 489 122.991 122.991 125.075 -2.084 19214 283 1 1 . 1 1 489 489 VAL HA H 489 4.102 4.102 4.114 -0.012 19214 284 1 1 . 1 1 489 489 VAL C C 489 175.471 175.471 175.919 -0.448 19214 285 1 1 . 1 1 489 489 VAL CA C 489 62.947 62.947 61.335 1.612 19214 286 1 1 . 1 1 489 489 VAL CB C 489 31.473 31.473 32.536 -1.063 19214 287 1 1 . 1 1 489 489 VAL H H 489 8.426 8.426 8.497 -0.071 19214 288 1 1 . 1 1 490 490 ILE N N 490 128.401 128.401 128.999 -0.598 19214 289 1 1 . 1 1 490 490 ILE HA H 490 4.310 4.310 3.819 0.491 19214 290 1 1 . 1 1 490 490 ILE H H 490 8.474 8.474 8.461 0.013 19214 291 1 1 . 1 1 491 491 GLU HA H 491 4.361 4.361 4.145 0.216 19214 292 1 1 . 1 1 491 491 GLU C C 491 174.175 174.175 176.771 -2.596 19214 293 1 1 . 1 1 491 491 GLU CA C 491 54.874 54.874 58.023 -3.149 19214 294 1 1 . 1 1 491 491 GLU CB C 491 31.063 31.063 29.514 1.549 19214 295 1 1 . 1 1 492 492 ASP N N 492 117.270 117.270 120.336 -3.066 19214 296 1 1 . 1 1 492 492 ASP HA H 492 4.730 4.730 4.630 0.100 19214 297 1 1 . 1 1 492 492 ASP CA C 492 52.914 52.914 51.580 1.334 19214 298 1 1 . 1 1 492 492 ASP CB C 492 44.223 44.223 41.296 2.927 19214 299 1 1 . 1 1 492 492 ASP H H 492 6.870 6.870 8.169 -1.299 19214 300 1 1 . 1 1 493 493 PRO C C 493 178.700 178.700 177.251 1.449 19214 301 1 1 . 1 1 493 493 PRO CA C 493 63.429 63.429 63.285 0.144 19214 302 1 1 . 1 1 493 493 PRO CB C 493 32.064 32.064 32.845 -0.781 19214 303 1 1 . 1 1 494 494 CYS N N 494 121.800 121.800 116.691 5.109 19214 304 1 1 . 1 1 494 494 CYS H H 494 8.010 8.010 8.440 -0.430 19214 305 1 1 . 1 1 495 495 PHE CB C 495 36.800 36.800 39.298 -2.498 19214 306 1 1 . 1 1 500 500 VAL C C 500 177.132 177.132 177.264 -0.132 19214 307 1 1 . 1 1 501 501 GLU N N 501 117.783 117.783 119.464 -1.681 19214 308 1 1 . 1 1 501 501 GLU C C 501 178.329 178.329 177.764 0.565 19214 309 1 1 . 1 1 501 501 GLU H H 501 8.169 8.169 8.265 -0.096 19214 310 1 1 . 1 1 502 502 ALA N N 502 120.877 120.877 121.853 -0.976 19214 311 1 1 . 1 1 502 502 ALA HA H 502 3.976 3.976 3.890 0.086 19214 312 1 1 . 1 1 502 502 ALA C C 502 181.216 181.216 179.270 1.946 19214 313 1 1 . 1 1 502 502 ALA CA C 502 55.113 55.113 54.771 0.342 19214 314 1 1 . 1 1 502 502 ALA CB C 502 17.660 17.660 17.881 -0.221 19214 315 1 1 . 1 1 502 502 ALA H H 502 7.982 7.982 7.414 0.568 19214 316 1 1 . 1 1 503 503 TYR N N 503 116.217 116.217 116.780 -0.563 19214 317 1 1 . 1 1 503 503 TYR HA H 503 4.440 4.440 4.266 0.174 19214 318 1 1 . 1 1 503 503 TYR C C 503 178.488 178.488 178.672 -0.184 19214 319 1 1 . 1 1 503 503 TYR CA C 503 62.517 62.517 59.670 2.847 19214 320 1 1 . 1 1 503 503 TYR CB C 503 38.834 38.834 37.695 1.139 19214 321 1 1 . 1 1 503 503 TYR H H 503 7.310 7.310 7.030 0.280 19214 322 1 1 . 1 1 504 504 ARG N N 504 122.384 122.384 119.600 2.784 19214 323 1 1 . 1 1 504 504 ARG HA H 504 3.748 3.748 4.007 -0.259 19214 324 1 1 . 1 1 504 504 ARG C C 504 177.207 177.207 176.552 0.655 19214 325 1 1 . 1 1 504 504 ARG CA C 504 59.734 59.734 58.789 0.945 19214 326 1 1 . 1 1 504 504 ARG CB C 504 30.200 30.200 30.074 0.126 19214 327 1 1 . 1 1 504 504 ARG H H 504 8.424 8.424 7.622 0.802 19214 328 1 1 . 1 1 505 505 GLN N N 505 112.682 112.682 115.129 -2.447 19214 329 1 1 . 1 1 505 505 GLN HA H 505 4.220 4.220 4.436 -0.216 19214 330 1 1 . 1 1 505 505 GLN C C 505 176.342 176.342 176.454 -0.112 19214 331 1 1 . 1 1 505 505 GLN CA C 505 55.587 55.587 55.047 0.540 19214 332 1 1 . 1 1 505 505 GLN CB C 505 28.591 28.591 29.543 -0.952 19214 333 1 1 . 1 1 505 505 GLN H H 505 7.436 7.436 7.447 -0.011 19214 334 1 1 . 1 1 506 506 GLY N N 506 107.068 107.068 109.756 -2.688 19214 335 1 1 . 1 1 506 506 GLY C C 506 174.202 174.202 173.823 0.379 19214 336 1 1 . 1 1 506 506 GLY CA C 506 45.499 45.499 44.996 0.503 19214 337 1 1 . 1 1 506 506 GLY H H 506 7.910 7.910 8.045 -0.135 19214 338 1 1 . 1 1 507 507 ARG N N 507 123.044 123.044 120.133 2.911 19214 339 1 1 . 1 1 507 507 ARG HA H 507 3.857 3.857 4.213 -0.356 19214 340 1 1 . 1 1 507 507 ARG C C 507 172.375 172.375 175.629 -3.254 19214 341 1 1 . 1 1 507 507 ARG CA C 507 57.969 57.969 56.298 1.671 19214 342 1 1 . 1 1 507 507 ARG CB C 507 30.269 30.269 31.373 -1.104 19214 343 1 1 . 1 1 507 507 ARG H H 507 7.934 7.934 7.672 0.262 19214 344 1 1 . 1 1 508 508 ILE N N 508 120.600 120.600 123.038 -2.438 19214 345 1 1 . 1 1 508 508 ILE HA H 508 4.819 4.819 4.228 0.591 19214 346 1 1 . 1 1 508 508 ILE C C 508 177.238 177.238 174.907 2.331 19214 347 1 1 . 1 1 508 508 ILE CA C 508 59.801 59.801 60.631 -0.830 19214 348 1 1 . 1 1 508 508 ILE CB C 508 41.877 41.877 39.011 2.866 19214 349 1 1 . 1 1 508 508 ILE H H 508 7.572 7.572 8.214 -0.642 19214 350 1 1 . 1 1 509 509 GLN N N 509 127.676 127.676 128.812 -1.136 19214 351 1 1 . 1 1 509 509 GLN HA H 509 4.761 4.761 4.682 0.079 19214 352 1 1 . 1 1 509 509 GLN C C 509 172.804 172.804 173.560 -0.756 19214 353 1 1 . 1 1 509 509 GLN CA C 509 54.158 54.158 54.571 -0.413 19214 354 1 1 . 1 1 509 509 GLN CB C 509 31.078 31.078 31.122 -0.044 19214 355 1 1 . 1 1 509 509 GLN H H 509 8.894 8.894 8.388 0.506 19214 356 1 1 . 1 1 510 510 ALA N N 510 132.910 132.910 130.226 2.684 19214 357 1 1 . 1 1 510 510 ALA HA H 510 4.912 4.912 4.710 0.202 19214 358 1 1 . 1 1 510 510 ALA C C 510 175.581 175.581 176.425 -0.844 19214 359 1 1 . 1 1 510 510 ALA CA C 510 51.180 51.180 51.315 -0.135 19214 360 1 1 . 1 1 510 510 ALA CB C 510 19.939 19.939 20.752 -0.813 19214 361 1 1 . 1 1 510 510 ALA H H 510 9.110 9.110 8.691 0.419 19214 362 1 1 . 1 1 511 511 THR N N 511 123.543 123.543 122.565 0.978 19214 363 1 1 . 1 1 511 511 THR HA H 511 4.636 4.636 4.815 -0.179 19214 364 1 1 . 1 1 511 511 THR C C 511 174.690 174.690 175.443 -0.753 19214 365 1 1 . 1 1 511 511 THR CA C 511 61.883 61.883 61.890 -0.007 19214 366 1 1 . 1 1 511 511 THR CB C 511 69.826 69.826 69.624 0.202 19214 367 1 1 . 1 1 511 511 THR H H 511 9.525 9.525 8.278 1.247 19214 368 1 1 . 1 1 512 512 THR N N 512 129.502 129.502 115.948 13.554 19214 369 1 1 . 1 1 512 512 THR HA H 512 4.524 4.524 3.977 0.547 19214 370 1 1 . 1 1 512 512 THR C C 512 172.791 172.791 173.803 -1.012 19214 371 1 1 . 1 1 512 512 THR CA C 512 63.974 63.974 64.347 -0.373 19214 372 1 1 . 1 1 512 512 THR CB C 512 69.199 69.199 69.116 0.083 19214 373 1 1 . 1 1 512 512 THR H H 512 9.024 9.024 8.843 0.181 19214 374 1 1 . 1 1 513 513 ASP N N 513 113.203 113.203 116.325 -3.122 19214 375 1 1 . 1 1 513 513 ASP HA H 513 4.891 4.891 4.776 0.115 19214 376 1 1 . 1 1 513 513 ASP C C 513 179.282 179.282 175.790 3.492 19214 377 1 1 . 1 1 513 513 ASP CA C 513 51.637 51.637 53.304 -1.667 19214 378 1 1 . 1 1 513 513 ASP CB C 513 42.591 42.591 42.166 0.425 19214 379 1 1 . 1 1 513 513 ASP H H 513 7.263 7.263 7.807 -0.544 19214 380 1 1 . 1 1 514 514 ILE N N 514 122.554 122.554 121.236 1.318 19214 381 1 1 . 1 1 514 514 ILE HA H 514 3.595 3.595 3.926 -0.331 19214 382 1 1 . 1 1 514 514 ILE C C 514 175.984 175.984 176.555 -0.571 19214 383 1 1 . 1 1 514 514 ILE CA C 514 64.552 64.552 62.940 1.613 19214 384 1 1 . 1 1 514 514 ILE CB C 514 37.796 37.796 37.690 0.106 19214 385 1 1 . 1 1 514 514 ILE H H 514 9.465 9.465 8.783 0.682 19214 386 1 1 . 1 1 515 515 PHE N N 515 117.573 117.573 117.804 -0.231 19214 387 1 1 . 1 1 515 515 PHE HA H 515 4.399 4.399 4.274 0.125 19214 388 1 1 . 1 1 515 515 PHE C C 515 176.347 176.347 176.370 -0.023 19214 389 1 1 . 1 1 515 515 PHE CA C 515 59.346 59.346 60.044 -0.698 19214 390 1 1 . 1 1 515 515 PHE CB C 515 37.709 37.709 38.769 -1.060 19214 391 1 1 . 1 1 515 515 PHE H H 515 7.804 7.804 8.367 -0.563 19214 392 1 1 . 1 1 516 516 LYS N N 516 118.690 118.690 117.345 1.345 19214 393 1 1 . 1 1 516 516 LYS HA H 516 4.692 4.692 4.411 0.281 19214 394 1 1 . 1 1 516 516 LYS C C 516 175.821 175.821 175.461 0.360 19214 395 1 1 . 1 1 516 516 LYS CA C 516 54.851 54.851 55.634 -0.783 19214 396 1 1 . 1 1 516 516 LYS CB C 516 33.855 33.855 31.983 1.873 19214 397 1 1 . 1 1 516 516 LYS H H 516 7.559 7.559 7.673 -0.114 19214 398 1 1 . 1 1 517 517 ALA N N 517 121.471 121.471 120.958 0.513 19214 399 1 1 . 1 1 517 517 ALA HA H 517 4.530 4.530 4.560 -0.030 19214 400 1 1 . 1 1 517 517 ALA CA C 517 52.124 52.124 51.462 0.662 19214 401 1 1 . 1 1 517 517 ALA CB C 517 20.974 20.974 20.805 0.169 19214 402 1 1 . 1 1 517 517 ALA H H 517 7.219 7.219 7.208 0.011 19214 403 1 1 . 1 1 518 518 GLY C C 518 175.423 175.423 174.382 1.041 19214 404 1 1 . 1 1 518 518 GLY CA C 518 46.692 46.692 45.315 1.377 19214 405 1 1 . 1 1 519 519 LEU N N 519 119.857 119.857 118.486 1.371 19214 406 1 1 . 1 1 519 519 LEU HA H 519 4.348 4.348 4.141 0.207 19214 407 1 1 . 1 1 519 519 LEU C C 519 177.704 177.704 178.207 -0.503 19214 408 1 1 . 1 1 519 519 LEU CA C 519 54.535 54.535 55.840 -1.305 19214 409 1 1 . 1 1 519 519 LEU CB C 519 41.174 41.174 41.890 -0.716 19214 410 1 1 . 1 1 519 519 LEU H H 519 8.531 8.531 7.885 0.646 19214 411 1 1 . 1 1 520 520 THR N N 520 113.386 113.386 108.264 5.122 19214 412 1 1 . 1 1 520 520 THR HA H 520 4.260 4.260 3.854 0.406 19214 413 1 1 . 1 1 520 520 THR CA C 520 61.653 61.653 63.360 -1.707 19214 414 1 1 . 1 1 520 520 THR CB C 520 71.260 71.260 67.840 3.420 19214 415 1 1 . 1 1 520 520 THR H H 520 9.352 9.352 8.498 0.854 19214 416 1 1 . 1 1 522 522 CYS HA H 522 4.385 4.385 4.398 -0.013 19214 417 1 1 . 1 1 522 522 CYS C C 522 175.903 175.903 174.349 1.554 19214 418 1 1 . 1 1 522 522 CYS CA C 522 58.664 58.664 58.867 -0.203 19214 419 1 1 . 1 1 522 522 CYS CB C 522 31.785 31.785 26.017 5.768 19214 420 1 1 . 1 1 523 523 HIS N N 523 125.416 125.416 120.526 4.890 19214 421 1 1 . 1 1 523 523 HIS HA H 523 4.430 4.430 4.398 0.032 19214 422 1 1 . 1 1 523 523 HIS C C 523 178.292 178.292 176.286 2.006 19214 423 1 1 . 1 1 523 523 HIS CA C 523 55.874 55.874 56.273 -0.399 19214 424 1 1 . 1 1 523 523 HIS CB C 523 33.792 33.792 30.641 3.151 19214 425 1 1 . 1 1 523 523 HIS H H 523 7.210 7.210 7.774 -0.564 19214 426 1 1 . 1 1 524 524 LEU N N 524 120.382 120.382 120.546 -0.164 19214 427 1 1 . 1 1 524 524 LEU HA H 524 3.447 3.447 3.584 -0.137 19214 428 1 1 . 1 1 524 524 LEU C C 524 179.772 179.772 178.161 1.611 19214 429 1 1 . 1 1 524 524 LEU CA C 524 58.643 58.643 58.776 -0.133 19214 430 1 1 . 1 1 524 524 LEU CB C 524 41.395 41.395 41.095 0.300 19214 431 1 1 . 1 1 524 524 LEU H H 524 8.407 8.407 8.624 -0.217 19214 432 1 1 . 1 1 525 525 ASN N N 525 115.617 115.617 116.770 -1.153 19214 433 1 1 . 1 1 525 525 ASN HA H 525 4.474 4.474 4.401 0.073 19214 434 1 1 . 1 1 525 525 ASN C C 525 176.493 176.493 176.980 -0.487 19214 435 1 1 . 1 1 525 525 ASN CA C 525 55.154 55.154 55.663 -0.509 19214 436 1 1 . 1 1 525 525 ASN CB C 525 38.056 38.056 37.643 0.413 19214 437 1 1 . 1 1 525 525 ASN H H 525 8.540 8.540 8.398 0.142 19214 438 1 1 . 1 1 526 526 GLN N N 526 116.828 116.828 116.299 0.529 19214 439 1 1 . 1 1 526 526 GLN HA H 526 4.004 4.004 4.358 -0.354 19214 440 1 1 . 1 1 526 526 GLN C C 526 175.549 175.549 177.058 -1.509 19214 441 1 1 . 1 1 526 526 GLN CA C 526 57.483 57.483 56.948 0.535 19214 442 1 1 . 1 1 526 526 GLN CB C 526 29.433 29.433 29.763 -0.330 19214 443 1 1 . 1 1 526 526 GLN H H 526 7.492 7.492 7.638 -0.146 19214 444 1 1 . 1 1 527 527 LEU N N 527 115.200 115.200 119.715 -4.515 19214 445 1 1 . 1 1 527 527 LEU HA H 527 4.064 4.064 4.393 -0.329 19214 446 1 1 . 1 1 527 527 LEU C C 527 178.808 178.808 177.873 0.935 19214 447 1 1 . 1 1 527 527 LEU CA C 527 55.460 55.460 55.935 -0.475 19214 448 1 1 . 1 1 527 527 LEU CB C 527 43.643 43.643 42.484 1.159 19214 449 1 1 . 1 1 527 527 LEU H H 527 6.803 6.803 8.042 -1.239 19214 450 1 1 . 1 1 528 528 ARG N N 528 121.174 121.174 120.285 0.889 19214 451 1 1 . 1 1 528 528 ARG HA H 528 4.230 4.230 4.398 -0.168 19214 452 1 1 . 1 1 528 528 ARG CA C 528 61.240 61.240 60.301 0.939 19214 453 1 1 . 1 1 528 528 ARG CB C 528 28.670 28.670 27.790 0.880 19214 454 1 1 . 1 1 528 528 ARG H H 528 8.763 8.763 8.606 0.157 19214 455 1 1 . 1 1 529 529 PRO HA H 529 4.397 4.397 4.267 0.130 19214 456 1 1 . 1 1 529 529 PRO C C 529 176.672 176.672 177.668 -0.996 19214 457 1 1 . 1 1 529 529 PRO CA C 529 65.693 65.693 65.237 0.456 19214 458 1 1 . 1 1 529 529 PRO CB C 529 30.983 30.983 31.199 -0.216 19214 459 1 1 . 1 1 530 530 LEU N N 530 112.952 112.952 115.166 -2.214 19214 460 1 1 . 1 1 530 530 LEU HA H 530 4.198 4.198 4.178 0.020 19214 461 1 1 . 1 1 530 530 LEU C C 530 176.746 176.746 176.708 0.038 19214 462 1 1 . 1 1 530 530 LEU CA C 530 53.564 53.564 55.172 -1.608 19214 463 1 1 . 1 1 530 530 LEU CB C 530 42.143 42.143 41.650 0.493 19214 464 1 1 . 1 1 530 530 LEU H H 530 6.762 6.762 7.996 -1.234 19214 465 1 1 . 1 1 531 531 LYS N N 531 114.491 114.491 113.790 0.701 19214 466 1 1 . 1 1 531 531 LYS HA H 531 3.921 3.921 3.984 -0.063 19214 467 1 1 . 1 1 531 531 LYS C C 531 173.427 173.427 175.642 -2.215 19214 468 1 1 . 1 1 531 531 LYS CA C 531 56.732 56.732 56.839 -0.107 19214 469 1 1 . 1 1 531 531 LYS CB C 531 28.329 28.329 29.815 -1.486 19214 470 1 1 . 1 1 531 531 LYS H H 531 8.319 8.319 7.909 0.410 19214 471 1 1 . 1 1 532 532 VAL N N 532 114.641 114.641 113.897 0.744 19214 472 1 1 . 1 1 532 532 VAL HA H 532 2.631 2.631 3.911 -1.280 19214 473 1 1 . 1 1 532 532 VAL C C 532 174.660 174.660 175.243 -0.583 19214 474 1 1 . 1 1 532 532 VAL CA C 532 65.644 65.644 62.946 2.698 19214 475 1 1 . 1 1 532 532 VAL CB C 532 32.120 32.120 30.797 1.323 19214 476 1 1 . 1 1 532 532 VAL H H 532 6.295 6.295 7.193 -0.898 19214 477 1 1 . 1 1 533 533 ARG N N 533 120.970 120.970 125.317 -4.347 19214 478 1 1 . 1 1 533 533 ARG HA H 533 4.473 4.473 4.373 0.100 19214 479 1 1 . 1 1 533 533 ARG C C 533 173.734 173.734 175.631 -1.897 19214 480 1 1 . 1 1 533 533 ARG CA C 533 55.062 55.062 56.945 -1.883 19214 481 1 1 . 1 1 533 533 ARG CB C 533 30.163 30.163 31.222 -1.059 19214 482 1 1 . 1 1 533 533 ARG H H 533 8.446 8.446 8.002 0.444 19214 483 1 1 . 1 1 534 534 ALA N N 534 123.443 123.443 119.208 4.235 19214 484 1 1 . 1 1 534 534 ALA HA H 534 4.842 4.842 4.799 0.043 19214 485 1 1 . 1 1 534 534 ALA C C 534 176.821 176.821 175.329 1.492 19214 486 1 1 . 1 1 534 534 ALA CA C 534 51.093 51.093 50.524 0.569 19214 487 1 1 . 1 1 534 534 ALA CB C 534 24.474 24.474 22.168 2.306 19214 488 1 1 . 1 1 534 534 ALA H H 534 8.477 8.477 7.454 1.023 19214 489 1 1 . 1 1 535 535 ASN N N 535 121.981 121.981 121.574 0.407 19214 490 1 1 . 1 1 535 535 ASN HA H 535 5.709 5.709 5.122 0.587 19214 491 1 1 . 1 1 535 535 ASN C C 535 171.453 171.453 172.926 -1.473 19214 492 1 1 . 1 1 535 535 ASN CA C 535 52.188 52.188 52.813 -0.625 19214 493 1 1 . 1 1 535 535 ASN CB C 535 44.081 44.081 42.551 1.530 19214 494 1 1 . 1 1 535 535 ASN H H 535 8.910 8.910 8.637 0.273 19214 495 1 1 . 1 1 536 536 LEU N N 536 132.341 132.341 126.837 5.504 19214 496 1 1 . 1 1 536 536 LEU HA H 536 5.104 5.104 4.254 0.850 19214 497 1 1 . 1 1 536 536 LEU C C 536 173.245 173.245 173.730 -0.485 19214 498 1 1 . 1 1 536 536 LEU CA C 536 53.812 53.812 53.656 0.157 19214 499 1 1 . 1 1 536 536 LEU CB C 536 41.977 41.977 44.662 -2.685 19214 500 1 1 . 1 1 536 536 LEU H H 536 9.242 9.242 7.584 1.658 19214 501 1 1 . 1 1 537 537 VAL N N 537 126.829 126.829 126.198 0.631 19214 502 1 1 . 1 1 537 537 VAL HA H 537 4.580 4.580 4.982 -0.402 19214 503 1 1 . 1 1 537 537 VAL C C 537 174.764 174.764 174.428 0.336 19214 504 1 1 . 1 1 537 537 VAL CA C 537 61.450 61.450 60.227 1.223 19214 505 1 1 . 1 1 537 537 VAL CB C 537 35.260 35.260 36.094 -0.834 19214 506 1 1 . 1 1 537 537 VAL H H 537 9.258 9.258 8.273 0.985 19214 507 1 1 . 1 1 538 538 VAL N N 538 120.280 120.280 118.431 1.849 19214 508 1 1 . 1 1 538 538 VAL HA H 538 5.240 5.240 4.763 0.477 19214 509 1 1 . 1 1 538 538 VAL CA C 538 56.785 56.785 57.903 -1.118 19214 510 1 1 . 1 1 538 538 VAL CB C 538 33.470 33.470 34.195 -0.725 19214 511 1 1 . 1 1 538 538 VAL H H 538 8.809 8.809 8.050 0.759 19214 512 1 1 . 1 1 539 539 PRO HA H 539 4.756 4.756 4.482 0.274 19214 513 1 1 . 1 1 539 539 PRO C C 539 175.826 175.826 175.591 0.235 19214 514 1 1 . 1 1 539 539 PRO CA C 539 62.754 62.754 62.739 0.015 19214 515 1 1 . 1 1 539 539 PRO CB C 539 34.400 34.400 32.449 1.951 19214 516 1 1 . 1 1 540 540 MET N N 540 118.724 118.724 124.107 -5.383 19214 517 1 1 . 1 1 540 540 MET HA H 540 4.397 4.397 4.822 -0.425 19214 518 1 1 . 1 1 540 540 MET C C 540 173.839 173.839 173.913 -0.074 19214 519 1 1 . 1 1 540 540 MET CA C 540 55.758 55.758 54.984 0.774 19214 520 1 1 . 1 1 540 540 MET CB C 540 34.217 34.217 34.865 -0.648 19214 521 1 1 . 1 1 540 540 MET H H 540 8.360 8.360 7.880 0.480 19214 522 1 1 . 1 1 541 541 VAL N N 541 125.320 125.320 120.388 4.932 19214 523 1 1 . 1 1 541 541 VAL HA H 541 5.100 5.100 5.272 -0.172 19214 524 1 1 . 1 1 541 541 VAL C C 541 174.569 174.569 174.018 0.551 19214 525 1 1 . 1 1 541 541 VAL CA C 541 60.526 60.526 59.289 1.237 19214 526 1 1 . 1 1 541 541 VAL CB C 541 34.461 34.461 35.204 -0.743 19214 527 1 1 . 1 1 541 541 VAL H H 541 8.383 8.383 8.101 0.282 19214 528 1 1 . 1 1 542 542 ILE N N 542 125.677 125.677 122.758 2.919 19214 529 1 1 . 1 1 542 542 ILE HA H 542 4.256 4.256 4.275 -0.019 19214 530 1 1 . 1 1 542 542 ILE C C 542 175.815 175.815 175.307 0.508 19214 531 1 1 . 1 1 542 542 ILE CA C 542 60.441 60.441 60.178 0.263 19214 532 1 1 . 1 1 542 542 ILE CB C 542 41.219 41.219 40.900 0.319 19214 533 1 1 . 1 1 542 542 ILE H H 542 8.470 8.470 8.984 -0.514 19214 534 1 1 . 1 1 543 543 ASP N N 543 130.204 130.204 125.269 4.935 19214 535 1 1 . 1 1 543 543 ASP HA H 543 4.150 4.150 4.367 -0.217 19214 536 1 1 . 1 1 543 543 ASP CA C 543 56.014 56.014 55.372 0.642 19214 537 1 1 . 1 1 543 543 ASP CB C 543 39.515 39.515 39.834 -0.319 19214 538 1 1 . 1 1 543 543 ASP H H 543 9.650 9.650 8.898 0.752 19214 539 1 1 . 1 1 544 544 ASP HA H 544 4.180 4.180 4.253 -0.073 19214 540 1 1 . 1 1 544 544 ASP C C 544 174.473 174.473 174.470 0.003 19214 541 1 1 . 1 1 544 544 ASP CA C 544 55.500 55.500 55.500 0.000 19214 542 1 1 . 1 1 544 544 ASP CB C 544 40.941 40.941 39.514 1.427 19214 543 1 1 . 1 1 545 545 GLN N N 545 117.251 117.251 115.491 1.760 19214 544 1 1 . 1 1 545 545 GLN CA C 545 53.533 53.533 54.279 -0.746 19214 545 1 1 . 1 1 545 545 GLN H H 545 7.868 7.868 7.312 0.556 19214 546 1 1 . 1 1 546 546 LEU C C 546 174.500 174.500 175.336 -0.836 19214 547 1 1 . 1 1 547 547 PHE N N 547 130.200 130.200 128.253 1.947 19214 548 1 1 . 1 1 547 547 PHE HA H 547 4.650 4.650 4.688 -0.038 19214 549 1 1 . 1 1 547 547 PHE C C 547 176.033 176.033 174.638 1.395 19214 550 1 1 . 1 1 547 547 PHE CA C 547 59.700 59.700 58.317 1.383 19214 551 1 1 . 1 1 547 547 PHE CB C 547 40.800 40.800 42.170 -1.370 19214 552 1 1 . 1 1 547 547 PHE H H 547 9.120 9.120 8.240 0.880 19214 553 1 1 . 1 1 548 548 GLY N N 548 102.705 102.705 104.628 -1.923 19214 554 1 1 . 1 1 548 548 GLY C C 548 169.494 169.494 171.452 -1.958 19214 555 1 1 . 1 1 548 548 GLY CA C 548 46.008 46.008 45.471 0.537 19214 556 1 1 . 1 1 548 548 GLY H H 548 7.939 7.939 7.534 0.405 19214 557 1 1 . 1 1 549 549 LEU N N 549 118.437 118.437 118.283 0.154 19214 558 1 1 . 1 1 549 549 LEU HA H 549 4.870 4.870 4.809 0.061 19214 559 1 1 . 1 1 549 549 LEU C C 549 173.746 173.746 175.144 -1.398 19214 560 1 1 . 1 1 549 549 LEU CA C 549 53.108 53.108 54.781 -1.673 19214 561 1 1 . 1 1 549 549 LEU CB C 549 44.752 44.752 46.800 -2.048 19214 562 1 1 . 1 1 549 549 LEU H H 549 9.279 9.279 7.769 1.510 19214 563 1 1 . 1 1 550 550 LEU N N 550 127.359 127.359 122.807 4.552 19214 564 1 1 . 1 1 550 550 LEU HA H 550 4.881 4.881 4.698 0.183 19214 565 1 1 . 1 1 550 550 LEU C C 550 174.669 174.669 176.071 -1.402 19214 566 1 1 . 1 1 550 550 LEU CA C 550 54.216 54.216 54.690 -0.474 19214 567 1 1 . 1 1 550 550 LEU CB C 550 42.954 42.954 42.595 0.359 19214 568 1 1 . 1 1 550 550 LEU H H 550 9.068 9.068 8.046 1.022 19214 569 1 1 . 1 1 551 551 ILE N N 551 126.177 126.177 122.352 3.825 19214 570 1 1 . 1 1 551 551 ILE HA H 551 5.234 5.234 5.196 0.038 19214 571 1 1 . 1 1 551 551 ILE C C 551 173.709 173.709 174.393 -0.684 19214 572 1 1 . 1 1 551 551 ILE CA C 551 59.720 59.720 59.243 0.477 19214 573 1 1 . 1 1 551 551 ILE CB C 551 42.210 42.210 41.247 0.963 19214 574 1 1 . 1 1 551 551 ILE H H 551 8.584 8.584 7.966 0.618 19214 575 1 1 . 1 1 552 552 ALA N N 552 129.345 129.345 127.907 1.438 19214 576 1 1 . 1 1 552 552 ALA HA H 552 5.194 5.194 4.661 0.533 19214 577 1 1 . 1 1 552 552 ALA C C 552 175.549 175.549 175.376 0.173 19214 578 1 1 . 1 1 552 552 ALA CA C 552 49.380 49.380 50.465 -1.085 19214 579 1 1 . 1 1 552 552 ALA CB C 552 23.712 23.712 20.951 2.761 19214 580 1 1 . 1 1 552 552 ALA H H 552 9.709 9.709 7.983 1.726 19214 581 1 1 . 1 1 553 553 HIS N N 553 115.303 115.303 122.089 -6.786 19214 582 1 1 . 1 1 553 553 HIS HA H 553 6.162 6.162 5.195 0.967 19214 583 1 1 . 1 1 553 553 HIS C C 553 177.121 177.121 174.439 2.682 19214 584 1 1 . 1 1 553 553 HIS CA C 553 51.965 51.965 54.386 -2.421 19214 585 1 1 . 1 1 553 553 HIS CB C 553 36.593 36.593 32.090 4.503 19214 586 1 1 . 1 1 553 553 HIS H H 553 9.151 9.151 8.155 0.996 19214 587 1 1 . 1 1 554 554 GLN N N 554 124.107 124.107 124.783 -0.676 19214 588 1 1 . 1 1 554 554 GLN HA H 554 4.540 4.540 4.377 0.163 19214 589 1 1 . 1 1 554 554 GLN C C 554 174.320 174.320 174.881 -0.561 19214 590 1 1 . 1 1 554 554 GLN CA C 554 55.976 55.976 55.215 0.761 19214 591 1 1 . 1 1 554 554 GLN CB C 554 30.828 30.828 29.608 1.220 19214 592 1 1 . 1 1 554 554 GLN H H 554 8.647 8.647 9.015 -0.368 19214 593 1 1 . 1 1 555 555 ALA N N 555 136.582 136.582 130.400 6.182 19214 594 1 1 . 1 1 555 555 ALA HA H 555 4.617 4.617 4.581 0.036 19214 595 1 1 . 1 1 555 555 ALA C C 555 177.422 177.422 177.223 0.199 19214 596 1 1 . 1 1 555 555 ALA CA C 555 52.406 52.406 52.531 -0.125 19214 597 1 1 . 1 1 555 555 ALA CB C 555 19.553 19.553 18.134 1.419 19214 598 1 1 . 1 1 555 555 ALA H H 555 11.550 11.550 8.672 2.878 19214 599 1 1 . 1 1 556 556 SER N N 556 111.945 111.945 112.638 -0.693 19214 600 1 1 . 1 1 556 556 SER HA H 556 4.044 4.044 4.538 -0.494 19214 601 1 1 . 1 1 556 556 SER C C 556 174.912 174.912 173.530 1.382 19214 602 1 1 . 1 1 556 556 SER CA C 556 61.145 61.145 59.296 1.849 19214 603 1 1 . 1 1 556 556 SER CB C 556 62.905 62.905 64.346 -1.441 19214 604 1 1 . 1 1 556 556 SER H H 556 8.083 8.083 8.021 0.062 19214 605 1 1 . 1 1 557 557 GLU N N 557 117.238 117.238 116.281 0.957 19214 606 1 1 . 1 1 557 557 GLU CA C 557 53.900 53.900 54.547 -0.647 19214 607 1 1 . 1 1 557 557 GLU CB C 557 30.171 30.171 30.005 0.166 19214 608 1 1 . 1 1 557 557 GLU H H 557 7.318 7.318 7.444 -0.126 19214 609 1 1 . 1 1 558 558 PRO HA H 558 4.194 4.194 4.418 -0.224 19214 610 1 1 . 1 1 558 558 PRO C C 558 174.855 174.855 175.592 -0.737 19214 611 1 1 . 1 1 558 558 PRO CA C 558 62.915 62.915 63.028 -0.113 19214 612 1 1 . 1 1 558 558 PRO CB C 558 32.862 32.862 32.200 0.662 19214 613 1 1 . 1 1 559 559 ARG N N 559 121.957 121.957 122.000 -0.043 19214 614 1 1 . 1 1 559 559 ARG HA H 559 3.945 3.945 4.348 -0.403 19214 615 1 1 . 1 1 559 559 ARG C C 559 171.134 171.134 174.652 -3.518 19214 616 1 1 . 1 1 559 559 ARG CA C 559 55.538 55.538 53.958 1.580 19214 617 1 1 . 1 1 559 559 ARG CB C 559 33.169 33.169 31.485 1.684 19214 618 1 1 . 1 1 559 559 ARG H H 559 7.836 7.836 7.988 -0.152 19214 619 1 1 . 1 1 560 560 GLN N N 560 126.067 126.067 122.784 3.283 19214 620 1 1 . 1 1 560 560 GLN HA H 560 4.372 4.372 3.631 0.741 19214 621 1 1 . 1 1 560 560 GLN C C 560 175.848 175.848 175.064 0.784 19214 622 1 1 . 1 1 560 560 GLN CA C 560 53.622 53.622 54.537 -0.915 19214 623 1 1 . 1 1 560 560 GLN CB C 560 27.811 27.811 28.590 -0.779 19214 624 1 1 . 1 1 560 560 GLN H H 560 8.332 8.332 8.233 0.099 19214 625 1 1 . 1 1 561 561 TRP N N 561 133.373 133.373 126.577 6.796 19214 626 1 1 . 1 1 561 561 TRP HA H 561 4.522 4.522 4.487 0.035 19214 627 1 1 . 1 1 561 561 TRP C C 561 176.141 176.141 176.457 -0.316 19214 628 1 1 . 1 1 561 561 TRP CA C 561 56.337 56.337 56.843 -0.506 19214 629 1 1 . 1 1 561 561 TRP CB C 561 28.840 28.840 29.595 -0.755 19214 630 1 1 . 1 1 561 561 TRP H H 561 7.982 7.982 7.257 0.725 19214 631 1 1 . 1 1 562 562 GLN N N 562 124.678 124.678 121.251 3.427 19214 632 1 1 . 1 1 562 562 GLN HA H 562 4.454 4.454 4.550 -0.096 19214 633 1 1 . 1 1 562 562 GLN C C 562 177.088 177.088 177.069 0.019 19214 634 1 1 . 1 1 562 562 GLN CA C 562 54.676 54.676 54.561 0.115 19214 635 1 1 . 1 1 562 562 GLN CB C 562 30.526 30.526 30.521 0.005 19214 636 1 1 . 1 1 562 562 GLN H H 562 9.763 9.763 8.499 1.264 19214 637 1 1 . 1 1 563 563 GLU N N 563 124.545 124.545 125.446 -0.901 19214 638 1 1 . 1 1 563 563 GLU HA H 563 3.907 3.907 3.989 -0.082 19214 639 1 1 . 1 1 563 563 GLU C C 563 178.742 178.742 178.570 0.172 19214 640 1 1 . 1 1 563 563 GLU CA C 563 61.275 61.275 60.290 0.985 19214 641 1 1 . 1 1 563 563 GLU CB C 563 29.149 29.149 29.325 -0.176 19214 642 1 1 . 1 1 563 563 GLU H H 563 9.210 9.210 9.025 0.185 19214 643 1 1 . 1 1 564 564 ILE N N 564 115.275 115.275 119.250 -3.975 19214 644 1 1 . 1 1 564 564 ILE HA H 564 4.208 4.208 4.029 0.179 19214 645 1 1 . 1 1 564 564 ILE C C 564 177.462 177.462 178.136 -0.674 19214 646 1 1 . 1 1 564 564 ILE CA C 564 63.380 63.380 63.629 -0.249 19214 647 1 1 . 1 1 564 564 ILE CB C 564 37.828 37.828 36.544 1.284 19214 648 1 1 . 1 1 564 564 ILE H H 564 8.496 8.496 8.107 0.389 19214 649 1 1 . 1 1 565 565 GLU N N 565 121.174 121.174 120.700 0.474 19214 650 1 1 . 1 1 565 565 GLU HA H 565 4.009 4.009 4.093 -0.084 19214 651 1 1 . 1 1 565 565 GLU C C 565 178.217 178.217 179.529 -1.312 19214 652 1 1 . 1 1 565 565 GLU CA C 565 58.713 58.713 59.842 -1.129 19214 653 1 1 . 1 1 565 565 GLU CB C 565 29.685 29.685 29.497 0.188 19214 654 1 1 . 1 1 565 565 GLU H H 565 6.668 6.668 8.365 -1.697 19214 655 1 1 . 1 1 566 566 ILE N N 566 119.747 119.747 120.614 -0.867 19214 656 1 1 . 1 1 566 566 ILE HA H 566 3.387 3.387 3.719 -0.332 19214 657 1 1 . 1 1 566 566 ILE C C 566 178.911 178.911 177.790 1.121 19214 658 1 1 . 1 1 566 566 ILE CA C 566 66.484 66.484 65.810 0.674 19214 659 1 1 . 1 1 566 566 ILE CB C 566 38.410 38.410 37.912 0.498 19214 660 1 1 . 1 1 566 566 ILE H H 566 8.165 8.165 8.840 -0.675 19214 661 1 1 . 1 1 567 567 ASP N N 567 120.827 120.827 120.610 0.217 19214 662 1 1 . 1 1 567 567 ASP HA H 567 4.373 4.373 4.381 -0.008 19214 663 1 1 . 1 1 567 567 ASP C C 567 179.462 179.462 179.008 0.454 19214 664 1 1 . 1 1 567 567 ASP CA C 567 57.949 57.949 57.106 0.843 19214 665 1 1 . 1 1 567 567 ASP CB C 567 40.516 40.516 40.702 -0.186 19214 666 1 1 . 1 1 567 567 ASP H H 567 8.574 8.574 7.778 0.796 19214 667 1 1 . 1 1 568 568 GLN N N 568 118.625 118.625 118.881 -0.256 19214 668 1 1 . 1 1 568 568 GLN HA H 568 4.140 4.140 4.057 0.083 19214 669 1 1 . 1 1 568 568 GLN C C 568 179.204 179.204 178.708 0.496 19214 670 1 1 . 1 1 568 568 GLN CA C 568 59.294 59.294 58.738 0.556 19214 671 1 1 . 1 1 568 568 GLN CB C 568 29.558 29.558 28.932 0.626 19214 672 1 1 . 1 1 568 568 GLN H H 568 8.321 8.321 8.092 0.229 19214 673 1 1 . 1 1 569 569 PHE N N 569 124.764 124.764 120.760 4.004 19214 674 1 1 . 1 1 569 569 PHE HA H 569 4.310 4.310 4.186 0.124 19214 675 1 1 . 1 1 569 569 PHE C C 569 177.387 177.387 177.080 0.307 19214 676 1 1 . 1 1 569 569 PHE CA C 569 61.106 61.106 60.446 0.660 19214 677 1 1 . 1 1 569 569 PHE CB C 569 40.452 40.452 39.225 1.227 19214 678 1 1 . 1 1 569 569 PHE H H 569 8.999 8.999 8.386 0.613 19214 679 1 1 . 1 1 570 570 SER N N 570 113.882 113.882 114.891 -1.009 19214 680 1 1 . 1 1 570 570 SER HA H 570 4.145 4.145 3.950 0.195 19214 681 1 1 . 1 1 570 570 SER C C 570 177.181 177.181 176.904 0.277 19214 682 1 1 . 1 1 570 570 SER CA C 570 61.933 61.933 61.845 0.088 19214 683 1 1 . 1 1 570 570 SER CB C 570 63.049 63.049 62.859 0.189 19214 684 1 1 . 1 1 570 570 SER H H 570 8.979 8.979 8.670 0.309 19214 685 1 1 . 1 1 571 571 GLU N N 571 123.710 123.710 122.088 1.622 19214 686 1 1 . 1 1 571 571 GLU HA H 571 4.146 4.146 4.036 0.110 19214 687 1 1 . 1 1 571 571 GLU C C 571 179.006 179.006 179.019 -0.013 19214 688 1 1 . 1 1 571 571 GLU CA C 571 59.437 59.437 58.903 0.534 19214 689 1 1 . 1 1 571 571 GLU CB C 571 29.269 29.269 29.304 -0.035 19214 690 1 1 . 1 1 571 571 GLU H H 571 8.282 8.282 7.858 0.424 19214 691 1 1 . 1 1 572 572 LEU N N 572 123.115 123.115 121.313 1.802 19214 692 1 1 . 1 1 572 572 LEU HA H 572 4.030 4.030 3.954 0.076 19214 693 1 1 . 1 1 572 572 LEU C C 572 178.204 178.204 178.239 -0.035 19214 694 1 1 . 1 1 572 572 LEU CA C 572 58.186 58.186 57.912 0.274 19214 695 1 1 . 1 1 572 572 LEU CB C 572 41.303 41.303 41.567 -0.264 19214 696 1 1 . 1 1 572 572 LEU H H 572 7.722 7.722 7.597 0.125 19214 697 1 1 . 1 1 573 573 ALA N N 573 120.384 120.384 120.276 0.108 19214 698 1 1 . 1 1 573 573 ALA HA H 573 3.703 3.703 3.911 -0.208 19214 699 1 1 . 1 1 573 573 ALA C C 573 180.276 180.276 179.571 0.705 19214 700 1 1 . 1 1 573 573 ALA CA C 573 55.577 55.577 54.742 0.835 19214 701 1 1 . 1 1 573 573 ALA CB C 573 19.090 19.090 18.061 1.029 19214 702 1 1 . 1 1 573 573 ALA H H 573 7.701 7.701 7.459 0.242 19214 703 1 1 . 1 1 574 574 SER N N 574 116.150 116.150 113.821 2.329 19214 704 1 1 . 1 1 574 574 SER HA H 574 4.373 4.373 4.134 0.239 19214 705 1 1 . 1 1 574 574 SER C C 574 177.259 177.259 176.505 0.754 19214 706 1 1 . 1 1 574 574 SER CA C 574 61.851 61.851 61.391 0.460 19214 707 1 1 . 1 1 574 574 SER CB C 574 62.460 62.460 62.492 -0.032 19214 708 1 1 . 1 1 574 574 SER H H 574 8.679 8.679 8.053 0.626 19214 709 1 1 . 1 1 575 575 THR N N 575 120.316 120.316 117.621 2.695 19214 710 1 1 . 1 1 575 575 THR HA H 575 3.985 3.985 3.990 -0.005 19214 711 1 1 . 1 1 575 575 THR C C 575 177.023 177.023 176.526 0.497 19214 712 1 1 . 1 1 575 575 THR CA C 575 66.859 66.859 66.719 0.140 19214 713 1 1 . 1 1 575 575 THR CB C 575 68.370 68.370 68.565 -0.195 19214 714 1 1 . 1 1 575 575 THR H H 575 8.685 8.685 7.954 0.731 19214 715 1 1 . 1 1 576 576 GLY N N 576 107.996 107.996 108.909 -0.913 19214 716 1 1 . 1 1 576 576 GLY C C 576 174.096 174.096 175.836 -1.740 19214 717 1 1 . 1 1 576 576 GLY CA C 576 47.730 47.730 47.285 0.445 19214 718 1 1 . 1 1 576 576 GLY H H 576 8.565 8.565 7.882 0.683 19214 719 1 1 . 1 1 577 577 SER N N 577 118.026 118.026 118.067 -0.041 19214 720 1 1 . 1 1 577 577 SER HA H 577 3.840 3.840 3.967 -0.127 19214 721 1 1 . 1 1 577 577 SER CA C 577 63.146 63.146 62.298 0.848 19214 722 1 1 . 1 1 577 577 SER H H 577 8.425 8.425 7.354 1.071 19214 723 1 1 . 1 1 578 578 LEU HA H 578 3.700 3.700 3.936 -0.236 19214 724 1 1 . 1 1 578 578 LEU C C 578 179.316 179.316 179.155 0.161 19214 725 1 1 . 1 1 578 578 LEU CA C 578 57.995 57.995 57.673 0.322 19214 726 1 1 . 1 1 578 578 LEU CB C 578 41.739 41.739 41.500 0.239 19214 727 1 1 . 1 1 579 579 VAL N N 579 122.330 122.330 118.432 3.898 19214 728 1 1 . 1 1 579 579 VAL CB C 579 31.123 31.123 31.626 -0.503 19214 729 1 1 . 1 1 579 579 VAL H H 579 8.773 8.773 7.218 1.556 19214 730 1 1 . 1 1 584 584 HIS HA H 584 4.332 4.332 4.244 0.088 19214 731 1 1 . 1 1 584 584 HIS C C 584 177.320 177.320 177.634 -0.314 19214 732 1 1 . 1 1 584 584 HIS CA C 584 59.034 59.034 59.852 -0.819 19214 733 1 1 . 1 1 584 584 HIS CB C 584 29.981 29.981 29.756 0.225 19214 734 1 1 . 1 1 585 585 PHE N N 585 118.557 118.557 119.626 -1.069 19214 735 1 1 . 1 1 585 585 PHE HA H 585 4.316 4.316 4.199 0.117 19214 736 1 1 . 1 1 585 585 PHE C C 585 178.195 178.195 176.752 1.443 19214 737 1 1 . 1 1 585 585 PHE CA C 585 60.326 60.326 61.186 -0.860 19214 738 1 1 . 1 1 585 585 PHE CB C 585 38.773 38.773 39.458 -0.685 19214 739 1 1 . 1 1 585 585 PHE H H 585 8.065 8.065 7.589 0.476 19214 740 1 1 . 1 1 586 586 LEU N N 586 121.964 121.964 120.121 1.843 19214 741 1 1 . 1 1 586 586 LEU HA H 586 4.060 4.060 3.755 0.305 19214 742 1 1 . 1 1 586 586 LEU C C 586 178.863 178.863 178.988 -0.125 19214 743 1 1 . 1 1 586 586 LEU CA C 586 57.423 57.423 58.547 -1.124 19214 744 1 1 . 1 1 586 586 LEU CB C 586 42.042 42.042 41.636 0.406 19214 745 1 1 . 1 1 586 586 LEU H H 586 8.153 8.153 8.743 -0.590 19214 746 1 1 . 1 1 587 587 GLU N N 587 119.163 119.163 118.213 0.950 19214 747 1 1 . 1 1 587 587 GLU HA H 587 4.016 4.016 3.867 0.149 19214 748 1 1 . 1 1 587 587 GLU C C 587 178.330 178.330 179.270 -0.940 19214 749 1 1 . 1 1 587 587 GLU CA C 587 58.475 58.475 59.556 -1.081 19214 750 1 1 . 1 1 587 587 GLU CB C 587 29.825 29.825 29.254 0.571 19214 751 1 1 . 1 1 587 587 GLU H H 587 8.234 8.234 8.861 -0.627 19214 752 1 1 . 1 1 588 588 GLN N N 588 118.390 118.390 118.410 -0.020 19214 753 1 1 . 1 1 588 588 GLN HA H 588 4.136 4.136 4.045 0.091 19214 754 1 1 . 1 1 588 588 GLN C C 588 177.452 177.452 178.394 -0.942 19214 755 1 1 . 1 1 588 588 GLN CA C 588 57.188 57.188 58.158 -0.970 19214 756 1 1 . 1 1 588 588 GLN CB C 588 28.932 28.932 28.305 0.627 19214 757 1 1 . 1 1 588 588 GLN H H 588 8.003 8.003 7.482 0.521 19214 758 1 1 . 1 1 589 589 THR N N 589 115.070 115.070 117.868 -2.798 19214 759 1 1 . 1 1 589 589 THR HA H 589 4.136 4.136 3.683 0.453 19214 760 1 1 . 1 1 589 589 THR C C 589 175.620 175.620 176.626 -1.006 19214 761 1 1 . 1 1 589 589 THR CA C 589 63.840 63.840 66.347 -2.507 19214 762 1 1 . 1 1 589 589 THR CB C 589 69.380 69.380 68.286 1.094 19214 763 1 1 . 1 1 589 589 THR H H 589 7.957 7.957 8.072 -0.115 19214 764 1 1 . 1 1 590 590 ILE N N 590 122.655 122.655 120.567 2.088 19214 765 1 1 . 1 1 590 590 ILE HA H 590 3.926 3.926 3.644 0.282 19214 766 1 1 . 1 1 590 590 ILE C C 590 176.914 176.914 178.059 -1.145 19214 767 1 1 . 1 1 590 590 ILE CA C 590 62.663 62.663 64.890 -2.227 19214 768 1 1 . 1 1 590 590 ILE CB C 590 38.222 38.222 37.664 0.558 19214 769 1 1 . 1 1 590 590 ILE H H 590 7.985 7.985 8.115 -0.130 19214 770 1 1 . 1 1 591 591 ALA N N 591 125.105 125.105 121.930 3.175 19214 771 1 1 . 1 1 591 591 ALA HA H 591 4.181 4.181 4.029 0.152 19214 772 1 1 . 1 1 591 591 ALA C C 591 178.466 178.466 178.947 -0.481 19214 773 1 1 . 1 1 591 591 ALA CA C 591 53.502 53.502 54.738 -1.236 19214 774 1 1 . 1 1 591 591 ALA CB C 591 18.788 18.788 18.094 0.694 19214 775 1 1 . 1 1 591 591 ALA H H 591 8.086 8.086 7.651 0.435 19214 776 1 1 . 1 1 592 592 SER N N 592 113.591 113.591 112.530 1.061 19214 777 1 1 . 1 1 592 592 SER HA H 592 4.298 4.298 4.268 0.030 19214 778 1 1 . 1 1 592 592 SER C C 592 174.886 174.886 175.163 -0.277 19214 779 1 1 . 1 1 592 592 SER CA C 592 58.939 58.939 58.705 0.234 19214 780 1 1 . 1 1 592 592 SER CB C 592 63.738 63.738 63.584 0.153 19214 781 1 1 . 1 1 592 592 SER H H 592 7.957 7.957 7.586 0.371 19214 782 1 2 . 1 1 431 431 ALA HA H 431 4.315 4.315 4.266 0.049 19214 783 1 2 . 1 1 431 431 ALA C C 431 177.643 177.643 178.447 -0.804 19214 784 1 2 . 1 1 431 431 ALA CA C 431 52.380 52.380 52.067 0.313 19214 785 1 2 . 1 1 431 431 ALA CB C 431 19.190 19.190 19.416 -0.226 19214 786 1 2 . 1 1 432 432 VAL N N 432 120.312 120.312 119.423 0.889 19214 787 1 2 . 1 1 432 432 VAL HA H 432 4.019 4.019 4.164 -0.145 19214 788 1 2 . 1 1 432 432 VAL C C 432 175.763 175.763 177.439 -1.676 19214 789 1 2 . 1 1 432 432 VAL CA C 432 62.234 62.234 63.758 -1.524 19214 790 1 2 . 1 1 432 432 VAL CB C 432 33.009 33.009 31.937 1.072 19214 791 1 2 . 1 1 432 432 VAL H H 432 8.178 8.178 8.329 -0.151 19214 792 1 2 . 1 1 433 433 GLN N N 433 124.379 124.379 119.712 4.667 19214 793 1 2 . 1 1 433 433 GLN CB C 433 29.519 29.519 28.346 1.173 19214 794 1 2 . 1 1 433 433 GLN H H 433 8.502 8.502 8.582 -0.080 19214 795 1 2 . 1 1 435 435 SER HA H 435 4.069 4.069 4.163 -0.094 19214 796 1 2 . 1 1 435 435 SER C C 435 178.994 178.994 175.476 3.518 19214 797 1 2 . 1 1 435 435 SER CA C 435 60.511 60.511 60.968 -0.457 19214 798 1 2 . 1 1 435 435 SER CB C 435 62.860 62.860 63.070 -0.210 19214 799 1 2 . 1 1 436 436 GLU N N 436 119.753 119.753 119.265 0.488 19214 800 1 2 . 1 1 436 436 GLU HA H 436 4.293 4.293 4.294 -0.001 19214 801 1 2 . 1 1 436 436 GLU C C 436 176.644 176.644 176.207 0.437 19214 802 1 2 . 1 1 436 436 GLU CA C 436 56.016 56.016 56.478 -0.462 19214 803 1 2 . 1 1 436 436 GLU CB C 436 30.335 30.335 29.944 0.391 19214 804 1 2 . 1 1 436 436 GLU H H 436 7.805 7.805 7.604 0.201 19214 805 1 2 . 1 1 437 437 LEU N N 437 120.618 120.618 121.040 -0.422 19214 806 1 2 . 1 1 437 437 LEU HA H 437 4.150 4.150 4.516 -0.366 19214 807 1 2 . 1 1 437 437 LEU CA C 437 55.497 55.497 54.315 1.183 19214 808 1 2 . 1 1 437 437 LEU CB C 437 43.460 43.460 42.024 1.436 19214 809 1 2 . 1 1 437 437 LEU H H 437 7.352 7.352 7.545 -0.193 19214 810 1 2 . 1 1 440 440 ARG HA H 440 3.240 3.240 4.054 -0.814 19214 811 1 2 . 1 1 440 440 ARG C C 440 175.895 175.895 178.084 -2.189 19214 812 1 2 . 1 1 440 440 ARG CA C 440 60.040 60.040 59.251 0.789 19214 813 1 2 . 1 1 440 440 ARG CB C 440 30.218 30.218 30.488 -0.271 19214 814 1 2 . 1 1 441 441 GLN N N 441 117.761 117.761 116.599 1.162 19214 815 1 2 . 1 1 441 441 GLN HA H 441 3.894 3.894 4.301 -0.407 19214 816 1 2 . 1 1 441 441 GLN C C 441 177.959 177.959 178.015 -0.056 19214 817 1 2 . 1 1 441 441 GLN CA C 441 58.904 58.904 58.800 0.103 19214 818 1 2 . 1 1 441 441 GLN CB C 441 27.387 27.387 28.128 -0.742 19214 819 1 2 . 1 1 441 441 GLN H H 441 8.075 8.075 8.775 -0.700 19214 820 1 2 . 1 1 442 442 ALA N N 442 120.325 120.325 123.556 -3.231 19214 821 1 2 . 1 1 442 442 ALA HA H 442 4.142 4.142 4.070 0.072 19214 822 1 2 . 1 1 442 442 ALA C C 442 181.535 181.535 179.647 1.888 19214 823 1 2 . 1 1 442 442 ALA CA C 442 54.843 54.843 55.207 -0.364 19214 824 1 2 . 1 1 442 442 ALA CB C 442 18.746 18.746 17.933 0.813 19214 825 1 2 . 1 1 442 442 ALA H H 442 7.859 7.859 7.814 0.045 19214 826 1 2 . 1 1 443 443 ILE N N 443 120.878 120.878 114.517 6.361 19214 827 1 2 . 1 1 443 443 ILE HA H 443 3.412 3.412 3.629 -0.217 19214 828 1 2 . 1 1 443 443 ILE C C 443 177.554 177.554 177.572 -0.018 19214 829 1 2 . 1 1 443 443 ILE CA C 443 65.839 65.839 64.380 1.459 19214 830 1 2 . 1 1 443 443 ILE CB C 443 37.236 37.236 37.180 0.056 19214 831 1 2 . 1 1 443 443 ILE H H 443 7.668 7.668 7.346 0.322 19214 832 1 2 . 1 1 444 444 PHE N N 444 119.157 119.157 120.489 -1.332 19214 833 1 2 . 1 1 444 444 PHE HA H 444 4.364 4.364 4.204 0.160 19214 834 1 2 . 1 1 444 444 PHE C C 444 178.054 178.054 177.889 0.165 19214 835 1 2 . 1 1 444 444 PHE CA C 444 58.952 58.952 61.455 -2.503 19214 836 1 2 . 1 1 444 444 PHE CB C 444 37.948 37.948 38.877 -0.929 19214 837 1 2 . 1 1 444 444 PHE H H 444 8.128 8.128 7.324 0.804 19214 838 1 2 . 1 1 445 445 GLU N N 445 116.382 116.382 118.309 -1.927 19214 839 1 2 . 1 1 445 445 GLU HA H 445 3.985 3.985 4.112 -0.127 19214 840 1 2 . 1 1 445 445 GLU C C 445 179.563 179.563 179.675 -0.112 19214 841 1 2 . 1 1 445 445 GLU CA C 445 59.156 59.156 59.616 -0.460 19214 842 1 2 . 1 1 445 445 GLU CB C 445 29.177 29.177 29.142 0.035 19214 843 1 2 . 1 1 445 445 GLU H H 445 8.711 8.711 9.091 -0.380 19214 844 1 2 . 1 1 446 446 THR N N 446 118.118 118.118 116.623 1.495 19214 845 1 2 . 1 1 446 446 THR HA H 446 4.066 4.066 4.129 -0.063 19214 846 1 2 . 1 1 446 446 THR C C 446 175.861 175.861 176.493 -0.632 19214 847 1 2 . 1 1 446 446 THR CA C 446 67.041 67.041 66.439 0.602 19214 848 1 2 . 1 1 446 446 THR CB C 446 68.218 68.218 68.718 -0.500 19214 849 1 2 . 1 1 446 446 THR H H 446 8.105 8.105 7.845 0.260 19214 850 1 2 . 1 1 447 447 LEU N N 447 121.874 121.874 121.874 0.000 19214 851 1 2 . 1 1 447 447 LEU HA H 447 3.852 3.852 3.890 -0.038 19214 852 1 2 . 1 1 447 447 LEU C C 447 179.512 179.512 178.801 0.711 19214 853 1 2 . 1 1 447 447 LEU CA C 447 58.956 58.956 58.183 0.773 19214 854 1 2 . 1 1 447 447 LEU CB C 447 42.493 42.493 41.336 1.157 19214 855 1 2 . 1 1 447 447 LEU H H 447 8.552 8.552 7.488 1.064 19214 856 1 2 . 1 1 448 448 VAL N N 448 108.313 108.313 117.677 -9.364 19214 857 1 2 . 1 1 448 448 VAL HA H 448 4.039 4.039 3.708 0.331 19214 858 1 2 . 1 1 448 448 VAL C C 448 177.323 177.323 176.839 0.484 19214 859 1 2 . 1 1 448 448 VAL CA C 448 64.562 64.562 65.944 -1.382 19214 860 1 2 . 1 1 448 448 VAL CB C 448 30.055 30.055 31.830 -1.775 19214 861 1 2 . 1 1 448 448 VAL H H 448 7.695 7.695 7.572 0.123 19214 862 1 2 . 1 1 449 449 ALA N N 449 124.683 124.683 122.686 1.997 19214 863 1 2 . 1 1 449 449 ALA HA H 449 4.246 4.246 4.024 0.222 19214 864 1 2 . 1 1 449 449 ALA C C 449 181.275 181.275 179.693 1.582 19214 865 1 2 . 1 1 449 449 ALA CA C 449 55.054 55.054 55.194 -0.140 19214 866 1 2 . 1 1 449 449 ALA CB C 449 18.528 18.528 18.177 0.351 19214 867 1 2 . 1 1 449 449 ALA H H 449 7.421 7.421 7.912 -0.491 19214 868 1 2 . 1 1 450 450 LYS N N 450 118.092 118.092 118.849 -0.757 19214 869 1 2 . 1 1 450 450 LYS HA H 450 4.170 4.170 4.162 0.008 19214 870 1 2 . 1 1 450 450 LYS C C 450 180.083 180.083 179.519 0.564 19214 871 1 2 . 1 1 450 450 LYS CA C 450 58.219 58.219 59.132 -0.913 19214 872 1 2 . 1 1 450 450 LYS CB C 450 31.697 31.697 32.613 -0.916 19214 873 1 2 . 1 1 450 450 LYS H H 450 8.806 8.806 8.155 0.651 19214 874 1 2 . 1 1 451 451 GLY N N 451 108.217 108.217 108.244 -0.027 19214 875 1 2 . 1 1 451 451 GLY C C 451 173.724 173.724 175.896 -2.172 19214 876 1 2 . 1 1 451 451 GLY CA C 451 47.965 47.965 47.477 0.488 19214 877 1 2 . 1 1 451 451 GLY H H 451 8.816 8.816 8.855 -0.039 19214 878 1 2 . 1 1 452 452 ARG N N 452 122.310 122.310 121.020 1.290 19214 879 1 2 . 1 1 452 452 ARG HA H 452 4.100 4.100 3.979 0.121 19214 880 1 2 . 1 1 452 452 ARG C C 452 178.908 178.908 177.737 1.171 19214 881 1 2 . 1 1 452 452 ARG CA C 452 60.504 60.504 60.019 0.485 19214 882 1 2 . 1 1 452 452 ARG CB C 452 30.208 30.208 30.254 -0.046 19214 883 1 2 . 1 1 452 452 ARG H H 452 8.190 8.190 8.203 -0.013 19214 884 1 2 . 1 1 453 453 GLU N N 453 119.749 119.749 117.636 2.113 19214 885 1 2 . 1 1 453 453 GLU HA H 453 4.076 4.076 4.166 -0.090 19214 886 1 2 . 1 1 453 453 GLU C C 453 178.638 178.638 178.621 0.017 19214 887 1 2 . 1 1 453 453 GLU CA C 453 58.999 58.999 58.849 0.150 19214 888 1 2 . 1 1 453 453 GLU CB C 453 30.188 30.188 29.478 0.710 19214 889 1 2 . 1 1 453 453 GLU H H 453 7.872 7.872 7.648 0.224 19214 890 1 2 . 1 1 454 454 LEU N N 454 119.235 119.235 119.219 0.016 19214 891 1 2 . 1 1 454 454 LEU HA H 454 4.157 4.157 4.130 0.027 19214 892 1 2 . 1 1 454 454 LEU C C 454 178.446 178.446 179.082 -0.636 19214 893 1 2 . 1 1 454 454 LEU CA C 454 57.868 57.868 57.675 0.193 19214 894 1 2 . 1 1 454 454 LEU CB C 454 43.001 43.001 42.559 0.442 19214 895 1 2 . 1 1 454 454 LEU H H 454 8.275 8.275 8.388 -0.113 19214 896 1 2 . 1 1 455 455 LEU N N 455 112.983 112.983 115.535 -2.552 19214 897 1 2 . 1 1 455 455 LEU HA H 455 4.406 4.406 4.109 0.297 19214 898 1 2 . 1 1 455 455 LEU C C 455 177.047 177.047 176.833 0.214 19214 899 1 2 . 1 1 455 455 LEU CA C 455 54.730 54.730 55.702 -0.972 19214 900 1 2 . 1 1 455 455 LEU CB C 455 43.848 43.848 42.298 1.550 19214 901 1 2 . 1 1 455 455 LEU H H 455 7.393 7.393 8.340 -0.947 19214 902 1 2 . 1 1 456 456 ALA N N 456 124.090 124.090 116.878 7.212 19214 903 1 2 . 1 1 456 456 ALA HA H 456 4.239 4.239 4.058 0.181 19214 904 1 2 . 1 1 456 456 ALA C C 456 177.010 177.010 177.329 -0.319 19214 905 1 2 . 1 1 456 456 ALA CA C 456 52.955 52.955 52.657 0.298 19214 906 1 2 . 1 1 456 456 ALA CB C 456 16.479 16.479 16.386 0.093 19214 907 1 2 . 1 1 456 456 ALA H H 456 8.567 8.567 7.624 0.943 19214 908 1 2 . 1 1 457 457 CYS N N 457 111.388 111.388 116.114 -4.726 19214 909 1 2 . 1 1 457 457 CYS HA H 457 5.658 5.658 4.402 1.256 19214 910 1 2 . 1 1 457 457 CYS C C 457 173.094 173.094 174.960 -1.866 19214 911 1 2 . 1 1 457 457 CYS CA C 457 54.770 54.770 58.148 -3.378 19214 912 1 2 . 1 1 457 457 CYS CB C 457 29.803 29.803 29.536 0.267 19214 913 1 2 . 1 1 457 457 CYS H H 457 6.942 6.942 7.540 -0.598 19214 914 1 2 . 1 1 458 458 ASP N N 458 117.058 117.058 118.658 -1.600 19214 915 1 2 . 1 1 458 458 ASP HA H 458 4.808 4.808 4.818 -0.010 19214 916 1 2 . 1 1 458 458 ASP C C 458 175.313 175.313 175.301 0.012 19214 917 1 2 . 1 1 458 458 ASP CA C 458 57.780 57.780 55.032 2.748 19214 918 1 2 . 1 1 458 458 ASP CB C 458 42.699 42.699 42.942 -0.243 19214 919 1 2 . 1 1 458 458 ASP H H 458 7.157 7.157 8.505 -1.348 19214 920 1 2 . 1 1 459 459 ARG N N 459 117.570 117.570 117.747 -0.177 19214 921 1 2 . 1 1 459 459 ARG HA H 459 5.396 5.396 4.618 0.778 19214 922 1 2 . 1 1 459 459 ARG C C 459 174.465 174.465 173.755 0.710 19214 923 1 2 . 1 1 459 459 ARG CA C 459 55.628 55.628 55.544 0.084 19214 924 1 2 . 1 1 459 459 ARG CB C 459 35.127 35.127 33.802 1.325 19214 925 1 2 . 1 1 459 459 ARG H H 459 7.946 7.946 7.545 0.401 19214 926 1 2 . 1 1 460 460 VAL N N 460 126.878 126.878 122.276 4.602 19214 927 1 2 . 1 1 460 460 VAL HA H 460 5.410 5.410 4.469 0.941 19214 928 1 2 . 1 1 460 460 VAL C C 460 174.698 174.698 173.886 0.812 19214 929 1 2 . 1 1 460 460 VAL CA C 460 61.229 61.229 61.226 0.003 19214 930 1 2 . 1 1 460 460 VAL CB C 460 35.335 35.335 36.176 -0.841 19214 931 1 2 . 1 1 460 460 VAL H H 460 9.200 9.200 8.562 0.638 19214 932 1 2 . 1 1 461 461 ILE N N 461 120.070 120.070 119.387 0.683 19214 933 1 2 . 1 1 461 461 ILE HA H 461 5.198 5.198 4.776 0.422 19214 934 1 2 . 1 1 461 461 ILE C C 461 174.647 174.647 173.527 1.120 19214 935 1 2 . 1 1 461 461 ILE CA C 461 59.112 59.112 59.843 -0.731 19214 936 1 2 . 1 1 461 461 ILE CB C 461 42.959 42.959 42.174 0.785 19214 937 1 2 . 1 1 461 461 ILE H H 461 9.247 9.247 8.911 0.336 19214 938 1 2 . 1 1 462 462 VAL N N 462 118.676 118.676 121.318 -2.642 19214 939 1 2 . 1 1 462 462 VAL HA H 462 4.668 4.668 4.555 0.113 19214 940 1 2 . 1 1 462 462 VAL C C 462 173.970 173.970 174.912 -0.942 19214 941 1 2 . 1 1 462 462 VAL CA C 462 61.528 61.528 60.970 0.558 19214 942 1 2 . 1 1 462 462 VAL CB C 462 33.865 33.865 33.243 0.622 19214 943 1 2 . 1 1 462 462 VAL H H 462 7.400 7.400 8.729 -1.329 19214 944 1 2 . 1 1 463 463 TYR N N 463 131.551 131.551 126.647 4.904 19214 945 1 2 . 1 1 463 463 TYR HA H 463 4.937 4.937 5.413 -0.476 19214 946 1 2 . 1 1 463 463 TYR C C 463 173.196 173.196 172.561 0.635 19214 947 1 2 . 1 1 463 463 TYR CA C 463 55.589 55.589 56.020 -0.430 19214 948 1 2 . 1 1 463 463 TYR CB C 463 41.849 41.849 42.521 -0.672 19214 949 1 2 . 1 1 463 463 TYR H H 463 8.782 8.782 8.014 0.768 19214 950 1 2 . 1 1 464 464 ALA N N 464 127.436 127.436 123.700 3.736 19214 951 1 2 . 1 1 464 464 ALA HA H 464 4.418 4.418 4.336 0.082 19214 952 1 2 . 1 1 464 464 ALA C C 464 175.095 175.095 174.292 0.803 19214 953 1 2 . 1 1 464 464 ALA CA C 464 50.422 50.422 49.420 1.002 19214 954 1 2 . 1 1 464 464 ALA CB C 464 22.676 22.676 22.393 0.283 19214 955 1 2 . 1 1 464 464 ALA H H 464 8.295 8.295 7.766 0.529 19214 956 1 2 . 1 1 465 465 PHE N N 465 116.385 116.385 117.088 -0.703 19214 957 1 2 . 1 1 465 465 PHE HA H 465 4.434 4.434 4.961 -0.527 19214 958 1 2 . 1 1 465 465 PHE C C 465 176.189 176.189 174.702 1.487 19214 959 1 2 . 1 1 465 465 PHE CA C 465 56.771 56.771 55.634 1.137 19214 960 1 2 . 1 1 465 465 PHE CB C 465 42.082 42.082 38.614 3.468 19214 961 1 2 . 1 1 465 465 PHE H H 465 7.426 7.426 7.898 -0.472 19214 962 1 2 . 1 1 466 466 ASP N N 466 121.980 121.980 124.317 -2.337 19214 963 1 2 . 1 1 466 466 ASP HA H 466 4.765 4.765 4.277 0.488 19214 964 1 2 . 1 1 466 466 ASP C C 466 178.212 178.212 177.216 0.996 19214 965 1 2 . 1 1 466 466 ASP CA C 466 52.007 52.007 53.194 -1.187 19214 966 1 2 . 1 1 466 466 ASP CB C 466 41.201 41.201 42.159 -0.958 19214 967 1 2 . 1 1 466 466 ASP H H 466 8.012 8.012 7.820 0.192 19214 968 1 2 . 1 1 467 467 ASP N N 467 116.915 116.915 118.906 -1.991 19214 969 1 2 . 1 1 467 467 ASP HA H 467 4.146 4.146 4.451 -0.305 19214 970 1 2 . 1 1 467 467 ASP C C 467 176.189 176.189 175.240 0.949 19214 971 1 2 . 1 1 467 467 ASP CA C 467 56.172 56.172 55.074 1.098 19214 972 1 2 . 1 1 467 467 ASP CB C 467 40.189 40.189 40.297 -0.108 19214 973 1 2 . 1 1 467 467 ASP H H 467 8.335 8.335 8.592 -0.257 19214 974 1 2 . 1 1 468 468 ASN N N 468 116.918 116.918 116.381 0.537 19214 975 1 2 . 1 1 468 468 ASN HA H 468 4.689 4.689 4.743 -0.054 19214 976 1 2 . 1 1 468 468 ASN C C 468 174.068 174.068 175.008 -0.940 19214 977 1 2 . 1 1 468 468 ASN CA C 468 52.711 52.711 52.459 0.252 19214 978 1 2 . 1 1 468 468 ASN CB C 468 39.418 39.418 38.779 0.639 19214 979 1 2 . 1 1 468 468 ASN H H 468 8.237 8.237 7.830 0.407 19214 980 1 2 . 1 1 469 469 TYR N N 469 113.180 113.180 114.900 -1.720 19214 981 1 2 . 1 1 469 469 TYR HA H 469 3.614 3.614 4.082 -0.468 19214 982 1 2 . 1 1 469 469 TYR C C 469 173.766 173.766 174.482 -0.716 19214 983 1 2 . 1 1 469 469 TYR CA C 469 60.636 60.636 58.856 1.780 19214 984 1 2 . 1 1 469 469 TYR CB C 469 34.697 34.697 35.409 -0.712 19214 985 1 2 . 1 1 469 469 TYR H H 469 7.975 7.975 7.098 0.877 19214 986 1 2 . 1 1 470 470 VAL N N 470 120.871 120.871 118.603 2.268 19214 987 1 2 . 1 1 470 470 VAL HA H 470 4.100 4.100 4.276 -0.176 19214 988 1 2 . 1 1 470 470 VAL CA C 470 63.555 63.555 61.763 1.792 19214 989 1 2 . 1 1 470 470 VAL CB C 470 31.054 31.054 32.890 -1.836 19214 990 1 2 . 1 1 470 470 VAL H H 470 8.354 8.354 7.270 1.084 19214 991 1 2 . 1 1 474 474 VAL HA H 474 4.288 4.288 3.679 0.609 19214 992 1 2 . 1 1 474 474 VAL C C 474 175.489 175.489 175.782 -0.293 19214 993 1 2 . 1 1 474 474 VAL CA C 474 61.669 61.669 63.486 -1.817 19214 994 1 2 . 1 1 474 474 VAL CB C 474 32.382 32.382 31.589 0.793 19214 995 1 2 . 1 1 475 475 ALA N N 475 118.920 118.920 118.625 0.295 19214 996 1 2 . 1 1 475 475 ALA HA H 475 4.552 4.552 4.669 -0.117 19214 997 1 2 . 1 1 475 475 ALA C C 475 174.363 174.363 174.737 -0.374 19214 998 1 2 . 1 1 475 475 ALA CA C 475 52.023 52.023 51.432 0.591 19214 999 1 2 . 1 1 475 475 ALA CB C 475 23.339 23.339 22.313 1.026 19214 1000 1 2 . 1 1 475 475 ALA H H 475 7.321 7.321 7.290 0.031 19214 1001 1 2 . 1 1 476 476 GLU N N 476 121.933 121.933 122.188 -0.255 19214 1002 1 2 . 1 1 476 476 GLU HA H 476 5.128 5.128 4.716 0.412 19214 1003 1 2 . 1 1 476 476 GLU C C 476 173.921 173.921 175.202 -1.281 19214 1004 1 2 . 1 1 476 476 GLU CA C 476 55.372 55.372 55.388 -0.016 19214 1005 1 2 . 1 1 476 476 GLU CB C 476 35.144 35.144 33.237 1.907 19214 1006 1 2 . 1 1 476 476 GLU H H 476 8.969 8.969 8.747 0.222 19214 1007 1 2 . 1 1 477 477 SER N N 477 121.397 121.397 123.588 -2.191 19214 1008 1 2 . 1 1 477 477 SER HA H 477 4.855 4.855 4.928 -0.073 19214 1009 1 2 . 1 1 477 477 SER C C 477 173.315 173.315 172.580 0.735 19214 1010 1 2 . 1 1 477 477 SER CA C 477 56.600 56.600 57.211 -0.611 19214 1011 1 2 . 1 1 477 477 SER CB C 477 64.022 64.022 64.381 -0.359 19214 1012 1 2 . 1 1 477 477 SER H H 477 9.069 9.069 8.563 0.506 19214 1013 1 2 . 1 1 478 478 VAL N N 478 128.194 128.194 122.540 5.654 19214 1014 1 2 . 1 1 478 478 VAL HA H 478 5.287 5.287 4.473 0.814 19214 1015 1 2 . 1 1 478 478 VAL C C 478 173.093 173.093 174.777 -1.684 19214 1016 1 2 . 1 1 478 478 VAL CA C 478 58.849 58.849 60.131 -1.282 19214 1017 1 2 . 1 1 478 478 VAL CB C 478 35.764 35.764 34.523 1.241 19214 1018 1 2 . 1 1 478 478 VAL H H 478 9.081 9.081 8.301 0.780 19214 1019 1 2 . 1 1 479 479 ALA N N 479 129.566 129.566 129.375 0.191 19214 1020 1 2 . 1 1 479 479 ALA HA H 479 4.358 4.358 4.394 -0.036 19214 1021 1 2 . 1 1 479 479 ALA C C 479 176.760 176.760 177.497 -0.737 19214 1022 1 2 . 1 1 479 479 ALA CA C 479 52.215 52.215 52.275 -0.060 19214 1023 1 2 . 1 1 479 479 ALA CB C 479 20.082 20.082 19.718 0.364 19214 1024 1 2 . 1 1 479 479 ALA H H 479 8.688 8.688 8.297 0.391 19214 1025 1 2 . 1 1 480 480 GLU N N 480 120.391 120.391 119.245 1.146 19214 1026 1 2 . 1 1 480 480 GLU HA H 480 4.011 4.011 4.103 -0.092 19214 1027 1 2 . 1 1 480 480 GLU C C 480 177.201 177.201 177.487 -0.286 19214 1028 1 2 . 1 1 480 480 GLU CA C 480 58.178 58.178 57.834 0.344 19214 1029 1 2 . 1 1 480 480 GLU CB C 480 29.829 29.829 29.734 0.095 19214 1030 1 2 . 1 1 480 480 GLU H H 480 8.531 8.531 8.525 0.006 19214 1031 1 2 . 1 1 481 481 GLY N N 481 110.913 110.913 111.289 -0.376 19214 1032 1 2 . 1 1 481 481 GLY C C 481 174.000 174.000 174.212 -0.212 19214 1033 1 2 . 1 1 481 481 GLY CA C 481 44.644 44.644 44.343 0.301 19214 1034 1 2 . 1 1 481 481 GLY H H 481 8.557 8.557 8.744 -0.187 19214 1035 1 2 . 1 1 482 482 TRP N N 482 119.571 119.571 122.539 -2.968 19214 1036 1 2 . 1 1 482 482 TRP HA H 482 5.200 5.200 5.037 0.163 19214 1037 1 2 . 1 1 482 482 TRP CA C 482 53.641 53.641 54.339 -0.698 19214 1038 1 2 . 1 1 482 482 TRP CB C 482 29.556 29.556 29.518 0.038 19214 1039 1 2 . 1 1 482 482 TRP H H 482 7.066 7.066 7.254 -0.188 19214 1040 1 2 . 1 1 484 484 GLN CB C 484 28.700 28.700 28.759 -0.059 19214 1041 1 2 . 1 1 485 485 ALA HA H 485 4.021 4.021 4.198 -0.177 19214 1042 1 2 . 1 1 485 485 ALA C C 485 180.181 180.181 179.118 1.063 19214 1043 1 2 . 1 1 485 485 ALA CA C 485 55.328 55.328 54.329 0.999 19214 1044 1 2 . 1 1 485 485 ALA CB C 485 18.537 18.537 18.777 -0.240 19214 1045 1 2 . 1 1 486 486 ARG N N 486 114.901 114.901 118.418 -3.517 19214 1046 1 2 . 1 1 486 486 ARG HA H 486 4.104 4.104 4.065 0.039 19214 1047 1 2 . 1 1 486 486 ARG C C 486 176.165 176.165 176.993 -0.828 19214 1048 1 2 . 1 1 486 486 ARG CA C 486 58.068 58.068 58.808 -0.740 19214 1049 1 2 . 1 1 486 486 ARG CB C 486 29.624 29.624 29.856 -0.232 19214 1050 1 2 . 1 1 486 486 ARG H H 486 8.998 8.998 8.209 0.789 19214 1051 1 2 . 1 1 487 487 ASP N N 487 117.227 117.227 116.901 0.326 19214 1052 1 2 . 1 1 487 487 ASP HA H 487 4.724 4.724 4.579 0.145 19214 1053 1 2 . 1 1 487 487 ASP C C 487 175.859 175.859 176.140 -0.281 19214 1054 1 2 . 1 1 487 487 ASP CA C 487 54.873 54.873 55.171 -0.298 19214 1055 1 2 . 1 1 487 487 ASP CB C 487 41.415 41.415 41.482 -0.067 19214 1056 1 2 . 1 1 487 487 ASP H H 487 7.424 7.424 7.788 -0.364 19214 1057 1 2 . 1 1 488 488 GLN N N 488 117.558 117.558 118.862 -1.304 19214 1058 1 2 . 1 1 488 488 GLN HA H 488 4.471 4.471 4.517 -0.046 19214 1059 1 2 . 1 1 488 488 GLN C C 488 175.010 175.010 175.111 -0.101 19214 1060 1 2 . 1 1 488 488 GLN CA C 488 54.037 54.037 54.837 -0.800 19214 1061 1 2 . 1 1 488 488 GLN CB C 488 29.989 29.989 30.255 -0.266 19214 1062 1 2 . 1 1 488 488 GLN H H 488 7.548 7.548 8.132 -0.584 19214 1063 1 2 . 1 1 489 489 VAL N N 489 122.991 122.991 124.045 -1.054 19214 1064 1 2 . 1 1 489 489 VAL HA H 489 4.102 4.102 4.180 -0.078 19214 1065 1 2 . 1 1 489 489 VAL C C 489 175.471 175.471 175.448 0.023 19214 1066 1 2 . 1 1 489 489 VAL CA C 489 62.947 62.947 60.815 2.132 19214 1067 1 2 . 1 1 489 489 VAL CB C 489 31.473 31.473 32.487 -1.014 19214 1068 1 2 . 1 1 489 489 VAL H H 489 8.426 8.426 8.525 -0.099 19214 1069 1 2 . 1 1 490 490 ILE N N 490 128.401 128.401 128.208 0.193 19214 1070 1 2 . 1 1 490 490 ILE HA H 490 4.310 4.310 3.908 0.402 19214 1071 1 2 . 1 1 490 490 ILE H H 490 8.474 8.474 8.562 -0.088 19214 1072 1 2 . 1 1 491 491 GLU HA H 491 4.361 4.361 4.144 0.217 19214 1073 1 2 . 1 1 491 491 GLU C C 491 174.175 174.175 176.659 -2.484 19214 1074 1 2 . 1 1 491 491 GLU CA C 491 54.874 54.874 57.610 -2.736 19214 1075 1 2 . 1 1 491 491 GLU CB C 491 31.063 31.063 29.812 1.251 19214 1076 1 2 . 1 1 492 492 ASP N N 492 117.270 117.270 121.039 -3.769 19214 1077 1 2 . 1 1 492 492 ASP HA H 492 4.730 4.730 4.634 0.096 19214 1078 1 2 . 1 1 492 492 ASP CA C 492 52.914 52.914 52.512 0.402 19214 1079 1 2 . 1 1 492 492 ASP CB C 492 44.223 44.223 41.208 3.015 19214 1080 1 2 . 1 1 492 492 ASP H H 492 6.870 6.870 7.825 -0.955 19214 1081 1 2 . 1 1 493 493 PRO C C 493 178.700 178.700 176.555 2.145 19214 1082 1 2 . 1 1 493 493 PRO CA C 493 63.429 63.429 61.916 1.513 19214 1083 1 2 . 1 1 493 493 PRO CB C 493 32.064 32.064 33.158 -1.094 19214 1084 1 2 . 1 1 494 494 CYS N N 494 121.800 121.800 121.093 0.707 19214 1085 1 2 . 1 1 494 494 CYS H H 494 8.010 8.010 8.576 -0.566 19214 1086 1 2 . 1 1 495 495 PHE CB C 495 36.800 36.800 40.336 -3.536 19214 1087 1 2 . 1 1 500 500 VAL C C 500 177.132 177.132 178.085 -0.953 19214 1088 1 2 . 1 1 501 501 GLU N N 501 117.783 117.783 118.774 -0.991 19214 1089 1 2 . 1 1 501 501 GLU C C 501 178.329 178.329 178.144 0.185 19214 1090 1 2 . 1 1 501 501 GLU H H 501 8.169 8.169 7.996 0.173 19214 1091 1 2 . 1 1 502 502 ALA N N 502 120.877 120.877 121.471 -0.594 19214 1092 1 2 . 1 1 502 502 ALA HA H 502 3.976 3.976 3.845 0.131 19214 1093 1 2 . 1 1 502 502 ALA C C 502 181.216 181.216 179.473 1.743 19214 1094 1 2 . 1 1 502 502 ALA CA C 502 55.113 55.113 54.937 0.176 19214 1095 1 2 . 1 1 502 502 ALA CB C 502 17.660 17.660 18.052 -0.393 19214 1096 1 2 . 1 1 502 502 ALA H H 502 7.982 7.982 7.785 0.197 19214 1097 1 2 . 1 1 503 503 TYR N N 503 116.217 116.217 116.821 -0.604 19214 1098 1 2 . 1 1 503 503 TYR HA H 503 4.440 4.440 4.378 0.062 19214 1099 1 2 . 1 1 503 503 TYR C C 503 178.488 178.488 178.775 -0.287 19214 1100 1 2 . 1 1 503 503 TYR CA C 503 62.517 62.517 60.518 1.999 19214 1101 1 2 . 1 1 503 503 TYR CB C 503 38.834 38.834 38.153 0.681 19214 1102 1 2 . 1 1 503 503 TYR H H 503 7.310 7.310 7.470 -0.160 19214 1103 1 2 . 1 1 504 504 ARG N N 504 122.384 122.384 119.518 2.866 19214 1104 1 2 . 1 1 504 504 ARG HA H 504 3.748 3.748 4.063 -0.315 19214 1105 1 2 . 1 1 504 504 ARG C C 504 177.207 177.207 176.550 0.657 19214 1106 1 2 . 1 1 504 504 ARG CA C 504 59.734 59.734 58.706 1.028 19214 1107 1 2 . 1 1 504 504 ARG CB C 504 30.200 30.200 30.079 0.121 19214 1108 1 2 . 1 1 504 504 ARG H H 504 8.424 8.424 7.648 0.776 19214 1109 1 2 . 1 1 505 505 GLN N N 505 112.682 112.682 115.127 -2.445 19214 1110 1 2 . 1 1 505 505 GLN HA H 505 4.220 4.220 4.452 -0.232 19214 1111 1 2 . 1 1 505 505 GLN C C 505 176.342 176.342 176.491 -0.149 19214 1112 1 2 . 1 1 505 505 GLN CA C 505 55.587 55.587 55.109 0.478 19214 1113 1 2 . 1 1 505 505 GLN CB C 505 28.591 28.591 29.555 -0.964 19214 1114 1 2 . 1 1 505 505 GLN H H 505 7.436 7.436 7.472 -0.036 19214 1115 1 2 . 1 1 506 506 GLY N N 506 107.068 107.068 109.697 -2.629 19214 1116 1 2 . 1 1 506 506 GLY C C 506 174.202 174.202 173.775 0.427 19214 1117 1 2 . 1 1 506 506 GLY CA C 506 45.499 45.499 44.955 0.544 19214 1118 1 2 . 1 1 506 506 GLY H H 506 7.910 7.910 8.035 -0.125 19214 1119 1 2 . 1 1 507 507 ARG N N 507 123.044 123.044 120.157 2.887 19214 1120 1 2 . 1 1 507 507 ARG HA H 507 3.857 3.857 4.236 -0.379 19214 1121 1 2 . 1 1 507 507 ARG C C 507 172.375 172.375 175.594 -3.219 19214 1122 1 2 . 1 1 507 507 ARG CA C 507 57.969 57.969 56.175 1.794 19214 1123 1 2 . 1 1 507 507 ARG CB C 507 30.269 30.269 31.371 -1.102 19214 1124 1 2 . 1 1 507 507 ARG H H 507 7.934 7.934 7.647 0.287 19214 1125 1 2 . 1 1 508 508 ILE N N 508 120.600 120.600 123.172 -2.572 19214 1126 1 2 . 1 1 508 508 ILE HA H 508 4.819 4.819 4.218 0.601 19214 1127 1 2 . 1 1 508 508 ILE C C 508 177.238 177.238 174.866 2.372 19214 1128 1 2 . 1 1 508 508 ILE CA C 508 59.801 59.801 60.629 -0.828 19214 1129 1 2 . 1 1 508 508 ILE CB C 508 41.877 41.877 38.896 2.981 19214 1130 1 2 . 1 1 508 508 ILE H H 508 7.572 7.572 8.240 -0.668 19214 1131 1 2 . 1 1 509 509 GLN N N 509 127.676 127.676 128.888 -1.212 19214 1132 1 2 . 1 1 509 509 GLN HA H 509 4.761 4.761 4.644 0.117 19214 1133 1 2 . 1 1 509 509 GLN C C 509 172.804 172.804 173.539 -0.735 19214 1134 1 2 . 1 1 509 509 GLN CA C 509 54.158 54.158 54.546 -0.388 19214 1135 1 2 . 1 1 509 509 GLN CB C 509 31.078 31.078 30.970 0.108 19214 1136 1 2 . 1 1 509 509 GLN H H 509 8.894 8.894 8.397 0.497 19214 1137 1 2 . 1 1 510 510 ALA N N 510 132.910 132.910 130.462 2.448 19214 1138 1 2 . 1 1 510 510 ALA HA H 510 4.912 4.912 4.620 0.292 19214 1139 1 2 . 1 1 510 510 ALA C C 510 175.581 175.581 176.460 -0.879 19214 1140 1 2 . 1 1 510 510 ALA CA C 510 51.180 51.180 51.185 -0.006 19214 1141 1 2 . 1 1 510 510 ALA CB C 510 19.939 19.939 20.905 -0.966 19214 1142 1 2 . 1 1 510 510 ALA H H 510 9.110 9.110 8.675 0.435 19214 1143 1 2 . 1 1 511 511 THR N N 511 123.543 123.543 122.648 0.895 19214 1144 1 2 . 1 1 511 511 THR HA H 511 4.636 4.636 4.842 -0.206 19214 1145 1 2 . 1 1 511 511 THR C C 511 174.690 174.690 174.899 -0.209 19214 1146 1 2 . 1 1 511 511 THR CA C 511 61.883 61.883 61.659 0.224 19214 1147 1 2 . 1 1 511 511 THR CB C 511 69.826 69.826 69.774 0.052 19214 1148 1 2 . 1 1 511 511 THR H H 511 9.525 9.525 8.178 1.347 19214 1149 1 2 . 1 1 512 512 THR N N 512 129.502 129.502 119.088 10.414 19214 1150 1 2 . 1 1 512 512 THR HA H 512 4.524 4.524 3.989 0.535 19214 1151 1 2 . 1 1 512 512 THR C C 512 172.791 172.791 173.493 -0.702 19214 1152 1 2 . 1 1 512 512 THR CA C 512 63.974 63.974 65.569 -1.595 19214 1153 1 2 . 1 1 512 512 THR CB C 512 69.199 69.199 69.107 0.092 19214 1154 1 2 . 1 1 512 512 THR H H 512 9.024 9.024 8.885 0.139 19214 1155 1 2 . 1 1 513 513 ASP N N 513 113.203 113.203 114.656 -1.453 19214 1156 1 2 . 1 1 513 513 ASP HA H 513 4.891 4.891 4.767 0.124 19214 1157 1 2 . 1 1 513 513 ASP C C 513 179.282 179.282 175.605 3.677 19214 1158 1 2 . 1 1 513 513 ASP CA C 513 51.637 51.637 53.294 -1.657 19214 1159 1 2 . 1 1 513 513 ASP CB C 513 42.591 42.591 42.050 0.541 19214 1160 1 2 . 1 1 513 513 ASP H H 513 7.263 7.263 7.815 -0.552 19214 1161 1 2 . 1 1 514 514 ILE N N 514 122.554 122.554 120.590 1.964 19214 1162 1 2 . 1 1 514 514 ILE HA H 514 3.595 3.595 3.917 -0.322 19214 1163 1 2 . 1 1 514 514 ILE C C 514 175.984 175.984 176.713 -0.729 19214 1164 1 2 . 1 1 514 514 ILE CA C 514 64.552 64.552 63.402 1.150 19214 1165 1 2 . 1 1 514 514 ILE CB C 514 37.796 37.796 37.764 0.032 19214 1166 1 2 . 1 1 514 514 ILE H H 514 9.465 9.465 8.716 0.749 19214 1167 1 2 . 1 1 515 515 PHE N N 515 117.573 117.573 117.536 0.037 19214 1168 1 2 . 1 1 515 515 PHE HA H 515 4.399 4.399 4.250 0.149 19214 1169 1 2 . 1 1 515 515 PHE C C 515 176.347 176.347 176.252 0.095 19214 1170 1 2 . 1 1 515 515 PHE CA C 515 59.346 59.346 59.974 -0.628 19214 1171 1 2 . 1 1 515 515 PHE CB C 515 37.709 37.709 38.735 -1.026 19214 1172 1 2 . 1 1 515 515 PHE H H 515 7.804 7.804 8.386 -0.582 19214 1173 1 2 . 1 1 516 516 LYS N N 516 118.690 118.690 117.298 1.392 19214 1174 1 2 . 1 1 516 516 LYS HA H 516 4.692 4.692 4.423 0.269 19214 1175 1 2 . 1 1 516 516 LYS C C 516 175.821 175.821 175.648 0.173 19214 1176 1 2 . 1 1 516 516 LYS CA C 516 54.851 54.851 55.508 -0.657 19214 1177 1 2 . 1 1 516 516 LYS CB C 516 33.855 33.855 31.885 1.970 19214 1178 1 2 . 1 1 516 516 LYS H H 516 7.559 7.559 7.663 -0.104 19214 1179 1 2 . 1 1 517 517 ALA N N 517 121.471 121.471 121.289 0.182 19214 1180 1 2 . 1 1 517 517 ALA HA H 517 4.530 4.530 4.519 0.011 19214 1181 1 2 . 1 1 517 517 ALA CA C 517 52.124 52.124 51.603 0.520 19214 1182 1 2 . 1 1 517 517 ALA CB C 517 20.974 20.974 20.816 0.158 19214 1183 1 2 . 1 1 517 517 ALA H H 517 7.219 7.219 7.226 -0.007 19214 1184 1 2 . 1 1 518 518 GLY C C 518 175.423 175.423 174.492 0.931 19214 1185 1 2 . 1 1 518 518 GLY CA C 518 46.692 46.692 45.339 1.353 19214 1186 1 2 . 1 1 519 519 LEU N N 519 119.857 119.857 117.838 2.019 19214 1187 1 2 . 1 1 519 519 LEU HA H 519 4.348 4.348 4.138 0.210 19214 1188 1 2 . 1 1 519 519 LEU C C 519 177.704 177.704 178.161 -0.457 19214 1189 1 2 . 1 1 519 519 LEU CA C 519 54.535 54.535 55.884 -1.349 19214 1190 1 2 . 1 1 519 519 LEU CB C 519 41.174 41.174 41.918 -0.744 19214 1191 1 2 . 1 1 519 519 LEU H H 519 8.531 8.531 7.856 0.675 19214 1192 1 2 . 1 1 520 520 THR N N 520 113.386 113.386 109.178 4.208 19214 1193 1 2 . 1 1 520 520 THR HA H 520 4.260 4.260 3.865 0.395 19214 1194 1 2 . 1 1 520 520 THR CA C 520 61.653 61.653 63.803 -2.150 19214 1195 1 2 . 1 1 520 520 THR CB C 520 71.260 71.260 67.714 3.546 19214 1196 1 2 . 1 1 520 520 THR H H 520 9.352 9.352 8.516 0.836 19214 1197 1 2 . 1 1 522 522 CYS HA H 522 4.385 4.385 4.465 -0.080 19214 1198 1 2 . 1 1 522 522 CYS C C 522 175.903 175.903 174.179 1.724 19214 1199 1 2 . 1 1 522 522 CYS CA C 522 58.664 58.664 58.598 0.066 19214 1200 1 2 . 1 1 522 522 CYS CB C 522 31.785 31.785 26.268 5.517 19214 1201 1 2 . 1 1 523 523 HIS N N 523 125.416 125.416 120.694 4.722 19214 1202 1 2 . 1 1 523 523 HIS HA H 523 4.430 4.430 4.398 0.032 19214 1203 1 2 . 1 1 523 523 HIS C C 523 178.292 178.292 176.193 2.099 19214 1204 1 2 . 1 1 523 523 HIS CA C 523 55.874 55.874 56.378 -0.504 19214 1205 1 2 . 1 1 523 523 HIS CB C 523 33.792 33.792 30.675 3.117 19214 1206 1 2 . 1 1 523 523 HIS H H 523 7.210 7.210 7.797 -0.587 19214 1207 1 2 . 1 1 524 524 LEU N N 524 120.382 120.382 120.520 -0.138 19214 1208 1 2 . 1 1 524 524 LEU HA H 524 3.447 3.447 3.577 -0.130 19214 1209 1 2 . 1 1 524 524 LEU C C 524 179.772 179.772 178.322 1.450 19214 1210 1 2 . 1 1 524 524 LEU CA C 524 58.643 58.643 58.848 -0.205 19214 1211 1 2 . 1 1 524 524 LEU CB C 524 41.395 41.395 41.055 0.340 19214 1212 1 2 . 1 1 524 524 LEU H H 524 8.407 8.407 8.654 -0.247 19214 1213 1 2 . 1 1 525 525 ASN N N 525 115.617 115.617 117.272 -1.655 19214 1214 1 2 . 1 1 525 525 ASN HA H 525 4.474 4.474 4.408 0.066 19214 1215 1 2 . 1 1 525 525 ASN C C 525 176.493 176.493 176.816 -0.323 19214 1216 1 2 . 1 1 525 525 ASN CA C 525 55.154 55.154 55.681 -0.527 19214 1217 1 2 . 1 1 525 525 ASN CB C 525 38.056 38.056 37.638 0.418 19214 1218 1 2 . 1 1 525 525 ASN H H 525 8.540 8.540 8.405 0.135 19214 1219 1 2 . 1 1 526 526 GLN N N 526 116.828 116.828 115.723 1.105 19214 1220 1 2 . 1 1 526 526 GLN HA H 526 4.004 4.004 4.394 -0.390 19214 1221 1 2 . 1 1 526 526 GLN C C 526 175.549 175.549 176.766 -1.217 19214 1222 1 2 . 1 1 526 526 GLN CA C 526 57.483 57.483 57.011 0.472 19214 1223 1 2 . 1 1 526 526 GLN CB C 526 29.433 29.433 29.860 -0.427 19214 1224 1 2 . 1 1 526 526 GLN H H 526 7.492 7.492 7.859 -0.367 19214 1225 1 2 . 1 1 527 527 LEU N N 527 115.200 115.200 119.806 -4.606 19214 1226 1 2 . 1 1 527 527 LEU HA H 527 4.064 4.064 4.418 -0.354 19214 1227 1 2 . 1 1 527 527 LEU C C 527 178.808 178.808 177.771 1.037 19214 1228 1 2 . 1 1 527 527 LEU CA C 527 55.460 55.460 56.156 -0.696 19214 1229 1 2 . 1 1 527 527 LEU CB C 527 43.643 43.643 42.753 0.890 19214 1230 1 2 . 1 1 527 527 LEU H H 527 6.803 6.803 8.132 -1.329 19214 1231 1 2 . 1 1 528 528 ARG N N 528 121.174 121.174 120.648 0.526 19214 1232 1 2 . 1 1 528 528 ARG HA H 528 4.230 4.230 4.417 -0.187 19214 1233 1 2 . 1 1 528 528 ARG CA C 528 61.240 61.240 59.988 1.252 19214 1234 1 2 . 1 1 528 528 ARG CB C 528 28.670 28.670 27.863 0.807 19214 1235 1 2 . 1 1 528 528 ARG H H 528 8.763 8.763 8.626 0.137 19214 1236 1 2 . 1 1 529 529 PRO HA H 529 4.397 4.397 4.273 0.124 19214 1237 1 2 . 1 1 529 529 PRO C C 529 176.672 176.672 177.644 -0.972 19214 1238 1 2 . 1 1 529 529 PRO CA C 529 65.693 65.693 65.371 0.322 19214 1239 1 2 . 1 1 529 529 PRO CB C 529 30.983 30.983 31.077 -0.094 19214 1240 1 2 . 1 1 530 530 LEU N N 530 112.952 112.952 114.748 -1.796 19214 1241 1 2 . 1 1 530 530 LEU HA H 530 4.198 4.198 4.218 -0.020 19214 1242 1 2 . 1 1 530 530 LEU C C 530 176.746 176.746 176.382 0.364 19214 1243 1 2 . 1 1 530 530 LEU CA C 530 53.564 53.564 54.942 -1.378 19214 1244 1 2 . 1 1 530 530 LEU CB C 530 42.143 42.143 41.761 0.382 19214 1245 1 2 . 1 1 530 530 LEU H H 530 6.762 6.762 7.810 -1.048 19214 1246 1 2 . 1 1 531 531 LYS N N 531 114.491 114.491 113.385 1.106 19214 1247 1 2 . 1 1 531 531 LYS HA H 531 3.921 3.921 3.971 -0.050 19214 1248 1 2 . 1 1 531 531 LYS C C 531 173.427 173.427 175.768 -2.341 19214 1249 1 2 . 1 1 531 531 LYS CA C 531 56.732 56.732 56.896 -0.164 19214 1250 1 2 . 1 1 531 531 LYS CB C 531 28.329 28.329 29.576 -1.247 19214 1251 1 2 . 1 1 531 531 LYS H H 531 8.319 8.319 7.783 0.536 19214 1252 1 2 . 1 1 532 532 VAL N N 532 114.641 114.641 113.504 1.137 19214 1253 1 2 . 1 1 532 532 VAL HA H 532 2.631 2.631 3.908 -1.277 19214 1254 1 2 . 1 1 532 532 VAL C C 532 174.660 174.660 175.293 -0.633 19214 1255 1 2 . 1 1 532 532 VAL CA C 532 65.644 65.644 63.196 2.448 19214 1256 1 2 . 1 1 532 532 VAL CB C 532 32.120 32.120 31.238 0.882 19214 1257 1 2 . 1 1 532 532 VAL H H 532 6.295 6.295 7.156 -0.861 19214 1258 1 2 . 1 1 533 533 ARG N N 533 120.970 120.970 125.421 -4.451 19214 1259 1 2 . 1 1 533 533 ARG HA H 533 4.473 4.473 4.288 0.185 19214 1260 1 2 . 1 1 533 533 ARG C C 533 173.734 173.734 175.650 -1.916 19214 1261 1 2 . 1 1 533 533 ARG CA C 533 55.062 55.062 56.786 -1.724 19214 1262 1 2 . 1 1 533 533 ARG CB C 533 30.163 30.163 30.977 -0.813 19214 1263 1 2 . 1 1 533 533 ARG H H 533 8.446 8.446 7.889 0.557 19214 1264 1 2 . 1 1 534 534 ALA N N 534 123.443 123.443 119.474 3.969 19214 1265 1 2 . 1 1 534 534 ALA HA H 534 4.842 4.842 5.006 -0.164 19214 1266 1 2 . 1 1 534 534 ALA C C 534 176.821 176.821 175.437 1.384 19214 1267 1 2 . 1 1 534 534 ALA CA C 534 51.093 51.093 50.553 0.540 19214 1268 1 2 . 1 1 534 534 ALA CB C 534 24.474 24.474 22.358 2.116 19214 1269 1 2 . 1 1 534 534 ALA H H 534 8.477 8.477 7.400 1.077 19214 1270 1 2 . 1 1 535 535 ASN N N 535 121.981 121.981 120.532 1.449 19214 1271 1 2 . 1 1 535 535 ASN HA H 535 5.709 5.709 5.109 0.600 19214 1272 1 2 . 1 1 535 535 ASN C C 535 171.453 171.453 173.283 -1.830 19214 1273 1 2 . 1 1 535 535 ASN CA C 535 52.188 52.188 53.158 -0.970 19214 1274 1 2 . 1 1 535 535 ASN CB C 535 44.081 44.081 42.237 1.844 19214 1275 1 2 . 1 1 535 535 ASN H H 535 8.910 8.910 8.635 0.275 19214 1276 1 2 . 1 1 536 536 LEU N N 536 132.341 132.341 126.663 5.678 19214 1277 1 2 . 1 1 536 536 LEU HA H 536 5.104 5.104 4.217 0.887 19214 1278 1 2 . 1 1 536 536 LEU C C 536 173.245 173.245 174.000 -0.755 19214 1279 1 2 . 1 1 536 536 LEU CA C 536 53.812 53.812 53.599 0.213 19214 1280 1 2 . 1 1 536 536 LEU CB C 536 41.977 41.977 44.901 -2.924 19214 1281 1 2 . 1 1 536 536 LEU H H 536 9.242 9.242 7.514 1.728 19214 1282 1 2 . 1 1 537 537 VAL N N 537 126.829 126.829 125.395 1.434 19214 1283 1 2 . 1 1 537 537 VAL HA H 537 4.580 4.580 4.999 -0.419 19214 1284 1 2 . 1 1 537 537 VAL C C 537 174.764 174.764 174.558 0.206 19214 1285 1 2 . 1 1 537 537 VAL CA C 537 61.450 61.450 60.365 1.085 19214 1286 1 2 . 1 1 537 537 VAL CB C 537 35.260 35.260 35.867 -0.607 19214 1287 1 2 . 1 1 537 537 VAL H H 537 9.258 9.258 8.163 1.095 19214 1288 1 2 . 1 1 538 538 VAL N N 538 120.280 120.280 117.233 3.047 19214 1289 1 2 . 1 1 538 538 VAL HA H 538 5.240 5.240 4.854 0.386 19214 1290 1 2 . 1 1 538 538 VAL CA C 538 56.785 56.785 58.065 -1.280 19214 1291 1 2 . 1 1 538 538 VAL CB C 538 33.470 33.470 34.200 -0.730 19214 1292 1 2 . 1 1 538 538 VAL H H 538 8.809 8.809 8.024 0.785 19214 1293 1 2 . 1 1 539 539 PRO HA H 539 4.756 4.756 4.677 0.079 19214 1294 1 2 . 1 1 539 539 PRO C C 539 175.826 175.826 175.574 0.252 19214 1295 1 2 . 1 1 539 539 PRO CA C 539 62.754 62.754 63.059 -0.305 19214 1296 1 2 . 1 1 539 539 PRO CB C 539 34.400 34.400 32.632 1.768 19214 1297 1 2 . 1 1 540 540 MET N N 540 118.724 118.724 122.900 -4.176 19214 1298 1 2 . 1 1 540 540 MET HA H 540 4.397 4.397 4.922 -0.525 19214 1299 1 2 . 1 1 540 540 MET C C 540 173.839 173.839 174.134 -0.295 19214 1300 1 2 . 1 1 540 540 MET CA C 540 55.758 55.758 54.798 0.960 19214 1301 1 2 . 1 1 540 540 MET CB C 540 34.217 34.217 36.045 -1.828 19214 1302 1 2 . 1 1 540 540 MET H H 540 8.360 8.360 8.016 0.344 19214 1303 1 2 . 1 1 541 541 VAL N N 541 125.320 125.320 121.422 3.898 19214 1304 1 2 . 1 1 541 541 VAL HA H 541 5.100 5.100 5.134 -0.034 19214 1305 1 2 . 1 1 541 541 VAL C C 541 174.569 174.569 173.760 0.809 19214 1306 1 2 . 1 1 541 541 VAL CA C 541 60.526 60.526 59.525 1.001 19214 1307 1 2 . 1 1 541 541 VAL CB C 541 34.461 34.461 34.965 -0.504 19214 1308 1 2 . 1 1 541 541 VAL H H 541 8.383 8.383 8.386 -0.003 19214 1309 1 2 . 1 1 542 542 ILE N N 542 125.677 125.677 123.663 2.014 19214 1310 1 2 . 1 1 542 542 ILE HA H 542 4.256 4.256 4.356 -0.100 19214 1311 1 2 . 1 1 542 542 ILE C C 542 175.815 175.815 175.466 0.349 19214 1312 1 2 . 1 1 542 542 ILE CA C 542 60.441 60.441 60.309 0.132 19214 1313 1 2 . 1 1 542 542 ILE CB C 542 41.219 41.219 40.388 0.831 19214 1314 1 2 . 1 1 542 542 ILE H H 542 8.470 8.470 9.023 -0.553 19214 1315 1 2 . 1 1 543 543 ASP N N 543 130.204 130.204 124.718 5.486 19214 1316 1 2 . 1 1 543 543 ASP HA H 543 4.150 4.150 4.268 -0.118 19214 1317 1 2 . 1 1 543 543 ASP CA C 543 56.014 56.014 55.011 1.003 19214 1318 1 2 . 1 1 543 543 ASP CB C 543 39.515 39.515 39.381 0.134 19214 1319 1 2 . 1 1 543 543 ASP H H 543 9.650 9.650 8.848 0.802 19214 1320 1 2 . 1 1 544 544 ASP HA H 544 4.180 4.180 4.258 -0.078 19214 1321 1 2 . 1 1 544 544 ASP C C 544 174.473 174.473 174.790 -0.317 19214 1322 1 2 . 1 1 544 544 ASP CA C 544 55.500 55.500 55.192 0.308 19214 1323 1 2 . 1 1 544 544 ASP CB C 544 40.941 40.941 39.125 1.816 19214 1324 1 2 . 1 1 545 545 GLN N N 545 117.251 117.251 117.052 0.199 19214 1325 1 2 . 1 1 545 545 GLN CA C 545 53.533 53.533 54.623 -1.090 19214 1326 1 2 . 1 1 545 545 GLN H H 545 7.868 7.868 7.451 0.417 19214 1327 1 2 . 1 1 546 546 LEU C C 546 174.500 174.500 175.646 -1.146 19214 1328 1 2 . 1 1 547 547 PHE N N 547 130.200 130.200 127.138 3.062 19214 1329 1 2 . 1 1 547 547 PHE HA H 547 4.650 4.650 4.434 0.216 19214 1330 1 2 . 1 1 547 547 PHE C C 547 176.033 176.033 174.127 1.906 19214 1331 1 2 . 1 1 547 547 PHE CA C 547 59.700 59.700 58.671 1.029 19214 1332 1 2 . 1 1 547 547 PHE CB C 547 40.800 40.800 42.937 -2.137 19214 1333 1 2 . 1 1 547 547 PHE H H 547 9.120 9.120 8.464 0.656 19214 1334 1 2 . 1 1 548 548 GLY N N 548 102.705 102.705 104.354 -1.649 19214 1335 1 2 . 1 1 548 548 GLY C C 548 169.494 169.494 171.634 -2.140 19214 1336 1 2 . 1 1 548 548 GLY CA C 548 46.008 46.008 45.373 0.635 19214 1337 1 2 . 1 1 548 548 GLY H H 548 7.939 7.939 7.479 0.460 19214 1338 1 2 . 1 1 549 549 LEU N N 549 118.437 118.437 118.672 -0.235 19214 1339 1 2 . 1 1 549 549 LEU HA H 549 4.870 4.870 5.011 -0.141 19214 1340 1 2 . 1 1 549 549 LEU C C 549 173.746 173.746 175.392 -1.646 19214 1341 1 2 . 1 1 549 549 LEU CA C 549 53.108 53.108 54.549 -1.441 19214 1342 1 2 . 1 1 549 549 LEU CB C 549 44.752 44.752 46.430 -1.678 19214 1343 1 2 . 1 1 549 549 LEU H H 549 9.279 9.279 7.839 1.440 19214 1344 1 2 . 1 1 550 550 LEU N N 550 127.359 127.359 123.125 4.234 19214 1345 1 2 . 1 1 550 550 LEU HA H 550 4.881 4.881 4.692 0.189 19214 1346 1 2 . 1 1 550 550 LEU C C 550 174.669 174.669 175.669 -1.000 19214 1347 1 2 . 1 1 550 550 LEU CA C 550 54.216 54.216 54.533 -0.317 19214 1348 1 2 . 1 1 550 550 LEU CB C 550 42.954 42.954 43.316 -0.362 19214 1349 1 2 . 1 1 550 550 LEU H H 550 9.068 9.068 7.962 1.106 19214 1350 1 2 . 1 1 551 551 ILE N N 551 126.177 126.177 124.394 1.783 19214 1351 1 2 . 1 1 551 551 ILE HA H 551 5.234 5.234 5.220 0.014 19214 1352 1 2 . 1 1 551 551 ILE C C 551 173.709 173.709 174.223 -0.514 19214 1353 1 2 . 1 1 551 551 ILE CA C 551 59.720 59.720 59.287 0.433 19214 1354 1 2 . 1 1 551 551 ILE CB C 551 42.210 42.210 40.620 1.590 19214 1355 1 2 . 1 1 551 551 ILE H H 551 8.584 8.584 7.987 0.597 19214 1356 1 2 . 1 1 552 552 ALA N N 552 129.345 129.345 128.855 0.490 19214 1357 1 2 . 1 1 552 552 ALA HA H 552 5.194 5.194 4.655 0.539 19214 1358 1 2 . 1 1 552 552 ALA C C 552 175.549 175.549 175.304 0.245 19214 1359 1 2 . 1 1 552 552 ALA CA C 552 49.380 49.380 50.511 -1.131 19214 1360 1 2 . 1 1 552 552 ALA CB C 552 23.712 23.712 20.972 2.740 19214 1361 1 2 . 1 1 552 552 ALA H H 552 9.709 9.709 8.059 1.650 19214 1362 1 2 . 1 1 553 553 HIS N N 553 115.303 115.303 121.853 -6.550 19214 1363 1 2 . 1 1 553 553 HIS HA H 553 6.162 6.162 5.176 0.986 19214 1364 1 2 . 1 1 553 553 HIS C C 553 177.121 177.121 174.651 2.470 19214 1365 1 2 . 1 1 553 553 HIS CA C 553 51.965 51.965 54.308 -2.343 19214 1366 1 2 . 1 1 553 553 HIS CB C 553 36.593 36.593 31.857 4.736 19214 1367 1 2 . 1 1 553 553 HIS H H 553 9.151 9.151 8.043 1.108 19214 1368 1 2 . 1 1 554 554 GLN N N 554 124.107 124.107 124.552 -0.445 19214 1369 1 2 . 1 1 554 554 GLN HA H 554 4.540 4.540 4.325 0.215 19214 1370 1 2 . 1 1 554 554 GLN C C 554 174.320 174.320 175.226 -0.906 19214 1371 1 2 . 1 1 554 554 GLN CA C 554 55.976 55.976 54.621 1.355 19214 1372 1 2 . 1 1 554 554 GLN CB C 554 30.828 30.828 29.378 1.450 19214 1373 1 2 . 1 1 554 554 GLN H H 554 8.647 8.647 8.883 -0.236 19214 1374 1 2 . 1 1 555 555 ALA N N 555 136.582 136.582 130.239 6.343 19214 1375 1 2 . 1 1 555 555 ALA HA H 555 4.617 4.617 4.417 0.200 19214 1376 1 2 . 1 1 555 555 ALA C C 555 177.422 177.422 177.855 -0.433 19214 1377 1 2 . 1 1 555 555 ALA CA C 555 52.406 52.406 53.010 -0.604 19214 1378 1 2 . 1 1 555 555 ALA CB C 555 19.553 19.553 18.034 1.519 19214 1379 1 2 . 1 1 555 555 ALA H H 555 11.550 11.550 8.712 2.838 19214 1380 1 2 . 1 1 556 556 SER N N 556 111.945 111.945 112.735 -0.790 19214 1381 1 2 . 1 1 556 556 SER HA H 556 4.044 4.044 4.539 -0.495 19214 1382 1 2 . 1 1 556 556 SER C C 556 174.912 174.912 173.665 1.247 19214 1383 1 2 . 1 1 556 556 SER CA C 556 61.145 61.145 59.328 1.817 19214 1384 1 2 . 1 1 556 556 SER CB C 556 62.905 62.905 63.645 -0.740 19214 1385 1 2 . 1 1 556 556 SER H H 556 8.083 8.083 8.026 0.057 19214 1386 1 2 . 1 1 557 557 GLU N N 557 117.238 117.238 117.053 0.185 19214 1387 1 2 . 1 1 557 557 GLU CA C 557 53.900 53.900 54.533 -0.633 19214 1388 1 2 . 1 1 557 557 GLU CB C 557 30.171 30.171 29.599 0.572 19214 1389 1 2 . 1 1 557 557 GLU H H 557 7.318 7.318 7.571 -0.253 19214 1390 1 2 . 1 1 558 558 PRO HA H 558 4.194 4.194 4.411 -0.217 19214 1391 1 2 . 1 1 558 558 PRO C C 558 174.855 174.855 175.574 -0.719 19214 1392 1 2 . 1 1 558 558 PRO CA C 558 62.915 62.915 63.024 -0.109 19214 1393 1 2 . 1 1 558 558 PRO CB C 558 32.862 32.862 32.175 0.687 19214 1394 1 2 . 1 1 559 559 ARG N N 559 121.957 121.957 122.001 -0.044 19214 1395 1 2 . 1 1 559 559 ARG HA H 559 3.945 3.945 4.347 -0.402 19214 1396 1 2 . 1 1 559 559 ARG C C 559 171.134 171.134 174.649 -3.515 19214 1397 1 2 . 1 1 559 559 ARG CA C 559 55.538 55.538 53.930 1.608 19214 1398 1 2 . 1 1 559 559 ARG CB C 559 33.169 33.169 31.518 1.651 19214 1399 1 2 . 1 1 559 559 ARG H H 559 7.836 7.836 7.988 -0.152 19214 1400 1 2 . 1 1 560 560 GLN N N 560 126.067 126.067 122.872 3.195 19214 1401 1 2 . 1 1 560 560 GLN HA H 560 4.372 4.372 3.701 0.671 19214 1402 1 2 . 1 1 560 560 GLN C C 560 175.848 175.848 175.452 0.396 19214 1403 1 2 . 1 1 560 560 GLN CA C 560 53.622 53.622 54.928 -1.306 19214 1404 1 2 . 1 1 560 560 GLN CB C 560 27.811 27.811 28.547 -0.736 19214 1405 1 2 . 1 1 560 560 GLN H H 560 8.332 8.332 8.168 0.164 19214 1406 1 2 . 1 1 561 561 TRP N N 561 133.373 133.373 126.554 6.819 19214 1407 1 2 . 1 1 561 561 TRP HA H 561 4.522 4.522 4.469 0.053 19214 1408 1 2 . 1 1 561 561 TRP C C 561 176.141 176.141 176.480 -0.339 19214 1409 1 2 . 1 1 561 561 TRP CA C 561 56.337 56.337 56.931 -0.594 19214 1410 1 2 . 1 1 561 561 TRP CB C 561 28.840 28.840 29.581 -0.741 19214 1411 1 2 . 1 1 561 561 TRP H H 561 7.982 7.982 7.241 0.741 19214 1412 1 2 . 1 1 562 562 GLN N N 562 124.678 124.678 121.182 3.496 19214 1413 1 2 . 1 1 562 562 GLN HA H 562 4.454 4.454 4.560 -0.106 19214 1414 1 2 . 1 1 562 562 GLN C C 562 177.088 177.088 176.942 0.146 19214 1415 1 2 . 1 1 562 562 GLN CA C 562 54.676 54.676 54.419 0.257 19214 1416 1 2 . 1 1 562 562 GLN CB C 562 30.526 30.526 30.884 -0.358 19214 1417 1 2 . 1 1 562 562 GLN H H 562 9.763 9.763 8.488 1.275 19214 1418 1 2 . 1 1 563 563 GLU N N 563 124.545 124.545 126.761 -2.216 19214 1419 1 2 . 1 1 563 563 GLU HA H 563 3.907 3.907 4.034 -0.127 19214 1420 1 2 . 1 1 563 563 GLU C C 563 178.742 178.742 178.039 0.703 19214 1421 1 2 . 1 1 563 563 GLU CA C 563 61.275 61.275 60.479 0.796 19214 1422 1 2 . 1 1 563 563 GLU CB C 563 29.149 29.149 29.626 -0.477 19214 1423 1 2 . 1 1 563 563 GLU H H 563 9.210 9.210 9.090 0.120 19214 1424 1 2 . 1 1 564 564 ILE N N 564 115.275 115.275 117.630 -2.355 19214 1425 1 2 . 1 1 564 564 ILE HA H 564 4.208 4.208 3.922 0.286 19214 1426 1 2 . 1 1 564 564 ILE C C 564 177.462 177.462 177.863 -0.401 19214 1427 1 2 . 1 1 564 564 ILE CA C 564 63.380 63.380 64.528 -1.148 19214 1428 1 2 . 1 1 564 564 ILE CB C 564 37.828 37.828 37.293 0.535 19214 1429 1 2 . 1 1 564 564 ILE H H 564 8.496 8.496 8.067 0.429 19214 1430 1 2 . 1 1 565 565 GLU N N 565 121.174 121.174 121.401 -0.227 19214 1431 1 2 . 1 1 565 565 GLU HA H 565 4.009 4.009 4.154 -0.145 19214 1432 1 2 . 1 1 565 565 GLU C C 565 178.217 178.217 179.550 -1.333 19214 1433 1 2 . 1 1 565 565 GLU CA C 565 58.713 58.713 59.813 -1.100 19214 1434 1 2 . 1 1 565 565 GLU CB C 565 29.685 29.685 29.623 0.062 19214 1435 1 2 . 1 1 565 565 GLU H H 565 6.668 6.668 8.298 -1.630 19214 1436 1 2 . 1 1 566 566 ILE N N 566 119.747 119.747 120.931 -1.184 19214 1437 1 2 . 1 1 566 566 ILE HA H 566 3.387 3.387 3.723 -0.336 19214 1438 1 2 . 1 1 566 566 ILE C C 566 178.911 178.911 177.962 0.949 19214 1439 1 2 . 1 1 566 566 ILE CA C 566 66.484 66.484 65.787 0.697 19214 1440 1 2 . 1 1 566 566 ILE CB C 566 38.410 38.410 37.896 0.514 19214 1441 1 2 . 1 1 566 566 ILE H H 566 8.165 8.165 8.851 -0.686 19214 1442 1 2 . 1 1 567 567 ASP N N 567 120.827 120.827 120.318 0.509 19214 1443 1 2 . 1 1 567 567 ASP HA H 567 4.373 4.373 4.390 -0.017 19214 1444 1 2 . 1 1 567 567 ASP C C 567 179.462 179.462 179.191 0.271 19214 1445 1 2 . 1 1 567 567 ASP CA C 567 57.949 57.949 57.667 0.282 19214 1446 1 2 . 1 1 567 567 ASP CB C 567 40.516 40.516 40.136 0.379 19214 1447 1 2 . 1 1 567 567 ASP H H 567 8.574 8.574 7.845 0.729 19214 1448 1 2 . 1 1 568 568 GLN N N 568 118.625 118.625 119.566 -0.941 19214 1449 1 2 . 1 1 568 568 GLN HA H 568 4.140 4.140 4.098 0.042 19214 1450 1 2 . 1 1 568 568 GLN C C 568 179.204 179.204 178.632 0.572 19214 1451 1 2 . 1 1 568 568 GLN CA C 568 59.294 59.294 58.484 0.810 19214 1452 1 2 . 1 1 568 568 GLN CB C 568 29.558 29.558 28.966 0.592 19214 1453 1 2 . 1 1 568 568 GLN H H 568 8.321 8.321 8.214 0.107 19214 1454 1 2 . 1 1 569 569 PHE N N 569 124.764 124.764 120.731 4.033 19214 1455 1 2 . 1 1 569 569 PHE HA H 569 4.310 4.310 4.203 0.107 19214 1456 1 2 . 1 1 569 569 PHE C C 569 177.387 177.387 177.452 -0.065 19214 1457 1 2 . 1 1 569 569 PHE CA C 569 61.106 61.106 60.472 0.634 19214 1458 1 2 . 1 1 569 569 PHE CB C 569 40.452 40.452 39.124 1.328 19214 1459 1 2 . 1 1 569 569 PHE H H 569 8.999 8.999 8.372 0.627 19214 1460 1 2 . 1 1 570 570 SER N N 570 113.882 113.882 114.693 -0.811 19214 1461 1 2 . 1 1 570 570 SER HA H 570 4.145 4.145 3.929 0.216 19214 1462 1 2 . 1 1 570 570 SER C C 570 177.181 177.181 176.651 0.530 19214 1463 1 2 . 1 1 570 570 SER CA C 570 61.933 61.933 61.890 0.043 19214 1464 1 2 . 1 1 570 570 SER CB C 570 63.049 63.049 62.891 0.158 19214 1465 1 2 . 1 1 570 570 SER H H 570 8.979 8.979 8.491 0.488 19214 1466 1 2 . 1 1 571 571 GLU N N 571 123.710 123.710 121.784 1.926 19214 1467 1 2 . 1 1 571 571 GLU HA H 571 4.146 4.146 3.917 0.229 19214 1468 1 2 . 1 1 571 571 GLU C C 571 179.006 179.006 178.939 0.067 19214 1469 1 2 . 1 1 571 571 GLU CA C 571 59.437 59.437 59.295 0.142 19214 1470 1 2 . 1 1 571 571 GLU CB C 571 29.269 29.269 29.565 -0.296 19214 1471 1 2 . 1 1 571 571 GLU H H 571 8.282 8.282 7.817 0.465 19214 1472 1 2 . 1 1 572 572 LEU N N 572 123.115 123.115 120.558 2.557 19214 1473 1 2 . 1 1 572 572 LEU HA H 572 4.030 4.030 3.966 0.064 19214 1474 1 2 . 1 1 572 572 LEU C C 572 178.204 178.204 178.168 0.036 19214 1475 1 2 . 1 1 572 572 LEU CA C 572 58.186 58.186 58.028 0.158 19214 1476 1 2 . 1 1 572 572 LEU CB C 572 41.303 41.303 41.661 -0.358 19214 1477 1 2 . 1 1 572 572 LEU H H 572 7.722 7.722 7.451 0.271 19214 1478 1 2 . 1 1 573 573 ALA N N 573 120.384 120.384 120.334 0.050 19214 1479 1 2 . 1 1 573 573 ALA HA H 573 3.703 3.703 3.899 -0.196 19214 1480 1 2 . 1 1 573 573 ALA C C 573 180.276 180.276 179.692 0.584 19214 1481 1 2 . 1 1 573 573 ALA CA C 573 55.577 55.577 54.769 0.808 19214 1482 1 2 . 1 1 573 573 ALA CB C 573 19.090 19.090 18.048 1.042 19214 1483 1 2 . 1 1 573 573 ALA H H 573 7.701 7.701 7.306 0.395 19214 1484 1 2 . 1 1 574 574 SER N N 574 116.150 116.150 113.930 2.220 19214 1485 1 2 . 1 1 574 574 SER HA H 574 4.373 4.373 4.131 0.242 19214 1486 1 2 . 1 1 574 574 SER C C 574 177.259 177.259 176.666 0.593 19214 1487 1 2 . 1 1 574 574 SER CA C 574 61.851 61.851 61.647 0.204 19214 1488 1 2 . 1 1 574 574 SER CB C 574 62.460 62.460 62.449 0.011 19214 1489 1 2 . 1 1 574 574 SER H H 574 8.679 8.679 8.243 0.436 19214 1490 1 2 . 1 1 575 575 THR N N 575 120.316 120.316 119.060 1.256 19214 1491 1 2 . 1 1 575 575 THR HA H 575 3.985 3.985 3.921 0.064 19214 1492 1 2 . 1 1 575 575 THR C C 575 177.023 177.023 177.021 0.002 19214 1493 1 2 . 1 1 575 575 THR CA C 575 66.859 66.859 66.752 0.107 19214 1494 1 2 . 1 1 575 575 THR CB C 575 68.370 68.370 68.534 -0.164 19214 1495 1 2 . 1 1 575 575 THR H H 575 8.685 8.685 7.986 0.699 19214 1496 1 2 . 1 1 576 576 GLY N N 576 107.996 107.996 109.299 -1.303 19214 1497 1 2 . 1 1 576 576 GLY C C 576 174.096 174.096 175.274 -1.178 19214 1498 1 2 . 1 1 576 576 GLY CA C 576 47.730 47.730 47.092 0.638 19214 1499 1 2 . 1 1 576 576 GLY H H 576 8.565 8.565 7.726 0.839 19214 1500 1 2 . 1 1 577 577 SER N N 577 118.026 118.026 117.291 0.735 19214 1501 1 2 . 1 1 577 577 SER HA H 577 3.840 3.840 4.008 -0.168 19214 1502 1 2 . 1 1 577 577 SER CA C 577 63.146 63.146 61.058 2.088 19214 1503 1 2 . 1 1 577 577 SER H H 577 8.425 8.425 7.466 0.959 19214 1504 1 2 . 1 1 578 578 LEU HA H 578 3.700 3.700 4.009 -0.309 19214 1505 1 2 . 1 1 578 578 LEU C C 578 179.316 179.316 179.363 -0.047 19214 1506 1 2 . 1 1 578 578 LEU CA C 578 57.995 57.995 57.456 0.539 19214 1507 1 2 . 1 1 578 578 LEU CB C 578 41.739 41.739 41.656 0.083 19214 1508 1 2 . 1 1 579 579 VAL N N 579 122.330 122.330 118.422 3.908 19214 1509 1 2 . 1 1 579 579 VAL CB C 579 31.123 31.123 31.667 -0.544 19214 1510 1 2 . 1 1 579 579 VAL H H 579 8.773 8.773 7.208 1.565 19214 1511 1 2 . 1 1 584 584 HIS HA H 584 4.332 4.332 4.161 0.171 19214 1512 1 2 . 1 1 584 584 HIS C C 584 177.320 177.320 177.517 -0.197 19214 1513 1 2 . 1 1 584 584 HIS CA C 584 59.034 59.034 60.407 -1.373 19214 1514 1 2 . 1 1 584 584 HIS CB C 584 29.981 29.981 29.692 0.289 19214 1515 1 2 . 1 1 585 585 PHE N N 585 118.557 118.557 117.398 1.159 19214 1516 1 2 . 1 1 585 585 PHE HA H 585 4.316 4.316 4.247 0.069 19214 1517 1 2 . 1 1 585 585 PHE C C 585 178.195 178.195 177.421 0.774 19214 1518 1 2 . 1 1 585 585 PHE CA C 585 60.326 60.326 61.601 -1.275 19214 1519 1 2 . 1 1 585 585 PHE CB C 585 38.773 38.773 38.936 -0.163 19214 1520 1 2 . 1 1 585 585 PHE H H 585 8.065 8.065 7.851 0.214 19214 1521 1 2 . 1 1 586 586 LEU N N 586 121.964 121.964 122.874 -0.910 19214 1522 1 2 . 1 1 586 586 LEU HA H 586 4.060 4.060 4.054 0.006 19214 1523 1 2 . 1 1 586 586 LEU C C 586 178.863 178.863 178.852 0.011 19214 1524 1 2 . 1 1 586 586 LEU CA C 586 57.423 57.423 58.088 -0.665 19214 1525 1 2 . 1 1 586 586 LEU CB C 586 42.042 42.042 41.569 0.473 19214 1526 1 2 . 1 1 586 586 LEU H H 586 8.153 8.153 8.896 -0.743 19214 1527 1 2 . 1 1 587 587 GLU N N 587 119.163 119.163 116.787 2.376 19214 1528 1 2 . 1 1 587 587 GLU HA H 587 4.016 4.016 3.873 0.143 19214 1529 1 2 . 1 1 587 587 GLU C C 587 178.330 178.330 179.262 -0.932 19214 1530 1 2 . 1 1 587 587 GLU CA C 587 58.475 58.475 59.456 -0.982 19214 1531 1 2 . 1 1 587 587 GLU CB C 587 29.825 29.825 28.859 0.966 19214 1532 1 2 . 1 1 587 587 GLU H H 587 8.234 8.234 8.677 -0.443 19214 1533 1 2 . 1 1 588 588 GLN N N 588 118.390 118.390 118.752 -0.362 19214 1534 1 2 . 1 1 588 588 GLN HA H 588 4.136 4.136 4.036 0.100 19214 1535 1 2 . 1 1 588 588 GLN C C 588 177.452 177.452 178.286 -0.834 19214 1536 1 2 . 1 1 588 588 GLN CA C 588 57.188 57.188 58.464 -1.276 19214 1537 1 2 . 1 1 588 588 GLN CB C 588 28.932 28.932 28.480 0.452 19214 1538 1 2 . 1 1 588 588 GLN H H 588 8.003 8.003 7.397 0.606 19214 1539 1 2 . 1 1 589 589 THR N N 589 115.070 115.070 113.435 1.635 19214 1540 1 2 . 1 1 589 589 THR HA H 589 4.136 4.136 3.964 0.172 19214 1541 1 2 . 1 1 589 589 THR C C 589 175.620 175.620 176.799 -1.179 19214 1542 1 2 . 1 1 589 589 THR CA C 589 63.840 63.840 65.773 -1.933 19214 1543 1 2 . 1 1 589 589 THR CB C 589 69.380 69.380 68.636 0.744 19214 1544 1 2 . 1 1 589 589 THR H H 589 7.957 7.957 8.419 -0.462 19214 1545 1 2 . 1 1 590 590 ILE N N 590 122.655 122.655 121.439 1.216 19214 1546 1 2 . 1 1 590 590 ILE HA H 590 3.926 3.926 3.714 0.212 19214 1547 1 2 . 1 1 590 590 ILE C C 590 176.914 176.914 177.665 -0.751 19214 1548 1 2 . 1 1 590 590 ILE CA C 590 62.663 62.663 64.168 -1.505 19214 1549 1 2 . 1 1 590 590 ILE CB C 590 38.222 38.222 36.825 1.397 19214 1550 1 2 . 1 1 590 590 ILE H H 590 7.985 7.985 7.959 0.026 19214 1551 1 2 . 1 1 591 591 ALA N N 591 125.105 125.105 122.464 2.641 19214 1552 1 2 . 1 1 591 591 ALA HA H 591 4.181 4.181 4.051 0.130 19214 1553 1 2 . 1 1 591 591 ALA C C 591 178.466 178.466 179.204 -0.738 19214 1554 1 2 . 1 1 591 591 ALA CA C 591 53.502 53.502 54.617 -1.115 19214 1555 1 2 . 1 1 591 591 ALA CB C 591 18.788 18.788 18.846 -0.059 19214 1556 1 2 . 1 1 591 591 ALA H H 591 8.086 8.086 7.813 0.273 19214 1557 1 2 . 1 1 592 592 SER N N 592 113.591 113.591 113.351 0.240 19214 1558 1 2 . 1 1 592 592 SER HA H 592 4.298 4.298 4.310 -0.012 19214 1559 1 2 . 1 1 592 592 SER C C 592 174.886 174.886 175.405 -0.519 19214 1560 1 2 . 1 1 592 592 SER CA C 592 58.939 58.939 59.953 -1.014 19214 1561 1 2 . 1 1 592 592 SER CB C 592 63.738 63.738 63.563 0.175 19214 1562 1 2 . 1 1 592 592 SER H H 592 7.957 7.957 7.783 0.174 19214 1563 1 3 . 1 1 431 431 ALA HA H 431 4.315 4.315 4.150 0.165 19214 1564 1 3 . 1 1 431 431 ALA C C 431 177.643 177.643 176.116 1.527 19214 1565 1 3 . 1 1 431 431 ALA CA C 431 52.380 52.380 52.304 0.076 19214 1566 1 3 . 1 1 431 431 ALA CB C 431 19.190 19.190 19.008 0.182 19214 1567 1 3 . 1 1 432 432 VAL N N 432 120.312 120.312 121.125 -0.813 19214 1568 1 3 . 1 1 432 432 VAL HA H 432 4.019 4.019 4.281 -0.262 19214 1569 1 3 . 1 1 432 432 VAL C C 432 175.763 175.763 177.120 -1.357 19214 1570 1 3 . 1 1 432 432 VAL CA C 432 62.234 62.234 61.162 1.072 19214 1571 1 3 . 1 1 432 432 VAL CB C 432 33.009 33.009 33.270 -0.261 19214 1572 1 3 . 1 1 432 432 VAL H H 432 8.178 8.178 8.182 -0.004 19214 1573 1 3 . 1 1 433 433 GLN N N 433 124.379 124.379 121.739 2.640 19214 1574 1 3 . 1 1 433 433 GLN CB C 433 29.519 29.519 28.101 1.418 19214 1575 1 3 . 1 1 433 433 GLN H H 433 8.502 8.502 8.780 -0.278 19214 1576 1 3 . 1 1 435 435 SER HA H 435 4.069 4.069 4.297 -0.228 19214 1577 1 3 . 1 1 435 435 SER C C 435 178.994 178.994 175.540 3.454 19214 1578 1 3 . 1 1 435 435 SER CA C 435 60.511 60.511 60.663 -0.152 19214 1579 1 3 . 1 1 435 435 SER CB C 435 62.860 62.860 62.871 -0.011 19214 1580 1 3 . 1 1 436 436 GLU N N 436 119.753 119.753 119.492 0.261 19214 1581 1 3 . 1 1 436 436 GLU HA H 436 4.293 4.293 4.389 -0.096 19214 1582 1 3 . 1 1 436 436 GLU C C 436 176.644 176.644 175.144 1.500 19214 1583 1 3 . 1 1 436 436 GLU CA C 436 56.016 56.016 55.473 0.543 19214 1584 1 3 . 1 1 436 436 GLU CB C 436 30.335 30.335 28.800 1.535 19214 1585 1 3 . 1 1 436 436 GLU H H 436 7.805 7.805 8.229 -0.424 19214 1586 1 3 . 1 1 437 437 LEU N N 437 120.618 120.618 120.890 -0.272 19214 1587 1 3 . 1 1 437 437 LEU HA H 437 4.150 4.150 4.141 0.009 19214 1588 1 3 . 1 1 437 437 LEU CA C 437 55.497 55.497 55.834 -0.337 19214 1589 1 3 . 1 1 437 437 LEU CB C 437 43.460 43.460 41.853 1.607 19214 1590 1 3 . 1 1 437 437 LEU H H 437 7.352 7.352 7.114 0.238 19214 1591 1 3 . 1 1 440 440 ARG HA H 440 3.240 3.240 3.961 -0.721 19214 1592 1 3 . 1 1 440 440 ARG C C 440 175.895 175.895 178.008 -2.113 19214 1593 1 3 . 1 1 440 440 ARG CA C 440 60.040 60.040 58.961 1.079 19214 1594 1 3 . 1 1 440 440 ARG CB C 440 30.218 30.218 30.511 -0.293 19214 1595 1 3 . 1 1 441 441 GLN N N 441 117.761 117.761 117.862 -0.101 19214 1596 1 3 . 1 1 441 441 GLN HA H 441 3.894 3.894 4.325 -0.431 19214 1597 1 3 . 1 1 441 441 GLN C C 441 177.959 177.959 177.900 0.059 19214 1598 1 3 . 1 1 441 441 GLN CA C 441 58.904 58.904 58.513 0.391 19214 1599 1 3 . 1 1 441 441 GLN CB C 441 27.387 27.387 28.433 -1.046 19214 1600 1 3 . 1 1 441 441 GLN H H 441 8.075 8.075 8.192 -0.117 19214 1601 1 3 . 1 1 442 442 ALA N N 442 120.325 120.325 123.774 -3.449 19214 1602 1 3 . 1 1 442 442 ALA HA H 442 4.142 4.142 4.110 0.032 19214 1603 1 3 . 1 1 442 442 ALA C C 442 181.535 181.535 179.792 1.743 19214 1604 1 3 . 1 1 442 442 ALA CA C 442 54.843 54.843 55.188 -0.345 19214 1605 1 3 . 1 1 442 442 ALA CB C 442 18.746 18.746 18.241 0.505 19214 1606 1 3 . 1 1 442 442 ALA H H 442 7.859 7.859 7.781 0.078 19214 1607 1 3 . 1 1 443 443 ILE N N 443 120.878 120.878 114.755 6.123 19214 1608 1 3 . 1 1 443 443 ILE HA H 443 3.412 3.412 3.645 -0.233 19214 1609 1 3 . 1 1 443 443 ILE C C 443 177.554 177.554 177.452 0.102 19214 1610 1 3 . 1 1 443 443 ILE CA C 443 65.839 65.839 64.417 1.422 19214 1611 1 3 . 1 1 443 443 ILE CB C 443 37.236 37.236 37.179 0.057 19214 1612 1 3 . 1 1 443 443 ILE H H 443 7.668 7.668 7.363 0.305 19214 1613 1 3 . 1 1 444 444 PHE N N 444 119.157 119.157 120.793 -1.636 19214 1614 1 3 . 1 1 444 444 PHE HA H 444 4.364 4.364 4.230 0.134 19214 1615 1 3 . 1 1 444 444 PHE C C 444 178.054 178.054 177.852 0.202 19214 1616 1 3 . 1 1 444 444 PHE CA C 444 58.952 58.952 61.675 -2.723 19214 1617 1 3 . 1 1 444 444 PHE CB C 444 37.948 37.948 38.934 -0.986 19214 1618 1 3 . 1 1 444 444 PHE H H 444 8.128 8.128 7.314 0.814 19214 1619 1 3 . 1 1 445 445 GLU N N 445 116.382 116.382 119.172 -2.790 19214 1620 1 3 . 1 1 445 445 GLU HA H 445 3.985 3.985 4.053 -0.068 19214 1621 1 3 . 1 1 445 445 GLU C C 445 179.563 179.563 179.542 0.021 19214 1622 1 3 . 1 1 445 445 GLU CA C 445 59.156 59.156 59.624 -0.468 19214 1623 1 3 . 1 1 445 445 GLU CB C 445 29.177 29.177 29.542 -0.365 19214 1624 1 3 . 1 1 445 445 GLU H H 445 8.711 8.711 9.078 -0.367 19214 1625 1 3 . 1 1 446 446 THR N N 446 118.118 118.118 116.457 1.661 19214 1626 1 3 . 1 1 446 446 THR HA H 446 4.066 4.066 4.116 -0.050 19214 1627 1 3 . 1 1 446 446 THR C C 446 175.861 175.861 176.443 -0.582 19214 1628 1 3 . 1 1 446 446 THR CA C 446 67.041 67.041 66.680 0.361 19214 1629 1 3 . 1 1 446 446 THR CB C 446 68.218 68.218 68.727 -0.509 19214 1630 1 3 . 1 1 446 446 THR H H 446 8.105 8.105 7.886 0.219 19214 1631 1 3 . 1 1 447 447 LEU N N 447 121.874 121.874 121.781 0.093 19214 1632 1 3 . 1 1 447 447 LEU HA H 447 3.852 3.852 3.898 -0.046 19214 1633 1 3 . 1 1 447 447 LEU C C 447 179.512 179.512 179.047 0.465 19214 1634 1 3 . 1 1 447 447 LEU CA C 447 58.956 58.956 58.070 0.886 19214 1635 1 3 . 1 1 447 447 LEU CB C 447 42.493 42.493 41.258 1.234 19214 1636 1 3 . 1 1 447 447 LEU H H 447 8.552 8.552 7.479 1.073 19214 1637 1 3 . 1 1 448 448 VAL N N 448 108.313 108.313 118.367 -10.054 19214 1638 1 3 . 1 1 448 448 VAL HA H 448 4.039 4.039 3.743 0.296 19214 1639 1 3 . 1 1 448 448 VAL C C 448 177.323 177.323 176.962 0.361 19214 1640 1 3 . 1 1 448 448 VAL CA C 448 64.562 64.562 65.644 -1.082 19214 1641 1 3 . 1 1 448 448 VAL CB C 448 30.055 30.055 31.248 -1.193 19214 1642 1 3 . 1 1 448 448 VAL H H 448 7.695 7.695 7.561 0.134 19214 1643 1 3 . 1 1 449 449 ALA N N 449 124.683 124.683 122.593 2.090 19214 1644 1 3 . 1 1 449 449 ALA HA H 449 4.246 4.246 4.012 0.234 19214 1645 1 3 . 1 1 449 449 ALA C C 449 181.275 181.275 179.919 1.356 19214 1646 1 3 . 1 1 449 449 ALA CA C 449 55.054 55.054 55.279 -0.225 19214 1647 1 3 . 1 1 449 449 ALA CB C 449 18.528 18.528 18.244 0.284 19214 1648 1 3 . 1 1 449 449 ALA H H 449 7.421 7.421 7.502 -0.081 19214 1649 1 3 . 1 1 450 450 LYS N N 450 118.092 118.092 118.484 -0.392 19214 1650 1 3 . 1 1 450 450 LYS HA H 450 4.170 4.170 4.114 0.056 19214 1651 1 3 . 1 1 450 450 LYS C C 450 180.083 180.083 179.389 0.694 19214 1652 1 3 . 1 1 450 450 LYS CA C 450 58.219 58.219 59.128 -0.909 19214 1653 1 3 . 1 1 450 450 LYS CB C 450 31.697 31.697 32.493 -0.796 19214 1654 1 3 . 1 1 450 450 LYS H H 450 8.806 8.806 8.137 0.669 19214 1655 1 3 . 1 1 451 451 GLY N N 451 108.217 108.217 108.340 -0.123 19214 1656 1 3 . 1 1 451 451 GLY C C 451 173.724 173.724 175.920 -2.196 19214 1657 1 3 . 1 1 451 451 GLY CA C 451 47.965 47.965 47.462 0.503 19214 1658 1 3 . 1 1 451 451 GLY H H 451 8.816 8.816 8.661 0.155 19214 1659 1 3 . 1 1 452 452 ARG N N 452 122.310 122.310 122.220 0.090 19214 1660 1 3 . 1 1 452 452 ARG HA H 452 4.100 4.100 4.072 0.028 19214 1661 1 3 . 1 1 452 452 ARG C C 452 178.908 178.908 178.301 0.607 19214 1662 1 3 . 1 1 452 452 ARG CA C 452 60.504 60.504 59.367 1.137 19214 1663 1 3 . 1 1 452 452 ARG CB C 452 30.208 30.208 30.365 -0.157 19214 1664 1 3 . 1 1 452 452 ARG H H 452 8.190 8.190 8.204 -0.014 19214 1665 1 3 . 1 1 453 453 GLU N N 453 119.749 119.749 118.004 1.745 19214 1666 1 3 . 1 1 453 453 GLU HA H 453 4.076 4.076 4.150 -0.074 19214 1667 1 3 . 1 1 453 453 GLU C C 453 178.638 178.638 178.836 -0.198 19214 1668 1 3 . 1 1 453 453 GLU CA C 453 58.999 58.999 58.750 0.249 19214 1669 1 3 . 1 1 453 453 GLU CB C 453 30.188 30.188 29.806 0.382 19214 1670 1 3 . 1 1 453 453 GLU H H 453 7.872 7.872 7.511 0.361 19214 1671 1 3 . 1 1 454 454 LEU N N 454 119.235 119.235 119.531 -0.296 19214 1672 1 3 . 1 1 454 454 LEU HA H 454 4.157 4.157 4.095 0.062 19214 1673 1 3 . 1 1 454 454 LEU C C 454 178.446 178.446 178.615 -0.169 19214 1674 1 3 . 1 1 454 454 LEU CA C 454 57.868 57.868 57.717 0.151 19214 1675 1 3 . 1 1 454 454 LEU CB C 454 43.001 43.001 42.414 0.587 19214 1676 1 3 . 1 1 454 454 LEU H H 454 8.275 8.275 8.368 -0.093 19214 1677 1 3 . 1 1 455 455 LEU N N 455 112.983 112.983 115.582 -2.599 19214 1678 1 3 . 1 1 455 455 LEU HA H 455 4.406 4.406 4.135 0.271 19214 1679 1 3 . 1 1 455 455 LEU C C 455 177.047 177.047 177.126 -0.079 19214 1680 1 3 . 1 1 455 455 LEU CA C 455 54.730 54.730 55.657 -0.927 19214 1681 1 3 . 1 1 455 455 LEU CB C 455 43.848 43.848 42.323 1.525 19214 1682 1 3 . 1 1 455 455 LEU H H 455 7.393 7.393 8.177 -0.784 19214 1683 1 3 . 1 1 456 456 ALA N N 456 124.090 124.090 118.409 5.681 19214 1684 1 3 . 1 1 456 456 ALA HA H 456 4.239 4.239 4.124 0.115 19214 1685 1 3 . 1 1 456 456 ALA C C 456 177.010 177.010 176.929 0.081 19214 1686 1 3 . 1 1 456 456 ALA CA C 456 52.955 52.955 52.602 0.353 19214 1687 1 3 . 1 1 456 456 ALA CB C 456 16.479 16.479 16.226 0.254 19214 1688 1 3 . 1 1 456 456 ALA H H 456 8.567 8.567 7.616 0.951 19214 1689 1 3 . 1 1 457 457 CYS N N 457 111.388 111.388 115.527 -4.139 19214 1690 1 3 . 1 1 457 457 CYS HA H 457 5.658 5.658 4.523 1.135 19214 1691 1 3 . 1 1 457 457 CYS C C 457 173.094 173.094 174.180 -1.086 19214 1692 1 3 . 1 1 457 457 CYS CA C 457 54.770 54.770 57.035 -2.265 19214 1693 1 3 . 1 1 457 457 CYS CB C 457 29.803 29.803 29.600 0.203 19214 1694 1 3 . 1 1 457 457 CYS H H 457 6.942 6.942 7.604 -0.662 19214 1695 1 3 . 1 1 458 458 ASP N N 458 117.058 117.058 119.462 -2.404 19214 1696 1 3 . 1 1 458 458 ASP HA H 458 4.808 4.808 4.786 0.022 19214 1697 1 3 . 1 1 458 458 ASP C C 458 175.313 175.313 175.563 -0.250 19214 1698 1 3 . 1 1 458 458 ASP CA C 458 57.780 57.780 54.653 3.127 19214 1699 1 3 . 1 1 458 458 ASP CB C 458 42.699 42.699 43.289 -0.590 19214 1700 1 3 . 1 1 458 458 ASP H H 458 7.157 7.157 8.390 -1.233 19214 1701 1 3 . 1 1 459 459 ARG N N 459 117.570 117.570 117.941 -0.371 19214 1702 1 3 . 1 1 459 459 ARG HA H 459 5.396 5.396 4.613 0.783 19214 1703 1 3 . 1 1 459 459 ARG C C 459 174.465 174.465 173.637 0.828 19214 1704 1 3 . 1 1 459 459 ARG CA C 459 55.628 55.628 55.525 0.103 19214 1705 1 3 . 1 1 459 459 ARG CB C 459 35.127 35.127 33.770 1.357 19214 1706 1 3 . 1 1 459 459 ARG H H 459 7.946 7.946 7.527 0.419 19214 1707 1 3 . 1 1 460 460 VAL N N 460 126.878 126.878 122.465 4.413 19214 1708 1 3 . 1 1 460 460 VAL HA H 460 5.410 5.410 4.480 0.930 19214 1709 1 3 . 1 1 460 460 VAL C C 460 174.698 174.698 173.936 0.762 19214 1710 1 3 . 1 1 460 460 VAL CA C 460 61.229 61.229 61.116 0.113 19214 1711 1 3 . 1 1 460 460 VAL CB C 460 35.335 35.335 36.038 -0.703 19214 1712 1 3 . 1 1 460 460 VAL H H 460 9.200 9.200 8.778 0.422 19214 1713 1 3 . 1 1 461 461 ILE N N 461 120.070 120.070 119.767 0.303 19214 1714 1 3 . 1 1 461 461 ILE HA H 461 5.198 5.198 4.777 0.421 19214 1715 1 3 . 1 1 461 461 ILE C C 461 174.647 174.647 173.493 1.154 19214 1716 1 3 . 1 1 461 461 ILE CA C 461 59.112 59.112 59.625 -0.513 19214 1717 1 3 . 1 1 461 461 ILE CB C 461 42.959 42.959 42.021 0.938 19214 1718 1 3 . 1 1 461 461 ILE H H 461 9.247 9.247 8.586 0.661 19214 1719 1 3 . 1 1 462 462 VAL N N 462 118.676 118.676 121.850 -3.174 19214 1720 1 3 . 1 1 462 462 VAL HA H 462 4.668 4.668 4.547 0.121 19214 1721 1 3 . 1 1 462 462 VAL C C 462 173.970 173.970 174.874 -0.904 19214 1722 1 3 . 1 1 462 462 VAL CA C 462 61.528 61.528 61.408 0.120 19214 1723 1 3 . 1 1 462 462 VAL CB C 462 33.865 33.865 33.428 0.437 19214 1724 1 3 . 1 1 462 462 VAL H H 462 7.400 7.400 8.838 -1.438 19214 1725 1 3 . 1 1 463 463 TYR N N 463 131.551 131.551 126.196 5.355 19214 1726 1 3 . 1 1 463 463 TYR HA H 463 4.937 4.937 5.415 -0.478 19214 1727 1 3 . 1 1 463 463 TYR C C 463 173.196 173.196 172.685 0.511 19214 1728 1 3 . 1 1 463 463 TYR CA C 463 55.589 55.589 55.842 -0.253 19214 1729 1 3 . 1 1 463 463 TYR CB C 463 41.849 41.849 42.257 -0.408 19214 1730 1 3 . 1 1 463 463 TYR H H 463 8.782 8.782 7.997 0.785 19214 1731 1 3 . 1 1 464 464 ALA N N 464 127.436 127.436 123.604 3.832 19214 1732 1 3 . 1 1 464 464 ALA HA H 464 4.418 4.418 3.806 0.612 19214 1733 1 3 . 1 1 464 464 ALA C C 464 175.095 175.095 174.346 0.749 19214 1734 1 3 . 1 1 464 464 ALA CA C 464 50.422 50.422 49.542 0.880 19214 1735 1 3 . 1 1 464 464 ALA CB C 464 22.676 22.676 22.364 0.312 19214 1736 1 3 . 1 1 464 464 ALA H H 464 8.295 8.295 7.703 0.592 19214 1737 1 3 . 1 1 465 465 PHE N N 465 116.385 116.385 118.714 -2.329 19214 1738 1 3 . 1 1 465 465 PHE HA H 465 4.434 4.434 4.667 -0.233 19214 1739 1 3 . 1 1 465 465 PHE C C 465 176.189 176.189 175.910 0.279 19214 1740 1 3 . 1 1 465 465 PHE CA C 465 56.771 56.771 57.683 -0.912 19214 1741 1 3 . 1 1 465 465 PHE CB C 465 42.082 42.082 38.851 3.231 19214 1742 1 3 . 1 1 465 465 PHE H H 465 7.426 7.426 8.422 -0.996 19214 1743 1 3 . 1 1 466 466 ASP N N 466 121.980 121.980 124.533 -2.553 19214 1744 1 3 . 1 1 466 466 ASP HA H 466 4.765 4.765 4.424 0.341 19214 1745 1 3 . 1 1 466 466 ASP C C 466 178.212 178.212 177.254 0.958 19214 1746 1 3 . 1 1 466 466 ASP CA C 466 52.007 52.007 53.466 -1.459 19214 1747 1 3 . 1 1 466 466 ASP CB C 466 41.201 41.201 42.146 -0.945 19214 1748 1 3 . 1 1 466 466 ASP H H 466 8.012 8.012 7.955 0.057 19214 1749 1 3 . 1 1 467 467 ASP N N 467 116.915 116.915 118.962 -2.047 19214 1750 1 3 . 1 1 467 467 ASP HA H 467 4.146 4.146 4.455 -0.309 19214 1751 1 3 . 1 1 467 467 ASP C C 467 176.189 176.189 175.245 0.944 19214 1752 1 3 . 1 1 467 467 ASP CA C 467 56.172 56.172 55.066 1.105 19214 1753 1 3 . 1 1 467 467 ASP CB C 467 40.189 40.189 40.351 -0.162 19214 1754 1 3 . 1 1 467 467 ASP H H 467 8.335 8.335 8.629 -0.294 19214 1755 1 3 . 1 1 468 468 ASN N N 468 116.918 116.918 116.412 0.506 19214 1756 1 3 . 1 1 468 468 ASN HA H 468 4.689 4.689 4.767 -0.078 19214 1757 1 3 . 1 1 468 468 ASN C C 468 174.068 174.068 174.924 -0.856 19214 1758 1 3 . 1 1 468 468 ASN CA C 468 52.711 52.711 52.456 0.255 19214 1759 1 3 . 1 1 468 468 ASN CB C 468 39.418 39.418 38.779 0.639 19214 1760 1 3 . 1 1 468 468 ASN H H 468 8.237 8.237 7.938 0.299 19214 1761 1 3 . 1 1 469 469 TYR N N 469 113.180 113.180 115.651 -2.471 19214 1762 1 3 . 1 1 469 469 TYR HA H 469 3.614 3.614 4.170 -0.556 19214 1763 1 3 . 1 1 469 469 TYR C C 469 173.766 173.766 174.370 -0.604 19214 1764 1 3 . 1 1 469 469 TYR CA C 469 60.636 60.636 59.053 1.583 19214 1765 1 3 . 1 1 469 469 TYR CB C 469 34.697 34.697 36.261 -1.564 19214 1766 1 3 . 1 1 469 469 TYR H H 469 7.975 7.975 7.107 0.868 19214 1767 1 3 . 1 1 470 470 VAL N N 470 120.871 120.871 118.832 2.039 19214 1768 1 3 . 1 1 470 470 VAL HA H 470 4.100 4.100 4.336 -0.236 19214 1769 1 3 . 1 1 470 470 VAL CA C 470 63.555 63.555 61.742 1.813 19214 1770 1 3 . 1 1 470 470 VAL CB C 470 31.054 31.054 33.159 -2.105 19214 1771 1 3 . 1 1 470 470 VAL H H 470 8.354 8.354 7.693 0.661 19214 1772 1 3 . 1 1 474 474 VAL HA H 474 4.288 4.288 3.554 0.734 19214 1773 1 3 . 1 1 474 474 VAL C C 474 175.489 175.489 176.017 -0.528 19214 1774 1 3 . 1 1 474 474 VAL CA C 474 61.669 61.669 65.345 -3.676 19214 1775 1 3 . 1 1 474 474 VAL CB C 474 32.382 32.382 31.545 0.837 19214 1776 1 3 . 1 1 475 475 ALA N N 475 118.920 118.920 118.506 0.414 19214 1777 1 3 . 1 1 475 475 ALA HA H 475 4.552 4.552 4.610 -0.058 19214 1778 1 3 . 1 1 475 475 ALA C C 475 174.363 174.363 174.672 -0.309 19214 1779 1 3 . 1 1 475 475 ALA CA C 475 52.023 52.023 51.722 0.301 19214 1780 1 3 . 1 1 475 475 ALA CB C 475 23.339 23.339 21.558 1.781 19214 1781 1 3 . 1 1 475 475 ALA H H 475 7.321 7.321 7.266 0.055 19214 1782 1 3 . 1 1 476 476 GLU N N 476 121.933 121.933 121.782 0.151 19214 1783 1 3 . 1 1 476 476 GLU HA H 476 5.128 5.128 4.588 0.540 19214 1784 1 3 . 1 1 476 476 GLU C C 476 173.921 173.921 175.110 -1.189 19214 1785 1 3 . 1 1 476 476 GLU CA C 476 55.372 55.372 55.693 -0.321 19214 1786 1 3 . 1 1 476 476 GLU CB C 476 35.144 35.144 32.698 2.446 19214 1787 1 3 . 1 1 476 476 GLU H H 476 8.969 8.969 8.547 0.422 19214 1788 1 3 . 1 1 477 477 SER N N 477 121.397 121.397 122.882 -1.485 19214 1789 1 3 . 1 1 477 477 SER HA H 477 4.855 4.855 4.969 -0.114 19214 1790 1 3 . 1 1 477 477 SER C C 477 173.315 173.315 172.634 0.681 19214 1791 1 3 . 1 1 477 477 SER CA C 477 56.600 56.600 57.214 -0.614 19214 1792 1 3 . 1 1 477 477 SER CB C 477 64.022 64.022 64.390 -0.368 19214 1793 1 3 . 1 1 477 477 SER H H 477 9.069 9.069 8.720 0.349 19214 1794 1 3 . 1 1 478 478 VAL N N 478 128.194 128.194 122.509 5.685 19214 1795 1 3 . 1 1 478 478 VAL HA H 478 5.287 5.287 4.516 0.771 19214 1796 1 3 . 1 1 478 478 VAL C C 478 173.093 173.093 174.733 -1.640 19214 1797 1 3 . 1 1 478 478 VAL CA C 478 58.849 58.849 59.814 -0.965 19214 1798 1 3 . 1 1 478 478 VAL CB C 478 35.764 35.764 34.886 0.878 19214 1799 1 3 . 1 1 478 478 VAL H H 478 9.081 9.081 8.327 0.754 19214 1800 1 3 . 1 1 479 479 ALA N N 479 129.566 129.566 130.166 -0.600 19214 1801 1 3 . 1 1 479 479 ALA HA H 479 4.358 4.358 4.358 0.000 19214 1802 1 3 . 1 1 479 479 ALA C C 479 176.760 176.760 177.645 -0.885 19214 1803 1 3 . 1 1 479 479 ALA CA C 479 52.215 52.215 52.364 -0.149 19214 1804 1 3 . 1 1 479 479 ALA CB C 479 20.082 20.082 19.663 0.419 19214 1805 1 3 . 1 1 479 479 ALA H H 479 8.688 8.688 8.379 0.309 19214 1806 1 3 . 1 1 480 480 GLU N N 480 120.391 120.391 120.405 -0.014 19214 1807 1 3 . 1 1 480 480 GLU HA H 480 4.011 4.011 4.078 -0.067 19214 1808 1 3 . 1 1 480 480 GLU C C 480 177.201 177.201 177.484 -0.283 19214 1809 1 3 . 1 1 480 480 GLU CA C 480 58.178 58.178 58.364 -0.186 19214 1810 1 3 . 1 1 480 480 GLU CB C 480 29.829 29.829 29.767 0.062 19214 1811 1 3 . 1 1 480 480 GLU H H 480 8.531 8.531 8.586 -0.055 19214 1812 1 3 . 1 1 481 481 GLY N N 481 110.913 110.913 110.436 0.477 19214 1813 1 3 . 1 1 481 481 GLY C C 481 174.000 174.000 174.092 -0.092 19214 1814 1 3 . 1 1 481 481 GLY CA C 481 44.644 44.644 44.325 0.319 19214 1815 1 3 . 1 1 481 481 GLY H H 481 8.557 8.557 8.704 -0.147 19214 1816 1 3 . 1 1 482 482 TRP N N 482 119.571 119.571 122.467 -2.896 19214 1817 1 3 . 1 1 482 482 TRP HA H 482 5.200 5.200 5.006 0.194 19214 1818 1 3 . 1 1 482 482 TRP CA C 482 53.641 53.641 54.162 -0.521 19214 1819 1 3 . 1 1 482 482 TRP CB C 482 29.556 29.556 29.527 0.029 19214 1820 1 3 . 1 1 482 482 TRP H H 482 7.066 7.066 7.204 -0.138 19214 1821 1 3 . 1 1 484 484 GLN CB C 484 28.700 28.700 28.728 -0.028 19214 1822 1 3 . 1 1 485 485 ALA HA H 485 4.021 4.021 4.193 -0.172 19214 1823 1 3 . 1 1 485 485 ALA C C 485 180.181 180.181 179.112 1.069 19214 1824 1 3 . 1 1 485 485 ALA CA C 485 55.328 55.328 54.347 0.981 19214 1825 1 3 . 1 1 485 485 ALA CB C 485 18.537 18.537 18.777 -0.240 19214 1826 1 3 . 1 1 486 486 ARG N N 486 114.901 114.901 117.934 -3.033 19214 1827 1 3 . 1 1 486 486 ARG HA H 486 4.104 4.104 4.059 0.045 19214 1828 1 3 . 1 1 486 486 ARG C C 486 176.165 176.165 176.681 -0.516 19214 1829 1 3 . 1 1 486 486 ARG CA C 486 58.068 58.068 58.688 -0.619 19214 1830 1 3 . 1 1 486 486 ARG CB C 486 29.624 29.624 29.859 -0.235 19214 1831 1 3 . 1 1 486 486 ARG H H 486 8.998 8.998 8.213 0.785 19214 1832 1 3 . 1 1 487 487 ASP N N 487 117.227 117.227 116.692 0.535 19214 1833 1 3 . 1 1 487 487 ASP HA H 487 4.724 4.724 4.608 0.116 19214 1834 1 3 . 1 1 487 487 ASP C C 487 175.859 175.859 176.235 -0.376 19214 1835 1 3 . 1 1 487 487 ASP CA C 487 54.873 54.873 55.452 -0.579 19214 1836 1 3 . 1 1 487 487 ASP CB C 487 41.415 41.415 41.005 0.410 19214 1837 1 3 . 1 1 487 487 ASP H H 487 7.424 7.424 7.842 -0.418 19214 1838 1 3 . 1 1 488 488 GLN N N 488 117.558 117.558 118.898 -1.340 19214 1839 1 3 . 1 1 488 488 GLN HA H 488 4.471 4.471 4.502 -0.031 19214 1840 1 3 . 1 1 488 488 GLN C C 488 175.010 175.010 174.925 0.085 19214 1841 1 3 . 1 1 488 488 GLN CA C 488 54.037 54.037 54.979 -0.942 19214 1842 1 3 . 1 1 488 488 GLN CB C 488 29.989 29.989 30.069 -0.080 19214 1843 1 3 . 1 1 488 488 GLN H H 488 7.548 7.548 8.001 -0.453 19214 1844 1 3 . 1 1 489 489 VAL N N 489 122.991 122.991 123.925 -0.934 19214 1845 1 3 . 1 1 489 489 VAL HA H 489 4.102 4.102 4.168 -0.066 19214 1846 1 3 . 1 1 489 489 VAL C C 489 175.471 175.471 175.564 -0.093 19214 1847 1 3 . 1 1 489 489 VAL CA C 489 62.947 62.947 60.664 2.283 19214 1848 1 3 . 1 1 489 489 VAL CB C 489 31.473 31.473 32.640 -1.167 19214 1849 1 3 . 1 1 489 489 VAL H H 489 8.426 8.426 8.496 -0.070 19214 1850 1 3 . 1 1 490 490 ILE N N 490 128.401 128.401 127.954 0.447 19214 1851 1 3 . 1 1 490 490 ILE HA H 490 4.310 4.310 3.917 0.393 19214 1852 1 3 . 1 1 490 490 ILE H H 490 8.474 8.474 8.507 -0.033 19214 1853 1 3 . 1 1 491 491 GLU HA H 491 4.361 4.361 4.121 0.240 19214 1854 1 3 . 1 1 491 491 GLU C C 491 174.175 174.175 176.066 -1.891 19214 1855 1 3 . 1 1 491 491 GLU CA C 491 54.874 54.874 57.476 -2.602 19214 1856 1 3 . 1 1 491 491 GLU CB C 491 31.063 31.063 30.039 1.024 19214 1857 1 3 . 1 1 492 492 ASP N N 492 117.270 117.270 121.276 -4.006 19214 1858 1 3 . 1 1 492 492 ASP HA H 492 4.730 4.730 4.680 0.050 19214 1859 1 3 . 1 1 492 492 ASP CA C 492 52.914 52.914 51.883 1.031 19214 1860 1 3 . 1 1 492 492 ASP CB C 492 44.223 44.223 41.161 3.062 19214 1861 1 3 . 1 1 492 492 ASP H H 492 6.870 6.870 8.251 -1.381 19214 1862 1 3 . 1 1 493 493 PRO C C 493 178.700 178.700 176.106 2.594 19214 1863 1 3 . 1 1 493 493 PRO CA C 493 63.429 63.429 61.914 1.515 19214 1864 1 3 . 1 1 493 493 PRO CB C 493 32.064 32.064 32.495 -0.431 19214 1865 1 3 . 1 1 494 494 CYS N N 494 121.800 121.800 122.056 -0.256 19214 1866 1 3 . 1 1 494 494 CYS H H 494 8.010 8.010 8.222 -0.212 19214 1867 1 3 . 1 1 495 495 PHE CB C 495 36.800 36.800 38.706 -1.906 19214 1868 1 3 . 1 1 500 500 VAL C C 500 177.132 177.132 177.906 -0.774 19214 1869 1 3 . 1 1 501 501 GLU N N 501 117.783 117.783 119.049 -1.266 19214 1870 1 3 . 1 1 501 501 GLU C C 501 178.329 178.329 178.112 0.217 19214 1871 1 3 . 1 1 501 501 GLU H H 501 8.169 8.169 8.284 -0.115 19214 1872 1 3 . 1 1 502 502 ALA N N 502 120.877 120.877 122.647 -1.770 19214 1873 1 3 . 1 1 502 502 ALA HA H 502 3.976 3.976 3.849 0.127 19214 1874 1 3 . 1 1 502 502 ALA C C 502 181.216 181.216 179.519 1.697 19214 1875 1 3 . 1 1 502 502 ALA CA C 502 55.113 55.113 54.924 0.189 19214 1876 1 3 . 1 1 502 502 ALA CB C 502 17.660 17.660 17.773 -0.112 19214 1877 1 3 . 1 1 502 502 ALA H H 502 7.982 7.982 7.852 0.130 19214 1878 1 3 . 1 1 503 503 TYR N N 503 116.217 116.217 117.127 -0.910 19214 1879 1 3 . 1 1 503 503 TYR HA H 503 4.440 4.440 4.235 0.205 19214 1880 1 3 . 1 1 503 503 TYR C C 503 178.488 178.488 178.754 -0.266 19214 1881 1 3 . 1 1 503 503 TYR CA C 503 62.517 62.517 60.486 2.030 19214 1882 1 3 . 1 1 503 503 TYR CB C 503 38.834 38.834 37.934 0.900 19214 1883 1 3 . 1 1 503 503 TYR H H 503 7.310 7.310 7.220 0.090 19214 1884 1 3 . 1 1 504 504 ARG N N 504 122.384 122.384 118.007 4.377 19214 1885 1 3 . 1 1 504 504 ARG HA H 504 3.748 3.748 3.999 -0.251 19214 1886 1 3 . 1 1 504 504 ARG C C 504 177.207 177.207 176.412 0.795 19214 1887 1 3 . 1 1 504 504 ARG CA C 504 59.734 59.734 58.714 1.020 19214 1888 1 3 . 1 1 504 504 ARG CB C 504 30.200 30.200 29.884 0.316 19214 1889 1 3 . 1 1 504 504 ARG H H 504 8.424 8.424 7.529 0.895 19214 1890 1 3 . 1 1 505 505 GLN N N 505 112.682 112.682 116.770 -4.088 19214 1891 1 3 . 1 1 505 505 GLN HA H 505 4.220 4.220 4.356 -0.136 19214 1892 1 3 . 1 1 505 505 GLN C C 505 176.342 176.342 176.342 0.000 19214 1893 1 3 . 1 1 505 505 GLN CA C 505 55.587 55.587 55.545 0.042 19214 1894 1 3 . 1 1 505 505 GLN CB C 505 28.591 28.591 29.685 -1.094 19214 1895 1 3 . 1 1 505 505 GLN H H 505 7.436 7.436 7.343 0.093 19214 1896 1 3 . 1 1 506 506 GLY N N 506 107.068 107.068 108.787 -1.719 19214 1897 1 3 . 1 1 506 506 GLY C C 506 174.202 174.202 173.491 0.711 19214 1898 1 3 . 1 1 506 506 GLY CA C 506 45.499 45.499 45.010 0.489 19214 1899 1 3 . 1 1 506 506 GLY H H 506 7.910 7.910 8.108 -0.198 19214 1900 1 3 . 1 1 507 507 ARG N N 507 123.044 123.044 120.641 2.403 19214 1901 1 3 . 1 1 507 507 ARG HA H 507 3.857 3.857 4.310 -0.453 19214 1902 1 3 . 1 1 507 507 ARG C C 507 172.375 172.375 175.639 -3.264 19214 1903 1 3 . 1 1 507 507 ARG CA C 507 57.969 57.969 55.853 2.116 19214 1904 1 3 . 1 1 507 507 ARG CB C 507 30.269 30.269 31.199 -0.930 19214 1905 1 3 . 1 1 507 507 ARG H H 507 7.934 7.934 7.520 0.414 19214 1906 1 3 . 1 1 508 508 ILE N N 508 120.600 120.600 121.605 -1.005 19214 1907 1 3 . 1 1 508 508 ILE HA H 508 4.819 4.819 4.403 0.416 19214 1908 1 3 . 1 1 508 508 ILE C C 508 177.238 177.238 174.695 2.543 19214 1909 1 3 . 1 1 508 508 ILE CA C 508 59.801 59.801 60.044 -0.243 19214 1910 1 3 . 1 1 508 508 ILE CB C 508 41.877 41.877 38.877 3.001 19214 1911 1 3 . 1 1 508 508 ILE H H 508 7.572 7.572 8.297 -0.725 19214 1912 1 3 . 1 1 509 509 GLN N N 509 127.676 127.676 128.229 -0.553 19214 1913 1 3 . 1 1 509 509 GLN HA H 509 4.761 4.761 4.721 0.040 19214 1914 1 3 . 1 1 509 509 GLN C C 509 172.804 172.804 173.752 -0.948 19214 1915 1 3 . 1 1 509 509 GLN CA C 509 54.158 54.158 54.820 -0.662 19214 1916 1 3 . 1 1 509 509 GLN CB C 509 31.078 31.078 31.433 -0.355 19214 1917 1 3 . 1 1 509 509 GLN H H 509 8.894 8.894 8.346 0.548 19214 1918 1 3 . 1 1 510 510 ALA N N 510 132.910 132.910 130.600 2.310 19214 1919 1 3 . 1 1 510 510 ALA HA H 510 4.912 4.912 4.764 0.148 19214 1920 1 3 . 1 1 510 510 ALA C C 510 175.581 175.581 176.643 -1.062 19214 1921 1 3 . 1 1 510 510 ALA CA C 510 51.180 51.180 51.368 -0.188 19214 1922 1 3 . 1 1 510 510 ALA CB C 510 19.939 19.939 20.592 -0.653 19214 1923 1 3 . 1 1 510 510 ALA H H 510 9.110 9.110 8.791 0.319 19214 1924 1 3 . 1 1 511 511 THR N N 511 123.543 123.543 123.403 0.140 19214 1925 1 3 . 1 1 511 511 THR HA H 511 4.636 4.636 4.836 -0.200 19214 1926 1 3 . 1 1 511 511 THR C C 511 174.690 174.690 175.016 -0.326 19214 1927 1 3 . 1 1 511 511 THR CA C 511 61.883 61.883 61.774 0.109 19214 1928 1 3 . 1 1 511 511 THR CB C 511 69.826 69.826 70.040 -0.214 19214 1929 1 3 . 1 1 511 511 THR H H 511 9.525 9.525 8.325 1.200 19214 1930 1 3 . 1 1 512 512 THR N N 512 129.502 129.502 119.537 9.965 19214 1931 1 3 . 1 1 512 512 THR HA H 512 4.524 4.524 3.937 0.587 19214 1932 1 3 . 1 1 512 512 THR C C 512 172.791 172.791 173.559 -0.768 19214 1933 1 3 . 1 1 512 512 THR CA C 512 63.974 63.974 65.456 -1.482 19214 1934 1 3 . 1 1 512 512 THR CB C 512 69.199 69.199 69.149 0.050 19214 1935 1 3 . 1 1 512 512 THR H H 512 9.024 9.024 8.883 0.141 19214 1936 1 3 . 1 1 513 513 ASP N N 513 113.203 113.203 114.859 -1.656 19214 1937 1 3 . 1 1 513 513 ASP HA H 513 4.891 4.891 4.916 -0.025 19214 1938 1 3 . 1 1 513 513 ASP C C 513 179.282 179.282 175.692 3.590 19214 1939 1 3 . 1 1 513 513 ASP CA C 513 51.637 51.637 52.951 -1.314 19214 1940 1 3 . 1 1 513 513 ASP CB C 513 42.591 42.591 42.083 0.508 19214 1941 1 3 . 1 1 513 513 ASP H H 513 7.263 7.263 7.734 -0.471 19214 1942 1 3 . 1 1 514 514 ILE N N 514 122.554 122.554 121.314 1.240 19214 1943 1 3 . 1 1 514 514 ILE HA H 514 3.595 3.595 3.918 -0.323 19214 1944 1 3 . 1 1 514 514 ILE C C 514 175.984 175.984 176.924 -0.940 19214 1945 1 3 . 1 1 514 514 ILE CA C 514 64.552 64.552 63.146 1.406 19214 1946 1 3 . 1 1 514 514 ILE CB C 514 37.796 37.796 37.686 0.110 19214 1947 1 3 . 1 1 514 514 ILE H H 514 9.465 9.465 8.712 0.753 19214 1948 1 3 . 1 1 515 515 PHE N N 515 117.573 117.573 117.782 -0.209 19214 1949 1 3 . 1 1 515 515 PHE HA H 515 4.399 4.399 4.253 0.146 19214 1950 1 3 . 1 1 515 515 PHE C C 515 176.347 176.347 176.243 0.104 19214 1951 1 3 . 1 1 515 515 PHE CA C 515 59.346 59.346 60.081 -0.735 19214 1952 1 3 . 1 1 515 515 PHE CB C 515 37.709 37.709 38.762 -1.053 19214 1953 1 3 . 1 1 515 515 PHE H H 515 7.804 7.804 8.406 -0.602 19214 1954 1 3 . 1 1 516 516 LYS N N 516 118.690 118.690 117.244 1.446 19214 1955 1 3 . 1 1 516 516 LYS HA H 516 4.692 4.692 4.441 0.251 19214 1956 1 3 . 1 1 516 516 LYS C C 516 175.821 175.821 175.614 0.207 19214 1957 1 3 . 1 1 516 516 LYS CA C 516 54.851 54.851 55.459 -0.608 19214 1958 1 3 . 1 1 516 516 LYS CB C 516 33.855 33.855 31.803 2.052 19214 1959 1 3 . 1 1 516 516 LYS H H 516 7.559 7.559 7.668 -0.109 19214 1960 1 3 . 1 1 517 517 ALA N N 517 121.471 121.471 121.336 0.135 19214 1961 1 3 . 1 1 517 517 ALA HA H 517 4.530 4.530 4.538 -0.008 19214 1962 1 3 . 1 1 517 517 ALA CA C 517 52.124 52.124 51.610 0.514 19214 1963 1 3 . 1 1 517 517 ALA CB C 517 20.974 20.974 20.853 0.121 19214 1964 1 3 . 1 1 517 517 ALA H H 517 7.219 7.219 7.244 -0.025 19214 1965 1 3 . 1 1 518 518 GLY C C 518 175.423 175.423 174.779 0.644 19214 1966 1 3 . 1 1 518 518 GLY CA C 518 46.692 46.692 45.307 1.385 19214 1967 1 3 . 1 1 519 519 LEU N N 519 119.857 119.857 118.035 1.822 19214 1968 1 3 . 1 1 519 519 LEU HA H 519 4.348 4.348 4.148 0.200 19214 1969 1 3 . 1 1 519 519 LEU C C 519 177.704 177.704 177.663 0.041 19214 1970 1 3 . 1 1 519 519 LEU CA C 519 54.535 54.535 55.577 -1.042 19214 1971 1 3 . 1 1 519 519 LEU CB C 519 41.174 41.174 42.135 -0.961 19214 1972 1 3 . 1 1 519 519 LEU H H 519 8.531 8.531 7.738 0.793 19214 1973 1 3 . 1 1 520 520 THR N N 520 113.386 113.386 107.080 6.306 19214 1974 1 3 . 1 1 520 520 THR HA H 520 4.260 4.260 3.932 0.328 19214 1975 1 3 . 1 1 520 520 THR CA C 520 61.653 61.653 62.939 -1.286 19214 1976 1 3 . 1 1 520 520 THR CB C 520 71.260 71.260 67.837 3.424 19214 1977 1 3 . 1 1 520 520 THR H H 520 9.352 9.352 8.363 0.989 19214 1978 1 3 . 1 1 522 522 CYS HA H 522 4.385 4.385 4.518 -0.133 19214 1979 1 3 . 1 1 522 522 CYS C C 522 175.903 175.903 174.510 1.393 19214 1980 1 3 . 1 1 522 522 CYS CA C 522 58.664 58.664 57.948 0.716 19214 1981 1 3 . 1 1 522 522 CYS CB C 522 31.785 31.785 26.247 5.538 19214 1982 1 3 . 1 1 523 523 HIS N N 523 125.416 125.416 120.322 5.094 19214 1983 1 3 . 1 1 523 523 HIS HA H 523 4.430 4.430 4.405 0.025 19214 1984 1 3 . 1 1 523 523 HIS C C 523 178.292 178.292 176.142 2.150 19214 1985 1 3 . 1 1 523 523 HIS CA C 523 55.874 55.874 56.370 -0.496 19214 1986 1 3 . 1 1 523 523 HIS CB C 523 33.792 33.792 30.686 3.106 19214 1987 1 3 . 1 1 523 523 HIS H H 523 7.210 7.210 7.808 -0.598 19214 1988 1 3 . 1 1 524 524 LEU N N 524 120.382 120.382 120.392 -0.010 19214 1989 1 3 . 1 1 524 524 LEU HA H 524 3.447 3.447 3.636 -0.189 19214 1990 1 3 . 1 1 524 524 LEU C C 524 179.772 179.772 178.109 1.663 19214 1991 1 3 . 1 1 524 524 LEU CA C 524 58.643 58.643 58.444 0.199 19214 1992 1 3 . 1 1 524 524 LEU CB C 524 41.395 41.395 41.067 0.328 19214 1993 1 3 . 1 1 524 524 LEU H H 524 8.407 8.407 8.530 -0.123 19214 1994 1 3 . 1 1 525 525 ASN N N 525 115.617 115.617 117.014 -1.397 19214 1995 1 3 . 1 1 525 525 ASN HA H 525 4.474 4.474 4.413 0.061 19214 1996 1 3 . 1 1 525 525 ASN C C 525 176.493 176.493 176.702 -0.209 19214 1997 1 3 . 1 1 525 525 ASN CA C 525 55.154 55.154 55.840 -0.686 19214 1998 1 3 . 1 1 525 525 ASN CB C 525 38.056 38.056 38.058 -0.002 19214 1999 1 3 . 1 1 525 525 ASN H H 525 8.540 8.540 8.309 0.231 19214 2000 1 3 . 1 1 526 526 GLN N N 526 116.828 116.828 115.454 1.374 19214 2001 1 3 . 1 1 526 526 GLN HA H 526 4.004 4.004 4.346 -0.342 19214 2002 1 3 . 1 1 526 526 GLN C C 526 175.549 175.549 176.874 -1.325 19214 2003 1 3 . 1 1 526 526 GLN CA C 526 57.483 57.483 57.069 0.414 19214 2004 1 3 . 1 1 526 526 GLN CB C 526 29.433 29.433 29.848 -0.415 19214 2005 1 3 . 1 1 526 526 GLN H H 526 7.492 7.492 7.712 -0.220 19214 2006 1 3 . 1 1 527 527 LEU N N 527 115.200 115.200 118.820 -3.620 19214 2007 1 3 . 1 1 527 527 LEU HA H 527 4.064 4.064 4.547 -0.483 19214 2008 1 3 . 1 1 527 527 LEU C C 527 178.808 178.808 177.564 1.244 19214 2009 1 3 . 1 1 527 527 LEU CA C 527 55.460 55.460 56.076 -0.616 19214 2010 1 3 . 1 1 527 527 LEU CB C 527 43.643 43.643 42.517 1.126 19214 2011 1 3 . 1 1 527 527 LEU H H 527 6.803 6.803 8.277 -1.474 19214 2012 1 3 . 1 1 528 528 ARG N N 528 121.174 121.174 121.108 0.066 19214 2013 1 3 . 1 1 528 528 ARG HA H 528 4.230 4.230 4.447 -0.217 19214 2014 1 3 . 1 1 528 528 ARG CA C 528 61.240 61.240 59.528 1.712 19214 2015 1 3 . 1 1 528 528 ARG CB C 528 28.670 28.670 27.676 0.994 19214 2016 1 3 . 1 1 528 528 ARG H H 528 8.763 8.763 8.791 -0.028 19214 2017 1 3 . 1 1 529 529 PRO HA H 529 4.397 4.397 4.269 0.128 19214 2018 1 3 . 1 1 529 529 PRO C C 529 176.672 176.672 177.778 -1.106 19214 2019 1 3 . 1 1 529 529 PRO CA C 529 65.693 65.693 65.726 -0.033 19214 2020 1 3 . 1 1 529 529 PRO CB C 529 30.983 30.983 31.131 -0.148 19214 2021 1 3 . 1 1 530 530 LEU N N 530 112.952 112.952 114.000 -1.048 19214 2022 1 3 . 1 1 530 530 LEU HA H 530 4.198 4.198 4.235 -0.037 19214 2023 1 3 . 1 1 530 530 LEU C C 530 176.746 176.746 176.179 0.567 19214 2024 1 3 . 1 1 530 530 LEU CA C 530 53.564 53.564 54.763 -1.199 19214 2025 1 3 . 1 1 530 530 LEU CB C 530 42.143 42.143 41.340 0.803 19214 2026 1 3 . 1 1 530 530 LEU H H 530 6.762 6.762 7.930 -1.168 19214 2027 1 3 . 1 1 531 531 LYS N N 531 114.491 114.491 113.959 0.532 19214 2028 1 3 . 1 1 531 531 LYS HA H 531 3.921 3.921 3.944 -0.023 19214 2029 1 3 . 1 1 531 531 LYS C C 531 173.427 173.427 175.627 -2.200 19214 2030 1 3 . 1 1 531 531 LYS CA C 531 56.732 56.732 57.093 -0.361 19214 2031 1 3 . 1 1 531 531 LYS CB C 531 28.329 28.329 29.707 -1.378 19214 2032 1 3 . 1 1 531 531 LYS H H 531 8.319 8.319 7.776 0.543 19214 2033 1 3 . 1 1 532 532 VAL N N 532 114.641 114.641 118.552 -3.911 19214 2034 1 3 . 1 1 532 532 VAL HA H 532 2.631 2.631 3.840 -1.209 19214 2035 1 3 . 1 1 532 532 VAL C C 532 174.660 174.660 175.902 -1.242 19214 2036 1 3 . 1 1 532 532 VAL CA C 532 65.644 65.644 63.829 1.815 19214 2037 1 3 . 1 1 532 532 VAL CB C 532 32.120 32.120 30.857 1.263 19214 2038 1 3 . 1 1 532 532 VAL H H 532 6.295 6.295 7.583 -1.288 19214 2039 1 3 . 1 1 533 533 ARG N N 533 120.970 120.970 126.405 -5.435 19214 2040 1 3 . 1 1 533 533 ARG HA H 533 4.473 4.473 4.476 -0.003 19214 2041 1 3 . 1 1 533 533 ARG C C 533 173.734 173.734 175.359 -1.625 19214 2042 1 3 . 1 1 533 533 ARG CA C 533 55.062 55.062 56.212 -1.150 19214 2043 1 3 . 1 1 533 533 ARG CB C 533 30.163 30.163 31.572 -1.409 19214 2044 1 3 . 1 1 533 533 ARG H H 533 8.446 8.446 7.857 0.589 19214 2045 1 3 . 1 1 534 534 ALA N N 534 123.443 123.443 120.357 3.086 19214 2046 1 3 . 1 1 534 534 ALA HA H 534 4.842 4.842 4.857 -0.015 19214 2047 1 3 . 1 1 534 534 ALA C C 534 176.821 176.821 175.497 1.324 19214 2048 1 3 . 1 1 534 534 ALA CA C 534 51.093 51.093 50.586 0.507 19214 2049 1 3 . 1 1 534 534 ALA CB C 534 24.474 24.474 21.984 2.490 19214 2050 1 3 . 1 1 534 534 ALA H H 534 8.477 8.477 7.472 1.005 19214 2051 1 3 . 1 1 535 535 ASN N N 535 121.981 121.981 121.471 0.510 19214 2052 1 3 . 1 1 535 535 ASN HA H 535 5.709 5.709 5.142 0.567 19214 2053 1 3 . 1 1 535 535 ASN C C 535 171.453 171.453 173.315 -1.862 19214 2054 1 3 . 1 1 535 535 ASN CA C 535 52.188 52.188 52.968 -0.780 19214 2055 1 3 . 1 1 535 535 ASN CB C 535 44.081 44.081 42.149 1.932 19214 2056 1 3 . 1 1 535 535 ASN H H 535 8.910 8.910 8.637 0.273 19214 2057 1 3 . 1 1 536 536 LEU N N 536 132.341 132.341 126.990 5.351 19214 2058 1 3 . 1 1 536 536 LEU HA H 536 5.104 5.104 4.256 0.848 19214 2059 1 3 . 1 1 536 536 LEU C C 536 173.245 173.245 174.021 -0.776 19214 2060 1 3 . 1 1 536 536 LEU CA C 536 53.812 53.812 53.550 0.262 19214 2061 1 3 . 1 1 536 536 LEU CB C 536 41.977 41.977 44.743 -2.766 19214 2062 1 3 . 1 1 536 536 LEU H H 536 9.242 9.242 7.458 1.784 19214 2063 1 3 . 1 1 537 537 VAL N N 537 126.829 126.829 126.233 0.596 19214 2064 1 3 . 1 1 537 537 VAL HA H 537 4.580 4.580 4.772 -0.192 19214 2065 1 3 . 1 1 537 537 VAL C C 537 174.764 174.764 174.257 0.507 19214 2066 1 3 . 1 1 537 537 VAL CA C 537 61.450 61.450 60.621 0.829 19214 2067 1 3 . 1 1 537 537 VAL CB C 537 35.260 35.260 35.856 -0.596 19214 2068 1 3 . 1 1 537 537 VAL H H 537 9.258 9.258 8.249 1.009 19214 2069 1 3 . 1 1 538 538 VAL N N 538 120.280 120.280 118.546 1.734 19214 2070 1 3 . 1 1 538 538 VAL HA H 538 5.240 5.240 4.760 0.480 19214 2071 1 3 . 1 1 538 538 VAL CA C 538 56.785 56.785 57.869 -1.084 19214 2072 1 3 . 1 1 538 538 VAL CB C 538 33.470 33.470 33.800 -0.330 19214 2073 1 3 . 1 1 538 538 VAL H H 538 8.809 8.809 7.971 0.838 19214 2074 1 3 . 1 1 539 539 PRO HA H 539 4.756 4.756 4.538 0.218 19214 2075 1 3 . 1 1 539 539 PRO C C 539 175.826 175.826 175.592 0.234 19214 2076 1 3 . 1 1 539 539 PRO CA C 539 62.754 62.754 62.747 0.007 19214 2077 1 3 . 1 1 539 539 PRO CB C 539 34.400 34.400 32.465 1.935 19214 2078 1 3 . 1 1 540 540 MET N N 540 118.724 118.724 124.282 -5.558 19214 2079 1 3 . 1 1 540 540 MET HA H 540 4.397 4.397 4.824 -0.427 19214 2080 1 3 . 1 1 540 540 MET C C 540 173.839 173.839 173.799 0.040 19214 2081 1 3 . 1 1 540 540 MET CA C 540 55.758 55.758 54.946 0.812 19214 2082 1 3 . 1 1 540 540 MET CB C 540 34.217 34.217 34.803 -0.586 19214 2083 1 3 . 1 1 540 540 MET H H 540 8.360 8.360 7.874 0.486 19214 2084 1 3 . 1 1 541 541 VAL N N 541 125.320 125.320 120.953 4.367 19214 2085 1 3 . 1 1 541 541 VAL HA H 541 5.100 5.100 5.216 -0.116 19214 2086 1 3 . 1 1 541 541 VAL C C 541 174.569 174.569 173.962 0.607 19214 2087 1 3 . 1 1 541 541 VAL CA C 541 60.526 60.526 59.420 1.106 19214 2088 1 3 . 1 1 541 541 VAL CB C 541 34.461 34.461 35.295 -0.834 19214 2089 1 3 . 1 1 541 541 VAL H H 541 8.383 8.383 8.167 0.216 19214 2090 1 3 . 1 1 542 542 ILE N N 542 125.677 125.677 123.150 2.527 19214 2091 1 3 . 1 1 542 542 ILE HA H 542 4.256 4.256 4.230 0.026 19214 2092 1 3 . 1 1 542 542 ILE C C 542 175.815 175.815 175.152 0.663 19214 2093 1 3 . 1 1 542 542 ILE CA C 542 60.441 60.441 60.182 0.259 19214 2094 1 3 . 1 1 542 542 ILE CB C 542 41.219 41.219 40.720 0.499 19214 2095 1 3 . 1 1 542 542 ILE H H 542 8.470 8.470 9.048 -0.578 19214 2096 1 3 . 1 1 543 543 ASP N N 543 130.204 130.204 126.214 3.990 19214 2097 1 3 . 1 1 543 543 ASP HA H 543 4.150 4.150 4.371 -0.221 19214 2098 1 3 . 1 1 543 543 ASP CA C 543 56.014 56.014 55.429 0.585 19214 2099 1 3 . 1 1 543 543 ASP CB C 543 39.515 39.515 40.047 -0.532 19214 2100 1 3 . 1 1 543 543 ASP H H 543 9.650 9.650 8.688 0.962 19214 2101 1 3 . 1 1 544 544 ASP HA H 544 4.180 4.180 4.239 -0.059 19214 2102 1 3 . 1 1 544 544 ASP C C 544 174.473 174.473 175.288 -0.815 19214 2103 1 3 . 1 1 544 544 ASP CA C 544 55.500 55.500 55.394 0.106 19214 2104 1 3 . 1 1 544 544 ASP CB C 544 40.941 40.941 39.979 0.962 19214 2105 1 3 . 1 1 545 545 GLN N N 545 117.251 117.251 116.931 0.320 19214 2106 1 3 . 1 1 545 545 GLN CA C 545 53.533 53.533 54.721 -1.188 19214 2107 1 3 . 1 1 545 545 GLN H H 545 7.868 7.868 7.458 0.410 19214 2108 1 3 . 1 1 546 546 LEU C C 546 174.500 174.500 175.485 -0.985 19214 2109 1 3 . 1 1 547 547 PHE N N 547 130.200 130.200 127.836 2.364 19214 2110 1 3 . 1 1 547 547 PHE HA H 547 4.650 4.650 4.672 -0.022 19214 2111 1 3 . 1 1 547 547 PHE C C 547 176.033 176.033 175.032 1.001 19214 2112 1 3 . 1 1 547 547 PHE CA C 547 59.700 59.700 58.430 1.270 19214 2113 1 3 . 1 1 547 547 PHE CB C 547 40.800 40.800 42.081 -1.281 19214 2114 1 3 . 1 1 547 547 PHE H H 547 9.120 9.120 8.297 0.823 19214 2115 1 3 . 1 1 548 548 GLY N N 548 102.705 102.705 104.956 -2.251 19214 2116 1 3 . 1 1 548 548 GLY C C 548 169.494 169.494 171.468 -1.974 19214 2117 1 3 . 1 1 548 548 GLY CA C 548 46.008 46.008 45.380 0.628 19214 2118 1 3 . 1 1 548 548 GLY H H 548 7.939 7.939 7.437 0.502 19214 2119 1 3 . 1 1 549 549 LEU N N 549 118.437 118.437 118.149 0.288 19214 2120 1 3 . 1 1 549 549 LEU HA H 549 4.870 4.870 4.625 0.245 19214 2121 1 3 . 1 1 549 549 LEU C C 549 173.746 173.746 175.078 -1.332 19214 2122 1 3 . 1 1 549 549 LEU CA C 549 53.108 53.108 54.737 -1.629 19214 2123 1 3 . 1 1 549 549 LEU CB C 549 44.752 44.752 46.227 -1.475 19214 2124 1 3 . 1 1 549 549 LEU H H 549 9.279 9.279 7.728 1.551 19214 2125 1 3 . 1 1 550 550 LEU N N 550 127.359 127.359 123.328 4.031 19214 2126 1 3 . 1 1 550 550 LEU HA H 550 4.881 4.881 4.572 0.309 19214 2127 1 3 . 1 1 550 550 LEU C C 550 174.669 174.669 175.751 -1.082 19214 2128 1 3 . 1 1 550 550 LEU CA C 550 54.216 54.216 54.701 -0.485 19214 2129 1 3 . 1 1 550 550 LEU CB C 550 42.954 42.954 42.240 0.714 19214 2130 1 3 . 1 1 550 550 LEU H H 550 9.068 9.068 8.000 1.068 19214 2131 1 3 . 1 1 551 551 ILE N N 551 126.177 126.177 123.485 2.692 19214 2132 1 3 . 1 1 551 551 ILE HA H 551 5.234 5.234 5.054 0.180 19214 2133 1 3 . 1 1 551 551 ILE C C 551 173.709 173.709 174.451 -0.742 19214 2134 1 3 . 1 1 551 551 ILE CA C 551 59.720 59.720 57.947 1.774 19214 2135 1 3 . 1 1 551 551 ILE CB C 551 42.210 42.210 39.788 2.422 19214 2136 1 3 . 1 1 551 551 ILE H H 551 8.584 8.584 7.896 0.688 19214 2137 1 3 . 1 1 552 552 ALA N N 552 129.345 129.345 128.613 0.732 19214 2138 1 3 . 1 1 552 552 ALA HA H 552 5.194 5.194 4.589 0.605 19214 2139 1 3 . 1 1 552 552 ALA C C 552 175.549 175.549 175.267 0.282 19214 2140 1 3 . 1 1 552 552 ALA CA C 552 49.380 49.380 50.473 -1.093 19214 2141 1 3 . 1 1 552 552 ALA CB C 552 23.712 23.712 20.933 2.779 19214 2142 1 3 . 1 1 552 552 ALA H H 552 9.709 9.709 7.971 1.738 19214 2143 1 3 . 1 1 553 553 HIS N N 553 115.303 115.303 122.025 -6.722 19214 2144 1 3 . 1 1 553 553 HIS HA H 553 6.162 6.162 5.195 0.967 19214 2145 1 3 . 1 1 553 553 HIS C C 553 177.121 177.121 174.801 2.320 19214 2146 1 3 . 1 1 553 553 HIS CA C 553 51.965 51.965 54.554 -2.589 19214 2147 1 3 . 1 1 553 553 HIS CB C 553 36.593 36.593 31.820 4.772 19214 2148 1 3 . 1 1 553 553 HIS H H 553 9.151 9.151 7.997 1.154 19214 2149 1 3 . 1 1 554 554 GLN N N 554 124.107 124.107 124.265 -0.158 19214 2150 1 3 . 1 1 554 554 GLN HA H 554 4.540 4.540 4.359 0.181 19214 2151 1 3 . 1 1 554 554 GLN C C 554 174.320 174.320 175.166 -0.846 19214 2152 1 3 . 1 1 554 554 GLN CA C 554 55.976 55.976 55.334 0.642 19214 2153 1 3 . 1 1 554 554 GLN CB C 554 30.828 30.828 29.018 1.810 19214 2154 1 3 . 1 1 554 554 GLN H H 554 8.647 8.647 8.952 -0.305 19214 2155 1 3 . 1 1 555 555 ALA N N 555 136.582 136.582 129.711 6.871 19214 2156 1 3 . 1 1 555 555 ALA HA H 555 4.617 4.617 4.639 -0.022 19214 2157 1 3 . 1 1 555 555 ALA C C 555 177.422 177.422 177.050 0.372 19214 2158 1 3 . 1 1 555 555 ALA CA C 555 52.406 52.406 52.850 -0.444 19214 2159 1 3 . 1 1 555 555 ALA CB C 555 19.553 19.553 18.202 1.351 19214 2160 1 3 . 1 1 555 555 ALA H H 555 11.550 11.550 8.578 2.972 19214 2161 1 3 . 1 1 556 556 SER N N 556 111.945 111.945 112.278 -0.333 19214 2162 1 3 . 1 1 556 556 SER HA H 556 4.044 4.044 4.352 -0.308 19214 2163 1 3 . 1 1 556 556 SER C C 556 174.912 174.912 173.235 1.677 19214 2164 1 3 . 1 1 556 556 SER CA C 556 61.145 61.145 59.500 1.645 19214 2165 1 3 . 1 1 556 556 SER CB C 556 62.905 62.905 63.974 -1.069 19214 2166 1 3 . 1 1 556 556 SER H H 556 8.083 8.083 8.229 -0.146 19214 2167 1 3 . 1 1 557 557 GLU N N 557 117.238 117.238 115.399 1.839 19214 2168 1 3 . 1 1 557 557 GLU CA C 557 53.900 53.900 54.662 -0.762 19214 2169 1 3 . 1 1 557 557 GLU CB C 557 30.171 30.171 30.178 -0.007 19214 2170 1 3 . 1 1 557 557 GLU H H 557 7.318 7.318 7.457 -0.139 19214 2171 1 3 . 1 1 558 558 PRO HA H 558 4.194 4.194 4.416 -0.222 19214 2172 1 3 . 1 1 558 558 PRO C C 558 174.855 174.855 175.757 -0.902 19214 2173 1 3 . 1 1 558 558 PRO CA C 558 62.915 62.915 63.066 -0.151 19214 2174 1 3 . 1 1 558 558 PRO CB C 558 32.862 32.862 32.291 0.571 19214 2175 1 3 . 1 1 559 559 ARG N N 559 121.957 121.957 121.667 0.290 19214 2176 1 3 . 1 1 559 559 ARG HA H 559 3.945 3.945 4.352 -0.407 19214 2177 1 3 . 1 1 559 559 ARG C C 559 171.134 171.134 174.581 -3.447 19214 2178 1 3 . 1 1 559 559 ARG CA C 559 55.538 55.538 53.960 1.578 19214 2179 1 3 . 1 1 559 559 ARG CB C 559 33.169 33.169 31.627 1.542 19214 2180 1 3 . 1 1 559 559 ARG H H 559 7.836 7.836 7.950 -0.114 19214 2181 1 3 . 1 1 560 560 GLN N N 560 126.067 126.067 122.355 3.712 19214 2182 1 3 . 1 1 560 560 GLN HA H 560 4.372 4.372 3.684 0.688 19214 2183 1 3 . 1 1 560 560 GLN C C 560 175.848 175.848 175.366 0.482 19214 2184 1 3 . 1 1 560 560 GLN CA C 560 53.622 53.622 54.881 -1.259 19214 2185 1 3 . 1 1 560 560 GLN CB C 560 27.811 27.811 28.729 -0.918 19214 2186 1 3 . 1 1 560 560 GLN H H 560 8.332 8.332 8.156 0.176 19214 2187 1 3 . 1 1 561 561 TRP N N 561 133.373 133.373 127.213 6.160 19214 2188 1 3 . 1 1 561 561 TRP HA H 561 4.522 4.522 4.445 0.077 19214 2189 1 3 . 1 1 561 561 TRP C C 561 176.141 176.141 175.589 0.552 19214 2190 1 3 . 1 1 561 561 TRP CA C 561 56.337 56.337 56.831 -0.494 19214 2191 1 3 . 1 1 561 561 TRP CB C 561 28.840 28.840 29.634 -0.794 19214 2192 1 3 . 1 1 561 561 TRP H H 561 7.982 7.982 7.132 0.850 19214 2193 1 3 . 1 1 562 562 GLN N N 562 124.678 124.678 120.968 3.710 19214 2194 1 3 . 1 1 562 562 GLN HA H 562 4.454 4.454 4.476 -0.022 19214 2195 1 3 . 1 1 562 562 GLN C C 562 177.088 177.088 177.206 -0.118 19214 2196 1 3 . 1 1 562 562 GLN CA C 562 54.676 54.676 54.652 0.024 19214 2197 1 3 . 1 1 562 562 GLN CB C 562 30.526 30.526 29.766 0.760 19214 2198 1 3 . 1 1 562 562 GLN H H 562 9.763 9.763 8.445 1.318 19214 2199 1 3 . 1 1 563 563 GLU N N 563 124.545 124.545 126.347 -1.802 19214 2200 1 3 . 1 1 563 563 GLU HA H 563 3.907 3.907 4.021 -0.114 19214 2201 1 3 . 1 1 563 563 GLU C C 563 178.742 178.742 178.044 0.698 19214 2202 1 3 . 1 1 563 563 GLU CA C 563 61.275 61.275 60.440 0.835 19214 2203 1 3 . 1 1 563 563 GLU CB C 563 29.149 29.149 29.656 -0.507 19214 2204 1 3 . 1 1 563 563 GLU H H 563 9.210 9.210 9.083 0.127 19214 2205 1 3 . 1 1 564 564 ILE N N 564 115.275 115.275 114.954 0.321 19214 2206 1 3 . 1 1 564 564 ILE HA H 564 4.208 4.208 3.896 0.312 19214 2207 1 3 . 1 1 564 564 ILE C C 564 177.462 177.462 178.065 -0.603 19214 2208 1 3 . 1 1 564 564 ILE CA C 564 63.380 63.380 64.183 -0.803 19214 2209 1 3 . 1 1 564 564 ILE CB C 564 37.828 37.828 37.238 0.590 19214 2210 1 3 . 1 1 564 564 ILE H H 564 8.496 8.496 8.071 0.425 19214 2211 1 3 . 1 1 565 565 GLU N N 565 121.174 121.174 120.932 0.242 19214 2212 1 3 . 1 1 565 565 GLU HA H 565 4.009 4.009 4.193 -0.184 19214 2213 1 3 . 1 1 565 565 GLU C C 565 178.217 178.217 179.366 -1.149 19214 2214 1 3 . 1 1 565 565 GLU CA C 565 58.713 58.713 59.492 -0.779 19214 2215 1 3 . 1 1 565 565 GLU CB C 565 29.685 29.685 29.019 0.666 19214 2216 1 3 . 1 1 565 565 GLU H H 565 6.668 6.668 7.693 -1.025 19214 2217 1 3 . 1 1 566 566 ILE N N 566 119.747 119.747 120.972 -1.225 19214 2218 1 3 . 1 1 566 566 ILE HA H 566 3.387 3.387 3.695 -0.308 19214 2219 1 3 . 1 1 566 566 ILE C C 566 178.911 178.911 178.039 0.872 19214 2220 1 3 . 1 1 566 566 ILE CA C 566 66.484 66.484 65.686 0.798 19214 2221 1 3 . 1 1 566 566 ILE CB C 566 38.410 38.410 37.726 0.684 19214 2222 1 3 . 1 1 566 566 ILE H H 566 8.165 8.165 8.630 -0.465 19214 2223 1 3 . 1 1 567 567 ASP N N 567 120.827 120.827 120.275 0.552 19214 2224 1 3 . 1 1 567 567 ASP HA H 567 4.373 4.373 4.407 -0.034 19214 2225 1 3 . 1 1 567 567 ASP C C 567 179.462 179.462 179.149 0.313 19214 2226 1 3 . 1 1 567 567 ASP CA C 567 57.949 57.949 57.598 0.351 19214 2227 1 3 . 1 1 567 567 ASP CB C 567 40.516 40.516 40.134 0.382 19214 2228 1 3 . 1 1 567 567 ASP H H 567 8.574 8.574 7.847 0.727 19214 2229 1 3 . 1 1 568 568 GLN N N 568 118.625 118.625 119.651 -1.026 19214 2230 1 3 . 1 1 568 568 GLN HA H 568 4.140 4.140 4.070 0.070 19214 2231 1 3 . 1 1 568 568 GLN C C 568 179.204 179.204 178.655 0.549 19214 2232 1 3 . 1 1 568 568 GLN CA C 568 59.294 59.294 58.765 0.529 19214 2233 1 3 . 1 1 568 568 GLN CB C 568 29.558 29.558 28.934 0.624 19214 2234 1 3 . 1 1 568 568 GLN H H 568 8.321 8.321 8.367 -0.046 19214 2235 1 3 . 1 1 569 569 PHE N N 569 124.764 124.764 120.521 4.243 19214 2236 1 3 . 1 1 569 569 PHE HA H 569 4.310 4.310 4.193 0.117 19214 2237 1 3 . 1 1 569 569 PHE C C 569 177.387 177.387 177.479 -0.092 19214 2238 1 3 . 1 1 569 569 PHE CA C 569 61.106 61.106 60.490 0.616 19214 2239 1 3 . 1 1 569 569 PHE CB C 569 40.452 40.452 39.097 1.355 19214 2240 1 3 . 1 1 569 569 PHE H H 569 8.999 8.999 8.629 0.370 19214 2241 1 3 . 1 1 570 570 SER N N 570 113.882 113.882 115.129 -1.247 19214 2242 1 3 . 1 1 570 570 SER HA H 570 4.145 4.145 3.889 0.256 19214 2243 1 3 . 1 1 570 570 SER C C 570 177.181 177.181 176.471 0.710 19214 2244 1 3 . 1 1 570 570 SER CA C 570 61.933 61.933 61.971 -0.038 19214 2245 1 3 . 1 1 570 570 SER CB C 570 63.049 63.049 63.019 0.030 19214 2246 1 3 . 1 1 570 570 SER H H 570 8.979 8.979 8.409 0.570 19214 2247 1 3 . 1 1 571 571 GLU N N 571 123.710 123.710 121.374 2.336 19214 2248 1 3 . 1 1 571 571 GLU HA H 571 4.146 4.146 3.982 0.164 19214 2249 1 3 . 1 1 571 571 GLU C C 571 179.006 179.006 179.205 -0.199 19214 2250 1 3 . 1 1 571 571 GLU CA C 571 59.437 59.437 59.261 0.175 19214 2251 1 3 . 1 1 571 571 GLU CB C 571 29.269 29.269 29.339 -0.070 19214 2252 1 3 . 1 1 571 571 GLU H H 571 8.282 8.282 8.006 0.276 19214 2253 1 3 . 1 1 572 572 LEU N N 572 123.115 123.115 121.013 2.102 19214 2254 1 3 . 1 1 572 572 LEU HA H 572 4.030 4.030 3.960 0.070 19214 2255 1 3 . 1 1 572 572 LEU C C 572 178.204 178.204 178.222 -0.018 19214 2256 1 3 . 1 1 572 572 LEU CA C 572 58.186 58.186 57.897 0.289 19214 2257 1 3 . 1 1 572 572 LEU CB C 572 41.303 41.303 41.567 -0.264 19214 2258 1 3 . 1 1 572 572 LEU H H 572 7.722 7.722 7.609 0.113 19214 2259 1 3 . 1 1 573 573 ALA N N 573 120.384 120.384 120.486 -0.102 19214 2260 1 3 . 1 1 573 573 ALA HA H 573 3.703 3.703 3.885 -0.182 19214 2261 1 3 . 1 1 573 573 ALA C C 573 180.276 180.276 179.543 0.733 19214 2262 1 3 . 1 1 573 573 ALA CA C 573 55.577 55.577 54.707 0.870 19214 2263 1 3 . 1 1 573 573 ALA CB C 573 19.090 19.090 18.036 1.054 19214 2264 1 3 . 1 1 573 573 ALA H H 573 7.701 7.701 7.314 0.387 19214 2265 1 3 . 1 1 574 574 SER N N 574 116.150 116.150 113.784 2.366 19214 2266 1 3 . 1 1 574 574 SER HA H 574 4.373 4.373 4.143 0.230 19214 2267 1 3 . 1 1 574 574 SER C C 574 177.259 177.259 176.387 0.872 19214 2268 1 3 . 1 1 574 574 SER CA C 574 61.851 61.851 61.565 0.286 19214 2269 1 3 . 1 1 574 574 SER CB C 574 62.460 62.460 62.825 -0.365 19214 2270 1 3 . 1 1 574 574 SER H H 574 8.679 8.679 8.211 0.468 19214 2271 1 3 . 1 1 575 575 THR N N 575 120.316 120.316 117.818 2.498 19214 2272 1 3 . 1 1 575 575 THR HA H 575 3.985 3.985 4.042 -0.057 19214 2273 1 3 . 1 1 575 575 THR C C 575 177.023 177.023 176.601 0.422 19214 2274 1 3 . 1 1 575 575 THR CA C 575 66.859 66.859 67.185 -0.326 19214 2275 1 3 . 1 1 575 575 THR CB C 575 68.370 68.370 68.490 -0.120 19214 2276 1 3 . 1 1 575 575 THR H H 575 8.685 8.685 7.805 0.880 19214 2277 1 3 . 1 1 576 576 GLY N N 576 107.996 107.996 108.799 -0.803 19214 2278 1 3 . 1 1 576 576 GLY C C 576 174.096 174.096 175.843 -1.747 19214 2279 1 3 . 1 1 576 576 GLY CA C 576 47.730 47.730 47.324 0.406 19214 2280 1 3 . 1 1 576 576 GLY H H 576 8.565 8.565 7.689 0.876 19214 2281 1 3 . 1 1 577 577 SER N N 577 118.026 118.026 118.068 -0.042 19214 2282 1 3 . 1 1 577 577 SER HA H 577 3.840 3.840 4.016 -0.176 19214 2283 1 3 . 1 1 577 577 SER CA C 577 63.146 63.146 62.387 0.759 19214 2284 1 3 . 1 1 577 577 SER H H 577 8.425 8.425 7.423 1.002 19214 2285 1 3 . 1 1 578 578 LEU HA H 578 3.700 3.700 3.981 -0.281 19214 2286 1 3 . 1 1 578 578 LEU C C 578 179.316 179.316 179.043 0.273 19214 2287 1 3 . 1 1 578 578 LEU CA C 578 57.995 57.995 57.604 0.391 19214 2288 1 3 . 1 1 578 578 LEU CB C 578 41.739 41.739 41.428 0.311 19214 2289 1 3 . 1 1 579 579 VAL N N 579 122.330 122.330 118.368 3.962 19214 2290 1 3 . 1 1 579 579 VAL CB C 579 31.123 31.123 31.501 -0.378 19214 2291 1 3 . 1 1 579 579 VAL H H 579 8.773 8.773 7.059 1.714 19214 2292 1 3 . 1 1 584 584 HIS HA H 584 4.332 4.332 4.221 0.111 19214 2293 1 3 . 1 1 584 584 HIS C C 584 177.320 177.320 177.526 -0.206 19214 2294 1 3 . 1 1 584 584 HIS CA C 584 59.034 59.034 59.890 -0.856 19214 2295 1 3 . 1 1 584 584 HIS CB C 584 29.981 29.981 29.455 0.526 19214 2296 1 3 . 1 1 585 585 PHE N N 585 118.557 118.557 118.829 -0.272 19214 2297 1 3 . 1 1 585 585 PHE HA H 585 4.316 4.316 4.232 0.084 19214 2298 1 3 . 1 1 585 585 PHE C C 585 178.195 178.195 176.970 1.225 19214 2299 1 3 . 1 1 585 585 PHE CA C 585 60.326 60.326 60.953 -0.627 19214 2300 1 3 . 1 1 585 585 PHE CB C 585 38.773 38.773 39.294 -0.521 19214 2301 1 3 . 1 1 585 585 PHE H H 585 8.065 8.065 7.659 0.406 19214 2302 1 3 . 1 1 586 586 LEU N N 586 121.964 121.964 122.661 -0.697 19214 2303 1 3 . 1 1 586 586 LEU HA H 586 4.060 4.060 3.919 0.141 19214 2304 1 3 . 1 1 586 586 LEU C C 586 178.863 178.863 178.496 0.367 19214 2305 1 3 . 1 1 586 586 LEU CA C 586 57.423 57.423 57.808 -0.385 19214 2306 1 3 . 1 1 586 586 LEU CB C 586 42.042 42.042 41.699 0.343 19214 2307 1 3 . 1 1 586 586 LEU H H 586 8.153 8.153 8.605 -0.452 19214 2308 1 3 . 1 1 587 587 GLU N N 587 119.163 119.163 117.267 1.896 19214 2309 1 3 . 1 1 587 587 GLU HA H 587 4.016 4.016 3.757 0.259 19214 2310 1 3 . 1 1 587 587 GLU C C 587 178.330 178.330 179.041 -0.711 19214 2311 1 3 . 1 1 587 587 GLU CA C 587 58.475 58.475 59.539 -1.064 19214 2312 1 3 . 1 1 587 587 GLU CB C 587 29.825 29.825 29.068 0.757 19214 2313 1 3 . 1 1 587 587 GLU H H 587 8.234 8.234 8.471 -0.237 19214 2314 1 3 . 1 1 588 588 GLN N N 588 118.390 118.390 117.543 0.847 19214 2315 1 3 . 1 1 588 588 GLN HA H 588 4.136 4.136 3.979 0.157 19214 2316 1 3 . 1 1 588 588 GLN C C 588 177.452 177.452 178.296 -0.844 19214 2317 1 3 . 1 1 588 588 GLN CA C 588 57.188 57.188 58.616 -1.428 19214 2318 1 3 . 1 1 588 588 GLN CB C 588 28.932 28.932 27.853 1.079 19214 2319 1 3 . 1 1 588 588 GLN H H 588 8.003 8.003 7.305 0.698 19214 2320 1 3 . 1 1 589 589 THR N N 589 115.070 115.070 114.212 0.858 19214 2321 1 3 . 1 1 589 589 THR HA H 589 4.136 4.136 3.881 0.255 19214 2322 1 3 . 1 1 589 589 THR C C 589 175.620 175.620 177.060 -1.440 19214 2323 1 3 . 1 1 589 589 THR CA C 589 63.840 63.840 65.584 -1.744 19214 2324 1 3 . 1 1 589 589 THR CB C 589 69.380 69.380 68.188 1.192 19214 2325 1 3 . 1 1 589 589 THR H H 589 7.957 7.957 7.854 0.103 19214 2326 1 3 . 1 1 590 590 ILE N N 590 122.655 122.655 123.365 -0.710 19214 2327 1 3 . 1 1 590 590 ILE HA H 590 3.926 3.926 3.646 0.280 19214 2328 1 3 . 1 1 590 590 ILE C C 590 176.914 176.914 178.091 -1.177 19214 2329 1 3 . 1 1 590 590 ILE CA C 590 62.663 62.663 64.728 -2.065 19214 2330 1 3 . 1 1 590 590 ILE CB C 590 38.222 38.222 37.212 1.010 19214 2331 1 3 . 1 1 590 590 ILE H H 590 7.985 7.985 7.786 0.199 19214 2332 1 3 . 1 1 591 591 ALA N N 591 125.105 125.105 121.668 3.437 19214 2333 1 3 . 1 1 591 591 ALA HA H 591 4.181 4.181 4.053 0.128 19214 2334 1 3 . 1 1 591 591 ALA C C 591 178.466 178.466 178.861 -0.395 19214 2335 1 3 . 1 1 591 591 ALA CA C 591 53.502 53.502 54.577 -1.075 19214 2336 1 3 . 1 1 591 591 ALA CB C 591 18.788 18.788 18.579 0.209 19214 2337 1 3 . 1 1 591 591 ALA H H 591 8.086 8.086 7.735 0.351 19214 2338 1 3 . 1 1 592 592 SER N N 592 113.591 113.591 112.936 0.655 19214 2339 1 3 . 1 1 592 592 SER HA H 592 4.298 4.298 4.291 0.007 19214 2340 1 3 . 1 1 592 592 SER C C 592 174.886 174.886 174.848 0.038 19214 2341 1 3 . 1 1 592 592 SER CA C 592 58.939 58.939 60.187 -1.248 19214 2342 1 3 . 1 1 592 592 SER CB C 592 63.738 63.738 63.801 -0.063 19214 2343 1 3 . 1 1 592 592 SER H H 592 7.957 7.957 7.686 0.271 19214 2344 1 4 . 1 1 431 431 ALA HA H 431 4.315 4.315 4.120 0.195 19214 2345 1 4 . 1 1 431 431 ALA C C 431 177.643 177.643 178.496 -0.853 19214 2346 1 4 . 1 1 431 431 ALA CA C 431 52.380 52.380 51.924 0.456 19214 2347 1 4 . 1 1 431 431 ALA CB C 431 19.190 19.190 18.817 0.374 19214 2348 1 4 . 1 1 432 432 VAL N N 432 120.312 120.312 120.535 -0.223 19214 2349 1 4 . 1 1 432 432 VAL HA H 432 4.019 4.019 3.576 0.443 19214 2350 1 4 . 1 1 432 432 VAL C C 432 175.763 175.763 177.231 -1.468 19214 2351 1 4 . 1 1 432 432 VAL CA C 432 62.234 62.234 64.317 -2.083 19214 2352 1 4 . 1 1 432 432 VAL CB C 432 33.009 33.009 31.793 1.216 19214 2353 1 4 . 1 1 432 432 VAL H H 432 8.178 8.178 8.591 -0.413 19214 2354 1 4 . 1 1 433 433 GLN N N 433 124.379 124.379 119.850 4.529 19214 2355 1 4 . 1 1 433 433 GLN CB C 433 29.519 29.519 28.579 0.940 19214 2356 1 4 . 1 1 433 433 GLN H H 433 8.502 8.502 8.471 0.031 19214 2357 1 4 . 1 1 435 435 SER HA H 435 4.069 4.069 4.130 -0.061 19214 2358 1 4 . 1 1 435 435 SER C C 435 178.994 178.994 175.266 3.728 19214 2359 1 4 . 1 1 435 435 SER CA C 435 60.511 60.511 61.673 -1.162 19214 2360 1 4 . 1 1 435 435 SER CB C 435 62.860 62.860 63.102 -0.242 19214 2361 1 4 . 1 1 436 436 GLU N N 436 119.753 119.753 119.923 -0.170 19214 2362 1 4 . 1 1 436 436 GLU HA H 436 4.293 4.293 4.154 0.139 19214 2363 1 4 . 1 1 436 436 GLU C C 436 176.644 176.644 176.773 -0.129 19214 2364 1 4 . 1 1 436 436 GLU CA C 436 56.016 56.016 57.244 -1.228 19214 2365 1 4 . 1 1 436 436 GLU CB C 436 30.335 30.335 30.029 0.306 19214 2366 1 4 . 1 1 436 436 GLU H H 436 7.805 7.805 7.646 0.159 19214 2367 1 4 . 1 1 437 437 LEU N N 437 120.618 120.618 120.368 0.250 19214 2368 1 4 . 1 1 437 437 LEU HA H 437 4.150 4.150 4.437 -0.287 19214 2369 1 4 . 1 1 437 437 LEU CA C 437 55.497 55.497 54.863 0.634 19214 2370 1 4 . 1 1 437 437 LEU CB C 437 43.460 43.460 40.547 2.913 19214 2371 1 4 . 1 1 437 437 LEU H H 437 7.352 7.352 7.558 -0.206 19214 2372 1 4 . 1 1 440 440 ARG HA H 440 3.240 3.240 3.974 -0.734 19214 2373 1 4 . 1 1 440 440 ARG C C 440 175.895 175.895 178.008 -2.113 19214 2374 1 4 . 1 1 440 440 ARG CA C 440 60.040 60.040 59.379 0.661 19214 2375 1 4 . 1 1 440 440 ARG CB C 440 30.218 30.218 29.876 0.342 19214 2376 1 4 . 1 1 441 441 GLN N N 441 117.761 117.761 118.654 -0.893 19214 2377 1 4 . 1 1 441 441 GLN HA H 441 3.894 3.894 4.314 -0.420 19214 2378 1 4 . 1 1 441 441 GLN C C 441 177.959 177.959 178.559 -0.600 19214 2379 1 4 . 1 1 441 441 GLN CA C 441 58.904 58.904 58.776 0.128 19214 2380 1 4 . 1 1 441 441 GLN CB C 441 27.387 27.387 28.113 -0.726 19214 2381 1 4 . 1 1 441 441 GLN H H 441 8.075 8.075 8.546 -0.471 19214 2382 1 4 . 1 1 442 442 ALA N N 442 120.325 120.325 123.870 -3.545 19214 2383 1 4 . 1 1 442 442 ALA HA H 442 4.142 4.142 4.025 0.117 19214 2384 1 4 . 1 1 442 442 ALA C C 442 181.535 181.535 179.446 2.089 19214 2385 1 4 . 1 1 442 442 ALA CA C 442 54.843 54.843 55.658 -0.815 19214 2386 1 4 . 1 1 442 442 ALA CB C 442 18.746 18.746 18.360 0.386 19214 2387 1 4 . 1 1 442 442 ALA H H 442 7.859 7.859 8.669 -0.810 19214 2388 1 4 . 1 1 443 443 ILE N N 443 120.878 120.878 114.566 6.312 19214 2389 1 4 . 1 1 443 443 ILE HA H 443 3.412 3.412 3.614 -0.202 19214 2390 1 4 . 1 1 443 443 ILE C C 443 177.554 177.554 177.735 -0.181 19214 2391 1 4 . 1 1 443 443 ILE CA C 443 65.839 65.839 64.478 1.361 19214 2392 1 4 . 1 1 443 443 ILE CB C 443 37.236 37.236 37.226 0.010 19214 2393 1 4 . 1 1 443 443 ILE H H 443 7.668 7.668 7.339 0.329 19214 2394 1 4 . 1 1 444 444 PHE N N 444 119.157 119.157 120.547 -1.390 19214 2395 1 4 . 1 1 444 444 PHE HA H 444 4.364 4.364 4.309 0.055 19214 2396 1 4 . 1 1 444 444 PHE C C 444 178.054 178.054 177.786 0.268 19214 2397 1 4 . 1 1 444 444 PHE CA C 444 58.952 58.952 61.417 -2.465 19214 2398 1 4 . 1 1 444 444 PHE CB C 444 37.948 37.948 38.871 -0.923 19214 2399 1 4 . 1 1 444 444 PHE H H 444 8.128 8.128 7.553 0.575 19214 2400 1 4 . 1 1 445 445 GLU N N 445 116.382 116.382 118.179 -1.797 19214 2401 1 4 . 1 1 445 445 GLU HA H 445 3.985 3.985 4.115 -0.130 19214 2402 1 4 . 1 1 445 445 GLU C C 445 179.563 179.563 179.640 -0.077 19214 2403 1 4 . 1 1 445 445 GLU CA C 445 59.156 59.156 59.607 -0.451 19214 2404 1 4 . 1 1 445 445 GLU CB C 445 29.177 29.177 29.117 0.060 19214 2405 1 4 . 1 1 445 445 GLU H H 445 8.711 8.711 9.098 -0.387 19214 2406 1 4 . 1 1 446 446 THR N N 446 118.118 118.118 116.686 1.432 19214 2407 1 4 . 1 1 446 446 THR HA H 446 4.066 4.066 4.124 -0.058 19214 2408 1 4 . 1 1 446 446 THR C C 446 175.861 175.861 176.494 -0.633 19214 2409 1 4 . 1 1 446 446 THR CA C 446 67.041 67.041 66.439 0.602 19214 2410 1 4 . 1 1 446 446 THR CB C 446 68.218 68.218 68.680 -0.462 19214 2411 1 4 . 1 1 446 446 THR H H 446 8.105 8.105 7.714 0.391 19214 2412 1 4 . 1 1 447 447 LEU N N 447 121.874 121.874 121.735 0.139 19214 2413 1 4 . 1 1 447 447 LEU HA H 447 3.852 3.852 3.876 -0.024 19214 2414 1 4 . 1 1 447 447 LEU C C 447 179.512 179.512 178.997 0.515 19214 2415 1 4 . 1 1 447 447 LEU CA C 447 58.956 58.956 58.020 0.936 19214 2416 1 4 . 1 1 447 447 LEU CB C 447 42.493 42.493 41.303 1.190 19214 2417 1 4 . 1 1 447 447 LEU H H 447 8.552 8.552 7.430 1.122 19214 2418 1 4 . 1 1 448 448 VAL N N 448 108.313 108.313 118.272 -9.959 19214 2419 1 4 . 1 1 448 448 VAL HA H 448 4.039 4.039 3.727 0.312 19214 2420 1 4 . 1 1 448 448 VAL C C 448 177.323 177.323 176.624 0.699 19214 2421 1 4 . 1 1 448 448 VAL CA C 448 64.562 64.562 65.911 -1.349 19214 2422 1 4 . 1 1 448 448 VAL CB C 448 30.055 30.055 31.716 -1.661 19214 2423 1 4 . 1 1 448 448 VAL H H 448 7.695 7.695 7.549 0.146 19214 2424 1 4 . 1 1 449 449 ALA N N 449 124.683 124.683 121.985 2.698 19214 2425 1 4 . 1 1 449 449 ALA HA H 449 4.246 4.246 4.017 0.229 19214 2426 1 4 . 1 1 449 449 ALA C C 449 181.275 181.275 179.786 1.489 19214 2427 1 4 . 1 1 449 449 ALA CA C 449 55.054 55.054 55.325 -0.271 19214 2428 1 4 . 1 1 449 449 ALA CB C 449 18.528 18.528 18.086 0.442 19214 2429 1 4 . 1 1 449 449 ALA H H 449 7.421 7.421 7.470 -0.049 19214 2430 1 4 . 1 1 450 450 LYS N N 450 118.092 118.092 118.750 -0.658 19214 2431 1 4 . 1 1 450 450 LYS HA H 450 4.170 4.170 4.187 -0.017 19214 2432 1 4 . 1 1 450 450 LYS C C 450 180.083 180.083 179.510 0.573 19214 2433 1 4 . 1 1 450 450 LYS CA C 450 58.219 58.219 59.076 -0.857 19214 2434 1 4 . 1 1 450 450 LYS CB C 450 31.697 31.697 32.618 -0.921 19214 2435 1 4 . 1 1 450 450 LYS H H 450 8.806 8.806 8.072 0.734 19214 2436 1 4 . 1 1 451 451 GLY N N 451 108.217 108.217 108.413 -0.196 19214 2437 1 4 . 1 1 451 451 GLY C C 451 173.724 173.724 175.885 -2.161 19214 2438 1 4 . 1 1 451 451 GLY CA C 451 47.965 47.965 47.478 0.487 19214 2439 1 4 . 1 1 451 451 GLY H H 451 8.816 8.816 8.731 0.085 19214 2440 1 4 . 1 1 452 452 ARG N N 452 122.310 122.310 122.537 -0.227 19214 2441 1 4 . 1 1 452 452 ARG HA H 452 4.100 4.100 4.066 0.034 19214 2442 1 4 . 1 1 452 452 ARG C C 452 178.908 178.908 177.995 0.913 19214 2443 1 4 . 1 1 452 452 ARG CA C 452 60.504 60.504 59.325 1.179 19214 2444 1 4 . 1 1 452 452 ARG CB C 452 30.208 30.208 30.323 -0.115 19214 2445 1 4 . 1 1 452 452 ARG H H 452 8.190 8.190 8.242 -0.052 19214 2446 1 4 . 1 1 453 453 GLU N N 453 119.749 119.749 118.259 1.490 19214 2447 1 4 . 1 1 453 453 GLU HA H 453 4.076 4.076 4.150 -0.074 19214 2448 1 4 . 1 1 453 453 GLU C C 453 178.638 178.638 178.840 -0.202 19214 2449 1 4 . 1 1 453 453 GLU CA C 453 58.999 58.999 58.902 0.097 19214 2450 1 4 . 1 1 453 453 GLU CB C 453 30.188 30.188 29.721 0.466 19214 2451 1 4 . 1 1 453 453 GLU H H 453 7.872 7.872 7.499 0.373 19214 2452 1 4 . 1 1 454 454 LEU N N 454 119.235 119.235 119.198 0.037 19214 2453 1 4 . 1 1 454 454 LEU HA H 454 4.157 4.157 4.131 0.026 19214 2454 1 4 . 1 1 454 454 LEU C C 454 178.446 178.446 179.125 -0.679 19214 2455 1 4 . 1 1 454 454 LEU CA C 454 57.868 57.868 57.684 0.184 19214 2456 1 4 . 1 1 454 454 LEU CB C 454 43.001 43.001 42.574 0.427 19214 2457 1 4 . 1 1 454 454 LEU H H 454 8.275 8.275 8.397 -0.122 19214 2458 1 4 . 1 1 455 455 LEU N N 455 112.983 112.983 115.920 -2.937 19214 2459 1 4 . 1 1 455 455 LEU HA H 455 4.406 4.406 4.181 0.225 19214 2460 1 4 . 1 1 455 455 LEU C C 455 177.047 177.047 177.034 0.013 19214 2461 1 4 . 1 1 455 455 LEU CA C 455 54.730 54.730 55.720 -0.990 19214 2462 1 4 . 1 1 455 455 LEU CB C 455 43.848 43.848 42.337 1.511 19214 2463 1 4 . 1 1 455 455 LEU H H 455 7.393 7.393 8.488 -1.095 19214 2464 1 4 . 1 1 456 456 ALA N N 456 124.090 124.090 117.816 6.274 19214 2465 1 4 . 1 1 456 456 ALA HA H 456 4.239 4.239 4.086 0.153 19214 2466 1 4 . 1 1 456 456 ALA C C 456 177.010 177.010 177.283 -0.273 19214 2467 1 4 . 1 1 456 456 ALA CA C 456 52.955 52.955 52.645 0.310 19214 2468 1 4 . 1 1 456 456 ALA CB C 456 16.479 16.479 16.308 0.171 19214 2469 1 4 . 1 1 456 456 ALA H H 456 8.567 8.567 7.889 0.678 19214 2470 1 4 . 1 1 457 457 CYS N N 457 111.388 111.388 114.883 -3.495 19214 2471 1 4 . 1 1 457 457 CYS HA H 457 5.658 5.658 4.714 0.944 19214 2472 1 4 . 1 1 457 457 CYS C C 457 173.094 173.094 174.647 -1.553 19214 2473 1 4 . 1 1 457 457 CYS CA C 457 54.770 54.770 56.676 -1.906 19214 2474 1 4 . 1 1 457 457 CYS CB C 457 29.803 29.803 29.716 0.087 19214 2475 1 4 . 1 1 457 457 CYS H H 457 6.942 6.942 7.595 -0.653 19214 2476 1 4 . 1 1 458 458 ASP N N 458 117.058 117.058 120.144 -3.086 19214 2477 1 4 . 1 1 458 458 ASP HA H 458 4.808 4.808 4.751 0.057 19214 2478 1 4 . 1 1 458 458 ASP C C 458 175.313 175.313 175.406 -0.093 19214 2479 1 4 . 1 1 458 458 ASP CA C 458 57.780 57.780 54.449 3.331 19214 2480 1 4 . 1 1 458 458 ASP CB C 458 42.699 42.699 43.262 -0.563 19214 2481 1 4 . 1 1 458 458 ASP H H 458 7.157 7.157 8.337 -1.180 19214 2482 1 4 . 1 1 459 459 ARG N N 459 117.570 117.570 117.596 -0.026 19214 2483 1 4 . 1 1 459 459 ARG HA H 459 5.396 5.396 4.619 0.777 19214 2484 1 4 . 1 1 459 459 ARG C C 459 174.465 174.465 173.881 0.584 19214 2485 1 4 . 1 1 459 459 ARG CA C 459 55.628 55.628 55.522 0.106 19214 2486 1 4 . 1 1 459 459 ARG CB C 459 35.127 35.127 33.847 1.280 19214 2487 1 4 . 1 1 459 459 ARG H H 459 7.946 7.946 7.513 0.433 19214 2488 1 4 . 1 1 460 460 VAL N N 460 126.878 126.878 122.842 4.036 19214 2489 1 4 . 1 1 460 460 VAL HA H 460 5.410 5.410 4.566 0.844 19214 2490 1 4 . 1 1 460 460 VAL C C 460 174.698 174.698 173.839 0.859 19214 2491 1 4 . 1 1 460 460 VAL CA C 460 61.229 61.229 61.333 -0.104 19214 2492 1 4 . 1 1 460 460 VAL CB C 460 35.335 35.335 36.172 -0.837 19214 2493 1 4 . 1 1 460 460 VAL H H 460 9.200 9.200 8.751 0.449 19214 2494 1 4 . 1 1 461 461 ILE N N 461 120.070 120.070 119.719 0.351 19214 2495 1 4 . 1 1 461 461 ILE HA H 461 5.198 5.198 4.811 0.387 19214 2496 1 4 . 1 1 461 461 ILE C C 461 174.647 174.647 173.609 1.038 19214 2497 1 4 . 1 1 461 461 ILE CA C 461 59.112 59.112 59.768 -0.656 19214 2498 1 4 . 1 1 461 461 ILE CB C 461 42.959 42.959 42.114 0.845 19214 2499 1 4 . 1 1 461 461 ILE H H 461 9.247 9.247 8.554 0.693 19214 2500 1 4 . 1 1 462 462 VAL N N 462 118.676 118.676 121.634 -2.958 19214 2501 1 4 . 1 1 462 462 VAL HA H 462 4.668 4.668 4.552 0.116 19214 2502 1 4 . 1 1 462 462 VAL C C 462 173.970 173.970 175.058 -1.088 19214 2503 1 4 . 1 1 462 462 VAL CA C 462 61.528 61.528 61.166 0.362 19214 2504 1 4 . 1 1 462 462 VAL CB C 462 33.865 33.865 33.630 0.235 19214 2505 1 4 . 1 1 462 462 VAL H H 462 7.400 7.400 8.806 -1.406 19214 2506 1 4 . 1 1 463 463 TYR N N 463 131.551 131.551 124.801 6.750 19214 2507 1 4 . 1 1 463 463 TYR HA H 463 4.937 4.937 5.385 -0.448 19214 2508 1 4 . 1 1 463 463 TYR C C 463 173.196 173.196 172.548 0.648 19214 2509 1 4 . 1 1 463 463 TYR CA C 463 55.589 55.589 55.575 0.014 19214 2510 1 4 . 1 1 463 463 TYR CB C 463 41.849 41.849 41.677 0.172 19214 2511 1 4 . 1 1 463 463 TYR H H 463 8.782 8.782 8.138 0.644 19214 2512 1 4 . 1 1 464 464 ALA N N 464 127.436 127.436 122.702 4.734 19214 2513 1 4 . 1 1 464 464 ALA HA H 464 4.418 4.418 4.367 0.051 19214 2514 1 4 . 1 1 464 464 ALA C C 464 175.095 175.095 174.581 0.514 19214 2515 1 4 . 1 1 464 464 ALA CA C 464 50.422 50.422 49.647 0.775 19214 2516 1 4 . 1 1 464 464 ALA CB C 464 22.676 22.676 22.355 0.321 19214 2517 1 4 . 1 1 464 464 ALA H H 464 8.295 8.295 7.801 0.494 19214 2518 1 4 . 1 1 465 465 PHE N N 465 116.385 116.385 119.738 -3.353 19214 2519 1 4 . 1 1 465 465 PHE HA H 465 4.434 4.434 4.571 -0.137 19214 2520 1 4 . 1 1 465 465 PHE C C 465 176.189 176.189 175.561 0.628 19214 2521 1 4 . 1 1 465 465 PHE CA C 465 56.771 56.771 58.343 -1.572 19214 2522 1 4 . 1 1 465 465 PHE CB C 465 42.082 42.082 38.735 3.347 19214 2523 1 4 . 1 1 465 465 PHE H H 465 7.426 7.426 8.472 -1.046 19214 2524 1 4 . 1 1 466 466 ASP N N 466 121.980 121.980 124.163 -2.183 19214 2525 1 4 . 1 1 466 466 ASP HA H 466 4.765 4.765 4.376 0.389 19214 2526 1 4 . 1 1 466 466 ASP C C 466 178.212 178.212 176.828 1.384 19214 2527 1 4 . 1 1 466 466 ASP CA C 466 52.007 52.007 53.318 -1.311 19214 2528 1 4 . 1 1 466 466 ASP CB C 466 41.201 41.201 42.246 -1.045 19214 2529 1 4 . 1 1 466 466 ASP H H 466 8.012 8.012 7.733 0.279 19214 2530 1 4 . 1 1 467 467 ASP N N 467 116.915 116.915 118.705 -1.790 19214 2531 1 4 . 1 1 467 467 ASP HA H 467 4.146 4.146 4.359 -0.213 19214 2532 1 4 . 1 1 467 467 ASP C C 467 176.189 176.189 175.035 1.154 19214 2533 1 4 . 1 1 467 467 ASP CA C 467 56.172 56.172 54.607 1.565 19214 2534 1 4 . 1 1 467 467 ASP CB C 467 40.189 40.189 40.336 -0.147 19214 2535 1 4 . 1 1 467 467 ASP H H 467 8.335 8.335 8.491 -0.156 19214 2536 1 4 . 1 1 468 468 ASN N N 468 116.918 116.918 117.050 -0.132 19214 2537 1 4 . 1 1 468 468 ASN HA H 468 4.689 4.689 4.515 0.174 19214 2538 1 4 . 1 1 468 468 ASN C C 468 174.068 174.068 174.630 -0.562 19214 2539 1 4 . 1 1 468 468 ASN CA C 468 52.711 52.711 51.945 0.766 19214 2540 1 4 . 1 1 468 468 ASN CB C 468 39.418 39.418 38.019 1.399 19214 2541 1 4 . 1 1 468 468 ASN H H 468 8.237 8.237 7.692 0.545 19214 2542 1 4 . 1 1 469 469 TYR N N 469 113.180 113.180 115.463 -2.283 19214 2543 1 4 . 1 1 469 469 TYR HA H 469 3.614 3.614 3.983 -0.369 19214 2544 1 4 . 1 1 469 469 TYR C C 469 173.766 173.766 174.358 -0.592 19214 2545 1 4 . 1 1 469 469 TYR CA C 469 60.636 60.636 58.902 1.734 19214 2546 1 4 . 1 1 469 469 TYR CB C 469 34.697 34.697 35.549 -0.852 19214 2547 1 4 . 1 1 469 469 TYR H H 469 7.975 7.975 7.311 0.664 19214 2548 1 4 . 1 1 470 470 VAL N N 470 120.871 120.871 117.524 3.347 19214 2549 1 4 . 1 1 470 470 VAL HA H 470 4.100 4.100 4.346 -0.246 19214 2550 1 4 . 1 1 470 470 VAL CA C 470 63.555 63.555 59.568 3.987 19214 2551 1 4 . 1 1 470 470 VAL CB C 470 31.054 31.054 33.825 -2.771 19214 2552 1 4 . 1 1 470 470 VAL H H 470 8.354 8.354 7.526 0.828 19214 2553 1 4 . 1 1 474 474 VAL HA H 474 4.288 4.288 3.768 0.520 19214 2554 1 4 . 1 1 474 474 VAL C C 474 175.489 175.489 175.731 -0.242 19214 2555 1 4 . 1 1 474 474 VAL CA C 474 61.669 61.669 63.659 -1.990 19214 2556 1 4 . 1 1 474 474 VAL CB C 474 32.382 32.382 31.959 0.423 19214 2557 1 4 . 1 1 475 475 ALA N N 475 118.920 118.920 118.665 0.255 19214 2558 1 4 . 1 1 475 475 ALA HA H 475 4.552 4.552 4.718 -0.166 19214 2559 1 4 . 1 1 475 475 ALA C C 475 174.363 174.363 174.563 -0.200 19214 2560 1 4 . 1 1 475 475 ALA CA C 475 52.023 52.023 51.199 0.824 19214 2561 1 4 . 1 1 475 475 ALA CB C 475 23.339 23.339 21.895 1.444 19214 2562 1 4 . 1 1 475 475 ALA H H 475 7.321 7.321 7.301 0.020 19214 2563 1 4 . 1 1 476 476 GLU N N 476 121.933 121.933 123.539 -1.606 19214 2564 1 4 . 1 1 476 476 GLU HA H 476 5.128 5.128 4.674 0.454 19214 2565 1 4 . 1 1 476 476 GLU C C 476 173.921 173.921 175.035 -1.114 19214 2566 1 4 . 1 1 476 476 GLU CA C 476 55.372 55.372 55.320 0.052 19214 2567 1 4 . 1 1 476 476 GLU CB C 476 35.144 35.144 33.257 1.887 19214 2568 1 4 . 1 1 476 476 GLU H H 476 8.969 8.969 8.651 0.318 19214 2569 1 4 . 1 1 477 477 SER N N 477 121.397 121.397 122.969 -1.572 19214 2570 1 4 . 1 1 477 477 SER HA H 477 4.855 4.855 4.948 -0.093 19214 2571 1 4 . 1 1 477 477 SER C C 477 173.315 173.315 172.531 0.784 19214 2572 1 4 . 1 1 477 477 SER CA C 477 56.600 56.600 56.995 -0.395 19214 2573 1 4 . 1 1 477 477 SER CB C 477 64.022 64.022 64.476 -0.454 19214 2574 1 4 . 1 1 477 477 SER H H 477 9.069 9.069 8.803 0.266 19214 2575 1 4 . 1 1 478 478 VAL N N 478 128.194 128.194 122.028 6.166 19214 2576 1 4 . 1 1 478 478 VAL HA H 478 5.287 5.287 4.522 0.765 19214 2577 1 4 . 1 1 478 478 VAL C C 478 173.093 173.093 175.395 -2.302 19214 2578 1 4 . 1 1 478 478 VAL CA C 478 58.849 58.849 59.869 -1.020 19214 2579 1 4 . 1 1 478 478 VAL CB C 478 35.764 35.764 34.049 1.715 19214 2580 1 4 . 1 1 478 478 VAL H H 478 9.081 9.081 8.439 0.642 19214 2581 1 4 . 1 1 479 479 ALA N N 479 129.566 129.566 130.016 -0.450 19214 2582 1 4 . 1 1 479 479 ALA HA H 479 4.358 4.358 4.332 0.026 19214 2583 1 4 . 1 1 479 479 ALA C C 479 176.760 176.760 176.942 -0.182 19214 2584 1 4 . 1 1 479 479 ALA CA C 479 52.215 52.215 52.273 -0.058 19214 2585 1 4 . 1 1 479 479 ALA CB C 479 20.082 20.082 19.619 0.463 19214 2586 1 4 . 1 1 479 479 ALA H H 479 8.688 8.688 8.561 0.127 19214 2587 1 4 . 1 1 480 480 GLU N N 480 120.391 120.391 120.103 0.288 19214 2588 1 4 . 1 1 480 480 GLU HA H 480 4.011 4.011 4.049 -0.038 19214 2589 1 4 . 1 1 480 480 GLU C C 480 177.201 177.201 177.512 -0.311 19214 2590 1 4 . 1 1 480 480 GLU CA C 480 58.178 58.178 58.210 -0.032 19214 2591 1 4 . 1 1 480 480 GLU CB C 480 29.829 29.829 30.026 -0.197 19214 2592 1 4 . 1 1 480 480 GLU H H 480 8.531 8.531 8.546 -0.015 19214 2593 1 4 . 1 1 481 481 GLY N N 481 110.913 110.913 111.269 -0.356 19214 2594 1 4 . 1 1 481 481 GLY C C 481 174.000 174.000 173.995 0.005 19214 2595 1 4 . 1 1 481 481 GLY CA C 481 44.644 44.644 44.369 0.275 19214 2596 1 4 . 1 1 481 481 GLY H H 481 8.557 8.557 8.556 0.001 19214 2597 1 4 . 1 1 482 482 TRP N N 482 119.571 119.571 122.934 -3.363 19214 2598 1 4 . 1 1 482 482 TRP HA H 482 5.200 5.200 5.031 0.169 19214 2599 1 4 . 1 1 482 482 TRP CA C 482 53.641 53.641 54.163 -0.523 19214 2600 1 4 . 1 1 482 482 TRP CB C 482 29.556 29.556 29.564 -0.007 19214 2601 1 4 . 1 1 482 482 TRP H H 482 7.066 7.066 7.277 -0.211 19214 2602 1 4 . 1 1 484 484 GLN CB C 484 28.700 28.700 28.925 -0.225 19214 2603 1 4 . 1 1 485 485 ALA HA H 485 4.021 4.021 4.198 -0.177 19214 2604 1 4 . 1 1 485 485 ALA C C 485 180.181 180.181 178.896 1.285 19214 2605 1 4 . 1 1 485 485 ALA CA C 485 55.328 55.328 54.074 1.254 19214 2606 1 4 . 1 1 485 485 ALA CB C 485 18.537 18.537 18.751 -0.214 19214 2607 1 4 . 1 1 486 486 ARG N N 486 114.901 114.901 119.954 -5.053 19214 2608 1 4 . 1 1 486 486 ARG HA H 486 4.104 4.104 4.019 0.085 19214 2609 1 4 . 1 1 486 486 ARG C C 486 176.165 176.165 176.895 -0.730 19214 2610 1 4 . 1 1 486 486 ARG CA C 486 58.068 58.068 58.742 -0.674 19214 2611 1 4 . 1 1 486 486 ARG CB C 486 29.624 29.624 29.792 -0.168 19214 2612 1 4 . 1 1 486 486 ARG H H 486 8.998 8.998 7.910 1.088 19214 2613 1 4 . 1 1 487 487 ASP N N 487 117.227 117.227 117.060 0.167 19214 2614 1 4 . 1 1 487 487 ASP HA H 487 4.724 4.724 4.594 0.130 19214 2615 1 4 . 1 1 487 487 ASP C C 487 175.859 175.859 175.849 0.010 19214 2616 1 4 . 1 1 487 487 ASP CA C 487 54.873 54.873 55.819 -0.946 19214 2617 1 4 . 1 1 487 487 ASP CB C 487 41.415 41.415 40.951 0.464 19214 2618 1 4 . 1 1 487 487 ASP H H 487 7.424 7.424 7.952 -0.528 19214 2619 1 4 . 1 1 488 488 GLN N N 488 117.558 117.558 119.121 -1.563 19214 2620 1 4 . 1 1 488 488 GLN HA H 488 4.471 4.471 4.481 -0.010 19214 2621 1 4 . 1 1 488 488 GLN C C 488 175.010 175.010 174.985 0.025 19214 2622 1 4 . 1 1 488 488 GLN CA C 488 54.037 54.037 55.075 -1.038 19214 2623 1 4 . 1 1 488 488 GLN CB C 488 29.989 29.989 30.087 -0.098 19214 2624 1 4 . 1 1 488 488 GLN H H 488 7.548 7.548 8.169 -0.621 19214 2625 1 4 . 1 1 489 489 VAL N N 489 122.991 122.991 123.369 -0.378 19214 2626 1 4 . 1 1 489 489 VAL HA H 489 4.102 4.102 4.226 -0.124 19214 2627 1 4 . 1 1 489 489 VAL C C 489 175.471 175.471 176.216 -0.745 19214 2628 1 4 . 1 1 489 489 VAL CA C 489 62.947 62.947 60.836 2.111 19214 2629 1 4 . 1 1 489 489 VAL CB C 489 31.473 31.473 32.528 -1.055 19214 2630 1 4 . 1 1 489 489 VAL H H 489 8.426 8.426 8.452 -0.026 19214 2631 1 4 . 1 1 490 490 ILE N N 490 128.401 128.401 126.793 1.608 19214 2632 1 4 . 1 1 490 490 ILE HA H 490 4.310 4.310 4.001 0.309 19214 2633 1 4 . 1 1 490 490 ILE H H 490 8.474 8.474 8.443 0.031 19214 2634 1 4 . 1 1 491 491 GLU HA H 491 4.361 4.361 4.364 -0.003 19214 2635 1 4 . 1 1 491 491 GLU C C 491 174.175 174.175 176.397 -2.222 19214 2636 1 4 . 1 1 491 491 GLU CA C 491 54.874 54.874 56.746 -1.872 19214 2637 1 4 . 1 1 491 491 GLU CB C 491 31.063 31.063 30.352 0.711 19214 2638 1 4 . 1 1 492 492 ASP N N 492 117.270 117.270 122.188 -4.918 19214 2639 1 4 . 1 1 492 492 ASP HA H 492 4.730 4.730 4.654 0.076 19214 2640 1 4 . 1 1 492 492 ASP CA C 492 52.914 52.914 52.055 0.859 19214 2641 1 4 . 1 1 492 492 ASP CB C 492 44.223 44.223 41.236 2.987 19214 2642 1 4 . 1 1 492 492 ASP H H 492 6.870 6.870 8.180 -1.310 19214 2643 1 4 . 1 1 493 493 PRO C C 493 178.700 178.700 177.524 1.176 19214 2644 1 4 . 1 1 493 493 PRO CA C 493 63.429 63.429 63.443 -0.014 19214 2645 1 4 . 1 1 493 493 PRO CB C 493 32.064 32.064 33.121 -1.057 19214 2646 1 4 . 1 1 494 494 CYS N N 494 121.800 121.800 116.538 5.262 19214 2647 1 4 . 1 1 494 494 CYS H H 494 8.010 8.010 8.452 -0.442 19214 2648 1 4 . 1 1 495 495 PHE CB C 495 36.800 36.800 39.137 -2.337 19214 2649 1 4 . 1 1 500 500 VAL C C 500 177.132 177.132 177.941 -0.809 19214 2650 1 4 . 1 1 501 501 GLU N N 501 117.783 117.783 118.789 -1.006 19214 2651 1 4 . 1 1 501 501 GLU C C 501 178.329 178.329 178.565 -0.236 19214 2652 1 4 . 1 1 501 501 GLU H H 501 8.169 8.169 8.023 0.146 19214 2653 1 4 . 1 1 502 502 ALA N N 502 120.877 120.877 121.610 -0.733 19214 2654 1 4 . 1 1 502 502 ALA HA H 502 3.976 3.976 4.279 -0.303 19214 2655 1 4 . 1 1 502 502 ALA C C 502 181.216 181.216 179.545 1.671 19214 2656 1 4 . 1 1 502 502 ALA CA C 502 55.113 55.113 54.749 0.364 19214 2657 1 4 . 1 1 502 502 ALA CB C 502 17.660 17.660 18.186 -0.526 19214 2658 1 4 . 1 1 502 502 ALA H H 502 7.982 7.982 7.322 0.660 19214 2659 1 4 . 1 1 503 503 TYR N N 503 116.217 116.217 118.348 -2.131 19214 2660 1 4 . 1 1 503 503 TYR HA H 503 4.440 4.440 4.322 0.118 19214 2661 1 4 . 1 1 503 503 TYR C C 503 178.488 178.488 177.740 0.748 19214 2662 1 4 . 1 1 503 503 TYR CA C 503 62.517 62.517 61.051 1.466 19214 2663 1 4 . 1 1 503 503 TYR CB C 503 38.834 38.834 37.942 0.892 19214 2664 1 4 . 1 1 503 503 TYR H H 503 7.310 7.310 7.409 -0.099 19214 2665 1 4 . 1 1 504 504 ARG N N 504 122.384 122.384 119.680 2.704 19214 2666 1 4 . 1 1 504 504 ARG HA H 504 3.748 3.748 3.990 -0.242 19214 2667 1 4 . 1 1 504 504 ARG C C 504 177.207 177.207 178.085 -0.878 19214 2668 1 4 . 1 1 504 504 ARG CA C 504 59.734 59.734 58.784 0.950 19214 2669 1 4 . 1 1 504 504 ARG CB C 504 30.200 30.200 30.321 -0.121 19214 2670 1 4 . 1 1 504 504 ARG H H 504 8.424 8.424 7.487 0.937 19214 2671 1 4 . 1 1 505 505 GLN N N 505 112.682 112.682 114.612 -1.930 19214 2672 1 4 . 1 1 505 505 GLN HA H 505 4.220 4.220 4.192 0.028 19214 2673 1 4 . 1 1 505 505 GLN C C 505 176.342 176.342 176.729 -0.387 19214 2674 1 4 . 1 1 505 505 GLN CA C 505 55.587 55.587 56.140 -0.553 19214 2675 1 4 . 1 1 505 505 GLN CB C 505 28.591 28.591 28.471 0.120 19214 2676 1 4 . 1 1 505 505 GLN H H 505 7.436 7.436 7.662 -0.226 19214 2677 1 4 . 1 1 506 506 GLY N N 506 107.068 107.068 108.662 -1.594 19214 2678 1 4 . 1 1 506 506 GLY C C 506 174.202 174.202 174.202 0.000 19214 2679 1 4 . 1 1 506 506 GLY CA C 506 45.499 45.499 45.152 0.347 19214 2680 1 4 . 1 1 506 506 GLY H H 506 7.910 7.910 7.748 0.162 19214 2681 1 4 . 1 1 507 507 ARG N N 507 123.044 123.044 119.860 3.184 19214 2682 1 4 . 1 1 507 507 ARG HA H 507 3.857 3.857 4.221 -0.364 19214 2683 1 4 . 1 1 507 507 ARG C C 507 172.375 172.375 175.517 -3.142 19214 2684 1 4 . 1 1 507 507 ARG CA C 507 57.969 57.969 56.685 1.284 19214 2685 1 4 . 1 1 507 507 ARG CB C 507 30.269 30.269 31.052 -0.783 19214 2686 1 4 . 1 1 507 507 ARG H H 507 7.934 7.934 7.703 0.231 19214 2687 1 4 . 1 1 508 508 ILE N N 508 120.600 120.600 124.337 -3.737 19214 2688 1 4 . 1 1 508 508 ILE HA H 508 4.819 4.819 4.245 0.574 19214 2689 1 4 . 1 1 508 508 ILE C C 508 177.238 177.238 174.943 2.295 19214 2690 1 4 . 1 1 508 508 ILE CA C 508 59.801 59.801 60.669 -0.869 19214 2691 1 4 . 1 1 508 508 ILE CB C 508 41.877 41.877 38.911 2.966 19214 2692 1 4 . 1 1 508 508 ILE H H 508 7.572 7.572 8.291 -0.719 19214 2693 1 4 . 1 1 509 509 GLN N N 509 127.676 127.676 128.977 -1.301 19214 2694 1 4 . 1 1 509 509 GLN HA H 509 4.761 4.761 4.637 0.124 19214 2695 1 4 . 1 1 509 509 GLN C C 509 172.804 172.804 173.524 -0.720 19214 2696 1 4 . 1 1 509 509 GLN CA C 509 54.158 54.158 54.577 -0.419 19214 2697 1 4 . 1 1 509 509 GLN CB C 509 31.078 31.078 31.000 0.078 19214 2698 1 4 . 1 1 509 509 GLN H H 509 8.894 8.894 8.429 0.465 19214 2699 1 4 . 1 1 510 510 ALA N N 510 132.910 132.910 130.423 2.487 19214 2700 1 4 . 1 1 510 510 ALA HA H 510 4.912 4.912 4.597 0.315 19214 2701 1 4 . 1 1 510 510 ALA C C 510 175.581 175.581 176.466 -0.885 19214 2702 1 4 . 1 1 510 510 ALA CA C 510 51.180 51.180 51.131 0.049 19214 2703 1 4 . 1 1 510 510 ALA CB C 510 19.939 19.939 20.845 -0.906 19214 2704 1 4 . 1 1 510 510 ALA H H 510 9.110 9.110 8.663 0.447 19214 2705 1 4 . 1 1 511 511 THR N N 511 123.543 123.543 123.267 0.276 19214 2706 1 4 . 1 1 511 511 THR HA H 511 4.636 4.636 4.825 -0.189 19214 2707 1 4 . 1 1 511 511 THR C C 511 174.690 174.690 175.010 -0.320 19214 2708 1 4 . 1 1 511 511 THR CA C 511 61.883 61.883 61.655 0.228 19214 2709 1 4 . 1 1 511 511 THR CB C 511 69.826 69.826 69.729 0.097 19214 2710 1 4 . 1 1 511 511 THR H H 511 9.525 9.525 8.283 1.242 19214 2711 1 4 . 1 1 512 512 THR N N 512 129.502 129.502 119.039 10.463 19214 2712 1 4 . 1 1 512 512 THR HA H 512 4.524 4.524 3.939 0.585 19214 2713 1 4 . 1 1 512 512 THR C C 512 172.791 172.791 173.551 -0.760 19214 2714 1 4 . 1 1 512 512 THR CA C 512 63.974 63.974 65.329 -1.355 19214 2715 1 4 . 1 1 512 512 THR CB C 512 69.199 69.199 69.055 0.144 19214 2716 1 4 . 1 1 512 512 THR H H 512 9.024 9.024 8.908 0.116 19214 2717 1 4 . 1 1 513 513 ASP N N 513 113.203 113.203 114.935 -1.732 19214 2718 1 4 . 1 1 513 513 ASP HA H 513 4.891 4.891 4.914 -0.023 19214 2719 1 4 . 1 1 513 513 ASP C C 513 179.282 179.282 175.852 3.430 19214 2720 1 4 . 1 1 513 513 ASP CA C 513 51.637 51.637 53.324 -1.687 19214 2721 1 4 . 1 1 513 513 ASP CB C 513 42.591 42.591 41.886 0.705 19214 2722 1 4 . 1 1 513 513 ASP H H 513 7.263 7.263 7.776 -0.513 19214 2723 1 4 . 1 1 514 514 ILE N N 514 122.554 122.554 120.639 1.915 19214 2724 1 4 . 1 1 514 514 ILE HA H 514 3.595 3.595 3.875 -0.280 19214 2725 1 4 . 1 1 514 514 ILE C C 514 175.984 175.984 176.654 -0.670 19214 2726 1 4 . 1 1 514 514 ILE CA C 514 64.552 64.552 63.347 1.205 19214 2727 1 4 . 1 1 514 514 ILE CB C 514 37.796 37.796 37.713 0.083 19214 2728 1 4 . 1 1 514 514 ILE H H 514 9.465 9.465 8.727 0.738 19214 2729 1 4 . 1 1 515 515 PHE N N 515 117.573 117.573 117.621 -0.048 19214 2730 1 4 . 1 1 515 515 PHE HA H 515 4.399 4.399 4.244 0.155 19214 2731 1 4 . 1 1 515 515 PHE C C 515 176.347 176.347 176.153 0.194 19214 2732 1 4 . 1 1 515 515 PHE CA C 515 59.346 59.346 59.967 -0.621 19214 2733 1 4 . 1 1 515 515 PHE CB C 515 37.709 37.709 38.718 -1.009 19214 2734 1 4 . 1 1 515 515 PHE H H 515 7.804 7.804 8.370 -0.566 19214 2735 1 4 . 1 1 516 516 LYS N N 516 118.690 118.690 117.191 1.499 19214 2736 1 4 . 1 1 516 516 LYS HA H 516 4.692 4.692 4.426 0.266 19214 2737 1 4 . 1 1 516 516 LYS C C 516 175.821 175.821 175.629 0.192 19214 2738 1 4 . 1 1 516 516 LYS CA C 516 54.851 54.851 55.449 -0.598 19214 2739 1 4 . 1 1 516 516 LYS CB C 516 33.855 33.855 31.741 2.114 19214 2740 1 4 . 1 1 516 516 LYS H H 516 7.559 7.559 7.662 -0.103 19214 2741 1 4 . 1 1 517 517 ALA N N 517 121.471 121.471 121.779 -0.308 19214 2742 1 4 . 1 1 517 517 ALA HA H 517 4.530 4.530 4.491 0.039 19214 2743 1 4 . 1 1 517 517 ALA CA C 517 52.124 52.124 51.827 0.297 19214 2744 1 4 . 1 1 517 517 ALA CB C 517 20.974 20.974 20.092 0.882 19214 2745 1 4 . 1 1 517 517 ALA H H 517 7.219 7.219 7.197 0.022 19214 2746 1 4 . 1 1 518 518 GLY C C 518 175.423 175.423 174.628 0.795 19214 2747 1 4 . 1 1 518 518 GLY CA C 518 46.692 46.692 45.048 1.644 19214 2748 1 4 . 1 1 519 519 LEU N N 519 119.857 119.857 118.773 1.084 19214 2749 1 4 . 1 1 519 519 LEU HA H 519 4.348 4.348 4.171 0.177 19214 2750 1 4 . 1 1 519 519 LEU C C 519 177.704 177.704 177.446 0.258 19214 2751 1 4 . 1 1 519 519 LEU CA C 519 54.535 54.535 55.993 -1.458 19214 2752 1 4 . 1 1 519 519 LEU CB C 519 41.174 41.174 42.273 -1.099 19214 2753 1 4 . 1 1 519 519 LEU H H 519 8.531 8.531 7.831 0.700 19214 2754 1 4 . 1 1 520 520 THR N N 520 113.386 113.386 107.111 6.275 19214 2755 1 4 . 1 1 520 520 THR HA H 520 4.260 4.260 3.976 0.284 19214 2756 1 4 . 1 1 520 520 THR CA C 520 61.653 61.653 63.401 -1.748 19214 2757 1 4 . 1 1 520 520 THR CB C 520 71.260 71.260 67.978 3.282 19214 2758 1 4 . 1 1 520 520 THR H H 520 9.352 9.352 8.319 1.033 19214 2759 1 4 . 1 1 522 522 CYS HA H 522 4.385 4.385 4.479 -0.094 19214 2760 1 4 . 1 1 522 522 CYS C C 522 175.903 175.903 174.446 1.457 19214 2761 1 4 . 1 1 522 522 CYS CA C 522 58.664 58.664 58.192 0.472 19214 2762 1 4 . 1 1 522 522 CYS CB C 522 31.785 31.785 26.294 5.491 19214 2763 1 4 . 1 1 523 523 HIS N N 523 125.416 125.416 120.162 5.254 19214 2764 1 4 . 1 1 523 523 HIS HA H 523 4.430 4.430 4.382 0.048 19214 2765 1 4 . 1 1 523 523 HIS C C 523 178.292 178.292 176.272 2.020 19214 2766 1 4 . 1 1 523 523 HIS CA C 523 55.874 55.874 56.217 -0.343 19214 2767 1 4 . 1 1 523 523 HIS CB C 523 33.792 33.792 30.661 3.131 19214 2768 1 4 . 1 1 523 523 HIS H H 523 7.210 7.210 7.773 -0.563 19214 2769 1 4 . 1 1 524 524 LEU N N 524 120.382 120.382 120.558 -0.176 19214 2770 1 4 . 1 1 524 524 LEU HA H 524 3.447 3.447 3.577 -0.130 19214 2771 1 4 . 1 1 524 524 LEU C C 524 179.772 179.772 178.203 1.569 19214 2772 1 4 . 1 1 524 524 LEU CA C 524 58.643 58.643 58.624 0.019 19214 2773 1 4 . 1 1 524 524 LEU CB C 524 41.395 41.395 41.196 0.199 19214 2774 1 4 . 1 1 524 524 LEU H H 524 8.407 8.407 8.567 -0.160 19214 2775 1 4 . 1 1 525 525 ASN N N 525 115.617 115.617 117.179 -1.562 19214 2776 1 4 . 1 1 525 525 ASN HA H 525 4.474 4.474 4.421 0.053 19214 2777 1 4 . 1 1 525 525 ASN C C 525 176.493 176.493 176.599 -0.106 19214 2778 1 4 . 1 1 525 525 ASN CA C 525 55.154 55.154 55.806 -0.652 19214 2779 1 4 . 1 1 525 525 ASN CB C 525 38.056 38.056 38.112 -0.056 19214 2780 1 4 . 1 1 525 525 ASN H H 525 8.540 8.540 8.282 0.258 19214 2781 1 4 . 1 1 526 526 GLN N N 526 116.828 116.828 115.424 1.404 19214 2782 1 4 . 1 1 526 526 GLN HA H 526 4.004 4.004 4.371 -0.367 19214 2783 1 4 . 1 1 526 526 GLN C C 526 175.549 175.549 177.127 -1.578 19214 2784 1 4 . 1 1 526 526 GLN CA C 526 57.483 57.483 56.775 0.708 19214 2785 1 4 . 1 1 526 526 GLN CB C 526 29.433 29.433 30.086 -0.653 19214 2786 1 4 . 1 1 526 526 GLN H H 526 7.492 7.492 7.783 -0.291 19214 2787 1 4 . 1 1 527 527 LEU N N 527 115.200 115.200 118.781 -3.581 19214 2788 1 4 . 1 1 527 527 LEU HA H 527 4.064 4.064 4.514 -0.450 19214 2789 1 4 . 1 1 527 527 LEU C C 527 178.808 178.808 177.486 1.322 19214 2790 1 4 . 1 1 527 527 LEU CA C 527 55.460 55.460 56.018 -0.558 19214 2791 1 4 . 1 1 527 527 LEU CB C 527 43.643 43.643 42.547 1.096 19214 2792 1 4 . 1 1 527 527 LEU H H 527 6.803 6.803 8.237 -1.434 19214 2793 1 4 . 1 1 528 528 ARG N N 528 121.174 121.174 120.812 0.362 19214 2794 1 4 . 1 1 528 528 ARG HA H 528 4.230 4.230 4.400 -0.170 19214 2795 1 4 . 1 1 528 528 ARG CA C 528 61.240 61.240 59.552 1.688 19214 2796 1 4 . 1 1 528 528 ARG CB C 528 28.670 28.670 27.780 0.890 19214 2797 1 4 . 1 1 528 528 ARG H H 528 8.763 8.763 8.609 0.154 19214 2798 1 4 . 1 1 529 529 PRO HA H 529 4.397 4.397 4.259 0.138 19214 2799 1 4 . 1 1 529 529 PRO C C 529 176.672 176.672 177.563 -0.891 19214 2800 1 4 . 1 1 529 529 PRO CA C 529 65.693 65.693 65.355 0.338 19214 2801 1 4 . 1 1 529 529 PRO CB C 529 30.983 30.983 30.936 0.047 19214 2802 1 4 . 1 1 530 530 LEU N N 530 112.952 112.952 114.158 -1.206 19214 2803 1 4 . 1 1 530 530 LEU HA H 530 4.198 4.198 4.219 -0.021 19214 2804 1 4 . 1 1 530 530 LEU C C 530 176.746 176.746 176.434 0.312 19214 2805 1 4 . 1 1 530 530 LEU CA C 530 53.564 53.564 54.943 -1.379 19214 2806 1 4 . 1 1 530 530 LEU CB C 530 42.143 42.143 41.688 0.455 19214 2807 1 4 . 1 1 530 530 LEU H H 530 6.762 6.762 7.924 -1.162 19214 2808 1 4 . 1 1 531 531 LYS N N 531 114.491 114.491 112.721 1.770 19214 2809 1 4 . 1 1 531 531 LYS HA H 531 3.921 3.921 3.948 -0.027 19214 2810 1 4 . 1 1 531 531 LYS C C 531 173.427 173.427 175.653 -2.226 19214 2811 1 4 . 1 1 531 531 LYS CA C 531 56.732 56.732 56.804 -0.072 19214 2812 1 4 . 1 1 531 531 LYS CB C 531 28.329 28.329 29.698 -1.369 19214 2813 1 4 . 1 1 531 531 LYS H H 531 8.319 8.319 7.698 0.621 19214 2814 1 4 . 1 1 532 532 VAL N N 532 114.641 114.641 113.908 0.733 19214 2815 1 4 . 1 1 532 532 VAL HA H 532 2.631 2.631 3.989 -1.358 19214 2816 1 4 . 1 1 532 532 VAL C C 532 174.660 174.660 175.580 -0.920 19214 2817 1 4 . 1 1 532 532 VAL CA C 532 65.644 65.644 62.085 3.559 19214 2818 1 4 . 1 1 532 532 VAL CB C 532 32.120 32.120 30.817 1.303 19214 2819 1 4 . 1 1 532 532 VAL H H 532 6.295 6.295 7.241 -0.946 19214 2820 1 4 . 1 1 533 533 ARG N N 533 120.970 120.970 125.521 -4.551 19214 2821 1 4 . 1 1 533 533 ARG HA H 533 4.473 4.473 4.394 0.079 19214 2822 1 4 . 1 1 533 533 ARG C C 533 173.734 173.734 175.670 -1.936 19214 2823 1 4 . 1 1 533 533 ARG CA C 533 55.062 55.062 56.667 -1.605 19214 2824 1 4 . 1 1 533 533 ARG CB C 533 30.163 30.163 31.210 -1.047 19214 2825 1 4 . 1 1 533 533 ARG H H 533 8.446 8.446 7.926 0.520 19214 2826 1 4 . 1 1 534 534 ALA N N 534 123.443 123.443 119.945 3.498 19214 2827 1 4 . 1 1 534 534 ALA HA H 534 4.842 4.842 5.005 -0.163 19214 2828 1 4 . 1 1 534 534 ALA C C 534 176.821 176.821 175.443 1.378 19214 2829 1 4 . 1 1 534 534 ALA CA C 534 51.093 51.093 50.604 0.489 19214 2830 1 4 . 1 1 534 534 ALA CB C 534 24.474 24.474 22.175 2.299 19214 2831 1 4 . 1 1 534 534 ALA H H 534 8.477 8.477 7.445 1.032 19214 2832 1 4 . 1 1 535 535 ASN N N 535 121.981 121.981 120.960 1.021 19214 2833 1 4 . 1 1 535 535 ASN HA H 535 5.709 5.709 5.089 0.620 19214 2834 1 4 . 1 1 535 535 ASN C C 535 171.453 171.453 173.254 -1.801 19214 2835 1 4 . 1 1 535 535 ASN CA C 535 52.188 52.188 53.045 -0.857 19214 2836 1 4 . 1 1 535 535 ASN CB C 535 44.081 44.081 42.183 1.898 19214 2837 1 4 . 1 1 535 535 ASN H H 535 8.910 8.910 8.668 0.242 19214 2838 1 4 . 1 1 536 536 LEU N N 536 132.341 132.341 126.998 5.343 19214 2839 1 4 . 1 1 536 536 LEU HA H 536 5.104 5.104 4.253 0.851 19214 2840 1 4 . 1 1 536 536 LEU C C 536 173.245 173.245 173.799 -0.554 19214 2841 1 4 . 1 1 536 536 LEU CA C 536 53.812 53.812 53.545 0.267 19214 2842 1 4 . 1 1 536 536 LEU CB C 536 41.977 41.977 45.026 -3.049 19214 2843 1 4 . 1 1 536 536 LEU H H 536 9.242 9.242 7.512 1.730 19214 2844 1 4 . 1 1 537 537 VAL N N 537 126.829 126.829 126.292 0.537 19214 2845 1 4 . 1 1 537 537 VAL HA H 537 4.580 4.580 4.950 -0.370 19214 2846 1 4 . 1 1 537 537 VAL C C 537 174.764 174.764 174.450 0.314 19214 2847 1 4 . 1 1 537 537 VAL CA C 537 61.450 61.450 60.248 1.202 19214 2848 1 4 . 1 1 537 537 VAL CB C 537 35.260 35.260 36.133 -0.873 19214 2849 1 4 . 1 1 537 537 VAL H H 537 9.258 9.258 8.273 0.985 19214 2850 1 4 . 1 1 538 538 VAL N N 538 120.280 120.280 118.590 1.690 19214 2851 1 4 . 1 1 538 538 VAL HA H 538 5.240 5.240 4.790 0.450 19214 2852 1 4 . 1 1 538 538 VAL CA C 538 56.785 56.785 57.963 -1.178 19214 2853 1 4 . 1 1 538 538 VAL CB C 538 33.470 33.470 34.137 -0.667 19214 2854 1 4 . 1 1 538 538 VAL H H 538 8.809 8.809 8.067 0.742 19214 2855 1 4 . 1 1 539 539 PRO HA H 539 4.756 4.756 4.618 0.138 19214 2856 1 4 . 1 1 539 539 PRO C C 539 175.826 175.826 175.658 0.168 19214 2857 1 4 . 1 1 539 539 PRO CA C 539 62.754 62.754 62.771 -0.017 19214 2858 1 4 . 1 1 539 539 PRO CB C 539 34.400 34.400 32.639 1.761 19214 2859 1 4 . 1 1 540 540 MET N N 540 118.724 118.724 124.184 -5.460 19214 2860 1 4 . 1 1 540 540 MET HA H 540 4.397 4.397 4.882 -0.485 19214 2861 1 4 . 1 1 540 540 MET C C 540 173.839 173.839 173.990 -0.151 19214 2862 1 4 . 1 1 540 540 MET CA C 540 55.758 55.758 54.632 1.126 19214 2863 1 4 . 1 1 540 540 MET CB C 540 34.217 34.217 35.707 -1.490 19214 2864 1 4 . 1 1 540 540 MET H H 540 8.360 8.360 8.125 0.235 19214 2865 1 4 . 1 1 541 541 VAL N N 541 125.320 125.320 121.411 3.909 19214 2866 1 4 . 1 1 541 541 VAL HA H 541 5.100 5.100 5.176 -0.076 19214 2867 1 4 . 1 1 541 541 VAL C C 541 174.569 174.569 174.135 0.434 19214 2868 1 4 . 1 1 541 541 VAL CA C 541 60.526 60.526 59.573 0.953 19214 2869 1 4 . 1 1 541 541 VAL CB C 541 34.461 34.461 34.719 -0.259 19214 2870 1 4 . 1 1 541 541 VAL H H 541 8.383 8.383 8.310 0.073 19214 2871 1 4 . 1 1 542 542 ILE N N 542 125.677 125.677 123.877 1.800 19214 2872 1 4 . 1 1 542 542 ILE HA H 542 4.256 4.256 4.300 -0.044 19214 2873 1 4 . 1 1 542 542 ILE C C 542 175.815 175.815 175.067 0.748 19214 2874 1 4 . 1 1 542 542 ILE CA C 542 60.441 60.441 60.031 0.410 19214 2875 1 4 . 1 1 542 542 ILE CB C 542 41.219 41.219 41.218 0.001 19214 2876 1 4 . 1 1 542 542 ILE H H 542 8.470 8.470 9.022 -0.552 19214 2877 1 4 . 1 1 543 543 ASP N N 543 130.204 130.204 127.899 2.305 19214 2878 1 4 . 1 1 543 543 ASP HA H 543 4.150 4.150 4.342 -0.192 19214 2879 1 4 . 1 1 543 543 ASP CA C 543 56.014 56.014 55.360 0.654 19214 2880 1 4 . 1 1 543 543 ASP CB C 543 39.515 39.515 40.015 -0.500 19214 2881 1 4 . 1 1 543 543 ASP H H 543 9.650 9.650 8.831 0.819 19214 2882 1 4 . 1 1 544 544 ASP HA H 544 4.180 4.180 4.324 -0.144 19214 2883 1 4 . 1 1 544 544 ASP C C 544 174.473 174.473 174.846 -0.373 19214 2884 1 4 . 1 1 544 544 ASP CA C 544 55.500 55.500 55.337 0.163 19214 2885 1 4 . 1 1 544 544 ASP CB C 544 40.941 40.941 40.391 0.551 19214 2886 1 4 . 1 1 545 545 GLN N N 545 117.251 117.251 116.055 1.196 19214 2887 1 4 . 1 1 545 545 GLN CA C 545 53.533 53.533 54.208 -0.675 19214 2888 1 4 . 1 1 545 545 GLN H H 545 7.868 7.868 7.327 0.541 19214 2889 1 4 . 1 1 546 546 LEU C C 546 174.500 174.500 175.674 -1.174 19214 2890 1 4 . 1 1 547 547 PHE N N 547 130.200 130.200 127.593 2.607 19214 2891 1 4 . 1 1 547 547 PHE HA H 547 4.650 4.650 4.692 -0.042 19214 2892 1 4 . 1 1 547 547 PHE C C 547 176.033 176.033 174.662 1.371 19214 2893 1 4 . 1 1 547 547 PHE CA C 547 59.700 59.700 58.425 1.275 19214 2894 1 4 . 1 1 547 547 PHE CB C 547 40.800 40.800 42.239 -1.439 19214 2895 1 4 . 1 1 547 547 PHE H H 547 9.120 9.120 8.501 0.619 19214 2896 1 4 . 1 1 548 548 GLY N N 548 102.705 102.705 104.507 -1.802 19214 2897 1 4 . 1 1 548 548 GLY C C 548 169.494 169.494 171.506 -2.012 19214 2898 1 4 . 1 1 548 548 GLY CA C 548 46.008 46.008 45.419 0.590 19214 2899 1 4 . 1 1 548 548 GLY H H 548 7.939 7.939 7.559 0.380 19214 2900 1 4 . 1 1 549 549 LEU N N 549 118.437 118.437 118.208 0.229 19214 2901 1 4 . 1 1 549 549 LEU HA H 549 4.870 4.870 4.868 0.002 19214 2902 1 4 . 1 1 549 549 LEU C C 549 173.746 173.746 175.143 -1.397 19214 2903 1 4 . 1 1 549 549 LEU CA C 549 53.108 53.108 54.887 -1.779 19214 2904 1 4 . 1 1 549 549 LEU CB C 549 44.752 44.752 46.834 -2.082 19214 2905 1 4 . 1 1 549 549 LEU H H 549 9.279 9.279 7.840 1.439 19214 2906 1 4 . 1 1 550 550 LEU N N 550 127.359 127.359 123.033 4.326 19214 2907 1 4 . 1 1 550 550 LEU HA H 550 4.881 4.881 4.674 0.207 19214 2908 1 4 . 1 1 550 550 LEU C C 550 174.669 174.669 176.107 -1.438 19214 2909 1 4 . 1 1 550 550 LEU CA C 550 54.216 54.216 54.657 -0.441 19214 2910 1 4 . 1 1 550 550 LEU CB C 550 42.954 42.954 42.484 0.470 19214 2911 1 4 . 1 1 550 550 LEU H H 550 9.068 9.068 8.042 1.026 19214 2912 1 4 . 1 1 551 551 ILE N N 551 126.177 126.177 122.641 3.536 19214 2913 1 4 . 1 1 551 551 ILE HA H 551 5.234 5.234 5.187 0.047 19214 2914 1 4 . 1 1 551 551 ILE C C 551 173.709 173.709 174.401 -0.692 19214 2915 1 4 . 1 1 551 551 ILE CA C 551 59.720 59.720 59.254 0.466 19214 2916 1 4 . 1 1 551 551 ILE CB C 551 42.210 42.210 41.113 1.097 19214 2917 1 4 . 1 1 551 551 ILE H H 551 8.584 8.584 7.933 0.651 19214 2918 1 4 . 1 1 552 552 ALA N N 552 129.345 129.345 127.921 1.424 19214 2919 1 4 . 1 1 552 552 ALA HA H 552 5.194 5.194 4.670 0.524 19214 2920 1 4 . 1 1 552 552 ALA C C 552 175.549 175.549 175.407 0.142 19214 2921 1 4 . 1 1 552 552 ALA CA C 552 49.380 49.380 50.447 -1.067 19214 2922 1 4 . 1 1 552 552 ALA CB C 552 23.712 23.712 21.037 2.675 19214 2923 1 4 . 1 1 552 552 ALA H H 552 9.709 9.709 7.989 1.720 19214 2924 1 4 . 1 1 553 553 HIS N N 553 115.303 115.303 122.434 -7.131 19214 2925 1 4 . 1 1 553 553 HIS HA H 553 6.162 6.162 5.175 0.987 19214 2926 1 4 . 1 1 553 553 HIS C C 553 177.121 177.121 174.609 2.512 19214 2927 1 4 . 1 1 553 553 HIS CA C 553 51.965 51.965 54.513 -2.548 19214 2928 1 4 . 1 1 553 553 HIS CB C 553 36.593 36.593 31.761 4.832 19214 2929 1 4 . 1 1 553 553 HIS H H 553 9.151 9.151 8.152 0.999 19214 2930 1 4 . 1 1 554 554 GLN N N 554 124.107 124.107 124.466 -0.359 19214 2931 1 4 . 1 1 554 554 GLN HA H 554 4.540 4.540 4.345 0.195 19214 2932 1 4 . 1 1 554 554 GLN C C 554 174.320 174.320 175.294 -0.974 19214 2933 1 4 . 1 1 554 554 GLN CA C 554 55.976 55.976 54.914 1.062 19214 2934 1 4 . 1 1 554 554 GLN CB C 554 30.828 30.828 29.192 1.636 19214 2935 1 4 . 1 1 554 554 GLN H H 554 8.647 8.647 8.927 -0.280 19214 2936 1 4 . 1 1 555 555 ALA N N 555 136.582 136.582 130.240 6.342 19214 2937 1 4 . 1 1 555 555 ALA HA H 555 4.617 4.617 4.470 0.147 19214 2938 1 4 . 1 1 555 555 ALA C C 555 177.422 177.422 177.615 -0.193 19214 2939 1 4 . 1 1 555 555 ALA CA C 555 52.406 52.406 52.905 -0.499 19214 2940 1 4 . 1 1 555 555 ALA CB C 555 19.553 19.553 18.099 1.454 19214 2941 1 4 . 1 1 555 555 ALA H H 555 11.550 11.550 8.586 2.964 19214 2942 1 4 . 1 1 556 556 SER N N 556 111.945 111.945 112.912 -0.967 19214 2943 1 4 . 1 1 556 556 SER HA H 556 4.044 4.044 4.435 -0.391 19214 2944 1 4 . 1 1 556 556 SER C C 556 174.912 174.912 174.037 0.875 19214 2945 1 4 . 1 1 556 556 SER CA C 556 61.145 61.145 59.501 1.644 19214 2946 1 4 . 1 1 556 556 SER CB C 556 62.905 62.905 64.109 -1.204 19214 2947 1 4 . 1 1 556 556 SER H H 556 8.083 8.083 8.055 0.028 19214 2948 1 4 . 1 1 557 557 GLU N N 557 117.238 117.238 118.459 -1.221 19214 2949 1 4 . 1 1 557 557 GLU CA C 557 53.900 53.900 54.201 -0.301 19214 2950 1 4 . 1 1 557 557 GLU CB C 557 30.171 30.171 29.230 0.941 19214 2951 1 4 . 1 1 557 557 GLU H H 557 7.318 7.318 7.627 -0.309 19214 2952 1 4 . 1 1 558 558 PRO HA H 558 4.194 4.194 4.420 -0.226 19214 2953 1 4 . 1 1 558 558 PRO C C 558 174.855 174.855 175.766 -0.911 19214 2954 1 4 . 1 1 558 558 PRO CA C 558 62.915 62.915 63.005 -0.090 19214 2955 1 4 . 1 1 558 558 PRO CB C 558 32.862 32.862 32.262 0.600 19214 2956 1 4 . 1 1 559 559 ARG N N 559 121.957 121.957 121.995 -0.038 19214 2957 1 4 . 1 1 559 559 ARG HA H 559 3.945 3.945 4.353 -0.408 19214 2958 1 4 . 1 1 559 559 ARG C C 559 171.134 171.134 174.647 -3.513 19214 2959 1 4 . 1 1 559 559 ARG CA C 559 55.538 55.538 54.015 1.523 19214 2960 1 4 . 1 1 559 559 ARG CB C 559 33.169 33.169 31.545 1.624 19214 2961 1 4 . 1 1 559 559 ARG H H 559 7.836 7.836 7.979 -0.143 19214 2962 1 4 . 1 1 560 560 GLN N N 560 126.067 126.067 122.864 3.203 19214 2963 1 4 . 1 1 560 560 GLN HA H 560 4.372 4.372 3.679 0.693 19214 2964 1 4 . 1 1 560 560 GLN C C 560 175.848 175.848 175.448 0.400 19214 2965 1 4 . 1 1 560 560 GLN CA C 560 53.622 53.622 54.928 -1.306 19214 2966 1 4 . 1 1 560 560 GLN CB C 560 27.811 27.811 28.613 -0.802 19214 2967 1 4 . 1 1 560 560 GLN H H 560 8.332 8.332 8.158 0.174 19214 2968 1 4 . 1 1 561 561 TRP N N 561 133.373 133.373 126.541 6.832 19214 2969 1 4 . 1 1 561 561 TRP HA H 561 4.522 4.522 4.465 0.057 19214 2970 1 4 . 1 1 561 561 TRP C C 561 176.141 176.141 176.473 -0.332 19214 2971 1 4 . 1 1 561 561 TRP CA C 561 56.337 56.337 56.840 -0.503 19214 2972 1 4 . 1 1 561 561 TRP CB C 561 28.840 28.840 29.561 -0.721 19214 2973 1 4 . 1 1 561 561 TRP H H 561 7.982 7.982 7.240 0.742 19214 2974 1 4 . 1 1 562 562 GLN N N 562 124.678 124.678 121.447 3.231 19214 2975 1 4 . 1 1 562 562 GLN HA H 562 4.454 4.454 4.546 -0.092 19214 2976 1 4 . 1 1 562 562 GLN C C 562 177.088 177.088 177.028 0.060 19214 2977 1 4 . 1 1 562 562 GLN CA C 562 54.676 54.676 54.552 0.124 19214 2978 1 4 . 1 1 562 562 GLN CB C 562 30.526 30.526 30.429 0.097 19214 2979 1 4 . 1 1 562 562 GLN H H 562 9.763 9.763 8.412 1.351 19214 2980 1 4 . 1 1 563 563 GLU N N 563 124.545 124.545 125.551 -1.006 19214 2981 1 4 . 1 1 563 563 GLU HA H 563 3.907 3.907 3.978 -0.071 19214 2982 1 4 . 1 1 563 563 GLU C C 563 178.742 178.742 178.544 0.198 19214 2983 1 4 . 1 1 563 563 GLU CA C 563 61.275 61.275 60.274 1.001 19214 2984 1 4 . 1 1 563 563 GLU CB C 563 29.149 29.149 29.324 -0.175 19214 2985 1 4 . 1 1 563 563 GLU H H 563 9.210 9.210 9.018 0.192 19214 2986 1 4 . 1 1 564 564 ILE N N 564 115.275 115.275 118.184 -2.909 19214 2987 1 4 . 1 1 564 564 ILE HA H 564 4.208 4.208 3.976 0.232 19214 2988 1 4 . 1 1 564 564 ILE C C 564 177.462 177.462 178.322 -0.860 19214 2989 1 4 . 1 1 564 564 ILE CA C 564 63.380 63.380 63.500 -0.120 19214 2990 1 4 . 1 1 564 564 ILE CB C 564 37.828 37.828 36.501 1.327 19214 2991 1 4 . 1 1 564 564 ILE H H 564 8.496 8.496 8.201 0.295 19214 2992 1 4 . 1 1 565 565 GLU N N 565 121.174 121.174 120.875 0.299 19214 2993 1 4 . 1 1 565 565 GLU HA H 565 4.009 4.009 4.078 -0.069 19214 2994 1 4 . 1 1 565 565 GLU C C 565 178.217 178.217 179.426 -1.209 19214 2995 1 4 . 1 1 565 565 GLU CA C 565 58.713 58.713 59.804 -1.091 19214 2996 1 4 . 1 1 565 565 GLU CB C 565 29.685 29.685 29.496 0.189 19214 2997 1 4 . 1 1 565 565 GLU H H 565 6.668 6.668 7.484 -0.816 19214 2998 1 4 . 1 1 566 566 ILE N N 566 119.747 119.747 119.843 -0.096 19214 2999 1 4 . 1 1 566 566 ILE HA H 566 3.387 3.387 3.849 -0.462 19214 3000 1 4 . 1 1 566 566 ILE C C 566 178.911 178.911 178.074 0.837 19214 3001 1 4 . 1 1 566 566 ILE CA C 566 66.484 66.484 64.330 2.154 19214 3002 1 4 . 1 1 566 566 ILE CB C 566 38.410 38.410 36.703 1.707 19214 3003 1 4 . 1 1 566 566 ILE H H 566 8.165 8.165 8.654 -0.489 19214 3004 1 4 . 1 1 567 567 ASP N N 567 120.827 120.827 120.398 0.429 19214 3005 1 4 . 1 1 567 567 ASP HA H 567 4.373 4.373 4.358 0.015 19214 3006 1 4 . 1 1 567 567 ASP C C 567 179.462 179.462 178.803 0.659 19214 3007 1 4 . 1 1 567 567 ASP CA C 567 57.949 57.949 57.620 0.329 19214 3008 1 4 . 1 1 567 567 ASP CB C 567 40.516 40.516 40.611 -0.095 19214 3009 1 4 . 1 1 567 567 ASP H H 567 8.574 8.574 7.723 0.851 19214 3010 1 4 . 1 1 568 568 GLN N N 568 118.625 118.625 119.185 -0.560 19214 3011 1 4 . 1 1 568 568 GLN HA H 568 4.140 4.140 4.306 -0.166 19214 3012 1 4 . 1 1 568 568 GLN C C 568 179.204 179.204 178.744 0.460 19214 3013 1 4 . 1 1 568 568 GLN CA C 568 59.294 59.294 58.319 0.975 19214 3014 1 4 . 1 1 568 568 GLN CB C 568 29.558 29.558 28.449 1.109 19214 3015 1 4 . 1 1 568 568 GLN H H 568 8.321 8.321 8.192 0.129 19214 3016 1 4 . 1 1 569 569 PHE N N 569 124.764 124.764 120.831 3.933 19214 3017 1 4 . 1 1 569 569 PHE HA H 569 4.310 4.310 4.238 0.072 19214 3018 1 4 . 1 1 569 569 PHE C C 569 177.387 177.387 177.327 0.060 19214 3019 1 4 . 1 1 569 569 PHE CA C 569 61.106 61.106 60.655 0.451 19214 3020 1 4 . 1 1 569 569 PHE CB C 569 40.452 40.452 39.285 1.167 19214 3021 1 4 . 1 1 569 569 PHE H H 569 8.999 8.999 8.515 0.484 19214 3022 1 4 . 1 1 570 570 SER N N 570 113.882 113.882 115.844 -1.962 19214 3023 1 4 . 1 1 570 570 SER HA H 570 4.145 4.145 3.922 0.223 19214 3024 1 4 . 1 1 570 570 SER C C 570 177.181 177.181 176.749 0.432 19214 3025 1 4 . 1 1 570 570 SER CA C 570 61.933 61.933 62.326 -0.393 19214 3026 1 4 . 1 1 570 570 SER CB C 570 63.049 63.049 62.670 0.379 19214 3027 1 4 . 1 1 570 570 SER H H 570 8.979 8.979 8.670 0.309 19214 3028 1 4 . 1 1 571 571 GLU N N 571 123.710 123.710 122.128 1.582 19214 3029 1 4 . 1 1 571 571 GLU HA H 571 4.146 4.146 3.979 0.167 19214 3030 1 4 . 1 1 571 571 GLU C C 571 179.006 179.006 178.926 0.080 19214 3031 1 4 . 1 1 571 571 GLU CA C 571 59.437 59.437 59.216 0.221 19214 3032 1 4 . 1 1 571 571 GLU CB C 571 29.269 29.269 29.471 -0.202 19214 3033 1 4 . 1 1 571 571 GLU H H 571 8.282 8.282 8.010 0.272 19214 3034 1 4 . 1 1 572 572 LEU N N 572 123.115 123.115 120.566 2.549 19214 3035 1 4 . 1 1 572 572 LEU HA H 572 4.030 4.030 3.972 0.058 19214 3036 1 4 . 1 1 572 572 LEU C C 572 178.204 178.204 178.147 0.057 19214 3037 1 4 . 1 1 572 572 LEU CA C 572 58.186 58.186 58.042 0.144 19214 3038 1 4 . 1 1 572 572 LEU CB C 572 41.303 41.303 41.648 -0.345 19214 3039 1 4 . 1 1 572 572 LEU H H 572 7.722 7.722 7.552 0.170 19214 3040 1 4 . 1 1 573 573 ALA N N 573 120.384 120.384 120.368 0.016 19214 3041 1 4 . 1 1 573 573 ALA HA H 573 3.703 3.703 3.895 -0.192 19214 3042 1 4 . 1 1 573 573 ALA C C 573 180.276 180.276 179.685 0.591 19214 3043 1 4 . 1 1 573 573 ALA CA C 573 55.577 55.577 55.126 0.452 19214 3044 1 4 . 1 1 573 573 ALA CB C 573 19.090 19.090 17.937 1.153 19214 3045 1 4 . 1 1 573 573 ALA H H 573 7.701 7.701 7.368 0.333 19214 3046 1 4 . 1 1 574 574 SER N N 574 116.150 116.150 113.421 2.729 19214 3047 1 4 . 1 1 574 574 SER HA H 574 4.373 4.373 4.038 0.335 19214 3048 1 4 . 1 1 574 574 SER C C 574 177.259 177.259 176.104 1.155 19214 3049 1 4 . 1 1 574 574 SER CA C 574 61.851 61.851 61.849 0.002 19214 3050 1 4 . 1 1 574 574 SER CB C 574 62.460 62.460 62.548 -0.088 19214 3051 1 4 . 1 1 574 574 SER H H 574 8.679 8.679 8.240 0.439 19214 3052 1 4 . 1 1 575 575 THR N N 575 120.316 120.316 118.032 2.284 19214 3053 1 4 . 1 1 575 575 THR HA H 575 3.985 3.985 3.950 0.035 19214 3054 1 4 . 1 1 575 575 THR C C 575 177.023 177.023 177.172 -0.149 19214 3055 1 4 . 1 1 575 575 THR CA C 575 66.859 66.859 66.851 0.008 19214 3056 1 4 . 1 1 575 575 THR CB C 575 68.370 68.370 68.253 0.117 19214 3057 1 4 . 1 1 575 575 THR H H 575 8.685 8.685 7.949 0.736 19214 3058 1 4 . 1 1 576 576 GLY N N 576 107.996 107.996 109.738 -1.742 19214 3059 1 4 . 1 1 576 576 GLY C C 576 174.096 174.096 175.592 -1.496 19214 3060 1 4 . 1 1 576 576 GLY CA C 576 47.730 47.730 47.326 0.404 19214 3061 1 4 . 1 1 576 576 GLY H H 576 8.565 8.565 7.778 0.787 19214 3062 1 4 . 1 1 577 577 SER N N 577 118.026 118.026 117.422 0.604 19214 3063 1 4 . 1 1 577 577 SER HA H 577 3.840 3.840 4.032 -0.192 19214 3064 1 4 . 1 1 577 577 SER CA C 577 63.146 63.146 61.027 2.119 19214 3065 1 4 . 1 1 577 577 SER H H 577 8.425 8.425 7.552 0.873 19214 3066 1 4 . 1 1 578 578 LEU HA H 578 3.700 3.700 4.037 -0.337 19214 3067 1 4 . 1 1 578 578 LEU C C 578 179.316 179.316 179.304 0.012 19214 3068 1 4 . 1 1 578 578 LEU CA C 578 57.995 57.995 57.489 0.506 19214 3069 1 4 . 1 1 578 578 LEU CB C 578 41.739 41.739 41.527 0.212 19214 3070 1 4 . 1 1 579 579 VAL N N 579 122.330 122.330 118.613 3.717 19214 3071 1 4 . 1 1 579 579 VAL CB C 579 31.123 31.123 31.366 -0.243 19214 3072 1 4 . 1 1 579 579 VAL H H 579 8.773 8.773 7.266 1.507 19214 3073 1 4 . 1 1 584 584 HIS HA H 584 4.332 4.332 4.261 0.071 19214 3074 1 4 . 1 1 584 584 HIS C C 584 177.320 177.320 177.392 -0.072 19214 3075 1 4 . 1 1 584 584 HIS CA C 584 59.034 59.034 59.614 -0.580 19214 3076 1 4 . 1 1 584 584 HIS CB C 584 29.981 29.981 29.516 0.465 19214 3077 1 4 . 1 1 585 585 PHE N N 585 118.557 118.557 120.149 -1.592 19214 3078 1 4 . 1 1 585 585 PHE HA H 585 4.316 4.316 4.135 0.181 19214 3079 1 4 . 1 1 585 585 PHE C C 585 178.195 178.195 176.780 1.415 19214 3080 1 4 . 1 1 585 585 PHE CA C 585 60.326 60.326 61.479 -1.153 19214 3081 1 4 . 1 1 585 585 PHE CB C 585 38.773 38.773 39.255 -0.482 19214 3082 1 4 . 1 1 585 585 PHE H H 585 8.065 8.065 7.557 0.508 19214 3083 1 4 . 1 1 586 586 LEU N N 586 121.964 121.964 120.149 1.815 19214 3084 1 4 . 1 1 586 586 LEU HA H 586 4.060 4.060 3.776 0.284 19214 3085 1 4 . 1 1 586 586 LEU C C 586 178.863 178.863 179.064 -0.201 19214 3086 1 4 . 1 1 586 586 LEU CA C 586 57.423 57.423 58.580 -1.157 19214 3087 1 4 . 1 1 586 586 LEU CB C 586 42.042 42.042 41.605 0.437 19214 3088 1 4 . 1 1 586 586 LEU H H 586 8.153 8.153 8.555 -0.402 19214 3089 1 4 . 1 1 587 587 GLU N N 587 119.163 119.163 118.227 0.936 19214 3090 1 4 . 1 1 587 587 GLU HA H 587 4.016 4.016 3.867 0.149 19214 3091 1 4 . 1 1 587 587 GLU C C 587 178.330 178.330 179.321 -0.991 19214 3092 1 4 . 1 1 587 587 GLU CA C 587 58.475 58.475 59.508 -1.033 19214 3093 1 4 . 1 1 587 587 GLU CB C 587 29.825 29.825 29.286 0.539 19214 3094 1 4 . 1 1 587 587 GLU H H 587 8.234 8.234 8.639 -0.405 19214 3095 1 4 . 1 1 588 588 GLN N N 588 118.390 118.390 117.995 0.395 19214 3096 1 4 . 1 1 588 588 GLN HA H 588 4.136 4.136 4.029 0.107 19214 3097 1 4 . 1 1 588 588 GLN C C 588 177.452 177.452 178.582 -1.130 19214 3098 1 4 . 1 1 588 588 GLN CA C 588 57.188 57.188 58.185 -0.997 19214 3099 1 4 . 1 1 588 588 GLN CB C 588 28.932 28.932 28.170 0.762 19214 3100 1 4 . 1 1 588 588 GLN H H 588 8.003 8.003 7.444 0.559 19214 3101 1 4 . 1 1 589 589 THR N N 589 115.070 115.070 116.614 -1.544 19214 3102 1 4 . 1 1 589 589 THR HA H 589 4.136 4.136 3.747 0.389 19214 3103 1 4 . 1 1 589 589 THR C C 589 175.620 175.620 176.755 -1.135 19214 3104 1 4 . 1 1 589 589 THR CA C 589 63.840 63.840 66.259 -2.419 19214 3105 1 4 . 1 1 589 589 THR CB C 589 69.380 69.380 68.151 1.229 19214 3106 1 4 . 1 1 589 589 THR H H 589 7.957 7.957 8.125 -0.168 19214 3107 1 4 . 1 1 590 590 ILE N N 590 122.655 122.655 121.526 1.129 19214 3108 1 4 . 1 1 590 590 ILE HA H 590 3.926 3.926 3.639 0.287 19214 3109 1 4 . 1 1 590 590 ILE C C 590 176.914 176.914 177.942 -1.028 19214 3110 1 4 . 1 1 590 590 ILE CA C 590 62.663 62.663 64.901 -2.238 19214 3111 1 4 . 1 1 590 590 ILE CB C 590 38.222 38.222 37.338 0.884 19214 3112 1 4 . 1 1 590 590 ILE H H 590 7.985 7.985 8.059 -0.074 19214 3113 1 4 . 1 1 591 591 ALA N N 591 125.105 125.105 122.623 2.482 19214 3114 1 4 . 1 1 591 591 ALA HA H 591 4.181 4.181 4.101 0.080 19214 3115 1 4 . 1 1 591 591 ALA C C 591 178.466 178.466 178.445 0.021 19214 3116 1 4 . 1 1 591 591 ALA CA C 591 53.502 53.502 54.767 -1.265 19214 3117 1 4 . 1 1 591 591 ALA CB C 591 18.788 18.788 18.070 0.718 19214 3118 1 4 . 1 1 591 591 ALA H H 591 8.086 8.086 7.661 0.425 19214 3119 1 4 . 1 1 592 592 SER N N 592 113.591 113.591 112.979 0.612 19214 3120 1 4 . 1 1 592 592 SER HA H 592 4.298 4.298 4.281 0.017 19214 3121 1 4 . 1 1 592 592 SER C C 592 174.886 174.886 174.359 0.527 19214 3122 1 4 . 1 1 592 592 SER CA C 592 58.939 58.939 58.641 0.298 19214 3123 1 4 . 1 1 592 592 SER CB C 592 63.738 63.738 63.453 0.285 19214 3124 1 4 . 1 1 592 592 SER H H 592 7.957 7.957 7.633 0.324 19214 3125 1 5 . 1 1 431 431 ALA HA H 431 4.315 4.315 4.581 -0.266 19214 3126 1 5 . 1 1 431 431 ALA C C 431 177.643 177.643 178.300 -0.657 19214 3127 1 5 . 1 1 431 431 ALA CA C 431 52.380 52.380 51.777 0.603 19214 3128 1 5 . 1 1 431 431 ALA CB C 431 19.190 19.190 19.456 -0.266 19214 3129 1 5 . 1 1 432 432 VAL N N 432 120.312 120.312 125.788 -5.476 19214 3130 1 5 . 1 1 432 432 VAL HA H 432 4.019 4.019 3.557 0.462 19214 3131 1 5 . 1 1 432 432 VAL C C 432 175.763 175.763 177.879 -2.116 19214 3132 1 5 . 1 1 432 432 VAL CA C 432 62.234 62.234 65.866 -3.632 19214 3133 1 5 . 1 1 432 432 VAL CB C 432 33.009 33.009 31.966 1.043 19214 3134 1 5 . 1 1 432 432 VAL H H 432 8.178 8.178 8.816 -0.638 19214 3135 1 5 . 1 1 433 433 GLN N N 433 124.379 124.379 117.417 6.962 19214 3136 1 5 . 1 1 433 433 GLN CB C 433 29.519 29.519 28.175 1.344 19214 3137 1 5 . 1 1 433 433 GLN H H 433 8.502 8.502 8.538 -0.036 19214 3138 1 5 . 1 1 435 435 SER HA H 435 4.069 4.069 4.215 -0.146 19214 3139 1 5 . 1 1 435 435 SER C C 435 178.994 178.994 175.624 3.370 19214 3140 1 5 . 1 1 435 435 SER CA C 435 60.511 60.511 60.568 -0.057 19214 3141 1 5 . 1 1 435 435 SER CB C 435 62.860 62.860 62.543 0.317 19214 3142 1 5 . 1 1 436 436 GLU N N 436 119.753 119.753 120.361 -0.608 19214 3143 1 5 . 1 1 436 436 GLU HA H 436 4.293 4.293 4.165 0.128 19214 3144 1 5 . 1 1 436 436 GLU C C 436 176.644 176.644 175.735 0.909 19214 3145 1 5 . 1 1 436 436 GLU CA C 436 56.016 56.016 57.359 -1.343 19214 3146 1 5 . 1 1 436 436 GLU CB C 436 30.335 30.335 29.680 0.655 19214 3147 1 5 . 1 1 436 436 GLU H H 436 7.805 7.805 7.667 0.138 19214 3148 1 5 . 1 1 437 437 LEU N N 437 120.618 120.618 120.758 -0.140 19214 3149 1 5 . 1 1 437 437 LEU HA H 437 4.150 4.150 4.416 -0.266 19214 3150 1 5 . 1 1 437 437 LEU CA C 437 55.497 55.497 54.904 0.593 19214 3151 1 5 . 1 1 437 437 LEU CB C 437 43.460 43.460 41.955 1.505 19214 3152 1 5 . 1 1 437 437 LEU H H 437 7.352 7.352 7.324 0.028 19214 3153 1 5 . 1 1 440 440 ARG HA H 440 3.240 3.240 3.973 -0.733 19214 3154 1 5 . 1 1 440 440 ARG C C 440 175.895 175.895 177.951 -2.056 19214 3155 1 5 . 1 1 440 440 ARG CA C 440 60.040 60.040 59.212 0.828 19214 3156 1 5 . 1 1 440 440 ARG CB C 440 30.218 30.218 30.082 0.136 19214 3157 1 5 . 1 1 441 441 GLN N N 441 117.761 117.761 117.993 -0.232 19214 3158 1 5 . 1 1 441 441 GLN HA H 441 3.894 3.894 4.307 -0.413 19214 3159 1 5 . 1 1 441 441 GLN C C 441 177.959 177.959 178.321 -0.362 19214 3160 1 5 . 1 1 441 441 GLN CA C 441 58.904 58.904 58.976 -0.072 19214 3161 1 5 . 1 1 441 441 GLN CB C 441 27.387 27.387 27.983 -0.596 19214 3162 1 5 . 1 1 441 441 GLN H H 441 8.075 8.075 8.714 -0.639 19214 3163 1 5 . 1 1 442 442 ALA N N 442 120.325 120.325 123.486 -3.161 19214 3164 1 5 . 1 1 442 442 ALA HA H 442 4.142 4.142 4.072 0.070 19214 3165 1 5 . 1 1 442 442 ALA C C 442 181.535 181.535 179.654 1.881 19214 3166 1 5 . 1 1 442 442 ALA CA C 442 54.843 54.843 55.239 -0.396 19214 3167 1 5 . 1 1 442 442 ALA CB C 442 18.746 18.746 17.921 0.825 19214 3168 1 5 . 1 1 442 442 ALA H H 442 7.859 7.859 7.786 0.073 19214 3169 1 5 . 1 1 443 443 ILE N N 443 120.878 120.878 114.809 6.069 19214 3170 1 5 . 1 1 443 443 ILE HA H 443 3.412 3.412 3.635 -0.223 19214 3171 1 5 . 1 1 443 443 ILE C C 443 177.554 177.554 177.575 -0.021 19214 3172 1 5 . 1 1 443 443 ILE CA C 443 65.839 65.839 64.447 1.392 19214 3173 1 5 . 1 1 443 443 ILE CB C 443 37.236 37.236 37.183 0.053 19214 3174 1 5 . 1 1 443 443 ILE H H 443 7.668 7.668 7.351 0.317 19214 3175 1 5 . 1 1 444 444 PHE N N 444 119.157 119.157 120.384 -1.227 19214 3176 1 5 . 1 1 444 444 PHE HA H 444 4.364 4.364 4.173 0.191 19214 3177 1 5 . 1 1 444 444 PHE C C 444 178.054 178.054 177.883 0.171 19214 3178 1 5 . 1 1 444 444 PHE CA C 444 58.952 58.952 61.463 -2.511 19214 3179 1 5 . 1 1 444 444 PHE CB C 444 37.948 37.948 38.842 -0.894 19214 3180 1 5 . 1 1 444 444 PHE H H 444 8.128 8.128 7.557 0.571 19214 3181 1 5 . 1 1 445 445 GLU N N 445 116.382 116.382 118.189 -1.807 19214 3182 1 5 . 1 1 445 445 GLU HA H 445 3.985 3.985 4.114 -0.129 19214 3183 1 5 . 1 1 445 445 GLU C C 445 179.563 179.563 179.454 0.109 19214 3184 1 5 . 1 1 445 445 GLU CA C 445 59.156 59.156 59.599 -0.444 19214 3185 1 5 . 1 1 445 445 GLU CB C 445 29.177 29.177 29.110 0.067 19214 3186 1 5 . 1 1 445 445 GLU H H 445 8.711 8.711 9.070 -0.359 19214 3187 1 5 . 1 1 446 446 THR N N 446 118.118 118.118 117.034 1.084 19214 3188 1 5 . 1 1 446 446 THR HA H 446 4.066 4.066 4.135 -0.069 19214 3189 1 5 . 1 1 446 446 THR C C 446 175.861 175.861 176.277 -0.416 19214 3190 1 5 . 1 1 446 446 THR CA C 446 67.041 67.041 66.289 0.752 19214 3191 1 5 . 1 1 446 446 THR CB C 446 68.218 68.218 68.574 -0.356 19214 3192 1 5 . 1 1 446 446 THR H H 446 8.105 8.105 7.689 0.416 19214 3193 1 5 . 1 1 447 447 LEU N N 447 121.874 121.874 121.669 0.205 19214 3194 1 5 . 1 1 447 447 LEU HA H 447 3.852 3.852 3.863 -0.011 19214 3195 1 5 . 1 1 447 447 LEU C C 447 179.512 179.512 178.607 0.905 19214 3196 1 5 . 1 1 447 447 LEU CA C 447 58.956 58.956 58.380 0.576 19214 3197 1 5 . 1 1 447 447 LEU CB C 447 42.493 42.493 41.267 1.226 19214 3198 1 5 . 1 1 447 447 LEU H H 447 8.552 8.552 7.453 1.099 19214 3199 1 5 . 1 1 448 448 VAL N N 448 108.313 108.313 118.314 -10.001 19214 3200 1 5 . 1 1 448 448 VAL HA H 448 4.039 4.039 3.677 0.362 19214 3201 1 5 . 1 1 448 448 VAL C C 448 177.323 177.323 177.001 0.322 19214 3202 1 5 . 1 1 448 448 VAL CA C 448 64.562 64.562 66.110 -1.548 19214 3203 1 5 . 1 1 448 448 VAL CB C 448 30.055 30.055 31.749 -1.694 19214 3204 1 5 . 1 1 448 448 VAL H H 448 7.695 7.695 7.511 0.184 19214 3205 1 5 . 1 1 449 449 ALA N N 449 124.683 124.683 121.648 3.035 19214 3206 1 5 . 1 1 449 449 ALA HA H 449 4.246 4.246 4.004 0.242 19214 3207 1 5 . 1 1 449 449 ALA C C 449 181.275 181.275 179.898 1.377 19214 3208 1 5 . 1 1 449 449 ALA CA C 449 55.054 55.054 55.293 -0.239 19214 3209 1 5 . 1 1 449 449 ALA CB C 449 18.528 18.528 18.100 0.428 19214 3210 1 5 . 1 1 449 449 ALA H H 449 7.421 7.421 7.506 -0.085 19214 3211 1 5 . 1 1 450 450 LYS N N 450 118.092 118.092 118.414 -0.322 19214 3212 1 5 . 1 1 450 450 LYS HA H 450 4.170 4.170 4.231 -0.061 19214 3213 1 5 . 1 1 450 450 LYS C C 450 180.083 180.083 179.455 0.628 19214 3214 1 5 . 1 1 450 450 LYS CA C 450 58.219 58.219 58.941 -0.722 19214 3215 1 5 . 1 1 450 450 LYS CB C 450 31.697 31.697 32.632 -0.935 19214 3216 1 5 . 1 1 450 450 LYS H H 450 8.806 8.806 7.999 0.807 19214 3217 1 5 . 1 1 451 451 GLY N N 451 108.217 108.217 108.392 -0.175 19214 3218 1 5 . 1 1 451 451 GLY C C 451 173.724 173.724 176.017 -2.293 19214 3219 1 5 . 1 1 451 451 GLY CA C 451 47.965 47.965 47.679 0.286 19214 3220 1 5 . 1 1 451 451 GLY H H 451 8.816 8.816 8.731 0.085 19214 3221 1 5 . 1 1 452 452 ARG N N 452 122.310 122.310 120.702 1.608 19214 3222 1 5 . 1 1 452 452 ARG HA H 452 4.100 4.100 3.952 0.148 19214 3223 1 5 . 1 1 452 452 ARG C C 452 178.908 178.908 177.893 1.015 19214 3224 1 5 . 1 1 452 452 ARG CA C 452 60.504 60.504 59.386 1.118 19214 3225 1 5 . 1 1 452 452 ARG CB C 452 30.208 30.208 29.549 0.659 19214 3226 1 5 . 1 1 452 452 ARG H H 452 8.190 8.190 8.058 0.132 19214 3227 1 5 . 1 1 453 453 GLU N N 453 119.749 119.749 119.130 0.619 19214 3228 1 5 . 1 1 453 453 GLU HA H 453 4.076 4.076 4.157 -0.081 19214 3229 1 5 . 1 1 453 453 GLU C C 453 178.638 178.638 178.734 -0.096 19214 3230 1 5 . 1 1 453 453 GLU CA C 453 58.999 58.999 58.707 0.292 19214 3231 1 5 . 1 1 453 453 GLU CB C 453 30.188 30.188 29.855 0.333 19214 3232 1 5 . 1 1 453 453 GLU H H 453 7.872 7.872 7.443 0.429 19214 3233 1 5 . 1 1 454 454 LEU N N 454 119.235 119.235 118.872 0.363 19214 3234 1 5 . 1 1 454 454 LEU HA H 454 4.157 4.157 4.109 0.048 19214 3235 1 5 . 1 1 454 454 LEU C C 454 178.446 178.446 178.883 -0.437 19214 3236 1 5 . 1 1 454 454 LEU CA C 454 57.868 57.868 57.845 0.023 19214 3237 1 5 . 1 1 454 454 LEU CB C 454 43.001 43.001 42.530 0.471 19214 3238 1 5 . 1 1 454 454 LEU H H 454 8.275 8.275 8.498 -0.223 19214 3239 1 5 . 1 1 455 455 LEU N N 455 112.983 112.983 115.332 -2.349 19214 3240 1 5 . 1 1 455 455 LEU HA H 455 4.406 4.406 4.427 -0.021 19214 3241 1 5 . 1 1 455 455 LEU C C 455 177.047 177.047 176.951 0.096 19214 3242 1 5 . 1 1 455 455 LEU CA C 455 54.730 54.730 55.557 -0.827 19214 3243 1 5 . 1 1 455 455 LEU CB C 455 43.848 43.848 42.446 1.402 19214 3244 1 5 . 1 1 455 455 LEU H H 455 7.393 7.393 8.326 -0.933 19214 3245 1 5 . 1 1 456 456 ALA N N 456 124.090 124.090 117.469 6.621 19214 3246 1 5 . 1 1 456 456 ALA HA H 456 4.239 4.239 4.021 0.218 19214 3247 1 5 . 1 1 456 456 ALA C C 456 177.010 177.010 177.141 -0.131 19214 3248 1 5 . 1 1 456 456 ALA CA C 456 52.955 52.955 52.696 0.259 19214 3249 1 5 . 1 1 456 456 ALA CB C 456 16.479 16.479 16.424 0.055 19214 3250 1 5 . 1 1 456 456 ALA H H 456 8.567 8.567 7.637 0.930 19214 3251 1 5 . 1 1 457 457 CYS N N 457 111.388 111.388 116.921 -5.533 19214 3252 1 5 . 1 1 457 457 CYS HA H 457 5.658 5.658 4.406 1.252 19214 3253 1 5 . 1 1 457 457 CYS C C 457 173.094 173.094 174.263 -1.169 19214 3254 1 5 . 1 1 457 457 CYS CA C 457 54.770 54.770 57.968 -3.198 19214 3255 1 5 . 1 1 457 457 CYS CB C 457 29.803 29.803 29.150 0.653 19214 3256 1 5 . 1 1 457 457 CYS H H 457 6.942 6.942 7.822 -0.880 19214 3257 1 5 . 1 1 458 458 ASP N N 458 117.058 117.058 119.153 -2.095 19214 3258 1 5 . 1 1 458 458 ASP HA H 458 4.808 4.808 4.707 0.101 19214 3259 1 5 . 1 1 458 458 ASP C C 458 175.313 175.313 175.389 -0.076 19214 3260 1 5 . 1 1 458 458 ASP CA C 458 57.780 57.780 54.719 3.061 19214 3261 1 5 . 1 1 458 458 ASP CB C 458 42.699 42.699 42.617 0.083 19214 3262 1 5 . 1 1 458 458 ASP H H 458 7.157 7.157 8.447 -1.290 19214 3263 1 5 . 1 1 459 459 ARG N N 459 117.570 117.570 117.309 0.261 19214 3264 1 5 . 1 1 459 459 ARG HA H 459 5.396 5.396 4.590 0.806 19214 3265 1 5 . 1 1 459 459 ARG C C 459 174.465 174.465 173.590 0.875 19214 3266 1 5 . 1 1 459 459 ARG CA C 459 55.628 55.628 55.501 0.127 19214 3267 1 5 . 1 1 459 459 ARG CB C 459 35.127 35.127 33.693 1.434 19214 3268 1 5 . 1 1 459 459 ARG H H 459 7.946 7.946 7.578 0.368 19214 3269 1 5 . 1 1 460 460 VAL N N 460 126.878 126.878 122.800 4.078 19214 3270 1 5 . 1 1 460 460 VAL HA H 460 5.410 5.410 4.503 0.907 19214 3271 1 5 . 1 1 460 460 VAL C C 460 174.698 174.698 173.336 1.362 19214 3272 1 5 . 1 1 460 460 VAL CA C 460 61.229 61.229 60.791 0.438 19214 3273 1 5 . 1 1 460 460 VAL CB C 460 35.335 35.335 36.269 -0.934 19214 3274 1 5 . 1 1 460 460 VAL H H 460 9.200 9.200 8.220 0.980 19214 3275 1 5 . 1 1 461 461 ILE N N 461 120.070 120.070 121.257 -1.187 19214 3276 1 5 . 1 1 461 461 ILE HA H 461 5.198 5.198 4.747 0.451 19214 3277 1 5 . 1 1 461 461 ILE C C 461 174.647 174.647 173.371 1.276 19214 3278 1 5 . 1 1 461 461 ILE CA C 461 59.112 59.112 59.775 -0.663 19214 3279 1 5 . 1 1 461 461 ILE CB C 461 42.959 42.959 42.064 0.895 19214 3280 1 5 . 1 1 461 461 ILE H H 461 9.247 9.247 8.460 0.787 19214 3281 1 5 . 1 1 462 462 VAL N N 462 118.676 118.676 121.338 -2.662 19214 3282 1 5 . 1 1 462 462 VAL HA H 462 4.668 4.668 4.508 0.160 19214 3283 1 5 . 1 1 462 462 VAL C C 462 173.970 173.970 174.763 -0.793 19214 3284 1 5 . 1 1 462 462 VAL CA C 462 61.528 61.528 61.355 0.173 19214 3285 1 5 . 1 1 462 462 VAL CB C 462 33.865 33.865 33.827 0.038 19214 3286 1 5 . 1 1 462 462 VAL H H 462 7.400 7.400 8.370 -0.970 19214 3287 1 5 . 1 1 463 463 TYR N N 463 131.551 131.551 124.966 6.585 19214 3288 1 5 . 1 1 463 463 TYR HA H 463 4.937 4.937 5.551 -0.614 19214 3289 1 5 . 1 1 463 463 TYR C C 463 173.196 173.196 172.573 0.623 19214 3290 1 5 . 1 1 463 463 TYR CA C 463 55.589 55.589 55.269 0.320 19214 3291 1 5 . 1 1 463 463 TYR CB C 463 41.849 41.849 41.836 0.014 19214 3292 1 5 . 1 1 463 463 TYR H H 463 8.782 8.782 8.084 0.698 19214 3293 1 5 . 1 1 464 464 ALA N N 464 127.436 127.436 122.484 4.952 19214 3294 1 5 . 1 1 464 464 ALA HA H 464 4.418 4.418 3.973 0.445 19214 3295 1 5 . 1 1 464 464 ALA C C 464 175.095 175.095 174.495 0.600 19214 3296 1 5 . 1 1 464 464 ALA CA C 464 50.422 50.422 49.413 1.010 19214 3297 1 5 . 1 1 464 464 ALA CB C 464 22.676 22.676 22.166 0.510 19214 3298 1 5 . 1 1 464 464 ALA H H 464 8.295 8.295 7.868 0.427 19214 3299 1 5 . 1 1 465 465 PHE N N 465 116.385 116.385 117.634 -1.249 19214 3300 1 5 . 1 1 465 465 PHE HA H 465 4.434 4.434 5.064 -0.630 19214 3301 1 5 . 1 1 465 465 PHE C C 465 176.189 176.189 175.298 0.891 19214 3302 1 5 . 1 1 465 465 PHE CA C 465 56.771 56.771 56.329 0.442 19214 3303 1 5 . 1 1 465 465 PHE CB C 465 42.082 42.082 38.197 3.885 19214 3304 1 5 . 1 1 465 465 PHE H H 465 7.426 7.426 7.103 0.323 19214 3305 1 5 . 1 1 466 466 ASP N N 466 121.980 121.980 124.337 -2.357 19214 3306 1 5 . 1 1 466 466 ASP HA H 466 4.765 4.765 4.410 0.355 19214 3307 1 5 . 1 1 466 466 ASP C C 466 178.212 178.212 177.475 0.737 19214 3308 1 5 . 1 1 466 466 ASP CA C 466 52.007 52.007 53.375 -1.368 19214 3309 1 5 . 1 1 466 466 ASP CB C 466 41.201 41.201 42.234 -1.033 19214 3310 1 5 . 1 1 466 466 ASP H H 466 8.012 8.012 7.818 0.194 19214 3311 1 5 . 1 1 467 467 ASP N N 467 116.915 116.915 118.956 -2.041 19214 3312 1 5 . 1 1 467 467 ASP HA H 467 4.146 4.146 4.368 -0.222 19214 3313 1 5 . 1 1 467 467 ASP C C 467 176.189 176.189 175.046 1.143 19214 3314 1 5 . 1 1 467 467 ASP CA C 467 56.172 56.172 55.159 1.013 19214 3315 1 5 . 1 1 467 467 ASP CB C 467 40.189 40.189 40.178 0.011 19214 3316 1 5 . 1 1 467 467 ASP H H 467 8.335 8.335 8.597 -0.262 19214 3317 1 5 . 1 1 468 468 ASN N N 468 116.918 116.918 115.838 1.080 19214 3318 1 5 . 1 1 468 468 ASN HA H 468 4.689 4.689 4.266 0.423 19214 3319 1 5 . 1 1 468 468 ASN C C 468 174.068 174.068 174.649 -0.581 19214 3320 1 5 . 1 1 468 468 ASN CA C 468 52.711 52.711 52.269 0.442 19214 3321 1 5 . 1 1 468 468 ASN CB C 468 39.418 39.418 39.057 0.361 19214 3322 1 5 . 1 1 468 468 ASN H H 468 8.237 8.237 7.728 0.509 19214 3323 1 5 . 1 1 469 469 TYR N N 469 113.180 113.180 114.379 -1.199 19214 3324 1 5 . 1 1 469 469 TYR HA H 469 3.614 3.614 4.159 -0.545 19214 3325 1 5 . 1 1 469 469 TYR C C 469 173.766 173.766 174.324 -0.558 19214 3326 1 5 . 1 1 469 469 TYR CA C 469 60.636 60.636 58.435 2.201 19214 3327 1 5 . 1 1 469 469 TYR CB C 469 34.697 34.697 35.076 -0.379 19214 3328 1 5 . 1 1 469 469 TYR H H 469 7.975 7.975 7.215 0.760 19214 3329 1 5 . 1 1 470 470 VAL N N 470 120.871 120.871 118.304 2.567 19214 3330 1 5 . 1 1 470 470 VAL HA H 470 4.100 4.100 4.303 -0.203 19214 3331 1 5 . 1 1 470 470 VAL CA C 470 63.555 63.555 61.373 2.182 19214 3332 1 5 . 1 1 470 470 VAL CB C 470 31.054 31.054 33.023 -1.969 19214 3333 1 5 . 1 1 470 470 VAL H H 470 8.354 8.354 7.268 1.086 19214 3334 1 5 . 1 1 474 474 VAL HA H 474 4.288 4.288 3.598 0.690 19214 3335 1 5 . 1 1 474 474 VAL C C 474 175.489 175.489 175.780 -0.291 19214 3336 1 5 . 1 1 474 474 VAL CA C 474 61.669 61.669 64.407 -2.738 19214 3337 1 5 . 1 1 474 474 VAL CB C 474 32.382 32.382 31.741 0.640 19214 3338 1 5 . 1 1 475 475 ALA N N 475 118.920 118.920 117.794 1.126 19214 3339 1 5 . 1 1 475 475 ALA HA H 475 4.552 4.552 4.582 -0.030 19214 3340 1 5 . 1 1 475 475 ALA C C 475 174.363 174.363 174.756 -0.393 19214 3341 1 5 . 1 1 475 475 ALA CA C 475 52.023 52.023 51.385 0.638 19214 3342 1 5 . 1 1 475 475 ALA CB C 475 23.339 23.339 21.995 1.344 19214 3343 1 5 . 1 1 475 475 ALA H H 475 7.321 7.321 7.259 0.062 19214 3344 1 5 . 1 1 476 476 GLU N N 476 121.933 121.933 121.778 0.155 19214 3345 1 5 . 1 1 476 476 GLU HA H 476 5.128 5.128 4.765 0.363 19214 3346 1 5 . 1 1 476 476 GLU C C 476 173.921 173.921 175.127 -1.206 19214 3347 1 5 . 1 1 476 476 GLU CA C 476 55.372 55.372 55.395 -0.023 19214 3348 1 5 . 1 1 476 476 GLU CB C 476 35.144 35.144 33.570 1.574 19214 3349 1 5 . 1 1 476 476 GLU H H 476 8.969 8.969 8.887 0.082 19214 3350 1 5 . 1 1 477 477 SER N N 477 121.397 121.397 122.004 -0.607 19214 3351 1 5 . 1 1 477 477 SER HA H 477 4.855 4.855 4.989 -0.134 19214 3352 1 5 . 1 1 477 477 SER C C 477 173.315 173.315 172.781 0.534 19214 3353 1 5 . 1 1 477 477 SER CA C 477 56.600 56.600 57.136 -0.536 19214 3354 1 5 . 1 1 477 477 SER CB C 477 64.022 64.022 64.983 -0.961 19214 3355 1 5 . 1 1 477 477 SER H H 477 9.069 9.069 8.483 0.586 19214 3356 1 5 . 1 1 478 478 VAL N N 478 128.194 128.194 121.455 6.739 19214 3357 1 5 . 1 1 478 478 VAL HA H 478 5.287 5.287 4.499 0.788 19214 3358 1 5 . 1 1 478 478 VAL C C 478 173.093 173.093 174.964 -1.871 19214 3359 1 5 . 1 1 478 478 VAL CA C 478 58.849 58.849 59.642 -0.793 19214 3360 1 5 . 1 1 478 478 VAL CB C 478 35.764 35.764 34.486 1.278 19214 3361 1 5 . 1 1 478 478 VAL H H 478 9.081 9.081 8.323 0.758 19214 3362 1 5 . 1 1 479 479 ALA N N 479 129.566 129.566 129.486 0.080 19214 3363 1 5 . 1 1 479 479 ALA HA H 479 4.358 4.358 4.310 0.048 19214 3364 1 5 . 1 1 479 479 ALA C C 479 176.760 176.760 177.560 -0.800 19214 3365 1 5 . 1 1 479 479 ALA CA C 479 52.215 52.215 52.322 -0.107 19214 3366 1 5 . 1 1 479 479 ALA CB C 479 20.082 20.082 19.675 0.407 19214 3367 1 5 . 1 1 479 479 ALA H H 479 8.688 8.688 8.302 0.386 19214 3368 1 5 . 1 1 480 480 GLU N N 480 120.391 120.391 120.330 0.061 19214 3369 1 5 . 1 1 480 480 GLU HA H 480 4.011 4.011 4.162 -0.151 19214 3370 1 5 . 1 1 480 480 GLU C C 480 177.201 177.201 177.536 -0.335 19214 3371 1 5 . 1 1 480 480 GLU CA C 480 58.178 58.178 58.520 -0.342 19214 3372 1 5 . 1 1 480 480 GLU CB C 480 29.829 29.829 29.515 0.314 19214 3373 1 5 . 1 1 480 480 GLU H H 480 8.531 8.531 8.603 -0.072 19214 3374 1 5 . 1 1 481 481 GLY N N 481 110.913 110.913 110.173 0.740 19214 3375 1 5 . 1 1 481 481 GLY C C 481 174.000 174.000 174.255 -0.255 19214 3376 1 5 . 1 1 481 481 GLY CA C 481 44.644 44.644 44.245 0.399 19214 3377 1 5 . 1 1 481 481 GLY H H 481 8.557 8.557 8.671 -0.114 19214 3378 1 5 . 1 1 482 482 TRP N N 482 119.571 119.571 122.520 -2.949 19214 3379 1 5 . 1 1 482 482 TRP HA H 482 5.200 5.200 5.031 0.169 19214 3380 1 5 . 1 1 482 482 TRP CA C 482 53.641 53.641 54.313 -0.672 19214 3381 1 5 . 1 1 482 482 TRP CB C 482 29.556 29.556 29.522 0.034 19214 3382 1 5 . 1 1 482 482 TRP H H 482 7.066 7.066 7.226 -0.160 19214 3383 1 5 . 1 1 484 484 GLN CB C 484 28.700 28.700 28.767 -0.067 19214 3384 1 5 . 1 1 485 485 ALA HA H 485 4.021 4.021 4.191 -0.170 19214 3385 1 5 . 1 1 485 485 ALA C C 485 180.181 180.181 179.137 1.044 19214 3386 1 5 . 1 1 485 485 ALA CA C 485 55.328 55.328 54.278 1.050 19214 3387 1 5 . 1 1 485 485 ALA CB C 485 18.537 18.537 18.771 -0.234 19214 3388 1 5 . 1 1 486 486 ARG N N 486 114.901 114.901 119.382 -4.481 19214 3389 1 5 . 1 1 486 486 ARG HA H 486 4.104 4.104 4.044 0.060 19214 3390 1 5 . 1 1 486 486 ARG C C 486 176.165 176.165 177.148 -0.983 19214 3391 1 5 . 1 1 486 486 ARG CA C 486 58.068 58.068 58.726 -0.658 19214 3392 1 5 . 1 1 486 486 ARG CB C 486 29.624 29.624 29.750 -0.126 19214 3393 1 5 . 1 1 486 486 ARG H H 486 8.998 8.998 8.382 0.616 19214 3394 1 5 . 1 1 487 487 ASP N N 487 117.227 117.227 117.082 0.145 19214 3395 1 5 . 1 1 487 487 ASP HA H 487 4.724 4.724 4.580 0.144 19214 3396 1 5 . 1 1 487 487 ASP C C 487 175.859 175.859 175.741 0.118 19214 3397 1 5 . 1 1 487 487 ASP CA C 487 54.873 54.873 55.373 -0.500 19214 3398 1 5 . 1 1 487 487 ASP CB C 487 41.415 41.415 41.428 -0.013 19214 3399 1 5 . 1 1 487 487 ASP H H 487 7.424 7.424 7.954 -0.530 19214 3400 1 5 . 1 1 488 488 GLN N N 488 117.558 117.558 118.463 -0.905 19214 3401 1 5 . 1 1 488 488 GLN HA H 488 4.471 4.471 4.462 0.009 19214 3402 1 5 . 1 1 488 488 GLN C C 488 175.010 175.010 174.819 0.191 19214 3403 1 5 . 1 1 488 488 GLN CA C 488 54.037 54.037 55.084 -1.047 19214 3404 1 5 . 1 1 488 488 GLN CB C 488 29.989 29.989 30.064 -0.075 19214 3405 1 5 . 1 1 488 488 GLN H H 488 7.548 7.548 8.046 -0.498 19214 3406 1 5 . 1 1 489 489 VAL N N 489 122.991 122.991 122.549 0.442 19214 3407 1 5 . 1 1 489 489 VAL HA H 489 4.102 4.102 4.344 -0.242 19214 3408 1 5 . 1 1 489 489 VAL C C 489 175.471 175.471 175.810 -0.339 19214 3409 1 5 . 1 1 489 489 VAL CA C 489 62.947 62.947 60.494 2.453 19214 3410 1 5 . 1 1 489 489 VAL CB C 489 31.473 31.473 34.301 -2.828 19214 3411 1 5 . 1 1 489 489 VAL H H 489 8.426 8.426 8.401 0.025 19214 3412 1 5 . 1 1 490 490 ILE N N 490 128.401 128.401 125.652 2.749 19214 3413 1 5 . 1 1 490 490 ILE HA H 490 4.310 4.310 4.114 0.196 19214 3414 1 5 . 1 1 490 490 ILE H H 490 8.474 8.474 8.331 0.143 19214 3415 1 5 . 1 1 491 491 GLU HA H 491 4.361 4.361 4.184 0.177 19214 3416 1 5 . 1 1 491 491 GLU C C 491 174.175 174.175 176.459 -2.284 19214 3417 1 5 . 1 1 491 491 GLU CA C 491 54.874 54.874 57.822 -2.948 19214 3418 1 5 . 1 1 491 491 GLU CB C 491 31.063 31.063 29.799 1.264 19214 3419 1 5 . 1 1 492 492 ASP N N 492 117.270 117.270 119.972 -2.702 19214 3420 1 5 . 1 1 492 492 ASP HA H 492 4.730 4.730 4.609 0.121 19214 3421 1 5 . 1 1 492 492 ASP CA C 492 52.914 52.914 51.965 0.949 19214 3422 1 5 . 1 1 492 492 ASP CB C 492 44.223 44.223 41.149 3.074 19214 3423 1 5 . 1 1 492 492 ASP H H 492 6.870 6.870 8.203 -1.333 19214 3424 1 5 . 1 1 493 493 PRO C C 493 178.700 178.700 177.577 1.123 19214 3425 1 5 . 1 1 493 493 PRO CA C 493 63.429 63.429 62.370 1.060 19214 3426 1 5 . 1 1 493 493 PRO CB C 493 32.064 32.064 32.778 -0.714 19214 3427 1 5 . 1 1 494 494 CYS N N 494 121.800 121.800 124.245 -2.445 19214 3428 1 5 . 1 1 494 494 CYS H H 494 8.010 8.010 9.043 -1.033 19214 3429 1 5 . 1 1 495 495 PHE CB C 495 36.800 36.800 39.150 -2.350 19214 3430 1 5 . 1 1 500 500 VAL C C 500 177.132 177.132 178.256 -1.124 19214 3431 1 5 . 1 1 501 501 GLU N N 501 117.783 117.783 118.317 -0.534 19214 3432 1 5 . 1 1 501 501 GLU C C 501 178.329 178.329 178.544 -0.215 19214 3433 1 5 . 1 1 501 501 GLU H H 501 8.169 8.169 7.809 0.360 19214 3434 1 5 . 1 1 502 502 ALA N N 502 120.877 120.877 122.244 -1.367 19214 3435 1 5 . 1 1 502 502 ALA HA H 502 3.976 3.976 3.982 -0.006 19214 3436 1 5 . 1 1 502 502 ALA C C 502 181.216 181.216 179.731 1.485 19214 3437 1 5 . 1 1 502 502 ALA CA C 502 55.113 55.113 54.750 0.363 19214 3438 1 5 . 1 1 502 502 ALA CB C 502 17.660 17.660 18.099 -0.440 19214 3439 1 5 . 1 1 502 502 ALA H H 502 7.982 7.982 8.023 -0.041 19214 3440 1 5 . 1 1 503 503 TYR N N 503 116.217 116.217 116.656 -0.439 19214 3441 1 5 . 1 1 503 503 TYR HA H 503 4.440 4.440 4.488 -0.048 19214 3442 1 5 . 1 1 503 503 TYR C C 503 178.488 178.488 178.952 -0.464 19214 3443 1 5 . 1 1 503 503 TYR CA C 503 62.517 62.517 59.639 2.878 19214 3444 1 5 . 1 1 503 503 TYR CB C 503 38.834 38.834 37.889 0.945 19214 3445 1 5 . 1 1 503 503 TYR H H 503 7.310 7.310 7.408 -0.098 19214 3446 1 5 . 1 1 504 504 ARG N N 504 122.384 122.384 120.506 1.878 19214 3447 1 5 . 1 1 504 504 ARG HA H 504 3.748 3.748 4.042 -0.294 19214 3448 1 5 . 1 1 504 504 ARG C C 504 177.207 177.207 176.915 0.292 19214 3449 1 5 . 1 1 504 504 ARG CA C 504 59.734 59.734 59.027 0.707 19214 3450 1 5 . 1 1 504 504 ARG CB C 504 30.200 30.200 30.046 0.154 19214 3451 1 5 . 1 1 504 504 ARG H H 504 8.424 8.424 7.579 0.845 19214 3452 1 5 . 1 1 505 505 GLN N N 505 112.682 112.682 114.715 -2.033 19214 3453 1 5 . 1 1 505 505 GLN HA H 505 4.220 4.220 4.476 -0.256 19214 3454 1 5 . 1 1 505 505 GLN C C 505 176.342 176.342 176.330 0.012 19214 3455 1 5 . 1 1 505 505 GLN CA C 505 55.587 55.587 55.299 0.288 19214 3456 1 5 . 1 1 505 505 GLN CB C 505 28.591 28.591 29.553 -0.962 19214 3457 1 5 . 1 1 505 505 GLN H H 505 7.436 7.436 7.625 -0.189 19214 3458 1 5 . 1 1 506 506 GLY N N 506 107.068 107.068 109.734 -2.666 19214 3459 1 5 . 1 1 506 506 GLY C C 506 174.202 174.202 173.883 0.319 19214 3460 1 5 . 1 1 506 506 GLY CA C 506 45.499 45.499 45.013 0.486 19214 3461 1 5 . 1 1 506 506 GLY H H 506 7.910 7.910 8.070 -0.160 19214 3462 1 5 . 1 1 507 507 ARG N N 507 123.044 123.044 120.219 2.825 19214 3463 1 5 . 1 1 507 507 ARG HA H 507 3.857 3.857 4.309 -0.452 19214 3464 1 5 . 1 1 507 507 ARG C C 507 172.375 172.375 175.722 -3.347 19214 3465 1 5 . 1 1 507 507 ARG CA C 507 57.969 57.969 56.274 1.695 19214 3466 1 5 . 1 1 507 507 ARG CB C 507 30.269 30.269 31.580 -1.311 19214 3467 1 5 . 1 1 507 507 ARG H H 507 7.934 7.934 7.862 0.072 19214 3468 1 5 . 1 1 508 508 ILE N N 508 120.600 120.600 122.892 -2.292 19214 3469 1 5 . 1 1 508 508 ILE HA H 508 4.819 4.819 4.273 0.546 19214 3470 1 5 . 1 1 508 508 ILE C C 508 177.238 177.238 174.967 2.271 19214 3471 1 5 . 1 1 508 508 ILE CA C 508 59.801 59.801 60.690 -0.889 19214 3472 1 5 . 1 1 508 508 ILE CB C 508 41.877 41.877 38.991 2.886 19214 3473 1 5 . 1 1 508 508 ILE H H 508 7.572 7.572 8.277 -0.705 19214 3474 1 5 . 1 1 509 509 GLN N N 509 127.676 127.676 128.910 -1.234 19214 3475 1 5 . 1 1 509 509 GLN HA H 509 4.761 4.761 4.667 0.094 19214 3476 1 5 . 1 1 509 509 GLN C C 509 172.804 172.804 173.532 -0.728 19214 3477 1 5 . 1 1 509 509 GLN CA C 509 54.158 54.158 54.564 -0.406 19214 3478 1 5 . 1 1 509 509 GLN CB C 509 31.078 31.078 31.030 0.048 19214 3479 1 5 . 1 1 509 509 GLN H H 509 8.894 8.894 8.416 0.478 19214 3480 1 5 . 1 1 510 510 ALA N N 510 132.910 132.910 130.183 2.727 19214 3481 1 5 . 1 1 510 510 ALA HA H 510 4.912 4.912 4.751 0.161 19214 3482 1 5 . 1 1 510 510 ALA C C 510 175.581 175.581 176.426 -0.845 19214 3483 1 5 . 1 1 510 510 ALA CA C 510 51.180 51.180 51.288 -0.108 19214 3484 1 5 . 1 1 510 510 ALA CB C 510 19.939 19.939 20.822 -0.883 19214 3485 1 5 . 1 1 510 510 ALA H H 510 9.110 9.110 8.675 0.435 19214 3486 1 5 . 1 1 511 511 THR N N 511 123.543 123.543 122.195 1.348 19214 3487 1 5 . 1 1 511 511 THR HA H 511 4.636 4.636 4.780 -0.144 19214 3488 1 5 . 1 1 511 511 THR C C 511 174.690 174.690 175.562 -0.872 19214 3489 1 5 . 1 1 511 511 THR CA C 511 61.883 61.883 61.810 0.073 19214 3490 1 5 . 1 1 511 511 THR CB C 511 69.826 69.826 69.379 0.446 19214 3491 1 5 . 1 1 511 511 THR H H 511 9.525 9.525 8.280 1.245 19214 3492 1 5 . 1 1 512 512 THR N N 512 129.502 129.502 115.312 14.190 19214 3493 1 5 . 1 1 512 512 THR HA H 512 4.524 4.524 3.923 0.601 19214 3494 1 5 . 1 1 512 512 THR C C 512 172.791 172.791 173.631 -0.840 19214 3495 1 5 . 1 1 512 512 THR CA C 512 63.974 63.974 64.774 -0.800 19214 3496 1 5 . 1 1 512 512 THR CB C 512 69.199 69.199 69.095 0.104 19214 3497 1 5 . 1 1 512 512 THR H H 512 9.024 9.024 8.743 0.281 19214 3498 1 5 . 1 1 513 513 ASP N N 513 113.203 113.203 116.601 -3.398 19214 3499 1 5 . 1 1 513 513 ASP HA H 513 4.891 4.891 4.807 0.084 19214 3500 1 5 . 1 1 513 513 ASP C C 513 179.282 179.282 175.653 3.629 19214 3501 1 5 . 1 1 513 513 ASP CA C 513 51.637 51.637 53.208 -1.571 19214 3502 1 5 . 1 1 513 513 ASP CB C 513 42.591 42.591 42.084 0.507 19214 3503 1 5 . 1 1 513 513 ASP H H 513 7.263 7.263 7.729 -0.466 19214 3504 1 5 . 1 1 514 514 ILE N N 514 122.554 122.554 120.497 2.057 19214 3505 1 5 . 1 1 514 514 ILE HA H 514 3.595 3.595 3.873 -0.278 19214 3506 1 5 . 1 1 514 514 ILE C C 514 175.984 175.984 176.677 -0.693 19214 3507 1 5 . 1 1 514 514 ILE CA C 514 64.552 64.552 63.362 1.190 19214 3508 1 5 . 1 1 514 514 ILE CB C 514 37.796 37.796 37.696 0.100 19214 3509 1 5 . 1 1 514 514 ILE H H 514 9.465 9.465 8.708 0.757 19214 3510 1 5 . 1 1 515 515 PHE N N 515 117.573 117.573 117.622 -0.049 19214 3511 1 5 . 1 1 515 515 PHE HA H 515 4.399 4.399 4.248 0.151 19214 3512 1 5 . 1 1 515 515 PHE C C 515 176.347 176.347 176.154 0.193 19214 3513 1 5 . 1 1 515 515 PHE CA C 515 59.346 59.346 60.003 -0.657 19214 3514 1 5 . 1 1 515 515 PHE CB C 515 37.709 37.709 38.699 -0.990 19214 3515 1 5 . 1 1 515 515 PHE H H 515 7.804 7.804 8.365 -0.561 19214 3516 1 5 . 1 1 516 516 LYS N N 516 118.690 118.690 117.166 1.524 19214 3517 1 5 . 1 1 516 516 LYS HA H 516 4.692 4.692 4.432 0.260 19214 3518 1 5 . 1 1 516 516 LYS C C 516 175.821 175.821 175.647 0.174 19214 3519 1 5 . 1 1 516 516 LYS CA C 516 54.851 54.851 55.451 -0.600 19214 3520 1 5 . 1 1 516 516 LYS CB C 516 33.855 33.855 31.800 2.055 19214 3521 1 5 . 1 1 516 516 LYS H H 516 7.559 7.559 7.668 -0.109 19214 3522 1 5 . 1 1 517 517 ALA N N 517 121.471 121.471 121.804 -0.333 19214 3523 1 5 . 1 1 517 517 ALA HA H 517 4.530 4.530 4.497 0.033 19214 3524 1 5 . 1 1 517 517 ALA CA C 517 52.124 52.124 51.822 0.302 19214 3525 1 5 . 1 1 517 517 ALA CB C 517 20.974 20.974 20.061 0.912 19214 3526 1 5 . 1 1 517 517 ALA H H 517 7.219 7.219 7.210 0.009 19214 3527 1 5 . 1 1 518 518 GLY C C 518 175.423 175.423 174.595 0.828 19214 3528 1 5 . 1 1 518 518 GLY CA C 518 46.692 46.692 45.059 1.633 19214 3529 1 5 . 1 1 519 519 LEU N N 519 119.857 119.857 118.517 1.340 19214 3530 1 5 . 1 1 519 519 LEU HA H 519 4.348 4.348 4.199 0.149 19214 3531 1 5 . 1 1 519 519 LEU C C 519 177.704 177.704 177.307 0.397 19214 3532 1 5 . 1 1 519 519 LEU CA C 519 54.535 54.535 56.142 -1.607 19214 3533 1 5 . 1 1 519 519 LEU CB C 519 41.174 41.174 42.148 -0.974 19214 3534 1 5 . 1 1 519 519 LEU H H 519 8.531 8.531 7.929 0.602 19214 3535 1 5 . 1 1 520 520 THR N N 520 113.386 113.386 109.478 3.908 19214 3536 1 5 . 1 1 520 520 THR HA H 520 4.260 4.260 4.035 0.225 19214 3537 1 5 . 1 1 520 520 THR CA C 520 61.653 61.653 63.765 -2.112 19214 3538 1 5 . 1 1 520 520 THR CB C 520 71.260 71.260 67.641 3.619 19214 3539 1 5 . 1 1 520 520 THR H H 520 9.352 9.352 8.437 0.915 19214 3540 1 5 . 1 1 522 522 CYS HA H 522 4.385 4.385 4.472 -0.087 19214 3541 1 5 . 1 1 522 522 CYS C C 522 175.903 175.903 174.433 1.470 19214 3542 1 5 . 1 1 522 522 CYS CA C 522 58.664 58.664 58.186 0.478 19214 3543 1 5 . 1 1 522 522 CYS CB C 522 31.785 31.785 26.323 5.462 19214 3544 1 5 . 1 1 523 523 HIS N N 523 125.416 125.416 120.392 5.024 19214 3545 1 5 . 1 1 523 523 HIS HA H 523 4.430 4.430 4.386 0.044 19214 3546 1 5 . 1 1 523 523 HIS C C 523 178.292 178.292 176.340 1.952 19214 3547 1 5 . 1 1 523 523 HIS CA C 523 55.874 55.874 56.251 -0.377 19214 3548 1 5 . 1 1 523 523 HIS CB C 523 33.792 33.792 30.636 3.156 19214 3549 1 5 . 1 1 523 523 HIS H H 523 7.210 7.210 7.773 -0.563 19214 3550 1 5 . 1 1 524 524 LEU N N 524 120.382 120.382 120.598 -0.216 19214 3551 1 5 . 1 1 524 524 LEU HA H 524 3.447 3.447 3.581 -0.134 19214 3552 1 5 . 1 1 524 524 LEU C C 524 179.772 179.772 178.226 1.546 19214 3553 1 5 . 1 1 524 524 LEU CA C 524 58.643 58.643 58.565 0.078 19214 3554 1 5 . 1 1 524 524 LEU CB C 524 41.395 41.395 41.196 0.199 19214 3555 1 5 . 1 1 524 524 LEU H H 524 8.407 8.407 8.594 -0.187 19214 3556 1 5 . 1 1 525 525 ASN N N 525 115.617 115.617 117.167 -1.550 19214 3557 1 5 . 1 1 525 525 ASN HA H 525 4.474 4.474 4.420 0.054 19214 3558 1 5 . 1 1 525 525 ASN C C 525 176.493 176.493 176.583 -0.090 19214 3559 1 5 . 1 1 525 525 ASN CA C 525 55.154 55.154 55.762 -0.608 19214 3560 1 5 . 1 1 525 525 ASN CB C 525 38.056 38.056 38.182 -0.126 19214 3561 1 5 . 1 1 525 525 ASN H H 525 8.540 8.540 8.276 0.264 19214 3562 1 5 . 1 1 526 526 GLN N N 526 116.828 116.828 114.861 1.967 19214 3563 1 5 . 1 1 526 526 GLN HA H 526 4.004 4.004 4.386 -0.382 19214 3564 1 5 . 1 1 526 526 GLN C C 526 175.549 175.549 176.690 -1.141 19214 3565 1 5 . 1 1 526 526 GLN CA C 526 57.483 57.483 56.789 0.694 19214 3566 1 5 . 1 1 526 526 GLN CB C 526 29.433 29.433 30.019 -0.586 19214 3567 1 5 . 1 1 526 526 GLN H H 526 7.492 7.492 7.894 -0.402 19214 3568 1 5 . 1 1 527 527 LEU N N 527 115.200 115.200 119.992 -4.792 19214 3569 1 5 . 1 1 527 527 LEU HA H 527 4.064 4.064 4.404 -0.340 19214 3570 1 5 . 1 1 527 527 LEU C C 527 178.808 178.808 177.773 1.035 19214 3571 1 5 . 1 1 527 527 LEU CA C 527 55.460 55.460 56.165 -0.705 19214 3572 1 5 . 1 1 527 527 LEU CB C 527 43.643 43.643 42.726 0.917 19214 3573 1 5 . 1 1 527 527 LEU H H 527 6.803 6.803 8.234 -1.431 19214 3574 1 5 . 1 1 528 528 ARG N N 528 121.174 121.174 120.504 0.670 19214 3575 1 5 . 1 1 528 528 ARG HA H 528 4.230 4.230 4.422 -0.192 19214 3576 1 5 . 1 1 528 528 ARG CA C 528 61.240 61.240 59.781 1.459 19214 3577 1 5 . 1 1 528 528 ARG CB C 528 28.670 28.670 27.801 0.869 19214 3578 1 5 . 1 1 528 528 ARG H H 528 8.763 8.763 8.507 0.256 19214 3579 1 5 . 1 1 529 529 PRO HA H 529 4.397 4.397 4.272 0.125 19214 3580 1 5 . 1 1 529 529 PRO C C 529 176.672 176.672 177.670 -0.998 19214 3581 1 5 . 1 1 529 529 PRO CA C 529 65.693 65.693 65.221 0.472 19214 3582 1 5 . 1 1 529 529 PRO CB C 529 30.983 30.983 31.234 -0.251 19214 3583 1 5 . 1 1 530 530 LEU N N 530 112.952 112.952 115.532 -2.580 19214 3584 1 5 . 1 1 530 530 LEU HA H 530 4.198 4.198 4.201 -0.003 19214 3585 1 5 . 1 1 530 530 LEU C C 530 176.746 176.746 176.634 0.112 19214 3586 1 5 . 1 1 530 530 LEU CA C 530 53.564 53.564 54.951 -1.387 19214 3587 1 5 . 1 1 530 530 LEU CB C 530 42.143 42.143 41.758 0.385 19214 3588 1 5 . 1 1 530 530 LEU H H 530 6.762 6.762 7.889 -1.127 19214 3589 1 5 . 1 1 531 531 LYS N N 531 114.491 114.491 113.600 0.891 19214 3590 1 5 . 1 1 531 531 LYS HA H 531 3.921 3.921 3.984 -0.063 19214 3591 1 5 . 1 1 531 531 LYS C C 531 173.427 173.427 175.707 -2.280 19214 3592 1 5 . 1 1 531 531 LYS CA C 531 56.732 56.732 56.813 -0.081 19214 3593 1 5 . 1 1 531 531 LYS CB C 531 28.329 28.329 29.789 -1.460 19214 3594 1 5 . 1 1 531 531 LYS H H 531 8.319 8.319 7.773 0.546 19214 3595 1 5 . 1 1 532 532 VAL N N 532 114.641 114.641 113.672 0.969 19214 3596 1 5 . 1 1 532 532 VAL HA H 532 2.631 2.631 3.969 -1.338 19214 3597 1 5 . 1 1 532 532 VAL C C 532 174.660 174.660 175.569 -0.909 19214 3598 1 5 . 1 1 532 532 VAL CA C 532 65.644 65.644 62.563 3.081 19214 3599 1 5 . 1 1 532 532 VAL CB C 532 32.120 32.120 31.107 1.013 19214 3600 1 5 . 1 1 532 532 VAL H H 532 6.295 6.295 7.211 -0.916 19214 3601 1 5 . 1 1 533 533 ARG N N 533 120.970 120.970 125.343 -4.373 19214 3602 1 5 . 1 1 533 533 ARG HA H 533 4.473 4.473 4.379 0.094 19214 3603 1 5 . 1 1 533 533 ARG C C 533 173.734 173.734 175.608 -1.874 19214 3604 1 5 . 1 1 533 533 ARG CA C 533 55.062 55.062 56.922 -1.861 19214 3605 1 5 . 1 1 533 533 ARG CB C 533 30.163 30.163 31.188 -1.025 19214 3606 1 5 . 1 1 533 533 ARG H H 533 8.446 8.446 7.997 0.449 19214 3607 1 5 . 1 1 534 534 ALA N N 534 123.443 123.443 119.622 3.821 19214 3608 1 5 . 1 1 534 534 ALA HA H 534 4.842 4.842 4.772 0.070 19214 3609 1 5 . 1 1 534 534 ALA C C 534 176.821 176.821 175.483 1.338 19214 3610 1 5 . 1 1 534 534 ALA CA C 534 51.093 51.093 50.580 0.513 19214 3611 1 5 . 1 1 534 534 ALA CB C 534 24.474 24.474 22.185 2.289 19214 3612 1 5 . 1 1 534 534 ALA H H 534 8.477 8.477 7.389 1.088 19214 3613 1 5 . 1 1 535 535 ASN N N 535 121.981 121.981 121.138 0.843 19214 3614 1 5 . 1 1 535 535 ASN HA H 535 5.709 5.709 5.105 0.604 19214 3615 1 5 . 1 1 535 535 ASN C C 535 171.453 171.453 173.274 -1.821 19214 3616 1 5 . 1 1 535 535 ASN CA C 535 52.188 52.188 52.670 -0.482 19214 3617 1 5 . 1 1 535 535 ASN CB C 535 44.081 44.081 42.070 2.011 19214 3618 1 5 . 1 1 535 535 ASN H H 535 8.910 8.910 8.570 0.340 19214 3619 1 5 . 1 1 536 536 LEU N N 536 132.341 132.341 127.155 5.186 19214 3620 1 5 . 1 1 536 536 LEU HA H 536 5.104 5.104 4.281 0.823 19214 3621 1 5 . 1 1 536 536 LEU C C 536 173.245 173.245 173.716 -0.471 19214 3622 1 5 . 1 1 536 536 LEU CA C 536 53.812 53.812 53.450 0.362 19214 3623 1 5 . 1 1 536 536 LEU CB C 536 41.977 41.977 44.697 -2.720 19214 3624 1 5 . 1 1 536 536 LEU H H 536 9.242 9.242 7.450 1.792 19214 3625 1 5 . 1 1 537 537 VAL N N 537 126.829 126.829 126.019 0.810 19214 3626 1 5 . 1 1 537 537 VAL HA H 537 4.580 4.580 4.875 -0.295 19214 3627 1 5 . 1 1 537 537 VAL C C 537 174.764 174.764 174.567 0.197 19214 3628 1 5 . 1 1 537 537 VAL CA C 537 61.450 61.450 60.218 1.232 19214 3629 1 5 . 1 1 537 537 VAL CB C 537 35.260 35.260 35.853 -0.593 19214 3630 1 5 . 1 1 537 537 VAL H H 537 9.258 9.258 8.196 1.062 19214 3631 1 5 . 1 1 538 538 VAL N N 538 120.280 120.280 118.314 1.966 19214 3632 1 5 . 1 1 538 538 VAL HA H 538 5.240 5.240 4.792 0.448 19214 3633 1 5 . 1 1 538 538 VAL CA C 538 56.785 56.785 58.398 -1.613 19214 3634 1 5 . 1 1 538 538 VAL CB C 538 33.470 33.470 34.801 -1.331 19214 3635 1 5 . 1 1 538 538 VAL H H 538 8.809 8.809 8.020 0.789 19214 3636 1 5 . 1 1 539 539 PRO HA H 539 4.756 4.756 4.570 0.186 19214 3637 1 5 . 1 1 539 539 PRO C C 539 175.826 175.826 175.692 0.134 19214 3638 1 5 . 1 1 539 539 PRO CA C 539 62.754 62.754 62.893 -0.139 19214 3639 1 5 . 1 1 539 539 PRO CB C 539 34.400 34.400 32.562 1.838 19214 3640 1 5 . 1 1 540 540 MET N N 540 118.724 118.724 124.521 -5.797 19214 3641 1 5 . 1 1 540 540 MET HA H 540 4.397 4.397 4.852 -0.455 19214 3642 1 5 . 1 1 540 540 MET C C 540 173.839 173.839 173.969 -0.130 19214 3643 1 5 . 1 1 540 540 MET CA C 540 55.758 55.758 54.928 0.830 19214 3644 1 5 . 1 1 540 540 MET CB C 540 34.217 34.217 34.912 -0.695 19214 3645 1 5 . 1 1 540 540 MET H H 540 8.360 8.360 8.035 0.325 19214 3646 1 5 . 1 1 541 541 VAL N N 541 125.320 125.320 121.538 3.782 19214 3647 1 5 . 1 1 541 541 VAL HA H 541 5.100 5.100 5.374 -0.274 19214 3648 1 5 . 1 1 541 541 VAL C C 541 174.569 174.569 173.315 1.254 19214 3649 1 5 . 1 1 541 541 VAL CA C 541 60.526 60.526 59.203 1.323 19214 3650 1 5 . 1 1 541 541 VAL CB C 541 34.461 34.461 35.255 -0.794 19214 3651 1 5 . 1 1 541 541 VAL H H 541 8.383 8.383 8.296 0.087 19214 3652 1 5 . 1 1 542 542 ILE N N 542 125.677 125.677 121.951 3.726 19214 3653 1 5 . 1 1 542 542 ILE HA H 542 4.256 4.256 4.339 -0.083 19214 3654 1 5 . 1 1 542 542 ILE C C 542 175.815 175.815 175.062 0.753 19214 3655 1 5 . 1 1 542 542 ILE CA C 542 60.441 60.441 60.432 0.009 19214 3656 1 5 . 1 1 542 542 ILE CB C 542 41.219 41.219 40.889 0.331 19214 3657 1 5 . 1 1 542 542 ILE H H 542 8.470 8.470 9.016 -0.546 19214 3658 1 5 . 1 1 543 543 ASP N N 543 130.204 130.204 126.492 3.712 19214 3659 1 5 . 1 1 543 543 ASP HA H 543 4.150 4.150 4.412 -0.262 19214 3660 1 5 . 1 1 543 543 ASP CA C 543 56.014 56.014 55.507 0.507 19214 3661 1 5 . 1 1 543 543 ASP CB C 543 39.515 39.515 40.012 -0.497 19214 3662 1 5 . 1 1 543 543 ASP H H 543 9.650 9.650 8.869 0.781 19214 3663 1 5 . 1 1 544 544 ASP HA H 544 4.180 4.180 4.263 -0.083 19214 3664 1 5 . 1 1 544 544 ASP C C 544 174.473 174.473 175.523 -1.050 19214 3665 1 5 . 1 1 544 544 ASP CA C 544 55.500 55.500 55.420 0.080 19214 3666 1 5 . 1 1 544 544 ASP CB C 544 40.941 40.941 39.849 1.092 19214 3667 1 5 . 1 1 545 545 GLN N N 545 117.251 117.251 117.143 0.108 19214 3668 1 5 . 1 1 545 545 GLN CA C 545 53.533 53.533 54.385 -0.852 19214 3669 1 5 . 1 1 545 545 GLN H H 545 7.868 7.868 7.530 0.338 19214 3670 1 5 . 1 1 546 546 LEU C C 546 174.500 174.500 175.509 -1.009 19214 3671 1 5 . 1 1 547 547 PHE N N 547 130.200 130.200 127.687 2.513 19214 3672 1 5 . 1 1 547 547 PHE HA H 547 4.650 4.650 4.804 -0.154 19214 3673 1 5 . 1 1 547 547 PHE C C 547 176.033 176.033 174.463 1.570 19214 3674 1 5 . 1 1 547 547 PHE CA C 547 59.700 59.700 58.497 1.203 19214 3675 1 5 . 1 1 547 547 PHE CB C 547 40.800 40.800 42.385 -1.585 19214 3676 1 5 . 1 1 547 547 PHE H H 547 9.120 9.120 8.439 0.681 19214 3677 1 5 . 1 1 548 548 GLY N N 548 102.705 102.705 104.025 -1.320 19214 3678 1 5 . 1 1 548 548 GLY C C 548 169.494 169.494 171.415 -1.921 19214 3679 1 5 . 1 1 548 548 GLY CA C 548 46.008 46.008 45.103 0.905 19214 3680 1 5 . 1 1 548 548 GLY H H 548 7.939 7.939 7.530 0.409 19214 3681 1 5 . 1 1 549 549 LEU N N 549 118.437 118.437 118.726 -0.289 19214 3682 1 5 . 1 1 549 549 LEU HA H 549 4.870 4.870 4.861 0.009 19214 3683 1 5 . 1 1 549 549 LEU C C 549 173.746 173.746 175.031 -1.285 19214 3684 1 5 . 1 1 549 549 LEU CA C 549 53.108 53.108 54.593 -1.485 19214 3685 1 5 . 1 1 549 549 LEU CB C 549 44.752 44.752 46.936 -2.184 19214 3686 1 5 . 1 1 549 549 LEU H H 549 9.279 9.279 7.352 1.927 19214 3687 1 5 . 1 1 550 550 LEU N N 550 127.359 127.359 122.907 4.452 19214 3688 1 5 . 1 1 550 550 LEU HA H 550 4.881 4.881 4.746 0.135 19214 3689 1 5 . 1 1 550 550 LEU C C 550 174.669 174.669 175.539 -0.870 19214 3690 1 5 . 1 1 550 550 LEU CA C 550 54.216 54.216 54.370 -0.153 19214 3691 1 5 . 1 1 550 550 LEU CB C 550 42.954 42.954 43.747 -0.793 19214 3692 1 5 . 1 1 550 550 LEU H H 550 9.068 9.068 7.944 1.124 19214 3693 1 5 . 1 1 551 551 ILE N N 551 126.177 126.177 123.434 2.743 19214 3694 1 5 . 1 1 551 551 ILE HA H 551 5.234 5.234 5.135 0.099 19214 3695 1 5 . 1 1 551 551 ILE C C 551 173.709 173.709 174.078 -0.369 19214 3696 1 5 . 1 1 551 551 ILE CA C 551 59.720 59.720 59.228 0.492 19214 3697 1 5 . 1 1 551 551 ILE CB C 551 42.210 42.210 41.151 1.059 19214 3698 1 5 . 1 1 551 551 ILE H H 551 8.584 8.584 7.910 0.674 19214 3699 1 5 . 1 1 552 552 ALA N N 552 129.345 129.345 128.099 1.246 19214 3700 1 5 . 1 1 552 552 ALA HA H 552 5.194 5.194 4.638 0.556 19214 3701 1 5 . 1 1 552 552 ALA C C 552 175.549 175.549 175.333 0.216 19214 3702 1 5 . 1 1 552 552 ALA CA C 552 49.380 49.380 50.436 -1.056 19214 3703 1 5 . 1 1 552 552 ALA CB C 552 23.712 23.712 20.931 2.781 19214 3704 1 5 . 1 1 552 552 ALA H H 552 9.709 9.709 7.965 1.744 19214 3705 1 5 . 1 1 553 553 HIS N N 553 115.303 115.303 122.132 -6.829 19214 3706 1 5 . 1 1 553 553 HIS HA H 553 6.162 6.162 5.172 0.990 19214 3707 1 5 . 1 1 553 553 HIS C C 553 177.121 177.121 174.462 2.659 19214 3708 1 5 . 1 1 553 553 HIS CA C 553 51.965 51.965 54.337 -2.372 19214 3709 1 5 . 1 1 553 553 HIS CB C 553 36.593 36.593 31.978 4.615 19214 3710 1 5 . 1 1 553 553 HIS H H 553 9.151 9.151 8.152 0.999 19214 3711 1 5 . 1 1 554 554 GLN N N 554 124.107 124.107 124.907 -0.800 19214 3712 1 5 . 1 1 554 554 GLN HA H 554 4.540 4.540 4.360 0.180 19214 3713 1 5 . 1 1 554 554 GLN C C 554 174.320 174.320 175.091 -0.771 19214 3714 1 5 . 1 1 554 554 GLN CA C 554 55.976 55.976 55.234 0.742 19214 3715 1 5 . 1 1 554 554 GLN CB C 554 30.828 30.828 29.797 1.030 19214 3716 1 5 . 1 1 554 554 GLN H H 554 8.647 8.647 8.930 -0.283 19214 3717 1 5 . 1 1 555 555 ALA N N 555 136.582 136.582 129.154 7.428 19214 3718 1 5 . 1 1 555 555 ALA HA H 555 4.617 4.617 4.414 0.203 19214 3719 1 5 . 1 1 555 555 ALA C C 555 177.422 177.422 177.436 -0.014 19214 3720 1 5 . 1 1 555 555 ALA CA C 555 52.406 52.406 52.880 -0.474 19214 3721 1 5 . 1 1 555 555 ALA CB C 555 19.553 19.553 18.158 1.395 19214 3722 1 5 . 1 1 555 555 ALA H H 555 11.550 11.550 8.512 3.038 19214 3723 1 5 . 1 1 556 556 SER N N 556 111.945 111.945 111.719 0.226 19214 3724 1 5 . 1 1 556 556 SER HA H 556 4.044 4.044 4.367 -0.323 19214 3725 1 5 . 1 1 556 556 SER C C 556 174.912 174.912 173.661 1.251 19214 3726 1 5 . 1 1 556 556 SER CA C 556 61.145 61.145 59.374 1.771 19214 3727 1 5 . 1 1 556 556 SER CB C 556 62.905 62.905 63.748 -0.843 19214 3728 1 5 . 1 1 556 556 SER H H 556 8.083 8.083 8.296 -0.213 19214 3729 1 5 . 1 1 557 557 GLU N N 557 117.238 117.238 116.985 0.253 19214 3730 1 5 . 1 1 557 557 GLU CA C 557 53.900 53.900 54.160 -0.260 19214 3731 1 5 . 1 1 557 557 GLU CB C 557 30.171 30.171 30.062 0.109 19214 3732 1 5 . 1 1 557 557 GLU H H 557 7.318 7.318 7.608 -0.290 19214 3733 1 5 . 1 1 558 558 PRO HA H 558 4.194 4.194 4.399 -0.205 19214 3734 1 5 . 1 1 558 558 PRO C C 558 174.855 174.855 175.582 -0.727 19214 3735 1 5 . 1 1 558 558 PRO CA C 558 62.915 62.915 63.028 -0.113 19214 3736 1 5 . 1 1 558 558 PRO CB C 558 32.862 32.862 32.173 0.688 19214 3737 1 5 . 1 1 559 559 ARG N N 559 121.957 121.957 122.065 -0.108 19214 3738 1 5 . 1 1 559 559 ARG HA H 559 3.945 3.945 4.344 -0.399 19214 3739 1 5 . 1 1 559 559 ARG C C 559 171.134 171.134 174.638 -3.504 19214 3740 1 5 . 1 1 559 559 ARG CA C 559 55.538 55.538 53.963 1.575 19214 3741 1 5 . 1 1 559 559 ARG CB C 559 33.169 33.169 31.538 1.631 19214 3742 1 5 . 1 1 559 559 ARG H H 559 7.836 7.836 7.975 -0.139 19214 3743 1 5 . 1 1 560 560 GLN N N 560 126.067 126.067 122.788 3.279 19214 3744 1 5 . 1 1 560 560 GLN HA H 560 4.372 4.372 3.622 0.750 19214 3745 1 5 . 1 1 560 560 GLN C C 560 175.848 175.848 175.074 0.774 19214 3746 1 5 . 1 1 560 560 GLN CA C 560 53.622 53.622 54.534 -0.912 19214 3747 1 5 . 1 1 560 560 GLN CB C 560 27.811 27.811 28.598 -0.787 19214 3748 1 5 . 1 1 560 560 GLN H H 560 8.332 8.332 8.231 0.101 19214 3749 1 5 . 1 1 561 561 TRP N N 561 133.373 133.373 127.215 6.158 19214 3750 1 5 . 1 1 561 561 TRP HA H 561 4.522 4.522 4.429 0.093 19214 3751 1 5 . 1 1 561 561 TRP C C 561 176.141 176.141 175.708 0.433 19214 3752 1 5 . 1 1 561 561 TRP CA C 561 56.337 56.337 56.841 -0.504 19214 3753 1 5 . 1 1 561 561 TRP CB C 561 28.840 28.840 29.606 -0.766 19214 3754 1 5 . 1 1 561 561 TRP H H 561 7.982 7.982 7.147 0.835 19214 3755 1 5 . 1 1 562 562 GLN N N 562 124.678 124.678 121.093 3.585 19214 3756 1 5 . 1 1 562 562 GLN HA H 562 4.454 4.454 4.491 -0.037 19214 3757 1 5 . 1 1 562 562 GLN C C 562 177.088 177.088 177.184 -0.096 19214 3758 1 5 . 1 1 562 562 GLN CA C 562 54.676 54.676 54.813 -0.137 19214 3759 1 5 . 1 1 562 562 GLN CB C 562 30.526 30.526 30.240 0.286 19214 3760 1 5 . 1 1 562 562 GLN H H 562 9.763 9.763 8.429 1.334 19214 3761 1 5 . 1 1 563 563 GLU N N 563 124.545 124.545 126.628 -2.083 19214 3762 1 5 . 1 1 563 563 GLU HA H 563 3.907 3.907 4.020 -0.113 19214 3763 1 5 . 1 1 563 563 GLU C C 563 178.742 178.742 178.539 0.203 19214 3764 1 5 . 1 1 563 563 GLU CA C 563 61.275 61.275 60.278 0.997 19214 3765 1 5 . 1 1 563 563 GLU CB C 563 29.149 29.149 29.666 -0.517 19214 3766 1 5 . 1 1 563 563 GLU H H 563 9.210 9.210 9.069 0.141 19214 3767 1 5 . 1 1 564 564 ILE N N 564 115.275 115.275 118.239 -2.964 19214 3768 1 5 . 1 1 564 564 ILE HA H 564 4.208 4.208 3.957 0.251 19214 3769 1 5 . 1 1 564 564 ILE C C 564 177.462 177.462 177.882 -0.420 19214 3770 1 5 . 1 1 564 564 ILE CA C 564 63.380 63.380 64.132 -0.752 19214 3771 1 5 . 1 1 564 564 ILE CB C 564 37.828 37.828 37.120 0.709 19214 3772 1 5 . 1 1 564 564 ILE H H 564 8.496 8.496 8.041 0.455 19214 3773 1 5 . 1 1 565 565 GLU N N 565 121.174 121.174 121.290 -0.116 19214 3774 1 5 . 1 1 565 565 GLU HA H 565 4.009 4.009 4.197 -0.188 19214 3775 1 5 . 1 1 565 565 GLU C C 565 178.217 178.217 179.580 -1.363 19214 3776 1 5 . 1 1 565 565 GLU CA C 565 58.713 58.713 59.551 -0.838 19214 3777 1 5 . 1 1 565 565 GLU CB C 565 29.685 29.685 29.173 0.512 19214 3778 1 5 . 1 1 565 565 GLU H H 565 6.668 6.668 8.382 -1.714 19214 3779 1 5 . 1 1 566 566 ILE N N 566 119.747 119.747 120.299 -0.552 19214 3780 1 5 . 1 1 566 566 ILE HA H 566 3.387 3.387 3.856 -0.469 19214 3781 1 5 . 1 1 566 566 ILE C C 566 178.911 178.911 178.114 0.797 19214 3782 1 5 . 1 1 566 566 ILE CA C 566 66.484 66.484 64.249 2.235 19214 3783 1 5 . 1 1 566 566 ILE CB C 566 38.410 38.410 36.660 1.750 19214 3784 1 5 . 1 1 566 566 ILE H H 566 8.165 8.165 8.768 -0.603 19214 3785 1 5 . 1 1 567 567 ASP N N 567 120.827 120.827 120.485 0.342 19214 3786 1 5 . 1 1 567 567 ASP HA H 567 4.373 4.373 4.358 0.015 19214 3787 1 5 . 1 1 567 567 ASP C C 567 179.462 179.462 178.837 0.625 19214 3788 1 5 . 1 1 567 567 ASP CA C 567 57.949 57.949 57.661 0.288 19214 3789 1 5 . 1 1 567 567 ASP CB C 567 40.516 40.516 40.706 -0.190 19214 3790 1 5 . 1 1 567 567 ASP H H 567 8.574 8.574 7.789 0.785 19214 3791 1 5 . 1 1 568 568 GLN N N 568 118.625 118.625 119.148 -0.523 19214 3792 1 5 . 1 1 568 568 GLN HA H 568 4.140 4.140 4.247 -0.107 19214 3793 1 5 . 1 1 568 568 GLN C C 568 179.204 179.204 178.791 0.413 19214 3794 1 5 . 1 1 568 568 GLN CA C 568 59.294 59.294 58.559 0.735 19214 3795 1 5 . 1 1 568 568 GLN CB C 568 29.558 29.558 28.944 0.615 19214 3796 1 5 . 1 1 568 568 GLN H H 568 8.321 8.321 8.200 0.121 19214 3797 1 5 . 1 1 569 569 PHE N N 569 124.764 124.764 121.064 3.700 19214 3798 1 5 . 1 1 569 569 PHE HA H 569 4.310 4.310 4.222 0.088 19214 3799 1 5 . 1 1 569 569 PHE C C 569 177.387 177.387 177.153 0.234 19214 3800 1 5 . 1 1 569 569 PHE CA C 569 61.106 61.106 60.666 0.440 19214 3801 1 5 . 1 1 569 569 PHE CB C 569 40.452 40.452 39.237 1.214 19214 3802 1 5 . 1 1 569 569 PHE H H 569 8.999 8.999 8.496 0.503 19214 3803 1 5 . 1 1 570 570 SER N N 570 113.882 113.882 115.228 -1.346 19214 3804 1 5 . 1 1 570 570 SER HA H 570 4.145 4.145 3.954 0.191 19214 3805 1 5 . 1 1 570 570 SER C C 570 177.181 177.181 176.978 0.203 19214 3806 1 5 . 1 1 570 570 SER CA C 570 61.933 61.933 61.773 0.160 19214 3807 1 5 . 1 1 570 570 SER CB C 570 63.049 63.049 62.334 0.715 19214 3808 1 5 . 1 1 570 570 SER H H 570 8.979 8.979 8.748 0.231 19214 3809 1 5 . 1 1 571 571 GLU N N 571 123.710 123.710 121.972 1.738 19214 3810 1 5 . 1 1 571 571 GLU HA H 571 4.146 4.146 3.966 0.180 19214 3811 1 5 . 1 1 571 571 GLU C C 571 179.006 179.006 178.887 0.119 19214 3812 1 5 . 1 1 571 571 GLU CA C 571 59.437 59.437 59.161 0.276 19214 3813 1 5 . 1 1 571 571 GLU CB C 571 29.269 29.269 29.521 -0.252 19214 3814 1 5 . 1 1 571 571 GLU H H 571 8.282 8.282 7.997 0.285 19214 3815 1 5 . 1 1 572 572 LEU N N 572 123.115 123.115 120.625 2.490 19214 3816 1 5 . 1 1 572 572 LEU HA H 572 4.030 4.030 3.959 0.071 19214 3817 1 5 . 1 1 572 572 LEU C C 572 178.204 178.204 178.222 -0.018 19214 3818 1 5 . 1 1 572 572 LEU CA C 572 58.186 58.186 57.983 0.203 19214 3819 1 5 . 1 1 572 572 LEU CB C 572 41.303 41.303 41.654 -0.351 19214 3820 1 5 . 1 1 572 572 LEU H H 572 7.722 7.722 7.425 0.297 19214 3821 1 5 . 1 1 573 573 ALA N N 573 120.384 120.384 120.235 0.149 19214 3822 1 5 . 1 1 573 573 ALA HA H 573 3.703 3.703 3.873 -0.170 19214 3823 1 5 . 1 1 573 573 ALA C C 573 180.276 180.276 179.587 0.689 19214 3824 1 5 . 1 1 573 573 ALA CA C 573 55.577 55.577 54.724 0.853 19214 3825 1 5 . 1 1 573 573 ALA CB C 573 19.090 19.090 17.921 1.169 19214 3826 1 5 . 1 1 573 573 ALA H H 573 7.701 7.701 7.278 0.423 19214 3827 1 5 . 1 1 574 574 SER N N 574 116.150 116.150 113.336 2.814 19214 3828 1 5 . 1 1 574 574 SER HA H 574 4.373 4.373 4.144 0.229 19214 3829 1 5 . 1 1 574 574 SER C C 574 177.259 177.259 176.480 0.779 19214 3830 1 5 . 1 1 574 574 SER CA C 574 61.851 61.851 60.945 0.906 19214 3831 1 5 . 1 1 574 574 SER CB C 574 62.460 62.460 62.865 -0.405 19214 3832 1 5 . 1 1 574 574 SER H H 574 8.679 8.679 8.087 0.592 19214 3833 1 5 . 1 1 575 575 THR N N 575 120.316 120.316 117.233 3.083 19214 3834 1 5 . 1 1 575 575 THR HA H 575 3.985 3.985 3.990 -0.005 19214 3835 1 5 . 1 1 575 575 THR C C 575 177.023 177.023 177.071 -0.048 19214 3836 1 5 . 1 1 575 575 THR CA C 575 66.859 66.859 66.428 0.431 19214 3837 1 5 . 1 1 575 575 THR CB C 575 68.370 68.370 68.552 -0.181 19214 3838 1 5 . 1 1 575 575 THR H H 575 8.685 8.685 7.895 0.790 19214 3839 1 5 . 1 1 576 576 GLY N N 576 107.996 107.996 109.732 -1.736 19214 3840 1 5 . 1 1 576 576 GLY C C 576 174.096 174.096 175.525 -1.429 19214 3841 1 5 . 1 1 576 576 GLY CA C 576 47.730 47.730 47.182 0.548 19214 3842 1 5 . 1 1 576 576 GLY H H 576 8.565 8.565 7.887 0.678 19214 3843 1 5 . 1 1 577 577 SER N N 577 118.026 118.026 118.277 -0.251 19214 3844 1 5 . 1 1 577 577 SER HA H 577 3.840 3.840 3.959 -0.119 19214 3845 1 5 . 1 1 577 577 SER CA C 577 63.146 63.146 61.398 1.748 19214 3846 1 5 . 1 1 577 577 SER H H 577 8.425 8.425 7.365 1.060 19214 3847 1 5 . 1 1 578 578 LEU HA H 578 3.700 3.700 3.948 -0.248 19214 3848 1 5 . 1 1 578 578 LEU C C 578 179.316 179.316 179.191 0.125 19214 3849 1 5 . 1 1 578 578 LEU CA C 578 57.995 57.995 57.661 0.334 19214 3850 1 5 . 1 1 578 578 LEU CB C 578 41.739 41.739 41.591 0.148 19214 3851 1 5 . 1 1 579 579 VAL N N 579 122.330 122.330 118.606 3.724 19214 3852 1 5 . 1 1 579 579 VAL CB C 579 31.123 31.123 31.688 -0.565 19214 3853 1 5 . 1 1 579 579 VAL H H 579 8.773 8.773 7.178 1.595 19214 3854 1 5 . 1 1 584 584 HIS HA H 584 4.332 4.332 4.205 0.127 19214 3855 1 5 . 1 1 584 584 HIS C C 584 177.320 177.320 177.448 -0.128 19214 3856 1 5 . 1 1 584 584 HIS CA C 584 59.034 59.034 60.633 -1.599 19214 3857 1 5 . 1 1 584 584 HIS CB C 584 29.981 29.981 29.794 0.187 19214 3858 1 5 . 1 1 585 585 PHE N N 585 118.557 118.557 117.079 1.478 19214 3859 1 5 . 1 1 585 585 PHE HA H 585 4.316 4.316 4.261 0.055 19214 3860 1 5 . 1 1 585 585 PHE C C 585 178.195 178.195 177.368 0.827 19214 3861 1 5 . 1 1 585 585 PHE CA C 585 60.326 60.326 61.717 -1.391 19214 3862 1 5 . 1 1 585 585 PHE CB C 585 38.773 38.773 39.018 -0.245 19214 3863 1 5 . 1 1 585 585 PHE H H 585 8.065 8.065 7.855 0.210 19214 3864 1 5 . 1 1 586 586 LEU N N 586 121.964 121.964 122.519 -0.555 19214 3865 1 5 . 1 1 586 586 LEU HA H 586 4.060 4.060 4.133 -0.073 19214 3866 1 5 . 1 1 586 586 LEU C C 586 178.863 178.863 178.966 -0.103 19214 3867 1 5 . 1 1 586 586 LEU CA C 586 57.423 57.423 58.106 -0.683 19214 3868 1 5 . 1 1 586 586 LEU CB C 586 42.042 42.042 41.753 0.289 19214 3869 1 5 . 1 1 586 586 LEU H H 586 8.153 8.153 8.335 -0.182 19214 3870 1 5 . 1 1 587 587 GLU N N 587 119.163 119.163 117.094 2.069 19214 3871 1 5 . 1 1 587 587 GLU HA H 587 4.016 4.016 3.920 0.096 19214 3872 1 5 . 1 1 587 587 GLU C C 587 178.330 178.330 179.341 -1.011 19214 3873 1 5 . 1 1 587 587 GLU CA C 587 58.475 58.475 59.640 -1.165 19214 3874 1 5 . 1 1 587 587 GLU CB C 587 29.825 29.825 28.912 0.913 19214 3875 1 5 . 1 1 587 587 GLU H H 587 8.234 8.234 8.885 -0.651 19214 3876 1 5 . 1 1 588 588 GLN N N 588 118.390 118.390 118.108 0.282 19214 3877 1 5 . 1 1 588 588 GLN HA H 588 4.136 4.136 4.094 0.042 19214 3878 1 5 . 1 1 588 588 GLN C C 588 177.452 177.452 178.587 -1.135 19214 3879 1 5 . 1 1 588 588 GLN CA C 588 57.188 57.188 58.369 -1.181 19214 3880 1 5 . 1 1 588 588 GLN CB C 588 28.932 28.932 28.140 0.792 19214 3881 1 5 . 1 1 588 588 GLN H H 588 8.003 8.003 7.452 0.551 19214 3882 1 5 . 1 1 589 589 THR N N 589 115.070 115.070 114.878 0.192 19214 3883 1 5 . 1 1 589 589 THR HA H 589 4.136 4.136 3.934 0.202 19214 3884 1 5 . 1 1 589 589 THR C C 589 175.620 175.620 176.761 -1.141 19214 3885 1 5 . 1 1 589 589 THR CA C 589 63.840 63.840 66.221 -2.381 19214 3886 1 5 . 1 1 589 589 THR CB C 589 69.380 69.380 68.576 0.804 19214 3887 1 5 . 1 1 589 589 THR H H 589 7.957 7.957 8.582 -0.625 19214 3888 1 5 . 1 1 590 590 ILE N N 590 122.655 122.655 121.615 1.040 19214 3889 1 5 . 1 1 590 590 ILE HA H 590 3.926 3.926 3.922 0.004 19214 3890 1 5 . 1 1 590 590 ILE C C 590 176.914 176.914 176.999 -0.085 19214 3891 1 5 . 1 1 590 590 ILE CA C 590 62.663 62.663 64.222 -1.559 19214 3892 1 5 . 1 1 590 590 ILE CB C 590 38.222 38.222 36.943 1.279 19214 3893 1 5 . 1 1 590 590 ILE H H 590 7.985 7.985 8.226 -0.241 19214 3894 1 5 . 1 1 591 591 ALA N N 591 125.105 125.105 120.549 4.556 19214 3895 1 5 . 1 1 591 591 ALA HA H 591 4.181 4.181 4.106 0.075 19214 3896 1 5 . 1 1 591 591 ALA C C 591 178.466 178.466 179.714 -1.248 19214 3897 1 5 . 1 1 591 591 ALA CA C 591 53.502 53.502 54.388 -0.886 19214 3898 1 5 . 1 1 591 591 ALA CB C 591 18.788 18.788 18.946 -0.158 19214 3899 1 5 . 1 1 591 591 ALA H H 591 8.086 8.086 7.557 0.529 19214 3900 1 5 . 1 1 592 592 SER N N 592 113.591 113.591 113.138 0.453 19214 3901 1 5 . 1 1 592 592 SER HA H 592 4.298 4.298 4.266 0.032 19214 3902 1 5 . 1 1 592 592 SER C C 592 174.886 174.886 174.752 0.134 19214 3903 1 5 . 1 1 592 592 SER CA C 592 58.939 58.939 61.171 -2.232 19214 3904 1 5 . 1 1 592 592 SER CB C 592 63.738 63.738 63.844 -0.106 19214 3905 1 5 . 1 1 592 592 SER H H 592 7.957 7.957 7.695 0.262 19214 3906 1 6 . 1 1 431 431 ALA HA H 431 4.315 4.315 4.141 0.174 19214 3907 1 6 . 1 1 431 431 ALA C C 431 177.643 177.643 179.359 -1.716 19214 3908 1 6 . 1 1 431 431 ALA CA C 431 52.380 52.380 54.145 -1.765 19214 3909 1 6 . 1 1 431 431 ALA CB C 431 19.190 19.190 18.555 0.635 19214 3910 1 6 . 1 1 432 432 VAL N N 432 120.312 120.312 117.516 2.796 19214 3911 1 6 . 1 1 432 432 VAL HA H 432 4.019 4.019 3.778 0.241 19214 3912 1 6 . 1 1 432 432 VAL C C 432 175.763 175.763 177.057 -1.294 19214 3913 1 6 . 1 1 432 432 VAL CA C 432 62.234 62.234 64.361 -2.127 19214 3914 1 6 . 1 1 432 432 VAL CB C 432 33.009 33.009 31.894 1.115 19214 3915 1 6 . 1 1 432 432 VAL H H 432 8.178 8.178 8.084 0.094 19214 3916 1 6 . 1 1 433 433 GLN N N 433 124.379 124.379 118.014 6.365 19214 3917 1 6 . 1 1 433 433 GLN CB C 433 29.519 29.519 28.424 1.095 19214 3918 1 6 . 1 1 433 433 GLN H H 433 8.502 8.502 7.528 0.974 19214 3919 1 6 . 1 1 435 435 SER HA H 435 4.069 4.069 4.193 -0.124 19214 3920 1 6 . 1 1 435 435 SER C C 435 178.994 178.994 175.073 3.921 19214 3921 1 6 . 1 1 435 435 SER CA C 435 60.511 60.511 60.651 -0.140 19214 3922 1 6 . 1 1 435 435 SER CB C 435 62.860 62.860 63.169 -0.309 19214 3923 1 6 . 1 1 436 436 GLU N N 436 119.753 119.753 119.938 -0.185 19214 3924 1 6 . 1 1 436 436 GLU HA H 436 4.293 4.293 4.108 0.185 19214 3925 1 6 . 1 1 436 436 GLU C C 436 176.644 176.644 176.487 0.157 19214 3926 1 6 . 1 1 436 436 GLU CA C 436 56.016 56.016 57.228 -1.212 19214 3927 1 6 . 1 1 436 436 GLU CB C 436 30.335 30.335 29.871 0.464 19214 3928 1 6 . 1 1 436 436 GLU H H 436 7.805 7.805 7.437 0.368 19214 3929 1 6 . 1 1 437 437 LEU N N 437 120.618 120.618 120.662 -0.044 19214 3930 1 6 . 1 1 437 437 LEU HA H 437 4.150 4.150 4.217 -0.067 19214 3931 1 6 . 1 1 437 437 LEU CA C 437 55.497 55.497 55.761 -0.264 19214 3932 1 6 . 1 1 437 437 LEU CB C 437 43.460 43.460 42.330 1.130 19214 3933 1 6 . 1 1 437 437 LEU H H 437 7.352 7.352 7.262 0.090 19214 3934 1 6 . 1 1 440 440 ARG HA H 440 3.240 3.240 3.989 -0.749 19214 3935 1 6 . 1 1 440 440 ARG C C 440 175.895 175.895 178.210 -2.315 19214 3936 1 6 . 1 1 440 440 ARG CA C 440 60.040 60.040 59.467 0.573 19214 3937 1 6 . 1 1 440 440 ARG CB C 440 30.218 30.218 30.433 -0.215 19214 3938 1 6 . 1 1 441 441 GLN N N 441 117.761 117.761 117.376 0.385 19214 3939 1 6 . 1 1 441 441 GLN HA H 441 3.894 3.894 4.301 -0.407 19214 3940 1 6 . 1 1 441 441 GLN C C 441 177.959 177.959 178.112 -0.153 19214 3941 1 6 . 1 1 441 441 GLN CA C 441 58.904 58.904 58.970 -0.066 19214 3942 1 6 . 1 1 441 441 GLN CB C 441 27.387 27.387 28.043 -0.656 19214 3943 1 6 . 1 1 441 441 GLN H H 441 8.075 8.075 8.168 -0.094 19214 3944 1 6 . 1 1 442 442 ALA N N 442 120.325 120.325 123.541 -3.216 19214 3945 1 6 . 1 1 442 442 ALA HA H 442 4.142 4.142 4.128 0.014 19214 3946 1 6 . 1 1 442 442 ALA C C 442 181.535 181.535 180.056 1.479 19214 3947 1 6 . 1 1 442 442 ALA CA C 442 54.843 54.843 55.196 -0.353 19214 3948 1 6 . 1 1 442 442 ALA CB C 442 18.746 18.746 18.199 0.547 19214 3949 1 6 . 1 1 442 442 ALA H H 442 7.859 7.859 7.416 0.443 19214 3950 1 6 . 1 1 443 443 ILE N N 443 120.878 120.878 114.775 6.103 19214 3951 1 6 . 1 1 443 443 ILE HA H 443 3.412 3.412 3.656 -0.244 19214 3952 1 6 . 1 1 443 443 ILE C C 443 177.554 177.554 177.458 0.096 19214 3953 1 6 . 1 1 443 443 ILE CA C 443 65.839 65.839 64.458 1.381 19214 3954 1 6 . 1 1 443 443 ILE CB C 443 37.236 37.236 37.151 0.085 19214 3955 1 6 . 1 1 443 443 ILE H H 443 7.668 7.668 7.537 0.131 19214 3956 1 6 . 1 1 444 444 PHE N N 444 119.157 119.157 120.849 -1.692 19214 3957 1 6 . 1 1 444 444 PHE HA H 444 4.364 4.364 4.206 0.158 19214 3958 1 6 . 1 1 444 444 PHE C C 444 178.054 178.054 177.888 0.166 19214 3959 1 6 . 1 1 444 444 PHE CA C 444 58.952 58.952 61.776 -2.824 19214 3960 1 6 . 1 1 444 444 PHE CB C 444 37.948 37.948 38.868 -0.920 19214 3961 1 6 . 1 1 444 444 PHE H H 444 8.128 8.128 7.329 0.799 19214 3962 1 6 . 1 1 445 445 GLU N N 445 116.382 116.382 119.163 -2.781 19214 3963 1 6 . 1 1 445 445 GLU HA H 445 3.985 3.985 4.041 -0.056 19214 3964 1 6 . 1 1 445 445 GLU C C 445 179.563 179.563 179.458 0.105 19214 3965 1 6 . 1 1 445 445 GLU CA C 445 59.156 59.156 59.522 -0.366 19214 3966 1 6 . 1 1 445 445 GLU CB C 445 29.177 29.177 29.463 -0.286 19214 3967 1 6 . 1 1 445 445 GLU H H 445 8.711 8.711 9.051 -0.340 19214 3968 1 6 . 1 1 446 446 THR N N 446 118.118 118.118 116.947 1.171 19214 3969 1 6 . 1 1 446 446 THR HA H 446 4.066 4.066 3.987 0.079 19214 3970 1 6 . 1 1 446 446 THR C C 446 175.861 175.861 176.061 -0.200 19214 3971 1 6 . 1 1 446 446 THR CA C 446 67.041 67.041 67.055 -0.014 19214 3972 1 6 . 1 1 446 446 THR CB C 446 68.218 68.218 68.888 -0.670 19214 3973 1 6 . 1 1 446 446 THR H H 446 8.105 8.105 7.760 0.345 19214 3974 1 6 . 1 1 447 447 LEU N N 447 121.874 121.874 121.793 0.081 19214 3975 1 6 . 1 1 447 447 LEU HA H 447 3.852 3.852 3.868 -0.016 19214 3976 1 6 . 1 1 447 447 LEU C C 447 179.512 179.512 178.645 0.867 19214 3977 1 6 . 1 1 447 447 LEU CA C 447 58.956 58.956 58.185 0.771 19214 3978 1 6 . 1 1 447 447 LEU CB C 447 42.493 42.493 41.294 1.199 19214 3979 1 6 . 1 1 447 447 LEU H H 447 8.552 8.552 7.481 1.071 19214 3980 1 6 . 1 1 448 448 VAL N N 448 108.313 108.313 118.031 -9.718 19214 3981 1 6 . 1 1 448 448 VAL HA H 448 4.039 4.039 3.710 0.329 19214 3982 1 6 . 1 1 448 448 VAL C C 448 177.323 177.323 176.886 0.437 19214 3983 1 6 . 1 1 448 448 VAL CA C 448 64.562 64.562 66.087 -1.525 19214 3984 1 6 . 1 1 448 448 VAL CB C 448 30.055 30.055 31.785 -1.730 19214 3985 1 6 . 1 1 448 448 VAL H H 448 7.695 7.695 7.535 0.160 19214 3986 1 6 . 1 1 449 449 ALA N N 449 124.683 124.683 122.260 2.423 19214 3987 1 6 . 1 1 449 449 ALA HA H 449 4.246 4.246 4.032 0.214 19214 3988 1 6 . 1 1 449 449 ALA C C 449 181.275 181.275 179.769 1.506 19214 3989 1 6 . 1 1 449 449 ALA CA C 449 55.054 55.054 55.184 -0.130 19214 3990 1 6 . 1 1 449 449 ALA CB C 449 18.528 18.528 18.203 0.326 19214 3991 1 6 . 1 1 449 449 ALA H H 449 7.421 7.421 7.536 -0.115 19214 3992 1 6 . 1 1 450 450 LYS N N 450 118.092 118.092 118.522 -0.430 19214 3993 1 6 . 1 1 450 450 LYS HA H 450 4.170 4.170 4.232 -0.062 19214 3994 1 6 . 1 1 450 450 LYS C C 450 180.083 180.083 179.478 0.605 19214 3995 1 6 . 1 1 450 450 LYS CA C 450 58.219 58.219 58.959 -0.740 19214 3996 1 6 . 1 1 450 450 LYS CB C 450 31.697 31.697 32.639 -0.942 19214 3997 1 6 . 1 1 450 450 LYS H H 450 8.806 8.806 8.076 0.730 19214 3998 1 6 . 1 1 451 451 GLY N N 451 108.217 108.217 108.445 -0.228 19214 3999 1 6 . 1 1 451 451 GLY C C 451 173.724 173.724 176.006 -2.282 19214 4000 1 6 . 1 1 451 451 GLY CA C 451 47.965 47.965 47.676 0.289 19214 4001 1 6 . 1 1 451 451 GLY H H 451 8.816 8.816 8.811 0.005 19214 4002 1 6 . 1 1 452 452 ARG N N 452 122.310 122.310 119.976 2.334 19214 4003 1 6 . 1 1 452 452 ARG HA H 452 4.100 4.100 3.945 0.155 19214 4004 1 6 . 1 1 452 452 ARG C C 452 178.908 178.908 177.683 1.225 19214 4005 1 6 . 1 1 452 452 ARG CA C 452 60.504 60.504 59.233 1.271 19214 4006 1 6 . 1 1 452 452 ARG CB C 452 30.208 30.208 29.715 0.493 19214 4007 1 6 . 1 1 452 452 ARG H H 452 8.190 8.190 8.139 0.051 19214 4008 1 6 . 1 1 453 453 GLU N N 453 119.749 119.749 119.239 0.510 19214 4009 1 6 . 1 1 453 453 GLU HA H 453 4.076 4.076 4.168 -0.092 19214 4010 1 6 . 1 1 453 453 GLU C C 453 178.638 178.638 178.742 -0.104 19214 4011 1 6 . 1 1 453 453 GLU CA C 453 58.999 58.999 58.710 0.289 19214 4012 1 6 . 1 1 453 453 GLU CB C 453 30.188 30.188 29.862 0.326 19214 4013 1 6 . 1 1 453 453 GLU H H 453 7.872 7.872 7.449 0.423 19214 4014 1 6 . 1 1 454 454 LEU N N 454 119.235 119.235 119.069 0.166 19214 4015 1 6 . 1 1 454 454 LEU HA H 454 4.157 4.157 4.131 0.026 19214 4016 1 6 . 1 1 454 454 LEU C C 454 178.446 178.446 178.938 -0.492 19214 4017 1 6 . 1 1 454 454 LEU CA C 454 57.868 57.868 57.613 0.255 19214 4018 1 6 . 1 1 454 454 LEU CB C 454 43.001 43.001 42.616 0.385 19214 4019 1 6 . 1 1 454 454 LEU H H 454 8.275 8.275 8.523 -0.248 19214 4020 1 6 . 1 1 455 455 LEU N N 455 112.983 112.983 115.457 -2.474 19214 4021 1 6 . 1 1 455 455 LEU HA H 455 4.406 4.406 4.142 0.264 19214 4022 1 6 . 1 1 455 455 LEU C C 455 177.047 177.047 177.115 -0.068 19214 4023 1 6 . 1 1 455 455 LEU CA C 455 54.730 54.730 55.621 -0.891 19214 4024 1 6 . 1 1 455 455 LEU CB C 455 43.848 43.848 42.316 1.532 19214 4025 1 6 . 1 1 455 455 LEU H H 455 7.393 7.393 8.139 -0.746 19214 4026 1 6 . 1 1 456 456 ALA N N 456 124.090 124.090 118.550 5.540 19214 4027 1 6 . 1 1 456 456 ALA HA H 456 4.239 4.239 4.092 0.147 19214 4028 1 6 . 1 1 456 456 ALA C C 456 177.010 177.010 176.712 0.298 19214 4029 1 6 . 1 1 456 456 ALA CA C 456 52.955 52.955 52.630 0.325 19214 4030 1 6 . 1 1 456 456 ALA CB C 456 16.479 16.479 16.203 0.276 19214 4031 1 6 . 1 1 456 456 ALA H H 456 8.567 8.567 7.654 0.913 19214 4032 1 6 . 1 1 457 457 CYS N N 457 111.388 111.388 116.714 -5.326 19214 4033 1 6 . 1 1 457 457 CYS HA H 457 5.658 5.658 4.512 1.146 19214 4034 1 6 . 1 1 457 457 CYS C C 457 173.094 173.094 174.177 -1.083 19214 4035 1 6 . 1 1 457 457 CYS CA C 457 54.770 54.770 58.489 -3.719 19214 4036 1 6 . 1 1 457 457 CYS CB C 457 29.803 29.803 29.212 0.591 19214 4037 1 6 . 1 1 457 457 CYS H H 457 6.942 6.942 7.706 -0.764 19214 4038 1 6 . 1 1 458 458 ASP N N 458 117.058 117.058 118.835 -1.777 19214 4039 1 6 . 1 1 458 458 ASP HA H 458 4.808 4.808 4.785 0.023 19214 4040 1 6 . 1 1 458 458 ASP C C 458 175.313 175.313 175.098 0.215 19214 4041 1 6 . 1 1 458 458 ASP CA C 458 57.780 57.780 54.683 3.097 19214 4042 1 6 . 1 1 458 458 ASP CB C 458 42.699 42.699 43.138 -0.439 19214 4043 1 6 . 1 1 458 458 ASP H H 458 7.157 7.157 8.404 -1.247 19214 4044 1 6 . 1 1 459 459 ARG N N 459 117.570 117.570 117.639 -0.069 19214 4045 1 6 . 1 1 459 459 ARG HA H 459 5.396 5.396 4.616 0.780 19214 4046 1 6 . 1 1 459 459 ARG C C 459 174.465 174.465 173.814 0.651 19214 4047 1 6 . 1 1 459 459 ARG CA C 459 55.628 55.628 55.486 0.142 19214 4048 1 6 . 1 1 459 459 ARG CB C 459 35.127 35.127 33.770 1.357 19214 4049 1 6 . 1 1 459 459 ARG H H 459 7.946 7.946 7.522 0.423 19214 4050 1 6 . 1 1 460 460 VAL N N 460 126.878 126.878 123.148 3.730 19214 4051 1 6 . 1 1 460 460 VAL HA H 460 5.410 5.410 4.563 0.847 19214 4052 1 6 . 1 1 460 460 VAL C C 460 174.698 174.698 173.823 0.875 19214 4053 1 6 . 1 1 460 460 VAL CA C 460 61.229 61.229 61.407 -0.179 19214 4054 1 6 . 1 1 460 460 VAL CB C 460 35.335 35.335 36.214 -0.879 19214 4055 1 6 . 1 1 460 460 VAL H H 460 9.200 9.200 8.679 0.521 19214 4056 1 6 . 1 1 461 461 ILE N N 461 120.070 120.070 119.960 0.110 19214 4057 1 6 . 1 1 461 461 ILE HA H 461 5.198 5.198 4.837 0.361 19214 4058 1 6 . 1 1 461 461 ILE C C 461 174.647 174.647 173.666 0.981 19214 4059 1 6 . 1 1 461 461 ILE CA C 461 59.112 59.112 59.657 -0.545 19214 4060 1 6 . 1 1 461 461 ILE CB C 461 42.959 42.959 42.062 0.897 19214 4061 1 6 . 1 1 461 461 ILE H H 461 9.247 9.247 8.748 0.499 19214 4062 1 6 . 1 1 462 462 VAL N N 462 118.676 118.676 122.111 -3.435 19214 4063 1 6 . 1 1 462 462 VAL HA H 462 4.668 4.668 4.545 0.123 19214 4064 1 6 . 1 1 462 462 VAL C C 462 173.970 173.970 174.985 -1.015 19214 4065 1 6 . 1 1 462 462 VAL CA C 462 61.528 61.528 61.194 0.334 19214 4066 1 6 . 1 1 462 462 VAL CB C 462 33.865 33.865 33.707 0.158 19214 4067 1 6 . 1 1 462 462 VAL H H 462 7.400 7.400 8.685 -1.285 19214 4068 1 6 . 1 1 463 463 TYR N N 463 131.551 131.551 124.560 6.991 19214 4069 1 6 . 1 1 463 463 TYR HA H 463 4.937 4.937 5.327 -0.390 19214 4070 1 6 . 1 1 463 463 TYR C C 463 173.196 173.196 172.539 0.657 19214 4071 1 6 . 1 1 463 463 TYR CA C 463 55.589 55.589 55.520 0.069 19214 4072 1 6 . 1 1 463 463 TYR CB C 463 41.849 41.849 41.555 0.294 19214 4073 1 6 . 1 1 463 463 TYR H H 463 8.782 8.782 8.122 0.660 19214 4074 1 6 . 1 1 464 464 ALA N N 464 127.436 127.436 122.681 4.755 19214 4075 1 6 . 1 1 464 464 ALA HA H 464 4.418 4.418 4.354 0.064 19214 4076 1 6 . 1 1 464 464 ALA C C 464 175.095 175.095 174.336 0.759 19214 4077 1 6 . 1 1 464 464 ALA CA C 464 50.422 50.422 49.558 0.864 19214 4078 1 6 . 1 1 464 464 ALA CB C 464 22.676 22.676 22.264 0.412 19214 4079 1 6 . 1 1 464 464 ALA H H 464 8.295 8.295 7.800 0.495 19214 4080 1 6 . 1 1 465 465 PHE N N 465 116.385 116.385 119.144 -2.759 19214 4081 1 6 . 1 1 465 465 PHE HA H 465 4.434 4.434 4.582 -0.148 19214 4082 1 6 . 1 1 465 465 PHE C C 465 176.189 176.189 175.570 0.619 19214 4083 1 6 . 1 1 465 465 PHE CA C 465 56.771 56.771 58.316 -1.545 19214 4084 1 6 . 1 1 465 465 PHE CB C 465 42.082 42.082 38.803 3.279 19214 4085 1 6 . 1 1 465 465 PHE H H 465 7.426 7.426 8.019 -0.593 19214 4086 1 6 . 1 1 466 466 ASP N N 466 121.980 121.980 124.198 -2.218 19214 4087 1 6 . 1 1 466 466 ASP HA H 466 4.765 4.765 4.425 0.340 19214 4088 1 6 . 1 1 466 466 ASP C C 466 178.212 178.212 177.068 1.144 19214 4089 1 6 . 1 1 466 466 ASP CA C 466 52.007 52.007 53.407 -1.400 19214 4090 1 6 . 1 1 466 466 ASP CB C 466 41.201 41.201 42.265 -1.064 19214 4091 1 6 . 1 1 466 466 ASP H H 466 8.012 8.012 7.767 0.245 19214 4092 1 6 . 1 1 467 467 ASP N N 467 116.915 116.915 118.848 -1.933 19214 4093 1 6 . 1 1 467 467 ASP HA H 467 4.146 4.146 4.392 -0.246 19214 4094 1 6 . 1 1 467 467 ASP C C 467 176.189 176.189 175.048 1.141 19214 4095 1 6 . 1 1 467 467 ASP CA C 467 56.172 56.172 54.770 1.402 19214 4096 1 6 . 1 1 467 467 ASP CB C 467 40.189 40.189 40.292 -0.103 19214 4097 1 6 . 1 1 467 467 ASP H H 467 8.335 8.335 8.546 -0.211 19214 4098 1 6 . 1 1 468 468 ASN N N 468 116.918 116.918 116.660 0.258 19214 4099 1 6 . 1 1 468 468 ASN HA H 468 4.689 4.689 4.308 0.381 19214 4100 1 6 . 1 1 468 468 ASN C C 468 174.068 174.068 174.602 -0.534 19214 4101 1 6 . 1 1 468 468 ASN CA C 468 52.711 52.711 51.977 0.734 19214 4102 1 6 . 1 1 468 468 ASN CB C 468 39.418 39.418 38.365 1.053 19214 4103 1 6 . 1 1 468 468 ASN H H 468 8.237 8.237 7.748 0.489 19214 4104 1 6 . 1 1 469 469 TYR N N 469 113.180 113.180 115.328 -2.148 19214 4105 1 6 . 1 1 469 469 TYR HA H 469 3.614 3.614 4.114 -0.500 19214 4106 1 6 . 1 1 469 469 TYR C C 469 173.766 173.766 173.823 -0.057 19214 4107 1 6 . 1 1 469 469 TYR CA C 469 60.636 60.636 58.721 1.915 19214 4108 1 6 . 1 1 469 469 TYR CB C 469 34.697 34.697 35.264 -0.568 19214 4109 1 6 . 1 1 469 469 TYR H H 469 7.975 7.975 7.185 0.790 19214 4110 1 6 . 1 1 470 470 VAL N N 470 120.871 120.871 117.876 2.995 19214 4111 1 6 . 1 1 470 470 VAL HA H 470 4.100 4.100 4.315 -0.215 19214 4112 1 6 . 1 1 470 470 VAL CA C 470 63.555 63.555 60.415 3.140 19214 4113 1 6 . 1 1 470 470 VAL CB C 470 31.054 31.054 33.676 -2.622 19214 4114 1 6 . 1 1 470 470 VAL H H 470 8.354 8.354 7.523 0.831 19214 4115 1 6 . 1 1 474 474 VAL HA H 474 4.288 4.288 3.680 0.608 19214 4116 1 6 . 1 1 474 474 VAL C C 474 175.489 175.489 175.542 -0.053 19214 4117 1 6 . 1 1 474 474 VAL CA C 474 61.669 61.669 64.115 -2.446 19214 4118 1 6 . 1 1 474 474 VAL CB C 474 32.382 32.382 32.031 0.352 19214 4119 1 6 . 1 1 475 475 ALA N N 475 118.920 118.920 118.984 -0.064 19214 4120 1 6 . 1 1 475 475 ALA HA H 475 4.552 4.552 4.571 -0.019 19214 4121 1 6 . 1 1 475 475 ALA C C 475 174.363 174.363 174.725 -0.362 19214 4122 1 6 . 1 1 475 475 ALA CA C 475 52.023 52.023 51.660 0.362 19214 4123 1 6 . 1 1 475 475 ALA CB C 475 23.339 23.339 21.698 1.641 19214 4124 1 6 . 1 1 475 475 ALA H H 475 7.321 7.321 7.307 0.014 19214 4125 1 6 . 1 1 476 476 GLU N N 476 121.933 121.933 121.839 0.094 19214 4126 1 6 . 1 1 476 476 GLU HA H 476 5.128 5.128 4.623 0.505 19214 4127 1 6 . 1 1 476 476 GLU C C 476 173.921 173.921 175.208 -1.287 19214 4128 1 6 . 1 1 476 476 GLU CA C 476 55.372 55.372 55.805 -0.433 19214 4129 1 6 . 1 1 476 476 GLU CB C 476 35.144 35.144 32.447 2.696 19214 4130 1 6 . 1 1 476 476 GLU H H 476 8.969 8.969 8.569 0.400 19214 4131 1 6 . 1 1 477 477 SER N N 477 121.397 121.397 122.644 -1.247 19214 4132 1 6 . 1 1 477 477 SER HA H 477 4.855 4.855 4.935 -0.080 19214 4133 1 6 . 1 1 477 477 SER C C 477 173.315 173.315 172.779 0.536 19214 4134 1 6 . 1 1 477 477 SER CA C 477 56.600 56.600 57.124 -0.525 19214 4135 1 6 . 1 1 477 477 SER CB C 477 64.022 64.022 64.387 -0.365 19214 4136 1 6 . 1 1 477 477 SER H H 477 9.069 9.069 8.597 0.472 19214 4137 1 6 . 1 1 478 478 VAL N N 478 128.194 128.194 122.554 5.640 19214 4138 1 6 . 1 1 478 478 VAL HA H 478 5.287 5.287 4.528 0.759 19214 4139 1 6 . 1 1 478 478 VAL C C 478 173.093 173.093 174.787 -1.694 19214 4140 1 6 . 1 1 478 478 VAL CA C 478 58.849 58.849 59.859 -1.010 19214 4141 1 6 . 1 1 478 478 VAL CB C 478 35.764 35.764 34.666 1.098 19214 4142 1 6 . 1 1 478 478 VAL H H 478 9.081 9.081 8.353 0.728 19214 4143 1 6 . 1 1 479 479 ALA N N 479 129.566 129.566 130.210 -0.644 19214 4144 1 6 . 1 1 479 479 ALA HA H 479 4.358 4.358 4.366 -0.008 19214 4145 1 6 . 1 1 479 479 ALA C C 479 176.760 176.760 177.644 -0.884 19214 4146 1 6 . 1 1 479 479 ALA CA C 479 52.215 52.215 52.316 -0.101 19214 4147 1 6 . 1 1 479 479 ALA CB C 479 20.082 20.082 19.684 0.398 19214 4148 1 6 . 1 1 479 479 ALA H H 479 8.688 8.688 8.373 0.315 19214 4149 1 6 . 1 1 480 480 GLU N N 480 120.391 120.391 120.224 0.167 19214 4150 1 6 . 1 1 480 480 GLU HA H 480 4.011 4.011 4.079 -0.068 19214 4151 1 6 . 1 1 480 480 GLU C C 480 177.201 177.201 177.433 -0.232 19214 4152 1 6 . 1 1 480 480 GLU CA C 480 58.178 58.178 58.354 -0.176 19214 4153 1 6 . 1 1 480 480 GLU CB C 480 29.829 29.829 29.770 0.059 19214 4154 1 6 . 1 1 480 480 GLU H H 480 8.531 8.531 8.571 -0.040 19214 4155 1 6 . 1 1 481 481 GLY N N 481 110.913 110.913 110.430 0.483 19214 4156 1 6 . 1 1 481 481 GLY C C 481 174.000 174.000 174.218 -0.218 19214 4157 1 6 . 1 1 481 481 GLY CA C 481 44.644 44.644 44.274 0.370 19214 4158 1 6 . 1 1 481 481 GLY H H 481 8.557 8.557 8.693 -0.136 19214 4159 1 6 . 1 1 482 482 TRP N N 482 119.571 119.571 122.588 -3.017 19214 4160 1 6 . 1 1 482 482 TRP HA H 482 5.200 5.200 5.019 0.181 19214 4161 1 6 . 1 1 482 482 TRP CA C 482 53.641 53.641 54.336 -0.695 19214 4162 1 6 . 1 1 482 482 TRP CB C 482 29.556 29.556 29.496 0.060 19214 4163 1 6 . 1 1 482 482 TRP H H 482 7.066 7.066 7.146 -0.080 19214 4164 1 6 . 1 1 484 484 GLN CB C 484 28.700 28.700 27.721 0.979 19214 4165 1 6 . 1 1 485 485 ALA HA H 485 4.021 4.021 4.207 -0.186 19214 4166 1 6 . 1 1 485 485 ALA C C 485 180.181 180.181 178.880 1.301 19214 4167 1 6 . 1 1 485 485 ALA CA C 485 55.328 55.328 54.066 1.262 19214 4168 1 6 . 1 1 485 485 ALA CB C 485 18.537 18.537 18.766 -0.229 19214 4169 1 6 . 1 1 486 486 ARG N N 486 114.901 114.901 117.577 -2.676 19214 4170 1 6 . 1 1 486 486 ARG HA H 486 4.104 4.104 4.031 0.073 19214 4171 1 6 . 1 1 486 486 ARG C C 486 176.165 176.165 176.593 -0.428 19214 4172 1 6 . 1 1 486 486 ARG CA C 486 58.068 58.068 58.711 -0.642 19214 4173 1 6 . 1 1 486 486 ARG CB C 486 29.624 29.624 29.896 -0.272 19214 4174 1 6 . 1 1 486 486 ARG H H 486 8.998 8.998 8.399 0.599 19214 4175 1 6 . 1 1 487 487 ASP N N 487 117.227 117.227 116.744 0.483 19214 4176 1 6 . 1 1 487 487 ASP HA H 487 4.724 4.724 4.634 0.090 19214 4177 1 6 . 1 1 487 487 ASP C C 487 175.859 175.859 176.173 -0.314 19214 4178 1 6 . 1 1 487 487 ASP CA C 487 54.873 54.873 55.276 -0.403 19214 4179 1 6 . 1 1 487 487 ASP CB C 487 41.415 41.415 41.065 0.350 19214 4180 1 6 . 1 1 487 487 ASP H H 487 7.424 7.424 7.822 -0.398 19214 4181 1 6 . 1 1 488 488 GLN N N 488 117.558 117.558 119.177 -1.619 19214 4182 1 6 . 1 1 488 488 GLN HA H 488 4.471 4.471 4.476 -0.005 19214 4183 1 6 . 1 1 488 488 GLN C C 488 175.010 175.010 175.034 -0.024 19214 4184 1 6 . 1 1 488 488 GLN CA C 488 54.037 54.037 55.153 -1.116 19214 4185 1 6 . 1 1 488 488 GLN CB C 488 29.989 29.989 30.089 -0.100 19214 4186 1 6 . 1 1 488 488 GLN H H 488 7.548 7.548 8.031 -0.483 19214 4187 1 6 . 1 1 489 489 VAL N N 489 122.991 122.991 124.277 -1.286 19214 4188 1 6 . 1 1 489 489 VAL HA H 489 4.102 4.102 4.183 -0.081 19214 4189 1 6 . 1 1 489 489 VAL C C 489 175.471 175.471 176.225 -0.754 19214 4190 1 6 . 1 1 489 489 VAL CA C 489 62.947 62.947 61.071 1.877 19214 4191 1 6 . 1 1 489 489 VAL CB C 489 31.473 31.473 32.829 -1.356 19214 4192 1 6 . 1 1 489 489 VAL H H 489 8.426 8.426 8.457 -0.031 19214 4193 1 6 . 1 1 490 490 ILE N N 490 128.401 128.401 125.458 2.943 19214 4194 1 6 . 1 1 490 490 ILE HA H 490 4.310 4.310 3.949 0.361 19214 4195 1 6 . 1 1 490 490 ILE H H 490 8.474 8.474 8.416 0.058 19214 4196 1 6 . 1 1 491 491 GLU HA H 491 4.361 4.361 4.115 0.246 19214 4197 1 6 . 1 1 491 491 GLU C C 491 174.175 174.175 176.674 -2.499 19214 4198 1 6 . 1 1 491 491 GLU CA C 491 54.874 54.874 57.337 -2.463 19214 4199 1 6 . 1 1 491 491 GLU CB C 491 31.063 31.063 30.100 0.963 19214 4200 1 6 . 1 1 492 492 ASP N N 492 117.270 117.270 121.262 -3.992 19214 4201 1 6 . 1 1 492 492 ASP HA H 492 4.730 4.730 4.666 0.064 19214 4202 1 6 . 1 1 492 492 ASP CA C 492 52.914 52.914 52.746 0.168 19214 4203 1 6 . 1 1 492 492 ASP CB C 492 44.223 44.223 41.181 3.042 19214 4204 1 6 . 1 1 492 492 ASP H H 492 6.870 6.870 7.896 -1.026 19214 4205 1 6 . 1 1 493 493 PRO C C 493 178.700 178.700 176.599 2.101 19214 4206 1 6 . 1 1 493 493 PRO CA C 493 63.429 63.429 62.432 0.997 19214 4207 1 6 . 1 1 493 493 PRO CB C 493 32.064 32.064 33.718 -1.655 19214 4208 1 6 . 1 1 494 494 CYS N N 494 121.800 121.800 120.566 1.234 19214 4209 1 6 . 1 1 494 494 CYS H H 494 8.010 8.010 9.041 -1.031 19214 4210 1 6 . 1 1 495 495 PHE CB C 495 36.800 36.800 39.441 -2.641 19214 4211 1 6 . 1 1 500 500 VAL C C 500 177.132 177.132 177.080 0.052 19214 4212 1 6 . 1 1 501 501 GLU N N 501 117.783 117.783 119.107 -1.324 19214 4213 1 6 . 1 1 501 501 GLU C C 501 178.329 178.329 177.780 0.549 19214 4214 1 6 . 1 1 501 501 GLU H H 501 8.169 8.169 8.001 0.168 19214 4215 1 6 . 1 1 502 502 ALA N N 502 120.877 120.877 121.325 -0.448 19214 4216 1 6 . 1 1 502 502 ALA HA H 502 3.976 3.976 3.838 0.138 19214 4217 1 6 . 1 1 502 502 ALA C C 502 181.216 181.216 179.453 1.763 19214 4218 1 6 . 1 1 502 502 ALA CA C 502 55.113 55.113 54.513 0.600 19214 4219 1 6 . 1 1 502 502 ALA CB C 502 17.660 17.660 17.536 0.124 19214 4220 1 6 . 1 1 502 502 ALA H H 502 7.982 7.982 7.134 0.848 19214 4221 1 6 . 1 1 503 503 TYR N N 503 116.217 116.217 116.849 -0.632 19214 4222 1 6 . 1 1 503 503 TYR HA H 503 4.440 4.440 4.308 0.132 19214 4223 1 6 . 1 1 503 503 TYR C C 503 178.488 178.488 178.707 -0.219 19214 4224 1 6 . 1 1 503 503 TYR CA C 503 62.517 62.517 59.855 2.662 19214 4225 1 6 . 1 1 503 503 TYR CB C 503 38.834 38.834 37.911 0.923 19214 4226 1 6 . 1 1 503 503 TYR H H 503 7.310 7.310 7.183 0.127 19214 4227 1 6 . 1 1 504 504 ARG N N 504 122.384 122.384 119.418 2.966 19214 4228 1 6 . 1 1 504 504 ARG HA H 504 3.748 3.748 4.026 -0.278 19214 4229 1 6 . 1 1 504 504 ARG C C 504 177.207 177.207 176.747 0.460 19214 4230 1 6 . 1 1 504 504 ARG CA C 504 59.734 59.734 58.789 0.945 19214 4231 1 6 . 1 1 504 504 ARG CB C 504 30.200 30.200 29.933 0.267 19214 4232 1 6 . 1 1 504 504 ARG H H 504 8.424 8.424 7.417 1.007 19214 4233 1 6 . 1 1 505 505 GLN N N 505 112.682 112.682 115.700 -3.018 19214 4234 1 6 . 1 1 505 505 GLN HA H 505 4.220 4.220 4.470 -0.250 19214 4235 1 6 . 1 1 505 505 GLN C C 505 176.342 176.342 176.328 0.014 19214 4236 1 6 . 1 1 505 505 GLN CA C 505 55.587 55.587 55.400 0.187 19214 4237 1 6 . 1 1 505 505 GLN CB C 505 28.591 28.591 29.639 -1.048 19214 4238 1 6 . 1 1 505 505 GLN H H 505 7.436 7.436 7.295 0.141 19214 4239 1 6 . 1 1 506 506 GLY N N 506 107.068 107.068 109.232 -2.164 19214 4240 1 6 . 1 1 506 506 GLY C C 506 174.202 174.202 173.815 0.387 19214 4241 1 6 . 1 1 506 506 GLY CA C 506 45.499 45.499 45.027 0.472 19214 4242 1 6 . 1 1 506 506 GLY H H 506 7.910 7.910 8.196 -0.286 19214 4243 1 6 . 1 1 507 507 ARG N N 507 123.044 123.044 119.862 3.182 19214 4244 1 6 . 1 1 507 507 ARG HA H 507 3.857 3.857 4.299 -0.442 19214 4245 1 6 . 1 1 507 507 ARG C C 507 172.375 172.375 175.532 -3.157 19214 4246 1 6 . 1 1 507 507 ARG CA C 507 57.969 57.969 56.080 1.889 19214 4247 1 6 . 1 1 507 507 ARG CB C 507 30.269 30.269 31.251 -0.982 19214 4248 1 6 . 1 1 507 507 ARG H H 507 7.934 7.934 7.553 0.381 19214 4249 1 6 . 1 1 508 508 ILE N N 508 120.600 120.600 119.691 0.909 19214 4250 1 6 . 1 1 508 508 ILE HA H 508 4.819 4.819 4.415 0.404 19214 4251 1 6 . 1 1 508 508 ILE C C 508 177.238 177.238 174.599 2.639 19214 4252 1 6 . 1 1 508 508 ILE CA C 508 59.801 59.801 59.919 -0.118 19214 4253 1 6 . 1 1 508 508 ILE CB C 508 41.877 41.877 38.896 2.981 19214 4254 1 6 . 1 1 508 508 ILE H H 508 7.572 7.572 8.074 -0.502 19214 4255 1 6 . 1 1 509 509 GLN N N 509 127.676 127.676 128.060 -0.384 19214 4256 1 6 . 1 1 509 509 GLN HA H 509 4.761 4.761 4.696 0.065 19214 4257 1 6 . 1 1 509 509 GLN C C 509 172.804 172.804 173.867 -1.063 19214 4258 1 6 . 1 1 509 509 GLN CA C 509 54.158 54.158 54.878 -0.720 19214 4259 1 6 . 1 1 509 509 GLN CB C 509 31.078 31.078 31.472 -0.394 19214 4260 1 6 . 1 1 509 509 GLN H H 509 8.894 8.894 8.366 0.528 19214 4261 1 6 . 1 1 510 510 ALA N N 510 132.910 132.910 130.433 2.477 19214 4262 1 6 . 1 1 510 510 ALA HA H 510 4.912 4.912 4.840 0.072 19214 4263 1 6 . 1 1 510 510 ALA C C 510 175.581 175.581 176.521 -0.940 19214 4264 1 6 . 1 1 510 510 ALA CA C 510 51.180 51.180 51.204 -0.024 19214 4265 1 6 . 1 1 510 510 ALA CB C 510 19.939 19.939 21.077 -1.138 19214 4266 1 6 . 1 1 510 510 ALA H H 510 9.110 9.110 8.773 0.337 19214 4267 1 6 . 1 1 511 511 THR N N 511 123.543 123.543 123.269 0.274 19214 4268 1 6 . 1 1 511 511 THR HA H 511 4.636 4.636 4.793 -0.157 19214 4269 1 6 . 1 1 511 511 THR C C 511 174.690 174.690 175.613 -0.923 19214 4270 1 6 . 1 1 511 511 THR CA C 511 61.883 61.883 61.696 0.187 19214 4271 1 6 . 1 1 511 511 THR CB C 511 69.826 69.826 69.465 0.361 19214 4272 1 6 . 1 1 511 511 THR H H 511 9.525 9.525 8.310 1.215 19214 4273 1 6 . 1 1 512 512 THR N N 512 129.502 129.502 115.949 13.553 19214 4274 1 6 . 1 1 512 512 THR HA H 512 4.524 4.524 3.999 0.525 19214 4275 1 6 . 1 1 512 512 THR C C 512 172.791 172.791 173.670 -0.879 19214 4276 1 6 . 1 1 512 512 THR CA C 512 63.974 63.974 64.972 -0.998 19214 4277 1 6 . 1 1 512 512 THR CB C 512 69.199 69.199 69.119 0.080 19214 4278 1 6 . 1 1 512 512 THR H H 512 9.024 9.024 8.799 0.225 19214 4279 1 6 . 1 1 513 513 ASP N N 513 113.203 113.203 116.392 -3.189 19214 4280 1 6 . 1 1 513 513 ASP HA H 513 4.891 4.891 4.856 0.035 19214 4281 1 6 . 1 1 513 513 ASP C C 513 179.282 179.282 175.957 3.325 19214 4282 1 6 . 1 1 513 513 ASP CA C 513 51.637 51.637 53.462 -1.825 19214 4283 1 6 . 1 1 513 513 ASP CB C 513 42.591 42.591 42.117 0.474 19214 4284 1 6 . 1 1 513 513 ASP H H 513 7.263 7.263 7.765 -0.502 19214 4285 1 6 . 1 1 514 514 ILE N N 514 122.554 122.554 121.175 1.379 19214 4286 1 6 . 1 1 514 514 ILE HA H 514 3.595 3.595 3.890 -0.295 19214 4287 1 6 . 1 1 514 514 ILE C C 514 175.984 175.984 176.452 -0.468 19214 4288 1 6 . 1 1 514 514 ILE CA C 514 64.552 64.552 62.950 1.602 19214 4289 1 6 . 1 1 514 514 ILE CB C 514 37.796 37.796 37.705 0.091 19214 4290 1 6 . 1 1 514 514 ILE H H 514 9.465 9.465 8.808 0.657 19214 4291 1 6 . 1 1 515 515 PHE N N 515 117.573 117.573 117.503 0.070 19214 4292 1 6 . 1 1 515 515 PHE HA H 515 4.399 4.399 4.271 0.128 19214 4293 1 6 . 1 1 515 515 PHE C C 515 176.347 176.347 176.363 -0.016 19214 4294 1 6 . 1 1 515 515 PHE CA C 515 59.346 59.346 59.881 -0.535 19214 4295 1 6 . 1 1 515 515 PHE CB C 515 37.709 37.709 38.599 -0.890 19214 4296 1 6 . 1 1 515 515 PHE H H 515 7.804 7.804 8.393 -0.589 19214 4297 1 6 . 1 1 516 516 LYS N N 516 118.690 118.690 117.721 0.969 19214 4298 1 6 . 1 1 516 516 LYS HA H 516 4.692 4.692 4.377 0.315 19214 4299 1 6 . 1 1 516 516 LYS C C 516 175.821 175.821 175.519 0.302 19214 4300 1 6 . 1 1 516 516 LYS CA C 516 54.851 54.851 55.695 -0.844 19214 4301 1 6 . 1 1 516 516 LYS CB C 516 33.855 33.855 31.753 2.102 19214 4302 1 6 . 1 1 516 516 LYS H H 516 7.559 7.559 7.678 -0.119 19214 4303 1 6 . 1 1 517 517 ALA N N 517 121.471 121.471 120.833 0.638 19214 4304 1 6 . 1 1 517 517 ALA HA H 517 4.530 4.530 4.568 -0.038 19214 4305 1 6 . 1 1 517 517 ALA CA C 517 52.124 52.124 51.369 0.755 19214 4306 1 6 . 1 1 517 517 ALA CB C 517 20.974 20.974 20.875 0.099 19214 4307 1 6 . 1 1 517 517 ALA H H 517 7.219 7.219 7.178 0.041 19214 4308 1 6 . 1 1 518 518 GLY C C 518 175.423 175.423 174.710 0.713 19214 4309 1 6 . 1 1 518 518 GLY CA C 518 46.692 46.692 45.337 1.355 19214 4310 1 6 . 1 1 519 519 LEU N N 519 119.857 119.857 117.878 1.979 19214 4311 1 6 . 1 1 519 519 LEU HA H 519 4.348 4.348 4.097 0.251 19214 4312 1 6 . 1 1 519 519 LEU C C 519 177.704 177.704 178.689 -0.985 19214 4313 1 6 . 1 1 519 519 LEU CA C 519 54.535 54.535 56.389 -1.854 19214 4314 1 6 . 1 1 519 519 LEU CB C 519 41.174 41.174 41.652 -0.478 19214 4315 1 6 . 1 1 519 519 LEU H H 519 8.531 8.531 7.728 0.803 19214 4316 1 6 . 1 1 520 520 THR N N 520 113.386 113.386 110.212 3.174 19214 4317 1 6 . 1 1 520 520 THR HA H 520 4.260 4.260 3.809 0.451 19214 4318 1 6 . 1 1 520 520 THR CA C 520 61.653 61.653 65.450 -3.797 19214 4319 1 6 . 1 1 520 520 THR CB C 520 71.260 71.260 68.155 3.105 19214 4320 1 6 . 1 1 520 520 THR H H 520 9.352 9.352 8.657 0.695 19214 4321 1 6 . 1 1 522 522 CYS HA H 522 4.385 4.385 4.305 0.080 19214 4322 1 6 . 1 1 522 522 CYS C C 522 175.903 175.903 174.232 1.671 19214 4323 1 6 . 1 1 522 522 CYS CA C 522 58.664 58.664 59.402 -0.738 19214 4324 1 6 . 1 1 522 522 CYS CB C 522 31.785 31.785 26.360 5.425 19214 4325 1 6 . 1 1 523 523 HIS N N 523 125.416 125.416 120.275 5.141 19214 4326 1 6 . 1 1 523 523 HIS HA H 523 4.430 4.430 4.406 0.024 19214 4327 1 6 . 1 1 523 523 HIS C C 523 178.292 178.292 176.411 1.881 19214 4328 1 6 . 1 1 523 523 HIS CA C 523 55.874 55.874 56.321 -0.447 19214 4329 1 6 . 1 1 523 523 HIS CB C 523 33.792 33.792 30.521 3.271 19214 4330 1 6 . 1 1 523 523 HIS H H 523 7.210 7.210 7.768 -0.558 19214 4331 1 6 . 1 1 524 524 LEU N N 524 120.382 120.382 120.664 -0.282 19214 4332 1 6 . 1 1 524 524 LEU HA H 524 3.447 3.447 3.604 -0.157 19214 4333 1 6 . 1 1 524 524 LEU C C 524 179.772 179.772 178.194 1.578 19214 4334 1 6 . 1 1 524 524 LEU CA C 524 58.643 58.643 58.448 0.195 19214 4335 1 6 . 1 1 524 524 LEU CB C 524 41.395 41.395 41.161 0.234 19214 4336 1 6 . 1 1 524 524 LEU H H 524 8.407 8.407 8.597 -0.190 19214 4337 1 6 . 1 1 525 525 ASN N N 525 115.617 115.617 115.965 -0.348 19214 4338 1 6 . 1 1 525 525 ASN HA H 525 4.474 4.474 4.318 0.156 19214 4339 1 6 . 1 1 525 525 ASN C C 525 176.493 176.493 176.773 -0.280 19214 4340 1 6 . 1 1 525 525 ASN CA C 525 55.154 55.154 55.679 -0.525 19214 4341 1 6 . 1 1 525 525 ASN CB C 525 38.056 38.056 38.190 -0.134 19214 4342 1 6 . 1 1 525 525 ASN H H 525 8.540 8.540 8.509 0.031 19214 4343 1 6 . 1 1 526 526 GLN N N 526 116.828 116.828 115.422 1.406 19214 4344 1 6 . 1 1 526 526 GLN HA H 526 4.004 4.004 4.391 -0.387 19214 4345 1 6 . 1 1 526 526 GLN C C 526 175.549 175.549 177.034 -1.485 19214 4346 1 6 . 1 1 526 526 GLN CA C 526 57.483 57.483 56.570 0.913 19214 4347 1 6 . 1 1 526 526 GLN CB C 526 29.433 29.433 29.863 -0.430 19214 4348 1 6 . 1 1 526 526 GLN H H 526 7.492 7.492 7.886 -0.394 19214 4349 1 6 . 1 1 527 527 LEU N N 527 115.200 115.200 119.749 -4.549 19214 4350 1 6 . 1 1 527 527 LEU HA H 527 4.064 4.064 4.415 -0.351 19214 4351 1 6 . 1 1 527 527 LEU C C 527 178.808 178.808 177.489 1.319 19214 4352 1 6 . 1 1 527 527 LEU CA C 527 55.460 55.460 56.598 -1.138 19214 4353 1 6 . 1 1 527 527 LEU CB C 527 43.643 43.643 42.707 0.936 19214 4354 1 6 . 1 1 527 527 LEU H H 527 6.803 6.803 8.079 -1.276 19214 4355 1 6 . 1 1 528 528 ARG N N 528 121.174 121.174 120.490 0.684 19214 4356 1 6 . 1 1 528 528 ARG HA H 528 4.230 4.230 4.420 -0.190 19214 4357 1 6 . 1 1 528 528 ARG CA C 528 61.240 61.240 59.797 1.443 19214 4358 1 6 . 1 1 528 528 ARG CB C 528 28.670 28.670 27.733 0.937 19214 4359 1 6 . 1 1 528 528 ARG H H 528 8.763 8.763 8.559 0.204 19214 4360 1 6 . 1 1 529 529 PRO HA H 529 4.397 4.397 4.251 0.146 19214 4361 1 6 . 1 1 529 529 PRO C C 529 176.672 176.672 177.477 -0.805 19214 4362 1 6 . 1 1 529 529 PRO CA C 529 65.693 65.693 65.338 0.355 19214 4363 1 6 . 1 1 529 529 PRO CB C 529 30.983 30.983 31.171 -0.188 19214 4364 1 6 . 1 1 530 530 LEU N N 530 112.952 112.952 114.628 -1.676 19214 4365 1 6 . 1 1 530 530 LEU HA H 530 4.198 4.198 4.161 0.037 19214 4366 1 6 . 1 1 530 530 LEU C C 530 176.746 176.746 176.666 0.080 19214 4367 1 6 . 1 1 530 530 LEU CA C 530 53.564 53.564 55.003 -1.439 19214 4368 1 6 . 1 1 530 530 LEU CB C 530 42.143 42.143 41.704 0.439 19214 4369 1 6 . 1 1 530 530 LEU H H 530 6.762 6.762 7.914 -1.152 19214 4370 1 6 . 1 1 531 531 LYS N N 531 114.491 114.491 113.567 0.924 19214 4371 1 6 . 1 1 531 531 LYS HA H 531 3.921 3.921 3.948 -0.027 19214 4372 1 6 . 1 1 531 531 LYS C C 531 173.427 173.427 175.701 -2.274 19214 4373 1 6 . 1 1 531 531 LYS CA C 531 56.732 56.732 56.834 -0.102 19214 4374 1 6 . 1 1 531 531 LYS CB C 531 28.329 28.329 29.456 -1.127 19214 4375 1 6 . 1 1 531 531 LYS H H 531 8.319 8.319 7.814 0.505 19214 4376 1 6 . 1 1 532 532 VAL N N 532 114.641 114.641 113.511 1.130 19214 4377 1 6 . 1 1 532 532 VAL HA H 532 2.631 2.631 3.901 -1.270 19214 4378 1 6 . 1 1 532 532 VAL C C 532 174.660 174.660 175.303 -0.643 19214 4379 1 6 . 1 1 532 532 VAL CA C 532 65.644 65.644 63.152 2.492 19214 4380 1 6 . 1 1 532 532 VAL CB C 532 32.120 32.120 31.181 0.939 19214 4381 1 6 . 1 1 532 532 VAL H H 532 6.295 6.295 7.147 -0.852 19214 4382 1 6 . 1 1 533 533 ARG N N 533 120.970 120.970 125.474 -4.504 19214 4383 1 6 . 1 1 533 533 ARG HA H 533 4.473 4.473 4.323 0.150 19214 4384 1 6 . 1 1 533 533 ARG C C 533 173.734 173.734 175.680 -1.946 19214 4385 1 6 . 1 1 533 533 ARG CA C 533 55.062 55.062 56.807 -1.745 19214 4386 1 6 . 1 1 533 533 ARG CB C 533 30.163 30.163 30.872 -0.709 19214 4387 1 6 . 1 1 533 533 ARG H H 533 8.446 8.446 8.038 0.408 19214 4388 1 6 . 1 1 534 534 ALA N N 534 123.443 123.443 118.918 4.525 19214 4389 1 6 . 1 1 534 534 ALA HA H 534 4.842 4.842 4.759 0.083 19214 4390 1 6 . 1 1 534 534 ALA C C 534 176.821 176.821 175.303 1.518 19214 4391 1 6 . 1 1 534 534 ALA CA C 534 51.093 51.093 50.620 0.472 19214 4392 1 6 . 1 1 534 534 ALA CB C 534 24.474 24.474 22.328 2.146 19214 4393 1 6 . 1 1 534 534 ALA H H 534 8.477 8.477 7.406 1.071 19214 4394 1 6 . 1 1 535 535 ASN N N 535 121.981 121.981 121.145 0.836 19214 4395 1 6 . 1 1 535 535 ASN HA H 535 5.709 5.709 5.105 0.604 19214 4396 1 6 . 1 1 535 535 ASN C C 535 171.453 171.453 172.958 -1.505 19214 4397 1 6 . 1 1 535 535 ASN CA C 535 52.188 52.188 52.874 -0.687 19214 4398 1 6 . 1 1 535 535 ASN CB C 535 44.081 44.081 42.575 1.506 19214 4399 1 6 . 1 1 535 535 ASN H H 535 8.910 8.910 8.627 0.283 19214 4400 1 6 . 1 1 536 536 LEU N N 536 132.341 132.341 127.055 5.286 19214 4401 1 6 . 1 1 536 536 LEU HA H 536 5.104 5.104 4.293 0.811 19214 4402 1 6 . 1 1 536 536 LEU C C 536 173.245 173.245 173.787 -0.542 19214 4403 1 6 . 1 1 536 536 LEU CA C 536 53.812 53.812 53.714 0.098 19214 4404 1 6 . 1 1 536 536 LEU CB C 536 41.977 41.977 44.513 -2.536 19214 4405 1 6 . 1 1 536 536 LEU H H 536 9.242 9.242 7.580 1.662 19214 4406 1 6 . 1 1 537 537 VAL N N 537 126.829 126.829 125.220 1.609 19214 4407 1 6 . 1 1 537 537 VAL HA H 537 4.580 4.580 4.922 -0.342 19214 4408 1 6 . 1 1 537 537 VAL C C 537 174.764 174.764 174.401 0.363 19214 4409 1 6 . 1 1 537 537 VAL CA C 537 61.450 61.450 60.450 1.000 19214 4410 1 6 . 1 1 537 537 VAL CB C 537 35.260 35.260 35.776 -0.516 19214 4411 1 6 . 1 1 537 537 VAL H H 537 9.258 9.258 8.293 0.965 19214 4412 1 6 . 1 1 538 538 VAL N N 538 120.280 120.280 117.940 2.340 19214 4413 1 6 . 1 1 538 538 VAL HA H 538 5.240 5.240 4.783 0.457 19214 4414 1 6 . 1 1 538 538 VAL CA C 538 56.785 56.785 58.458 -1.673 19214 4415 1 6 . 1 1 538 538 VAL CB C 538 33.470 33.470 34.446 -0.976 19214 4416 1 6 . 1 1 538 538 VAL H H 538 8.809 8.809 7.978 0.831 19214 4417 1 6 . 1 1 539 539 PRO HA H 539 4.756 4.756 4.493 0.263 19214 4418 1 6 . 1 1 539 539 PRO C C 539 175.826 175.826 175.747 0.079 19214 4419 1 6 . 1 1 539 539 PRO CA C 539 62.754 62.754 62.975 -0.221 19214 4420 1 6 . 1 1 539 539 PRO CB C 539 34.400 34.400 32.617 1.783 19214 4421 1 6 . 1 1 540 540 MET N N 540 118.724 118.724 123.282 -4.558 19214 4422 1 6 . 1 1 540 540 MET HA H 540 4.397 4.397 4.881 -0.484 19214 4423 1 6 . 1 1 540 540 MET C C 540 173.839 173.839 173.880 -0.041 19214 4424 1 6 . 1 1 540 540 MET CA C 540 55.758 55.758 55.028 0.730 19214 4425 1 6 . 1 1 540 540 MET CB C 540 34.217 34.217 35.145 -0.929 19214 4426 1 6 . 1 1 540 540 MET H H 540 8.360 8.360 7.889 0.471 19214 4427 1 6 . 1 1 541 541 VAL N N 541 125.320 125.320 121.052 4.268 19214 4428 1 6 . 1 1 541 541 VAL HA H 541 5.100 5.100 5.269 -0.169 19214 4429 1 6 . 1 1 541 541 VAL C C 541 174.569 174.569 174.105 0.464 19214 4430 1 6 . 1 1 541 541 VAL CA C 541 60.526 60.526 59.600 0.926 19214 4431 1 6 . 1 1 541 541 VAL CB C 541 34.461 34.461 35.389 -0.928 19214 4432 1 6 . 1 1 541 541 VAL H H 541 8.383 8.383 8.060 0.323 19214 4433 1 6 . 1 1 542 542 ILE N N 542 125.677 125.677 122.502 3.175 19214 4434 1 6 . 1 1 542 542 ILE HA H 542 4.256 4.256 4.264 -0.008 19214 4435 1 6 . 1 1 542 542 ILE C C 542 175.815 175.815 175.029 0.786 19214 4436 1 6 . 1 1 542 542 ILE CA C 542 60.441 60.441 60.252 0.189 19214 4437 1 6 . 1 1 542 542 ILE CB C 542 41.219 41.219 41.396 -0.177 19214 4438 1 6 . 1 1 542 542 ILE H H 542 8.470 8.470 8.934 -0.464 19214 4439 1 6 . 1 1 543 543 ASP N N 543 130.204 130.204 128.127 2.077 19214 4440 1 6 . 1 1 543 543 ASP HA H 543 4.150 4.150 4.207 -0.057 19214 4441 1 6 . 1 1 543 543 ASP CA C 543 56.014 56.014 55.413 0.602 19214 4442 1 6 . 1 1 543 543 ASP CB C 543 39.515 39.515 39.893 -0.378 19214 4443 1 6 . 1 1 543 543 ASP H H 543 9.650 9.650 8.885 0.765 19214 4444 1 6 . 1 1 544 544 ASP HA H 544 4.180 4.180 4.187 -0.007 19214 4445 1 6 . 1 1 544 544 ASP C C 544 174.473 174.473 174.529 -0.056 19214 4446 1 6 . 1 1 544 544 ASP CA C 544 55.500 55.500 55.582 -0.082 19214 4447 1 6 . 1 1 544 544 ASP CB C 544 40.941 40.941 40.352 0.589 19214 4448 1 6 . 1 1 545 545 GLN N N 545 117.251 117.251 116.155 1.096 19214 4449 1 6 . 1 1 545 545 GLN CA C 545 53.533 53.533 54.495 -0.962 19214 4450 1 6 . 1 1 545 545 GLN H H 545 7.868 7.868 7.667 0.201 19214 4451 1 6 . 1 1 546 546 LEU C C 546 174.500 174.500 175.743 -1.243 19214 4452 1 6 . 1 1 547 547 PHE N N 547 130.200 130.200 128.411 1.789 19214 4453 1 6 . 1 1 547 547 PHE HA H 547 4.650 4.650 4.742 -0.092 19214 4454 1 6 . 1 1 547 547 PHE C C 547 176.033 176.033 174.651 1.382 19214 4455 1 6 . 1 1 547 547 PHE CA C 547 59.700 59.700 58.360 1.340 19214 4456 1 6 . 1 1 547 547 PHE CB C 547 40.800 40.800 42.213 -1.413 19214 4457 1 6 . 1 1 547 547 PHE H H 547 9.120 9.120 8.291 0.829 19214 4458 1 6 . 1 1 548 548 GLY N N 548 102.705 102.705 104.617 -1.912 19214 4459 1 6 . 1 1 548 548 GLY C C 548 169.494 169.494 171.432 -1.938 19214 4460 1 6 . 1 1 548 548 GLY CA C 548 46.008 46.008 45.508 0.500 19214 4461 1 6 . 1 1 548 548 GLY H H 548 7.939 7.939 7.587 0.352 19214 4462 1 6 . 1 1 549 549 LEU N N 549 118.437 118.437 118.194 0.243 19214 4463 1 6 . 1 1 549 549 LEU HA H 549 4.870 4.870 4.818 0.052 19214 4464 1 6 . 1 1 549 549 LEU C C 549 173.746 173.746 175.162 -1.416 19214 4465 1 6 . 1 1 549 549 LEU CA C 549 53.108 53.108 54.785 -1.677 19214 4466 1 6 . 1 1 549 549 LEU CB C 549 44.752 44.752 46.859 -2.107 19214 4467 1 6 . 1 1 549 549 LEU H H 549 9.279 9.279 7.715 1.564 19214 4468 1 6 . 1 1 550 550 LEU N N 550 127.359 127.359 122.875 4.484 19214 4469 1 6 . 1 1 550 550 LEU HA H 550 4.881 4.881 4.668 0.213 19214 4470 1 6 . 1 1 550 550 LEU C C 550 174.669 174.669 176.144 -1.475 19214 4471 1 6 . 1 1 550 550 LEU CA C 550 54.216 54.216 54.722 -0.506 19214 4472 1 6 . 1 1 550 550 LEU CB C 550 42.954 42.954 42.457 0.497 19214 4473 1 6 . 1 1 550 550 LEU H H 550 9.068 9.068 8.057 1.011 19214 4474 1 6 . 1 1 551 551 ILE N N 551 126.177 126.177 122.684 3.493 19214 4475 1 6 . 1 1 551 551 ILE HA H 551 5.234 5.234 5.153 0.081 19214 4476 1 6 . 1 1 551 551 ILE C C 551 173.709 173.709 174.405 -0.696 19214 4477 1 6 . 1 1 551 551 ILE CA C 551 59.720 59.720 59.317 0.403 19214 4478 1 6 . 1 1 551 551 ILE CB C 551 42.210 42.210 40.977 1.233 19214 4479 1 6 . 1 1 551 551 ILE H H 551 8.584 8.584 8.031 0.552 19214 4480 1 6 . 1 1 552 552 ALA N N 552 129.345 129.345 128.272 1.073 19214 4481 1 6 . 1 1 552 552 ALA HA H 552 5.194 5.194 4.680 0.514 19214 4482 1 6 . 1 1 552 552 ALA C C 552 175.549 175.549 175.440 0.109 19214 4483 1 6 . 1 1 552 552 ALA CA C 552 49.380 49.380 50.397 -1.017 19214 4484 1 6 . 1 1 552 552 ALA CB C 552 23.712 23.712 20.969 2.743 19214 4485 1 6 . 1 1 552 552 ALA H H 552 9.709 9.709 8.040 1.669 19214 4486 1 6 . 1 1 553 553 HIS N N 553 115.303 115.303 122.452 -7.149 19214 4487 1 6 . 1 1 553 553 HIS HA H 553 6.162 6.162 5.184 0.978 19214 4488 1 6 . 1 1 553 553 HIS C C 553 177.121 177.121 174.602 2.519 19214 4489 1 6 . 1 1 553 553 HIS CA C 553 51.965 51.965 54.584 -2.619 19214 4490 1 6 . 1 1 553 553 HIS CB C 553 36.593 36.593 31.811 4.782 19214 4491 1 6 . 1 1 553 553 HIS H H 553 9.151 9.151 8.128 1.023 19214 4492 1 6 . 1 1 554 554 GLN N N 554 124.107 124.107 124.462 -0.355 19214 4493 1 6 . 1 1 554 554 GLN HA H 554 4.540 4.540 4.362 0.178 19214 4494 1 6 . 1 1 554 554 GLN C C 554 174.320 174.320 175.326 -1.006 19214 4495 1 6 . 1 1 554 554 GLN CA C 554 55.976 55.976 54.895 1.081 19214 4496 1 6 . 1 1 554 554 GLN CB C 554 30.828 30.828 29.216 1.612 19214 4497 1 6 . 1 1 554 554 GLN H H 554 8.647 8.647 8.946 -0.299 19214 4498 1 6 . 1 1 555 555 ALA N N 555 136.582 136.582 130.917 5.665 19214 4499 1 6 . 1 1 555 555 ALA HA H 555 4.617 4.617 4.442 0.175 19214 4500 1 6 . 1 1 555 555 ALA C C 555 177.422 177.422 177.665 -0.243 19214 4501 1 6 . 1 1 555 555 ALA CA C 555 52.406 52.406 52.777 -0.371 19214 4502 1 6 . 1 1 555 555 ALA CB C 555 19.553 19.553 17.860 1.693 19214 4503 1 6 . 1 1 555 555 ALA H H 555 11.550 11.550 8.617 2.933 19214 4504 1 6 . 1 1 556 556 SER N N 556 111.945 111.945 113.168 -1.223 19214 4505 1 6 . 1 1 556 556 SER HA H 556 4.044 4.044 4.539 -0.495 19214 4506 1 6 . 1 1 556 556 SER C C 556 174.912 174.912 173.558 1.354 19214 4507 1 6 . 1 1 556 556 SER CA C 556 61.145 61.145 59.804 1.341 19214 4508 1 6 . 1 1 556 556 SER CB C 556 62.905 62.905 63.854 -0.949 19214 4509 1 6 . 1 1 556 556 SER H H 556 8.083 8.083 7.969 0.114 19214 4510 1 6 . 1 1 557 557 GLU N N 557 117.238 117.238 116.473 0.765 19214 4511 1 6 . 1 1 557 557 GLU CA C 557 53.900 53.900 54.675 -0.775 19214 4512 1 6 . 1 1 557 557 GLU CB C 557 30.171 30.171 29.347 0.824 19214 4513 1 6 . 1 1 557 557 GLU H H 557 7.318 7.318 7.592 -0.274 19214 4514 1 6 . 1 1 558 558 PRO HA H 558 4.194 4.194 4.434 -0.240 19214 4515 1 6 . 1 1 558 558 PRO C C 558 174.855 174.855 175.790 -0.935 19214 4516 1 6 . 1 1 558 558 PRO CA C 558 62.915 62.915 63.034 -0.119 19214 4517 1 6 . 1 1 558 558 PRO CB C 558 32.862 32.862 32.253 0.609 19214 4518 1 6 . 1 1 559 559 ARG N N 559 121.957 121.957 122.274 -0.317 19214 4519 1 6 . 1 1 559 559 ARG HA H 559 3.945 3.945 4.352 -0.407 19214 4520 1 6 . 1 1 559 559 ARG C C 559 171.134 171.134 174.640 -3.506 19214 4521 1 6 . 1 1 559 559 ARG CA C 559 55.538 55.538 54.077 1.461 19214 4522 1 6 . 1 1 559 559 ARG CB C 559 33.169 33.169 31.535 1.634 19214 4523 1 6 . 1 1 559 559 ARG H H 559 7.836 7.836 7.976 -0.140 19214 4524 1 6 . 1 1 560 560 GLN N N 560 126.067 126.067 122.831 3.236 19214 4525 1 6 . 1 1 560 560 GLN HA H 560 4.372 4.372 3.650 0.722 19214 4526 1 6 . 1 1 560 560 GLN C C 560 175.848 175.848 175.059 0.789 19214 4527 1 6 . 1 1 560 560 GLN CA C 560 53.622 53.622 54.591 -0.969 19214 4528 1 6 . 1 1 560 560 GLN CB C 560 27.811 27.811 28.603 -0.792 19214 4529 1 6 . 1 1 560 560 GLN H H 560 8.332 8.332 8.240 0.092 19214 4530 1 6 . 1 1 561 561 TRP N N 561 133.373 133.373 126.640 6.733 19214 4531 1 6 . 1 1 561 561 TRP HA H 561 4.522 4.522 4.495 0.027 19214 4532 1 6 . 1 1 561 561 TRP C C 561 176.141 176.141 176.484 -0.343 19214 4533 1 6 . 1 1 561 561 TRP CA C 561 56.337 56.337 56.846 -0.508 19214 4534 1 6 . 1 1 561 561 TRP CB C 561 28.840 28.840 29.609 -0.769 19214 4535 1 6 . 1 1 561 561 TRP H H 561 7.982 7.982 7.287 0.695 19214 4536 1 6 . 1 1 562 562 GLN N N 562 124.678 124.678 121.277 3.401 19214 4537 1 6 . 1 1 562 562 GLN HA H 562 4.454 4.454 4.545 -0.091 19214 4538 1 6 . 1 1 562 562 GLN C C 562 177.088 177.088 177.005 0.083 19214 4539 1 6 . 1 1 562 562 GLN CA C 562 54.676 54.676 54.522 0.154 19214 4540 1 6 . 1 1 562 562 GLN CB C 562 30.526 30.526 30.805 -0.279 19214 4541 1 6 . 1 1 562 562 GLN H H 562 9.763 9.763 8.436 1.327 19214 4542 1 6 . 1 1 563 563 GLU N N 563 124.545 124.545 126.777 -2.232 19214 4543 1 6 . 1 1 563 563 GLU HA H 563 3.907 3.907 4.019 -0.112 19214 4544 1 6 . 1 1 563 563 GLU C C 563 178.742 178.742 177.764 0.978 19214 4545 1 6 . 1 1 563 563 GLU CA C 563 61.275 61.275 60.624 0.651 19214 4546 1 6 . 1 1 563 563 GLU CB C 563 29.149 29.149 29.608 -0.459 19214 4547 1 6 . 1 1 563 563 GLU H H 563 9.210 9.210 9.085 0.125 19214 4548 1 6 . 1 1 564 564 ILE N N 564 115.275 115.275 118.333 -3.058 19214 4549 1 6 . 1 1 564 564 ILE HA H 564 4.208 4.208 3.997 0.211 19214 4550 1 6 . 1 1 564 564 ILE C C 564 177.462 177.462 178.197 -0.735 19214 4551 1 6 . 1 1 564 564 ILE CA C 564 63.380 63.380 63.482 -0.102 19214 4552 1 6 . 1 1 564 564 ILE CB C 564 37.828 37.828 36.545 1.283 19214 4553 1 6 . 1 1 564 564 ILE H H 564 8.496 8.496 8.194 0.302 19214 4554 1 6 . 1 1 565 565 GLU N N 565 121.174 121.174 121.362 -0.188 19214 4555 1 6 . 1 1 565 565 GLU HA H 565 4.009 4.009 4.176 -0.167 19214 4556 1 6 . 1 1 565 565 GLU C C 565 178.217 178.217 179.867 -1.650 19214 4557 1 6 . 1 1 565 565 GLU CA C 565 58.713 58.713 59.836 -1.123 19214 4558 1 6 . 1 1 565 565 GLU CB C 565 29.685 29.685 29.651 0.034 19214 4559 1 6 . 1 1 565 565 GLU H H 565 6.668 6.668 8.305 -1.637 19214 4560 1 6 . 1 1 566 566 ILE N N 566 119.747 119.747 121.004 -1.257 19214 4561 1 6 . 1 1 566 566 ILE HA H 566 3.387 3.387 3.721 -0.334 19214 4562 1 6 . 1 1 566 566 ILE C C 566 178.911 178.911 177.947 0.964 19214 4563 1 6 . 1 1 566 566 ILE CA C 566 66.484 66.484 65.800 0.684 19214 4564 1 6 . 1 1 566 566 ILE CB C 566 38.410 38.410 37.892 0.518 19214 4565 1 6 . 1 1 566 566 ILE H H 566 8.165 8.165 8.868 -0.703 19214 4566 1 6 . 1 1 567 567 ASP N N 567 120.827 120.827 120.265 0.562 19214 4567 1 6 . 1 1 567 567 ASP HA H 567 4.373 4.373 4.382 -0.009 19214 4568 1 6 . 1 1 567 567 ASP C C 567 179.462 179.462 179.217 0.245 19214 4569 1 6 . 1 1 567 567 ASP CA C 567 57.949 57.949 57.695 0.254 19214 4570 1 6 . 1 1 567 567 ASP CB C 567 40.516 40.516 40.104 0.412 19214 4571 1 6 . 1 1 567 567 ASP H H 567 8.574 8.574 7.935 0.639 19214 4572 1 6 . 1 1 568 568 GLN N N 568 118.625 118.625 119.423 -0.798 19214 4573 1 6 . 1 1 568 568 GLN HA H 568 4.140 4.140 4.097 0.043 19214 4574 1 6 . 1 1 568 568 GLN C C 568 179.204 179.204 178.622 0.582 19214 4575 1 6 . 1 1 568 568 GLN CA C 568 59.294 59.294 58.678 0.616 19214 4576 1 6 . 1 1 568 568 GLN CB C 568 29.558 29.558 28.944 0.615 19214 4577 1 6 . 1 1 568 568 GLN H H 568 8.321 8.321 8.146 0.175 19214 4578 1 6 . 1 1 569 569 PHE N N 569 124.764 124.764 120.849 3.915 19214 4579 1 6 . 1 1 569 569 PHE HA H 569 4.310 4.310 4.204 0.106 19214 4580 1 6 . 1 1 569 569 PHE C C 569 177.387 177.387 177.470 -0.083 19214 4581 1 6 . 1 1 569 569 PHE CA C 569 61.106 61.106 60.484 0.622 19214 4582 1 6 . 1 1 569 569 PHE CB C 569 40.452 40.452 39.133 1.319 19214 4583 1 6 . 1 1 569 569 PHE H H 569 8.999 8.999 8.386 0.613 19214 4584 1 6 . 1 1 570 570 SER N N 570 113.882 113.882 114.452 -0.570 19214 4585 1 6 . 1 1 570 570 SER HA H 570 4.145 4.145 3.957 0.188 19214 4586 1 6 . 1 1 570 570 SER C C 570 177.181 177.181 176.735 0.446 19214 4587 1 6 . 1 1 570 570 SER CA C 570 61.933 61.933 61.872 0.061 19214 4588 1 6 . 1 1 570 570 SER CB C 570 63.049 63.049 62.892 0.157 19214 4589 1 6 . 1 1 570 570 SER H H 570 8.979 8.979 8.513 0.466 19214 4590 1 6 . 1 1 571 571 GLU N N 571 123.710 123.710 121.221 2.489 19214 4591 1 6 . 1 1 571 571 GLU HA H 571 4.146 4.146 3.964 0.182 19214 4592 1 6 . 1 1 571 571 GLU C C 571 179.006 179.006 179.284 -0.278 19214 4593 1 6 . 1 1 571 571 GLU CA C 571 59.437 59.437 59.178 0.259 19214 4594 1 6 . 1 1 571 571 GLU CB C 571 29.269 29.269 29.316 -0.047 19214 4595 1 6 . 1 1 571 571 GLU H H 571 8.282 8.282 7.884 0.398 19214 4596 1 6 . 1 1 572 572 LEU N N 572 123.115 123.115 121.038 2.077 19214 4597 1 6 . 1 1 572 572 LEU HA H 572 4.030 4.030 3.964 0.066 19214 4598 1 6 . 1 1 572 572 LEU C C 572 178.204 178.204 178.132 0.072 19214 4599 1 6 . 1 1 572 572 LEU CA C 572 58.186 58.186 57.940 0.246 19214 4600 1 6 . 1 1 572 572 LEU CB C 572 41.303 41.303 41.585 -0.282 19214 4601 1 6 . 1 1 572 572 LEU H H 572 7.722 7.722 7.545 0.177 19214 4602 1 6 . 1 1 573 573 ALA N N 573 120.384 120.384 120.325 0.059 19214 4603 1 6 . 1 1 573 573 ALA HA H 573 3.703 3.703 3.877 -0.174 19214 4604 1 6 . 1 1 573 573 ALA C C 573 180.276 180.276 179.840 0.436 19214 4605 1 6 . 1 1 573 573 ALA CA C 573 55.577 55.577 54.690 0.887 19214 4606 1 6 . 1 1 573 573 ALA CB C 573 19.090 19.090 17.958 1.132 19214 4607 1 6 . 1 1 573 573 ALA H H 573 7.701 7.701 7.277 0.424 19214 4608 1 6 . 1 1 574 574 SER N N 574 116.150 116.150 113.415 2.735 19214 4609 1 6 . 1 1 574 574 SER HA H 574 4.373 4.373 4.159 0.214 19214 4610 1 6 . 1 1 574 574 SER C C 574 177.259 177.259 176.367 0.892 19214 4611 1 6 . 1 1 574 574 SER CA C 574 61.851 61.851 61.017 0.834 19214 4612 1 6 . 1 1 574 574 SER CB C 574 62.460 62.460 63.069 -0.609 19214 4613 1 6 . 1 1 574 574 SER H H 574 8.679 8.679 8.280 0.399 19214 4614 1 6 . 1 1 575 575 THR N N 575 120.316 120.316 119.147 1.169 19214 4615 1 6 . 1 1 575 575 THR HA H 575 3.985 3.985 3.883 0.102 19214 4616 1 6 . 1 1 575 575 THR C C 575 177.023 177.023 176.574 0.449 19214 4617 1 6 . 1 1 575 575 THR CA C 575 66.859 66.859 67.362 -0.503 19214 4618 1 6 . 1 1 575 575 THR CB C 575 68.370 68.370 68.335 0.035 19214 4619 1 6 . 1 1 575 575 THR H H 575 8.685 8.685 8.091 0.594 19214 4620 1 6 . 1 1 576 576 GLY N N 576 107.996 107.996 108.186 -0.190 19214 4621 1 6 . 1 1 576 576 GLY C C 576 174.096 174.096 175.625 -1.529 19214 4622 1 6 . 1 1 576 576 GLY CA C 576 47.730 47.730 47.137 0.593 19214 4623 1 6 . 1 1 576 576 GLY H H 576 8.565 8.565 7.655 0.910 19214 4624 1 6 . 1 1 577 577 SER N N 577 118.026 118.026 117.933 0.093 19214 4625 1 6 . 1 1 577 577 SER HA H 577 3.840 3.840 3.969 -0.129 19214 4626 1 6 . 1 1 577 577 SER CA C 577 63.146 63.146 62.124 1.022 19214 4627 1 6 . 1 1 577 577 SER H H 577 8.425 8.425 7.425 1.000 19214 4628 1 6 . 1 1 578 578 LEU HA H 578 3.700 3.700 3.939 -0.239 19214 4629 1 6 . 1 1 578 578 LEU C C 578 179.316 179.316 179.027 0.289 19214 4630 1 6 . 1 1 578 578 LEU CA C 578 57.995 57.995 57.470 0.525 19214 4631 1 6 . 1 1 578 578 LEU CB C 578 41.739 41.739 41.476 0.263 19214 4632 1 6 . 1 1 579 579 VAL N N 579 122.330 122.330 118.548 3.782 19214 4633 1 6 . 1 1 579 579 VAL CB C 579 31.123 31.123 31.303 -0.180 19214 4634 1 6 . 1 1 579 579 VAL H H 579 8.773 8.773 7.189 1.584 19214 4635 1 6 . 1 1 584 584 HIS HA H 584 4.332 4.332 4.277 0.055 19214 4636 1 6 . 1 1 584 584 HIS C C 584 177.320 177.320 177.560 -0.240 19214 4637 1 6 . 1 1 584 584 HIS CA C 584 59.034 59.034 59.946 -0.911 19214 4638 1 6 . 1 1 584 584 HIS CB C 584 29.981 29.981 29.677 0.304 19214 4639 1 6 . 1 1 585 585 PHE N N 585 118.557 118.557 117.505 1.052 19214 4640 1 6 . 1 1 585 585 PHE HA H 585 4.316 4.316 4.164 0.152 19214 4641 1 6 . 1 1 585 585 PHE C C 585 178.195 178.195 177.600 0.595 19214 4642 1 6 . 1 1 585 585 PHE CA C 585 60.326 60.326 61.331 -1.005 19214 4643 1 6 . 1 1 585 585 PHE CB C 585 38.773 38.773 38.529 0.244 19214 4644 1 6 . 1 1 585 585 PHE H H 585 8.065 8.065 7.956 0.109 19214 4645 1 6 . 1 1 586 586 LEU N N 586 121.964 121.964 121.820 0.144 19214 4646 1 6 . 1 1 586 586 LEU HA H 586 4.060 4.060 3.935 0.125 19214 4647 1 6 . 1 1 586 586 LEU C C 586 178.863 178.863 178.448 0.415 19214 4648 1 6 . 1 1 586 586 LEU CA C 586 57.423 57.423 58.138 -0.715 19214 4649 1 6 . 1 1 586 586 LEU CB C 586 42.042 42.042 41.502 0.540 19214 4650 1 6 . 1 1 586 586 LEU H H 586 8.153 8.153 8.412 -0.259 19214 4651 1 6 . 1 1 587 587 GLU N N 587 119.163 119.163 116.684 2.479 19214 4652 1 6 . 1 1 587 587 GLU HA H 587 4.016 4.016 3.795 0.221 19214 4653 1 6 . 1 1 587 587 GLU C C 587 178.330 178.330 178.946 -0.616 19214 4654 1 6 . 1 1 587 587 GLU CA C 587 58.475 58.475 59.317 -0.842 19214 4655 1 6 . 1 1 587 587 GLU CB C 587 29.825 29.825 29.050 0.775 19214 4656 1 6 . 1 1 587 587 GLU H H 587 8.234 8.234 8.059 0.175 19214 4657 1 6 . 1 1 588 588 GLN N N 588 118.390 118.390 118.823 -0.433 19214 4658 1 6 . 1 1 588 588 GLN HA H 588 4.136 4.136 4.001 0.135 19214 4659 1 6 . 1 1 588 588 GLN C C 588 177.452 177.452 178.275 -0.823 19214 4660 1 6 . 1 1 588 588 GLN CA C 588 57.188 57.188 58.454 -1.266 19214 4661 1 6 . 1 1 588 588 GLN CB C 588 28.932 28.932 28.163 0.769 19214 4662 1 6 . 1 1 588 588 GLN H H 588 8.003 8.003 7.500 0.503 19214 4663 1 6 . 1 1 589 589 THR N N 589 115.070 115.070 116.709 -1.639 19214 4664 1 6 . 1 1 589 589 THR HA H 589 4.136 4.136 3.981 0.155 19214 4665 1 6 . 1 1 589 589 THR C C 589 175.620 175.620 177.066 -1.446 19214 4666 1 6 . 1 1 589 589 THR CA C 589 63.840 63.840 66.123 -2.283 19214 4667 1 6 . 1 1 589 589 THR CB C 589 69.380 69.380 68.598 0.782 19214 4668 1 6 . 1 1 589 589 THR H H 589 7.957 7.957 7.703 0.254 19214 4669 1 6 . 1 1 590 590 ILE N N 590 122.655 122.655 121.131 1.524 19214 4670 1 6 . 1 1 590 590 ILE HA H 590 3.926 3.926 3.710 0.216 19214 4671 1 6 . 1 1 590 590 ILE C C 590 176.914 176.914 177.497 -0.583 19214 4672 1 6 . 1 1 590 590 ILE CA C 590 62.663 62.663 64.831 -2.168 19214 4673 1 6 . 1 1 590 590 ILE CB C 590 38.222 38.222 37.524 0.698 19214 4674 1 6 . 1 1 590 590 ILE H H 590 7.985 7.985 7.633 0.352 19214 4675 1 6 . 1 1 591 591 ALA N N 591 125.105 125.105 121.560 3.545 19214 4676 1 6 . 1 1 591 591 ALA HA H 591 4.181 4.181 4.143 0.038 19214 4677 1 6 . 1 1 591 591 ALA C C 591 178.466 178.466 178.836 -0.370 19214 4678 1 6 . 1 1 591 591 ALA CA C 591 53.502 53.502 54.503 -1.001 19214 4679 1 6 . 1 1 591 591 ALA CB C 591 18.788 18.788 17.956 0.832 19214 4680 1 6 . 1 1 591 591 ALA H H 591 8.086 8.086 7.822 0.264 19214 4681 1 6 . 1 1 592 592 SER N N 592 113.591 113.591 113.098 0.493 19214 4682 1 6 . 1 1 592 592 SER HA H 592 4.298 4.298 4.291 0.007 19214 4683 1 6 . 1 1 592 592 SER C C 592 174.886 174.886 174.262 0.624 19214 4684 1 6 . 1 1 592 592 SER CA C 592 58.939 58.939 59.560 -0.621 19214 4685 1 6 . 1 1 592 592 SER CB C 592 63.738 63.738 63.541 0.197 19214 4686 1 6 . 1 1 592 592 SER H H 592 7.957 7.957 7.597 0.360 19214 4687 1 7 . 1 1 431 431 ALA HA H 431 4.315 4.315 4.307 0.008 19214 4688 1 7 . 1 1 431 431 ALA C C 431 177.643 177.643 177.364 0.279 19214 4689 1 7 . 1 1 431 431 ALA CA C 431 52.380 52.380 51.776 0.604 19214 4690 1 7 . 1 1 431 431 ALA CB C 431 19.190 19.190 19.367 -0.177 19214 4691 1 7 . 1 1 432 432 VAL N N 432 120.312 120.312 124.986 -4.674 19214 4692 1 7 . 1 1 432 432 VAL HA H 432 4.019 4.019 4.058 -0.039 19214 4693 1 7 . 1 1 432 432 VAL C C 432 175.763 175.763 177.348 -1.585 19214 4694 1 7 . 1 1 432 432 VAL CA C 432 62.234 62.234 64.309 -2.075 19214 4695 1 7 . 1 1 432 432 VAL CB C 432 33.009 33.009 32.700 0.309 19214 4696 1 7 . 1 1 432 432 VAL H H 432 8.178 8.178 8.639 -0.461 19214 4697 1 7 . 1 1 433 433 GLN N N 433 124.379 124.379 119.645 4.734 19214 4698 1 7 . 1 1 433 433 GLN CB C 433 29.519 29.519 28.137 1.383 19214 4699 1 7 . 1 1 433 433 GLN H H 433 8.502 8.502 8.506 -0.004 19214 4700 1 7 . 1 1 435 435 SER HA H 435 4.069 4.069 4.276 -0.207 19214 4701 1 7 . 1 1 435 435 SER C C 435 178.994 178.994 175.765 3.229 19214 4702 1 7 . 1 1 435 435 SER CA C 435 60.511 60.511 60.856 -0.345 19214 4703 1 7 . 1 1 435 435 SER CB C 435 62.860 62.860 62.986 -0.126 19214 4704 1 7 . 1 1 436 436 GLU N N 436 119.753 119.753 119.364 0.389 19214 4705 1 7 . 1 1 436 436 GLU HA H 436 4.293 4.293 4.216 0.077 19214 4706 1 7 . 1 1 436 436 GLU C C 436 176.644 176.644 175.613 1.031 19214 4707 1 7 . 1 1 436 436 GLU CA C 436 56.016 56.016 56.253 -0.237 19214 4708 1 7 . 1 1 436 436 GLU CB C 436 30.335 30.335 29.589 0.746 19214 4709 1 7 . 1 1 436 436 GLU H H 436 7.805 7.805 7.743 0.062 19214 4710 1 7 . 1 1 437 437 LEU N N 437 120.618 120.618 122.015 -1.397 19214 4711 1 7 . 1 1 437 437 LEU HA H 437 4.150 4.150 4.218 -0.068 19214 4712 1 7 . 1 1 437 437 LEU CA C 437 55.497 55.497 55.289 0.208 19214 4713 1 7 . 1 1 437 437 LEU CB C 437 43.460 43.460 42.025 1.435 19214 4714 1 7 . 1 1 437 437 LEU H H 437 7.352 7.352 7.266 0.086 19214 4715 1 7 . 1 1 440 440 ARG HA H 440 3.240 3.240 3.984 -0.744 19214 4716 1 7 . 1 1 440 440 ARG C C 440 175.895 175.895 177.854 -1.959 19214 4717 1 7 . 1 1 440 440 ARG CA C 440 60.040 60.040 59.689 0.351 19214 4718 1 7 . 1 1 440 440 ARG CB C 440 30.218 30.218 30.528 -0.310 19214 4719 1 7 . 1 1 441 441 GLN N N 441 117.761 117.761 117.640 0.121 19214 4720 1 7 . 1 1 441 441 GLN HA H 441 3.894 3.894 4.295 -0.401 19214 4721 1 7 . 1 1 441 441 GLN C C 441 177.959 177.959 178.099 -0.140 19214 4722 1 7 . 1 1 441 441 GLN CA C 441 58.904 58.904 58.970 -0.066 19214 4723 1 7 . 1 1 441 441 GLN CB C 441 27.387 27.387 28.137 -0.750 19214 4724 1 7 . 1 1 441 441 GLN H H 441 8.075 8.075 8.091 -0.016 19214 4725 1 7 . 1 1 442 442 ALA N N 442 120.325 120.325 123.662 -3.337 19214 4726 1 7 . 1 1 442 442 ALA HA H 442 4.142 4.142 4.114 0.028 19214 4727 1 7 . 1 1 442 442 ALA C C 442 181.535 181.535 179.847 1.688 19214 4728 1 7 . 1 1 442 442 ALA CA C 442 54.843 54.843 55.217 -0.374 19214 4729 1 7 . 1 1 442 442 ALA CB C 442 18.746 18.746 18.198 0.548 19214 4730 1 7 . 1 1 442 442 ALA H H 442 7.859 7.859 7.454 0.405 19214 4731 1 7 . 1 1 443 443 ILE N N 443 120.878 120.878 114.624 6.254 19214 4732 1 7 . 1 1 443 443 ILE HA H 443 3.412 3.412 3.658 -0.246 19214 4733 1 7 . 1 1 443 443 ILE C C 443 177.554 177.554 177.535 0.019 19214 4734 1 7 . 1 1 443 443 ILE CA C 443 65.839 65.839 64.460 1.379 19214 4735 1 7 . 1 1 443 443 ILE CB C 443 37.236 37.236 37.209 0.027 19214 4736 1 7 . 1 1 443 443 ILE H H 443 7.668 7.668 7.492 0.176 19214 4737 1 7 . 1 1 444 444 PHE N N 444 119.157 119.157 120.952 -1.795 19214 4738 1 7 . 1 1 444 444 PHE HA H 444 4.364 4.364 4.290 0.074 19214 4739 1 7 . 1 1 444 444 PHE C C 444 178.054 178.054 177.691 0.363 19214 4740 1 7 . 1 1 444 444 PHE CA C 444 58.952 58.952 61.266 -2.314 19214 4741 1 7 . 1 1 444 444 PHE CB C 444 37.948 37.948 38.953 -1.005 19214 4742 1 7 . 1 1 444 444 PHE H H 444 8.128 8.128 7.440 0.688 19214 4743 1 7 . 1 1 445 445 GLU N N 445 116.382 116.382 119.135 -2.753 19214 4744 1 7 . 1 1 445 445 GLU HA H 445 3.985 3.985 4.048 -0.063 19214 4745 1 7 . 1 1 445 445 GLU C C 445 179.563 179.563 179.459 0.104 19214 4746 1 7 . 1 1 445 445 GLU CA C 445 59.156 59.156 59.499 -0.343 19214 4747 1 7 . 1 1 445 445 GLU CB C 445 29.177 29.177 29.479 -0.301 19214 4748 1 7 . 1 1 445 445 GLU H H 445 8.711 8.711 9.115 -0.404 19214 4749 1 7 . 1 1 446 446 THR N N 446 118.118 118.118 116.925 1.193 19214 4750 1 7 . 1 1 446 446 THR HA H 446 4.066 4.066 4.071 -0.005 19214 4751 1 7 . 1 1 446 446 THR C C 446 175.861 175.861 176.362 -0.501 19214 4752 1 7 . 1 1 446 446 THR CA C 446 67.041 67.041 66.517 0.524 19214 4753 1 7 . 1 1 446 446 THR CB C 446 68.218 68.218 68.829 -0.611 19214 4754 1 7 . 1 1 446 446 THR H H 446 8.105 8.105 7.801 0.304 19214 4755 1 7 . 1 1 447 447 LEU N N 447 121.874 121.874 121.871 0.003 19214 4756 1 7 . 1 1 447 447 LEU HA H 447 3.852 3.852 3.857 -0.005 19214 4757 1 7 . 1 1 447 447 LEU C C 447 179.512 179.512 178.787 0.725 19214 4758 1 7 . 1 1 447 447 LEU CA C 447 58.956 58.956 58.019 0.937 19214 4759 1 7 . 1 1 447 447 LEU CB C 447 42.493 42.493 41.281 1.212 19214 4760 1 7 . 1 1 447 447 LEU H H 447 8.552 8.552 7.411 1.141 19214 4761 1 7 . 1 1 448 448 VAL N N 448 108.313 108.313 118.357 -10.044 19214 4762 1 7 . 1 1 448 448 VAL HA H 448 4.039 4.039 3.706 0.333 19214 4763 1 7 . 1 1 448 448 VAL C C 448 177.323 177.323 176.719 0.604 19214 4764 1 7 . 1 1 448 448 VAL CA C 448 64.562 64.562 66.016 -1.454 19214 4765 1 7 . 1 1 448 448 VAL CB C 448 30.055 30.055 31.684 -1.629 19214 4766 1 7 . 1 1 448 448 VAL H H 448 7.695 7.695 7.584 0.111 19214 4767 1 7 . 1 1 449 449 ALA N N 449 124.683 124.683 121.677 3.006 19214 4768 1 7 . 1 1 449 449 ALA HA H 449 4.246 4.246 4.013 0.233 19214 4769 1 7 . 1 1 449 449 ALA C C 449 181.275 181.275 179.949 1.326 19214 4770 1 7 . 1 1 449 449 ALA CA C 449 55.054 55.054 55.385 -0.331 19214 4771 1 7 . 1 1 449 449 ALA CB C 449 18.528 18.528 18.087 0.441 19214 4772 1 7 . 1 1 449 449 ALA H H 449 7.421 7.421 7.513 -0.092 19214 4773 1 7 . 1 1 450 450 LYS N N 450 118.092 118.092 118.882 -0.790 19214 4774 1 7 . 1 1 450 450 LYS HA H 450 4.170 4.170 4.169 0.001 19214 4775 1 7 . 1 1 450 450 LYS C C 450 180.083 180.083 179.524 0.559 19214 4776 1 7 . 1 1 450 450 LYS CA C 450 58.219 58.219 59.141 -0.922 19214 4777 1 7 . 1 1 450 450 LYS CB C 450 31.697 31.697 32.628 -0.931 19214 4778 1 7 . 1 1 450 450 LYS H H 450 8.806 8.806 8.114 0.692 19214 4779 1 7 . 1 1 451 451 GLY N N 451 108.217 108.217 108.246 -0.029 19214 4780 1 7 . 1 1 451 451 GLY C C 451 173.724 173.724 175.885 -2.161 19214 4781 1 7 . 1 1 451 451 GLY CA C 451 47.965 47.965 47.482 0.483 19214 4782 1 7 . 1 1 451 451 GLY H H 451 8.816 8.816 8.842 -0.026 19214 4783 1 7 . 1 1 452 452 ARG N N 452 122.310 122.310 121.917 0.393 19214 4784 1 7 . 1 1 452 452 ARG HA H 452 4.100 4.100 3.964 0.136 19214 4785 1 7 . 1 1 452 452 ARG C C 452 178.908 178.908 177.646 1.262 19214 4786 1 7 . 1 1 452 452 ARG CA C 452 60.504 60.504 59.625 0.879 19214 4787 1 7 . 1 1 452 452 ARG CB C 452 30.208 30.208 30.204 0.004 19214 4788 1 7 . 1 1 452 452 ARG H H 452 8.190 8.190 8.246 -0.056 19214 4789 1 7 . 1 1 453 453 GLU N N 453 119.749 119.749 118.245 1.504 19214 4790 1 7 . 1 1 453 453 GLU HA H 453 4.076 4.076 4.160 -0.084 19214 4791 1 7 . 1 1 453 453 GLU C C 453 178.638 178.638 178.816 -0.178 19214 4792 1 7 . 1 1 453 453 GLU CA C 453 58.999 58.999 58.852 0.147 19214 4793 1 7 . 1 1 453 453 GLU CB C 453 30.188 30.188 29.748 0.440 19214 4794 1 7 . 1 1 453 453 GLU H H 453 7.872 7.872 7.488 0.384 19214 4795 1 7 . 1 1 454 454 LEU N N 454 119.235 119.235 118.847 0.388 19214 4796 1 7 . 1 1 454 454 LEU HA H 454 4.157 4.157 4.109 0.048 19214 4797 1 7 . 1 1 454 454 LEU C C 454 178.446 178.446 178.796 -0.350 19214 4798 1 7 . 1 1 454 454 LEU CA C 454 57.868 57.868 57.833 0.035 19214 4799 1 7 . 1 1 454 454 LEU CB C 454 43.001 43.001 42.521 0.480 19214 4800 1 7 . 1 1 454 454 LEU H H 454 8.275 8.275 8.392 -0.117 19214 4801 1 7 . 1 1 455 455 LEU N N 455 112.983 112.983 115.106 -2.123 19214 4802 1 7 . 1 1 455 455 LEU HA H 455 4.406 4.406 4.358 0.048 19214 4803 1 7 . 1 1 455 455 LEU C C 455 177.047 177.047 176.839 0.208 19214 4804 1 7 . 1 1 455 455 LEU CA C 455 54.730 54.730 55.595 -0.865 19214 4805 1 7 . 1 1 455 455 LEU CB C 455 43.848 43.848 42.492 1.356 19214 4806 1 7 . 1 1 455 455 LEU H H 455 7.393 7.393 8.350 -0.957 19214 4807 1 7 . 1 1 456 456 ALA N N 456 124.090 124.090 117.038 7.052 19214 4808 1 7 . 1 1 456 456 ALA HA H 456 4.239 4.239 4.039 0.200 19214 4809 1 7 . 1 1 456 456 ALA C C 456 177.010 177.010 177.349 -0.339 19214 4810 1 7 . 1 1 456 456 ALA CA C 456 52.955 52.955 52.691 0.264 19214 4811 1 7 . 1 1 456 456 ALA CB C 456 16.479 16.479 16.344 0.135 19214 4812 1 7 . 1 1 456 456 ALA H H 456 8.567 8.567 7.655 0.912 19214 4813 1 7 . 1 1 457 457 CYS N N 457 111.388 111.388 116.244 -4.856 19214 4814 1 7 . 1 1 457 457 CYS HA H 457 5.658 5.658 4.536 1.122 19214 4815 1 7 . 1 1 457 457 CYS C C 457 173.094 173.094 175.044 -1.950 19214 4816 1 7 . 1 1 457 457 CYS CA C 457 54.770 54.770 58.722 -3.952 19214 4817 1 7 . 1 1 457 457 CYS CB C 457 29.803 29.803 29.174 0.629 19214 4818 1 7 . 1 1 457 457 CYS H H 457 6.942 6.942 7.743 -0.801 19214 4819 1 7 . 1 1 458 458 ASP N N 458 117.058 117.058 119.914 -2.856 19214 4820 1 7 . 1 1 458 458 ASP HA H 458 4.808 4.808 4.773 0.035 19214 4821 1 7 . 1 1 458 458 ASP C C 458 175.313 175.313 175.224 0.089 19214 4822 1 7 . 1 1 458 458 ASP CA C 458 57.780 57.780 54.587 3.193 19214 4823 1 7 . 1 1 458 458 ASP CB C 458 42.699 42.699 43.373 -0.673 19214 4824 1 7 . 1 1 458 458 ASP H H 458 7.157 7.157 8.343 -1.186 19214 4825 1 7 . 1 1 459 459 ARG N N 459 117.570 117.570 117.663 -0.093 19214 4826 1 7 . 1 1 459 459 ARG HA H 459 5.396 5.396 4.630 0.766 19214 4827 1 7 . 1 1 459 459 ARG C C 459 174.465 174.465 173.832 0.633 19214 4828 1 7 . 1 1 459 459 ARG CA C 459 55.628 55.628 55.502 0.126 19214 4829 1 7 . 1 1 459 459 ARG CB C 459 35.127 35.127 33.835 1.292 19214 4830 1 7 . 1 1 459 459 ARG H H 459 7.946 7.946 7.581 0.365 19214 4831 1 7 . 1 1 460 460 VAL N N 460 126.878 126.878 123.159 3.719 19214 4832 1 7 . 1 1 460 460 VAL HA H 460 5.410 5.410 4.717 0.693 19214 4833 1 7 . 1 1 460 460 VAL C C 460 174.698 174.698 173.863 0.835 19214 4834 1 7 . 1 1 460 460 VAL CA C 460 61.229 61.229 61.365 -0.136 19214 4835 1 7 . 1 1 460 460 VAL CB C 460 35.335 35.335 36.119 -0.784 19214 4836 1 7 . 1 1 460 460 VAL H H 460 9.200 9.200 8.923 0.277 19214 4837 1 7 . 1 1 461 461 ILE N N 461 120.070 120.070 119.638 0.432 19214 4838 1 7 . 1 1 461 461 ILE HA H 461 5.198 5.198 4.755 0.443 19214 4839 1 7 . 1 1 461 461 ILE C C 461 174.647 174.647 173.527 1.120 19214 4840 1 7 . 1 1 461 461 ILE CA C 461 59.112 59.112 59.904 -0.792 19214 4841 1 7 . 1 1 461 461 ILE CB C 461 42.959 42.959 42.077 0.882 19214 4842 1 7 . 1 1 461 461 ILE H H 461 9.247 9.247 8.612 0.635 19214 4843 1 7 . 1 1 462 462 VAL N N 462 118.676 118.676 121.268 -2.592 19214 4844 1 7 . 1 1 462 462 VAL HA H 462 4.668 4.668 4.711 -0.043 19214 4845 1 7 . 1 1 462 462 VAL C C 462 173.970 173.970 175.162 -1.192 19214 4846 1 7 . 1 1 462 462 VAL CA C 462 61.528 61.528 60.514 1.014 19214 4847 1 7 . 1 1 462 462 VAL CB C 462 33.865 33.865 33.522 0.343 19214 4848 1 7 . 1 1 462 462 VAL H H 462 7.400 7.400 8.796 -1.396 19214 4849 1 7 . 1 1 463 463 TYR N N 463 131.551 131.551 126.271 5.280 19214 4850 1 7 . 1 1 463 463 TYR HA H 463 4.937 4.937 5.482 -0.545 19214 4851 1 7 . 1 1 463 463 TYR C C 463 173.196 173.196 172.624 0.572 19214 4852 1 7 . 1 1 463 463 TYR CA C 463 55.589 55.589 55.998 -0.409 19214 4853 1 7 . 1 1 463 463 TYR CB C 463 41.849 41.849 42.549 -0.700 19214 4854 1 7 . 1 1 463 463 TYR H H 463 8.782 8.782 7.913 0.869 19214 4855 1 7 . 1 1 464 464 ALA N N 464 127.436 127.436 123.810 3.626 19214 4856 1 7 . 1 1 464 464 ALA HA H 464 4.418 4.418 4.467 -0.049 19214 4857 1 7 . 1 1 464 464 ALA C C 464 175.095 175.095 174.635 0.460 19214 4858 1 7 . 1 1 464 464 ALA CA C 464 50.422 50.422 49.773 0.649 19214 4859 1 7 . 1 1 464 464 ALA CB C 464 22.676 22.676 22.363 0.313 19214 4860 1 7 . 1 1 464 464 ALA H H 464 8.295 8.295 8.192 0.103 19214 4861 1 7 . 1 1 465 465 PHE N N 465 116.385 116.385 117.801 -1.416 19214 4862 1 7 . 1 1 465 465 PHE HA H 465 4.434 4.434 5.549 -1.115 19214 4863 1 7 . 1 1 465 465 PHE C C 465 176.189 176.189 174.536 1.653 19214 4864 1 7 . 1 1 465 465 PHE CA C 465 56.771 56.771 55.212 1.559 19214 4865 1 7 . 1 1 465 465 PHE CB C 465 42.082 42.082 39.710 2.372 19214 4866 1 7 . 1 1 465 465 PHE H H 465 7.426 7.426 8.315 -0.889 19214 4867 1 7 . 1 1 466 466 ASP N N 466 121.980 121.980 124.808 -2.828 19214 4868 1 7 . 1 1 466 466 ASP HA H 466 4.765 4.765 4.271 0.494 19214 4869 1 7 . 1 1 466 466 ASP C C 466 178.212 178.212 177.284 0.928 19214 4870 1 7 . 1 1 466 466 ASP CA C 466 52.007 52.007 53.621 -1.614 19214 4871 1 7 . 1 1 466 466 ASP CB C 466 41.201 41.201 42.252 -1.051 19214 4872 1 7 . 1 1 466 466 ASP H H 466 8.012 8.012 7.979 0.033 19214 4873 1 7 . 1 1 467 467 ASP N N 467 116.915 116.915 117.676 -0.761 19214 4874 1 7 . 1 1 467 467 ASP HA H 467 4.146 4.146 4.391 -0.245 19214 4875 1 7 . 1 1 467 467 ASP C C 467 176.189 176.189 175.022 1.167 19214 4876 1 7 . 1 1 467 467 ASP CA C 467 56.172 56.172 54.763 1.409 19214 4877 1 7 . 1 1 467 467 ASP CB C 467 40.189 40.189 40.074 0.115 19214 4878 1 7 . 1 1 467 467 ASP H H 467 8.335 8.335 8.488 -0.153 19214 4879 1 7 . 1 1 468 468 ASN N N 468 116.918 116.918 116.307 0.611 19214 4880 1 7 . 1 1 468 468 ASN HA H 468 4.689 4.689 4.313 0.376 19214 4881 1 7 . 1 1 468 468 ASN C C 468 174.068 174.068 174.628 -0.560 19214 4882 1 7 . 1 1 468 468 ASN CA C 468 52.711 52.711 52.392 0.319 19214 4883 1 7 . 1 1 468 468 ASN CB C 468 39.418 39.418 38.925 0.493 19214 4884 1 7 . 1 1 468 468 ASN H H 468 8.237 8.237 7.940 0.297 19214 4885 1 7 . 1 1 469 469 TYR N N 469 113.180 113.180 113.551 -0.371 19214 4886 1 7 . 1 1 469 469 TYR HA H 469 3.614 3.614 4.239 -0.625 19214 4887 1 7 . 1 1 469 469 TYR C C 469 173.766 173.766 174.332 -0.566 19214 4888 1 7 . 1 1 469 469 TYR CA C 469 60.636 60.636 58.478 2.158 19214 4889 1 7 . 1 1 469 469 TYR CB C 469 34.697 34.697 35.344 -0.647 19214 4890 1 7 . 1 1 469 469 TYR H H 469 7.975 7.975 7.225 0.750 19214 4891 1 7 . 1 1 470 470 VAL N N 470 120.871 120.871 118.792 2.079 19214 4892 1 7 . 1 1 470 470 VAL HA H 470 4.100 4.100 4.312 -0.212 19214 4893 1 7 . 1 1 470 470 VAL CA C 470 63.555 63.555 61.624 1.931 19214 4894 1 7 . 1 1 470 470 VAL CB C 470 31.054 31.054 33.011 -1.957 19214 4895 1 7 . 1 1 470 470 VAL H H 470 8.354 8.354 7.331 1.023 19214 4896 1 7 . 1 1 474 474 VAL HA H 474 4.288 4.288 3.645 0.643 19214 4897 1 7 . 1 1 474 474 VAL C C 474 175.489 175.489 175.888 -0.399 19214 4898 1 7 . 1 1 474 474 VAL CA C 474 61.669 61.669 64.980 -3.311 19214 4899 1 7 . 1 1 474 474 VAL CB C 474 32.382 32.382 31.840 0.542 19214 4900 1 7 . 1 1 475 475 ALA N N 475 118.920 118.920 118.695 0.225 19214 4901 1 7 . 1 1 475 475 ALA HA H 475 4.552 4.552 4.614 -0.062 19214 4902 1 7 . 1 1 475 475 ALA C C 475 174.363 174.363 174.714 -0.351 19214 4903 1 7 . 1 1 475 475 ALA CA C 475 52.023 52.023 51.672 0.350 19214 4904 1 7 . 1 1 475 475 ALA CB C 475 23.339 23.339 21.335 2.004 19214 4905 1 7 . 1 1 475 475 ALA H H 475 7.321 7.321 7.286 0.035 19214 4906 1 7 . 1 1 476 476 GLU N N 476 121.933 121.933 122.579 -0.646 19214 4907 1 7 . 1 1 476 476 GLU HA H 476 5.128 5.128 4.597 0.531 19214 4908 1 7 . 1 1 476 476 GLU C C 476 173.921 173.921 174.992 -1.071 19214 4909 1 7 . 1 1 476 476 GLU CA C 476 55.372 55.372 55.033 0.339 19214 4910 1 7 . 1 1 476 476 GLU CB C 476 35.144 35.144 32.803 2.341 19214 4911 1 7 . 1 1 476 476 GLU H H 476 8.969 8.969 8.569 0.400 19214 4912 1 7 . 1 1 477 477 SER N N 477 121.397 121.397 122.933 -1.536 19214 4913 1 7 . 1 1 477 477 SER HA H 477 4.855 4.855 4.937 -0.082 19214 4914 1 7 . 1 1 477 477 SER C C 477 173.315 173.315 172.852 0.463 19214 4915 1 7 . 1 1 477 477 SER CA C 477 56.600 56.600 57.588 -0.988 19214 4916 1 7 . 1 1 477 477 SER CB C 477 64.022 64.022 64.773 -0.751 19214 4917 1 7 . 1 1 477 477 SER H H 477 9.069 9.069 9.006 0.063 19214 4918 1 7 . 1 1 478 478 VAL N N 478 128.194 128.194 121.109 7.085 19214 4919 1 7 . 1 1 478 478 VAL HA H 478 5.287 5.287 4.492 0.795 19214 4920 1 7 . 1 1 478 478 VAL C C 478 173.093 173.093 175.174 -2.081 19214 4921 1 7 . 1 1 478 478 VAL CA C 478 58.849 58.849 59.646 -0.797 19214 4922 1 7 . 1 1 478 478 VAL CB C 478 35.764 35.764 34.193 1.571 19214 4923 1 7 . 1 1 478 478 VAL H H 478 9.081 9.081 8.471 0.610 19214 4924 1 7 . 1 1 479 479 ALA N N 479 129.566 129.566 130.108 -0.542 19214 4925 1 7 . 1 1 479 479 ALA HA H 479 4.358 4.358 4.345 0.013 19214 4926 1 7 . 1 1 479 479 ALA C C 479 176.760 176.760 177.639 -0.879 19214 4927 1 7 . 1 1 479 479 ALA CA C 479 52.215 52.215 52.179 0.036 19214 4928 1 7 . 1 1 479 479 ALA CB C 479 20.082 20.082 19.715 0.367 19214 4929 1 7 . 1 1 479 479 ALA H H 479 8.688 8.688 8.345 0.343 19214 4930 1 7 . 1 1 480 480 GLU N N 480 120.391 120.391 120.330 0.061 19214 4931 1 7 . 1 1 480 480 GLU HA H 480 4.011 4.011 4.085 -0.074 19214 4932 1 7 . 1 1 480 480 GLU C C 480 177.201 177.201 177.463 -0.262 19214 4933 1 7 . 1 1 480 480 GLU CA C 480 58.178 58.178 58.340 -0.161 19214 4934 1 7 . 1 1 480 480 GLU CB C 480 29.829 29.829 29.796 0.033 19214 4935 1 7 . 1 1 480 480 GLU H H 480 8.531 8.531 8.577 -0.046 19214 4936 1 7 . 1 1 481 481 GLY N N 481 110.913 110.913 110.236 0.677 19214 4937 1 7 . 1 1 481 481 GLY C C 481 174.000 174.000 174.207 -0.207 19214 4938 1 7 . 1 1 481 481 GLY CA C 481 44.644 44.644 44.312 0.332 19214 4939 1 7 . 1 1 481 481 GLY H H 481 8.557 8.557 8.694 -0.137 19214 4940 1 7 . 1 1 482 482 TRP N N 482 119.571 119.571 122.672 -3.101 19214 4941 1 7 . 1 1 482 482 TRP HA H 482 5.200 5.200 5.011 0.189 19214 4942 1 7 . 1 1 482 482 TRP CA C 482 53.641 53.641 54.396 -0.755 19214 4943 1 7 . 1 1 482 482 TRP CB C 482 29.556 29.556 29.486 0.070 19214 4944 1 7 . 1 1 482 482 TRP H H 482 7.066 7.066 7.155 -0.089 19214 4945 1 7 . 1 1 484 484 GLN CB C 484 28.700 28.700 28.976 -0.276 19214 4946 1 7 . 1 1 485 485 ALA HA H 485 4.021 4.021 4.233 -0.212 19214 4947 1 7 . 1 1 485 485 ALA C C 485 180.181 180.181 178.874 1.307 19214 4948 1 7 . 1 1 485 485 ALA CA C 485 55.328 55.328 53.966 1.362 19214 4949 1 7 . 1 1 485 485 ALA CB C 485 18.537 18.537 18.783 -0.246 19214 4950 1 7 . 1 1 486 486 ARG N N 486 114.901 114.901 119.016 -4.115 19214 4951 1 7 . 1 1 486 486 ARG HA H 486 4.104 4.104 4.016 0.088 19214 4952 1 7 . 1 1 486 486 ARG C C 486 176.165 176.165 176.733 -0.568 19214 4953 1 7 . 1 1 486 486 ARG CA C 486 58.068 58.068 58.822 -0.754 19214 4954 1 7 . 1 1 486 486 ARG CB C 486 29.624 29.624 29.906 -0.282 19214 4955 1 7 . 1 1 486 486 ARG H H 486 8.998 8.998 8.200 0.798 19214 4956 1 7 . 1 1 487 487 ASP N N 487 117.227 117.227 116.840 0.387 19214 4957 1 7 . 1 1 487 487 ASP HA H 487 4.724 4.724 4.601 0.123 19214 4958 1 7 . 1 1 487 487 ASP C C 487 175.859 175.859 176.380 -0.521 19214 4959 1 7 . 1 1 487 487 ASP CA C 487 54.873 54.873 55.577 -0.704 19214 4960 1 7 . 1 1 487 487 ASP CB C 487 41.415 41.415 41.085 0.330 19214 4961 1 7 . 1 1 487 487 ASP H H 487 7.424 7.424 7.796 -0.372 19214 4962 1 7 . 1 1 488 488 GLN N N 488 117.558 117.558 118.606 -1.048 19214 4963 1 7 . 1 1 488 488 GLN HA H 488 4.471 4.471 4.503 -0.032 19214 4964 1 7 . 1 1 488 488 GLN C C 488 175.010 175.010 174.952 0.058 19214 4965 1 7 . 1 1 488 488 GLN CA C 488 54.037 54.037 54.964 -0.927 19214 4966 1 7 . 1 1 488 488 GLN CB C 488 29.989 29.989 29.996 -0.007 19214 4967 1 7 . 1 1 488 488 GLN H H 488 7.548 7.548 8.261 -0.713 19214 4968 1 7 . 1 1 489 489 VAL N N 489 122.991 122.991 124.719 -1.728 19214 4969 1 7 . 1 1 489 489 VAL HA H 489 4.102 4.102 4.201 -0.099 19214 4970 1 7 . 1 1 489 489 VAL C C 489 175.471 175.471 175.444 0.027 19214 4971 1 7 . 1 1 489 489 VAL CA C 489 62.947 62.947 61.338 1.609 19214 4972 1 7 . 1 1 489 489 VAL CB C 489 31.473 31.473 32.917 -1.444 19214 4973 1 7 . 1 1 489 489 VAL H H 489 8.426 8.426 8.480 -0.054 19214 4974 1 7 . 1 1 490 490 ILE N N 490 128.401 128.401 129.381 -0.980 19214 4975 1 7 . 1 1 490 490 ILE HA H 490 4.310 4.310 3.803 0.507 19214 4976 1 7 . 1 1 490 490 ILE H H 490 8.474 8.474 8.514 -0.040 19214 4977 1 7 . 1 1 491 491 GLU HA H 491 4.361 4.361 4.121 0.240 19214 4978 1 7 . 1 1 491 491 GLU C C 491 174.175 174.175 176.482 -2.307 19214 4979 1 7 . 1 1 491 491 GLU CA C 491 54.874 54.874 57.833 -2.959 19214 4980 1 7 . 1 1 491 491 GLU CB C 491 31.063 31.063 29.819 1.244 19214 4981 1 7 . 1 1 492 492 ASP N N 492 117.270 117.270 120.868 -3.598 19214 4982 1 7 . 1 1 492 492 ASP HA H 492 4.730 4.730 4.614 0.116 19214 4983 1 7 . 1 1 492 492 ASP CA C 492 52.914 52.914 51.858 1.056 19214 4984 1 7 . 1 1 492 492 ASP CB C 492 44.223 44.223 41.178 3.045 19214 4985 1 7 . 1 1 492 492 ASP H H 492 6.870 6.870 8.017 -1.147 19214 4986 1 7 . 1 1 493 493 PRO C C 493 178.700 178.700 176.686 2.014 19214 4987 1 7 . 1 1 493 493 PRO CA C 493 63.429 63.429 62.184 1.244 19214 4988 1 7 . 1 1 493 493 PRO CB C 493 32.064 32.064 33.353 -1.289 19214 4989 1 7 . 1 1 494 494 CYS N N 494 121.800 121.800 118.718 3.082 19214 4990 1 7 . 1 1 494 494 CYS H H 494 8.010 8.010 8.681 -0.671 19214 4991 1 7 . 1 1 495 495 PHE CB C 495 36.800 36.800 39.292 -2.492 19214 4992 1 7 . 1 1 500 500 VAL C C 500 177.132 177.132 177.735 -0.603 19214 4993 1 7 . 1 1 501 501 GLU N N 501 117.783 117.783 120.283 -2.500 19214 4994 1 7 . 1 1 501 501 GLU C C 501 178.329 178.329 178.740 -0.411 19214 4995 1 7 . 1 1 501 501 GLU H H 501 8.169 8.169 7.764 0.405 19214 4996 1 7 . 1 1 502 502 ALA N N 502 120.877 120.877 121.364 -0.487 19214 4997 1 7 . 1 1 502 502 ALA HA H 502 3.976 3.976 3.967 0.009 19214 4998 1 7 . 1 1 502 502 ALA C C 502 181.216 181.216 178.744 2.472 19214 4999 1 7 . 1 1 502 502 ALA CA C 502 55.113 55.113 54.850 0.263 19214 5000 1 7 . 1 1 502 502 ALA CB C 502 17.660 17.660 18.515 -0.855 19214 5001 1 7 . 1 1 502 502 ALA H H 502 7.982 7.982 8.384 -0.402 19214 5002 1 7 . 1 1 503 503 TYR N N 503 116.217 116.217 117.018 -0.801 19214 5003 1 7 . 1 1 503 503 TYR HA H 503 4.440 4.440 4.378 0.062 19214 5004 1 7 . 1 1 503 503 TYR C C 503 178.488 178.488 178.579 -0.091 19214 5005 1 7 . 1 1 503 503 TYR CA C 503 62.517 62.517 60.442 2.075 19214 5006 1 7 . 1 1 503 503 TYR CB C 503 38.834 38.834 38.236 0.598 19214 5007 1 7 . 1 1 503 503 TYR H H 503 7.310 7.310 7.320 -0.010 19214 5008 1 7 . 1 1 504 504 ARG N N 504 122.384 122.384 119.947 2.437 19214 5009 1 7 . 1 1 504 504 ARG HA H 504 3.748 3.748 3.998 -0.250 19214 5010 1 7 . 1 1 504 504 ARG C C 504 177.207 177.207 177.182 0.025 19214 5011 1 7 . 1 1 504 504 ARG CA C 504 59.734 59.734 59.094 0.640 19214 5012 1 7 . 1 1 504 504 ARG CB C 504 30.200 30.200 29.934 0.266 19214 5013 1 7 . 1 1 504 504 ARG H H 504 8.424 8.424 7.909 0.515 19214 5014 1 7 . 1 1 505 505 GLN N N 505 112.682 112.682 115.829 -3.147 19214 5015 1 7 . 1 1 505 505 GLN HA H 505 4.220 4.220 4.288 -0.068 19214 5016 1 7 . 1 1 505 505 GLN C C 505 176.342 176.342 176.593 -0.251 19214 5017 1 7 . 1 1 505 505 GLN CA C 505 55.587 55.587 56.063 -0.476 19214 5018 1 7 . 1 1 505 505 GLN CB C 505 28.591 28.591 29.183 -0.592 19214 5019 1 7 . 1 1 505 505 GLN H H 505 7.436 7.436 7.406 0.030 19214 5020 1 7 . 1 1 506 506 GLY N N 506 107.068 107.068 108.776 -1.708 19214 5021 1 7 . 1 1 506 506 GLY C C 506 174.202 174.202 174.551 -0.349 19214 5022 1 7 . 1 1 506 506 GLY CA C 506 45.499 45.499 45.374 0.125 19214 5023 1 7 . 1 1 506 506 GLY H H 506 7.910 7.910 8.379 -0.469 19214 5024 1 7 . 1 1 507 507 ARG N N 507 123.044 123.044 120.318 2.726 19214 5025 1 7 . 1 1 507 507 ARG HA H 507 3.857 3.857 4.161 -0.304 19214 5026 1 7 . 1 1 507 507 ARG C C 507 172.375 172.375 176.125 -3.750 19214 5027 1 7 . 1 1 507 507 ARG CA C 507 57.969 57.969 56.951 1.018 19214 5028 1 7 . 1 1 507 507 ARG CB C 507 30.269 30.269 31.096 -0.827 19214 5029 1 7 . 1 1 507 507 ARG H H 507 7.934 7.934 7.836 0.098 19214 5030 1 7 . 1 1 508 508 ILE N N 508 120.600 120.600 119.880 0.720 19214 5031 1 7 . 1 1 508 508 ILE HA H 508 4.819 4.819 4.253 0.566 19214 5032 1 7 . 1 1 508 508 ILE C C 508 177.238 177.238 174.915 2.323 19214 5033 1 7 . 1 1 508 508 ILE CA C 508 59.801 59.801 60.565 -0.764 19214 5034 1 7 . 1 1 508 508 ILE CB C 508 41.877 41.877 39.300 2.577 19214 5035 1 7 . 1 1 508 508 ILE H H 508 7.572 7.572 8.062 -0.490 19214 5036 1 7 . 1 1 509 509 GLN N N 509 127.676 127.676 127.474 0.202 19214 5037 1 7 . 1 1 509 509 GLN HA H 509 4.761 4.761 4.657 0.104 19214 5038 1 7 . 1 1 509 509 GLN C C 509 172.804 172.804 173.583 -0.779 19214 5039 1 7 . 1 1 509 509 GLN CA C 509 54.158 54.158 54.546 -0.388 19214 5040 1 7 . 1 1 509 509 GLN CB C 509 31.078 31.078 31.000 0.078 19214 5041 1 7 . 1 1 509 509 GLN H H 509 8.894 8.894 8.420 0.474 19214 5042 1 7 . 1 1 510 510 ALA N N 510 132.910 132.910 130.623 2.287 19214 5043 1 7 . 1 1 510 510 ALA HA H 510 4.912 4.912 4.716 0.196 19214 5044 1 7 . 1 1 510 510 ALA C C 510 175.581 175.581 176.557 -0.976 19214 5045 1 7 . 1 1 510 510 ALA CA C 510 51.180 51.180 51.314 -0.134 19214 5046 1 7 . 1 1 510 510 ALA CB C 510 19.939 19.939 20.679 -0.740 19214 5047 1 7 . 1 1 510 510 ALA H H 510 9.110 9.110 8.745 0.365 19214 5048 1 7 . 1 1 511 511 THR N N 511 123.543 123.543 122.851 0.692 19214 5049 1 7 . 1 1 511 511 THR HA H 511 4.636 4.636 4.828 -0.192 19214 5050 1 7 . 1 1 511 511 THR C C 511 174.690 174.690 175.563 -0.873 19214 5051 1 7 . 1 1 511 511 THR CA C 511 61.883 61.883 61.671 0.212 19214 5052 1 7 . 1 1 511 511 THR CB C 511 69.826 69.826 69.700 0.126 19214 5053 1 7 . 1 1 511 511 THR H H 511 9.525 9.525 8.299 1.226 19214 5054 1 7 . 1 1 512 512 THR N N 512 129.502 129.502 115.375 14.127 19214 5055 1 7 . 1 1 512 512 THR HA H 512 4.524 4.524 3.961 0.563 19214 5056 1 7 . 1 1 512 512 THR C C 512 172.791 172.791 173.703 -0.912 19214 5057 1 7 . 1 1 512 512 THR CA C 512 63.974 63.974 64.694 -0.720 19214 5058 1 7 . 1 1 512 512 THR CB C 512 69.199 69.199 69.131 0.068 19214 5059 1 7 . 1 1 512 512 THR H H 512 9.024 9.024 8.786 0.238 19214 5060 1 7 . 1 1 513 513 ASP N N 513 113.203 113.203 116.560 -3.357 19214 5061 1 7 . 1 1 513 513 ASP HA H 513 4.891 4.891 4.796 0.095 19214 5062 1 7 . 1 1 513 513 ASP C C 513 179.282 179.282 175.656 3.626 19214 5063 1 7 . 1 1 513 513 ASP CA C 513 51.637 51.637 53.231 -1.595 19214 5064 1 7 . 1 1 513 513 ASP CB C 513 42.591 42.591 42.024 0.567 19214 5065 1 7 . 1 1 513 513 ASP H H 513 7.263 7.263 7.733 -0.470 19214 5066 1 7 . 1 1 514 514 ILE N N 514 122.554 122.554 120.817 1.737 19214 5067 1 7 . 1 1 514 514 ILE HA H 514 3.595 3.595 3.872 -0.277 19214 5068 1 7 . 1 1 514 514 ILE C C 514 175.984 175.984 176.679 -0.695 19214 5069 1 7 . 1 1 514 514 ILE CA C 514 64.552 64.552 63.387 1.165 19214 5070 1 7 . 1 1 514 514 ILE CB C 514 37.796 37.796 37.794 0.002 19214 5071 1 7 . 1 1 514 514 ILE H H 514 9.465 9.465 8.701 0.764 19214 5072 1 7 . 1 1 515 515 PHE N N 515 117.573 117.573 117.819 -0.246 19214 5073 1 7 . 1 1 515 515 PHE HA H 515 4.399 4.399 4.229 0.170 19214 5074 1 7 . 1 1 515 515 PHE C C 515 176.347 176.347 176.348 -0.001 19214 5075 1 7 . 1 1 515 515 PHE CA C 515 59.346 59.346 60.101 -0.755 19214 5076 1 7 . 1 1 515 515 PHE CB C 515 37.709 37.709 38.600 -0.891 19214 5077 1 7 . 1 1 515 515 PHE H H 515 7.804 7.804 8.362 -0.558 19214 5078 1 7 . 1 1 516 516 LYS N N 516 118.690 118.690 117.454 1.236 19214 5079 1 7 . 1 1 516 516 LYS HA H 516 4.692 4.692 4.384 0.308 19214 5080 1 7 . 1 1 516 516 LYS C C 516 175.821 175.821 175.472 0.349 19214 5081 1 7 . 1 1 516 516 LYS CA C 516 54.851 54.851 55.607 -0.756 19214 5082 1 7 . 1 1 516 516 LYS CB C 516 33.855 33.855 31.826 2.029 19214 5083 1 7 . 1 1 516 516 LYS H H 516 7.559 7.559 7.626 -0.067 19214 5084 1 7 . 1 1 517 517 ALA N N 517 121.471 121.471 120.889 0.582 19214 5085 1 7 . 1 1 517 517 ALA HA H 517 4.530 4.530 4.545 -0.015 19214 5086 1 7 . 1 1 517 517 ALA CA C 517 52.124 52.124 51.251 0.873 19214 5087 1 7 . 1 1 517 517 ALA CB C 517 20.974 20.974 20.684 0.290 19214 5088 1 7 . 1 1 517 517 ALA H H 517 7.219 7.219 7.217 0.002 19214 5089 1 7 . 1 1 518 518 GLY C C 518 175.423 175.423 174.782 0.641 19214 5090 1 7 . 1 1 518 518 GLY CA C 518 46.692 46.692 45.377 1.315 19214 5091 1 7 . 1 1 519 519 LEU N N 519 119.857 119.857 118.676 1.181 19214 5092 1 7 . 1 1 519 519 LEU HA H 519 4.348 4.348 4.088 0.260 19214 5093 1 7 . 1 1 519 519 LEU C C 519 177.704 177.704 178.892 -1.188 19214 5094 1 7 . 1 1 519 519 LEU CA C 519 54.535 54.535 56.213 -1.678 19214 5095 1 7 . 1 1 519 519 LEU CB C 519 41.174 41.174 41.221 -0.047 19214 5096 1 7 . 1 1 519 519 LEU H H 519 8.531 8.531 7.767 0.764 19214 5097 1 7 . 1 1 520 520 THR N N 520 113.386 113.386 108.790 4.596 19214 5098 1 7 . 1 1 520 520 THR HA H 520 4.260 4.260 3.731 0.529 19214 5099 1 7 . 1 1 520 520 THR CA C 520 61.653 61.653 63.747 -2.094 19214 5100 1 7 . 1 1 520 520 THR CB C 520 71.260 71.260 68.048 3.212 19214 5101 1 7 . 1 1 520 520 THR H H 520 9.352 9.352 8.590 0.762 19214 5102 1 7 . 1 1 522 522 CYS HA H 522 4.385 4.385 4.328 0.057 19214 5103 1 7 . 1 1 522 522 CYS C C 522 175.903 175.903 174.107 1.796 19214 5104 1 7 . 1 1 522 522 CYS CA C 522 58.664 58.664 59.042 -0.378 19214 5105 1 7 . 1 1 522 522 CYS CB C 522 31.785 31.785 25.925 5.860 19214 5106 1 7 . 1 1 523 523 HIS N N 523 125.416 125.416 120.326 5.090 19214 5107 1 7 . 1 1 523 523 HIS HA H 523 4.430 4.430 4.380 0.050 19214 5108 1 7 . 1 1 523 523 HIS C C 523 178.292 178.292 176.348 1.944 19214 5109 1 7 . 1 1 523 523 HIS CA C 523 55.874 55.874 56.325 -0.451 19214 5110 1 7 . 1 1 523 523 HIS CB C 523 33.792 33.792 30.651 3.141 19214 5111 1 7 . 1 1 523 523 HIS H H 523 7.210 7.210 7.729 -0.519 19214 5112 1 7 . 1 1 524 524 LEU N N 524 120.382 120.382 120.368 0.014 19214 5113 1 7 . 1 1 524 524 LEU HA H 524 3.447 3.447 3.572 -0.125 19214 5114 1 7 . 1 1 524 524 LEU C C 524 179.772 179.772 178.035 1.737 19214 5115 1 7 . 1 1 524 524 LEU CA C 524 58.643 58.643 58.607 0.036 19214 5116 1 7 . 1 1 524 524 LEU CB C 524 41.395 41.395 41.026 0.369 19214 5117 1 7 . 1 1 524 524 LEU H H 524 8.407 8.407 8.569 -0.162 19214 5118 1 7 . 1 1 525 525 ASN N N 525 115.617 115.617 116.955 -1.338 19214 5119 1 7 . 1 1 525 525 ASN HA H 525 4.474 4.474 4.413 0.061 19214 5120 1 7 . 1 1 525 525 ASN C C 525 176.493 176.493 176.657 -0.164 19214 5121 1 7 . 1 1 525 525 ASN CA C 525 55.154 55.154 55.795 -0.641 19214 5122 1 7 . 1 1 525 525 ASN CB C 525 38.056 38.056 38.082 -0.026 19214 5123 1 7 . 1 1 525 525 ASN H H 525 8.540 8.540 8.293 0.247 19214 5124 1 7 . 1 1 526 526 GLN N N 526 116.828 116.828 115.205 1.623 19214 5125 1 7 . 1 1 526 526 GLN HA H 526 4.004 4.004 4.347 -0.343 19214 5126 1 7 . 1 1 526 526 GLN C C 526 175.549 175.549 176.756 -1.207 19214 5127 1 7 . 1 1 526 526 GLN CA C 526 57.483 57.483 56.958 0.525 19214 5128 1 7 . 1 1 526 526 GLN CB C 526 29.433 29.433 29.889 -0.456 19214 5129 1 7 . 1 1 526 526 GLN H H 526 7.492 7.492 7.771 -0.279 19214 5130 1 7 . 1 1 527 527 LEU N N 527 115.200 115.200 119.596 -4.396 19214 5131 1 7 . 1 1 527 527 LEU HA H 527 4.064 4.064 4.457 -0.393 19214 5132 1 7 . 1 1 527 527 LEU C C 527 178.808 178.808 177.746 1.062 19214 5133 1 7 . 1 1 527 527 LEU CA C 527 55.460 55.460 55.999 -0.539 19214 5134 1 7 . 1 1 527 527 LEU CB C 527 43.643 43.643 42.652 0.991 19214 5135 1 7 . 1 1 527 527 LEU H H 527 6.803 6.803 8.281 -1.478 19214 5136 1 7 . 1 1 528 528 ARG N N 528 121.174 121.174 120.843 0.331 19214 5137 1 7 . 1 1 528 528 ARG HA H 528 4.230 4.230 4.378 -0.148 19214 5138 1 7 . 1 1 528 528 ARG CA C 528 61.240 61.240 59.452 1.788 19214 5139 1 7 . 1 1 528 528 ARG CB C 528 28.670 28.670 27.689 0.981 19214 5140 1 7 . 1 1 528 528 ARG H H 528 8.763 8.763 8.670 0.093 19214 5141 1 7 . 1 1 529 529 PRO HA H 529 4.397 4.397 4.250 0.147 19214 5142 1 7 . 1 1 529 529 PRO C C 529 176.672 176.672 177.191 -0.519 19214 5143 1 7 . 1 1 529 529 PRO CA C 529 65.693 65.693 65.356 0.337 19214 5144 1 7 . 1 1 529 529 PRO CB C 529 30.983 30.983 31.013 -0.030 19214 5145 1 7 . 1 1 530 530 LEU N N 530 112.952 112.952 113.555 -0.603 19214 5146 1 7 . 1 1 530 530 LEU HA H 530 4.198 4.198 4.162 0.036 19214 5147 1 7 . 1 1 530 530 LEU C C 530 176.746 176.746 176.728 0.018 19214 5148 1 7 . 1 1 530 530 LEU CA C 530 53.564 53.564 55.001 -1.437 19214 5149 1 7 . 1 1 530 530 LEU CB C 530 42.143 42.143 41.617 0.526 19214 5150 1 7 . 1 1 530 530 LEU H H 530 6.762 6.762 7.998 -1.236 19214 5151 1 7 . 1 1 531 531 LYS N N 531 114.491 114.491 113.396 1.095 19214 5152 1 7 . 1 1 531 531 LYS HA H 531 3.921 3.921 3.978 -0.057 19214 5153 1 7 . 1 1 531 531 LYS C C 531 173.427 173.427 175.658 -2.231 19214 5154 1 7 . 1 1 531 531 LYS CA C 531 56.732 56.732 56.750 -0.018 19214 5155 1 7 . 1 1 531 531 LYS CB C 531 28.329 28.329 29.771 -1.442 19214 5156 1 7 . 1 1 531 531 LYS H H 531 8.319 8.319 7.660 0.659 19214 5157 1 7 . 1 1 532 532 VAL N N 532 114.641 114.641 113.920 0.721 19214 5158 1 7 . 1 1 532 532 VAL HA H 532 2.631 2.631 3.913 -1.282 19214 5159 1 7 . 1 1 532 532 VAL C C 532 174.660 174.660 175.253 -0.593 19214 5160 1 7 . 1 1 532 532 VAL CA C 532 65.644 65.644 62.891 2.753 19214 5161 1 7 . 1 1 532 532 VAL CB C 532 32.120 32.120 30.865 1.255 19214 5162 1 7 . 1 1 532 532 VAL H H 532 6.295 6.295 7.185 -0.890 19214 5163 1 7 . 1 1 533 533 ARG N N 533 120.970 120.970 125.299 -4.329 19214 5164 1 7 . 1 1 533 533 ARG HA H 533 4.473 4.473 4.362 0.111 19214 5165 1 7 . 1 1 533 533 ARG C C 533 173.734 173.734 175.577 -1.843 19214 5166 1 7 . 1 1 533 533 ARG CA C 533 55.062 55.062 56.846 -1.784 19214 5167 1 7 . 1 1 533 533 ARG CB C 533 30.163 30.163 31.161 -0.998 19214 5168 1 7 . 1 1 533 533 ARG H H 533 8.446 8.446 7.887 0.559 19214 5169 1 7 . 1 1 534 534 ALA N N 534 123.443 123.443 119.583 3.860 19214 5170 1 7 . 1 1 534 534 ALA HA H 534 4.842 4.842 4.779 0.063 19214 5171 1 7 . 1 1 534 534 ALA C C 534 176.821 176.821 175.463 1.358 19214 5172 1 7 . 1 1 534 534 ALA CA C 534 51.093 51.093 50.593 0.500 19214 5173 1 7 . 1 1 534 534 ALA CB C 534 24.474 24.474 22.250 2.224 19214 5174 1 7 . 1 1 534 534 ALA H H 534 8.477 8.477 7.384 1.093 19214 5175 1 7 . 1 1 535 535 ASN N N 535 121.981 121.981 120.829 1.152 19214 5176 1 7 . 1 1 535 535 ASN HA H 535 5.709 5.709 5.116 0.593 19214 5177 1 7 . 1 1 535 535 ASN C C 535 171.453 171.453 173.351 -1.898 19214 5178 1 7 . 1 1 535 535 ASN CA C 535 52.188 52.188 53.040 -0.852 19214 5179 1 7 . 1 1 535 535 ASN CB C 535 44.081 44.081 42.159 1.922 19214 5180 1 7 . 1 1 535 535 ASN H H 535 8.910 8.910 8.589 0.321 19214 5181 1 7 . 1 1 536 536 LEU N N 536 132.341 132.341 127.102 5.239 19214 5182 1 7 . 1 1 536 536 LEU HA H 536 5.104 5.104 4.394 0.710 19214 5183 1 7 . 1 1 536 536 LEU C C 536 173.245 173.245 173.863 -0.618 19214 5184 1 7 . 1 1 536 536 LEU CA C 536 53.812 53.812 53.523 0.289 19214 5185 1 7 . 1 1 536 536 LEU CB C 536 41.977 41.977 44.942 -2.965 19214 5186 1 7 . 1 1 536 536 LEU H H 536 9.242 9.242 7.569 1.673 19214 5187 1 7 . 1 1 537 537 VAL N N 537 126.829 126.829 124.967 1.862 19214 5188 1 7 . 1 1 537 537 VAL HA H 537 4.580 4.580 4.774 -0.194 19214 5189 1 7 . 1 1 537 537 VAL C C 537 174.764 174.764 174.467 0.297 19214 5190 1 7 . 1 1 537 537 VAL CA C 537 61.450 61.450 60.750 0.700 19214 5191 1 7 . 1 1 537 537 VAL CB C 537 35.260 35.260 35.589 -0.329 19214 5192 1 7 . 1 1 537 537 VAL H H 537 9.258 9.258 8.383 0.875 19214 5193 1 7 . 1 1 538 538 VAL N N 538 120.280 120.280 117.794 2.486 19214 5194 1 7 . 1 1 538 538 VAL HA H 538 5.240 5.240 4.770 0.470 19214 5195 1 7 . 1 1 538 538 VAL CA C 538 56.785 56.785 59.456 -2.671 19214 5196 1 7 . 1 1 538 538 VAL CB C 538 33.470 33.470 32.981 0.489 19214 5197 1 7 . 1 1 538 538 VAL H H 538 8.809 8.809 8.023 0.786 19214 5198 1 7 . 1 1 539 539 PRO HA H 539 4.756 4.756 4.832 -0.076 19214 5199 1 7 . 1 1 539 539 PRO C C 539 175.826 175.826 176.670 -0.844 19214 5200 1 7 . 1 1 539 539 PRO CA C 539 62.754 62.754 62.074 0.680 19214 5201 1 7 . 1 1 539 539 PRO CB C 539 34.400 34.400 32.489 1.911 19214 5202 1 7 . 1 1 540 540 MET N N 540 118.724 118.724 121.892 -3.168 19214 5203 1 7 . 1 1 540 540 MET HA H 540 4.397 4.397 4.870 -0.473 19214 5204 1 7 . 1 1 540 540 MET C C 540 173.839 173.839 174.737 -0.898 19214 5205 1 7 . 1 1 540 540 MET CA C 540 55.758 55.758 55.283 0.475 19214 5206 1 7 . 1 1 540 540 MET CB C 540 34.217 34.217 33.882 0.335 19214 5207 1 7 . 1 1 540 540 MET H H 540 8.360 8.360 7.924 0.436 19214 5208 1 7 . 1 1 541 541 VAL N N 541 125.320 125.320 117.180 8.140 19214 5209 1 7 . 1 1 541 541 VAL HA H 541 5.100 5.100 5.236 -0.136 19214 5210 1 7 . 1 1 541 541 VAL C C 541 174.569 174.569 174.496 0.073 19214 5211 1 7 . 1 1 541 541 VAL CA C 541 60.526 60.526 60.005 0.521 19214 5212 1 7 . 1 1 541 541 VAL CB C 541 34.461 34.461 34.242 0.219 19214 5213 1 7 . 1 1 541 541 VAL H H 541 8.383 8.383 8.212 0.171 19214 5214 1 7 . 1 1 542 542 ILE N N 542 125.677 125.677 125.805 -0.128 19214 5215 1 7 . 1 1 542 542 ILE HA H 542 4.256 4.256 4.312 -0.056 19214 5216 1 7 . 1 1 542 542 ILE C C 542 175.815 175.815 175.145 0.670 19214 5217 1 7 . 1 1 542 542 ILE CA C 542 60.441 60.441 60.632 -0.191 19214 5218 1 7 . 1 1 542 542 ILE CB C 542 41.219 41.219 40.984 0.235 19214 5219 1 7 . 1 1 542 542 ILE H H 542 8.470 8.470 9.183 -0.713 19214 5220 1 7 . 1 1 543 543 ASP N N 543 130.204 130.204 127.557 2.647 19214 5221 1 7 . 1 1 543 543 ASP HA H 543 4.150 4.150 4.410 -0.260 19214 5222 1 7 . 1 1 543 543 ASP CA C 543 56.014 56.014 55.074 0.940 19214 5223 1 7 . 1 1 543 543 ASP CB C 543 39.515 39.515 40.157 -0.642 19214 5224 1 7 . 1 1 543 543 ASP H H 543 9.650 9.650 8.903 0.747 19214 5225 1 7 . 1 1 544 544 ASP HA H 544 4.180 4.180 4.196 -0.016 19214 5226 1 7 . 1 1 544 544 ASP C C 544 174.473 174.473 174.828 -0.355 19214 5227 1 7 . 1 1 544 544 ASP CA C 544 55.500 55.500 55.402 0.098 19214 5228 1 7 . 1 1 544 544 ASP CB C 544 40.941 40.941 39.898 1.043 19214 5229 1 7 . 1 1 545 545 GLN N N 545 117.251 117.251 115.138 2.113 19214 5230 1 7 . 1 1 545 545 GLN CA C 545 53.533 53.533 54.771 -1.238 19214 5231 1 7 . 1 1 545 545 GLN H H 545 7.868 7.868 7.613 0.255 19214 5232 1 7 . 1 1 546 546 LEU C C 546 174.500 174.500 176.656 -2.156 19214 5233 1 7 . 1 1 547 547 PHE N N 547 130.200 130.200 123.086 7.114 19214 5234 1 7 . 1 1 547 547 PHE HA H 547 4.650 4.650 4.653 -0.003 19214 5235 1 7 . 1 1 547 547 PHE C C 547 176.033 176.033 175.859 0.174 19214 5236 1 7 . 1 1 547 547 PHE CA C 547 59.700 59.700 57.969 1.731 19214 5237 1 7 . 1 1 547 547 PHE CB C 547 40.800 40.800 41.917 -1.117 19214 5238 1 7 . 1 1 547 547 PHE H H 547 9.120 9.120 8.634 0.486 19214 5239 1 7 . 1 1 548 548 GLY N N 548 102.705 102.705 106.254 -3.549 19214 5240 1 7 . 1 1 548 548 GLY C C 548 169.494 169.494 171.643 -2.149 19214 5241 1 7 . 1 1 548 548 GLY CA C 548 46.008 46.008 45.583 0.425 19214 5242 1 7 . 1 1 548 548 GLY H H 548 7.939 7.939 7.493 0.446 19214 5243 1 7 . 1 1 549 549 LEU N N 549 118.437 118.437 121.142 -2.705 19214 5244 1 7 . 1 1 549 549 LEU HA H 549 4.870 4.870 4.652 0.218 19214 5245 1 7 . 1 1 549 549 LEU C C 549 173.746 173.746 175.423 -1.677 19214 5246 1 7 . 1 1 549 549 LEU CA C 549 53.108 53.108 54.529 -1.421 19214 5247 1 7 . 1 1 549 549 LEU CB C 549 44.752 44.752 44.279 0.473 19214 5248 1 7 . 1 1 549 549 LEU H H 549 9.279 9.279 7.874 1.405 19214 5249 1 7 . 1 1 550 550 LEU N N 550 127.359 127.359 125.700 1.659 19214 5250 1 7 . 1 1 550 550 LEU HA H 550 4.881 4.881 4.585 0.296 19214 5251 1 7 . 1 1 550 550 LEU C C 550 174.669 174.669 176.048 -1.379 19214 5252 1 7 . 1 1 550 550 LEU CA C 550 54.216 54.216 54.816 -0.600 19214 5253 1 7 . 1 1 550 550 LEU CB C 550 42.954 42.954 42.223 0.731 19214 5254 1 7 . 1 1 550 550 LEU H H 550 9.068 9.068 8.102 0.966 19214 5255 1 7 . 1 1 551 551 ILE N N 551 126.177 126.177 123.617 2.560 19214 5256 1 7 . 1 1 551 551 ILE HA H 551 5.234 5.234 5.191 0.043 19214 5257 1 7 . 1 1 551 551 ILE C C 551 173.709 173.709 174.262 -0.553 19214 5258 1 7 . 1 1 551 551 ILE CA C 551 59.720 59.720 59.356 0.364 19214 5259 1 7 . 1 1 551 551 ILE CB C 551 42.210 42.210 41.447 0.763 19214 5260 1 7 . 1 1 551 551 ILE H H 551 8.584 8.584 7.875 0.709 19214 5261 1 7 . 1 1 552 552 ALA N N 552 129.345 129.345 128.229 1.116 19214 5262 1 7 . 1 1 552 552 ALA HA H 552 5.194 5.194 4.705 0.489 19214 5263 1 7 . 1 1 552 552 ALA C C 552 175.549 175.549 175.416 0.133 19214 5264 1 7 . 1 1 552 552 ALA CA C 552 49.380 49.380 50.385 -1.005 19214 5265 1 7 . 1 1 552 552 ALA CB C 552 23.712 23.712 21.145 2.567 19214 5266 1 7 . 1 1 552 552 ALA H H 552 9.709 9.709 8.078 1.631 19214 5267 1 7 . 1 1 553 553 HIS N N 553 115.303 115.303 122.308 -7.005 19214 5268 1 7 . 1 1 553 553 HIS HA H 553 6.162 6.162 5.202 0.960 19214 5269 1 7 . 1 1 553 553 HIS C C 553 177.121 177.121 174.594 2.527 19214 5270 1 7 . 1 1 553 553 HIS CA C 553 51.965 51.965 54.537 -2.572 19214 5271 1 7 . 1 1 553 553 HIS CB C 553 36.593 36.593 31.872 4.721 19214 5272 1 7 . 1 1 553 553 HIS H H 553 9.151 9.151 8.292 0.859 19214 5273 1 7 . 1 1 554 554 GLN N N 554 124.107 124.107 124.512 -0.405 19214 5274 1 7 . 1 1 554 554 GLN HA H 554 4.540 4.540 4.357 0.183 19214 5275 1 7 . 1 1 554 554 GLN C C 554 174.320 174.320 175.366 -1.046 19214 5276 1 7 . 1 1 554 554 GLN CA C 554 55.976 55.976 54.858 1.118 19214 5277 1 7 . 1 1 554 554 GLN CB C 554 30.828 30.828 29.120 1.708 19214 5278 1 7 . 1 1 554 554 GLN H H 554 8.647 8.647 8.944 -0.297 19214 5279 1 7 . 1 1 555 555 ALA N N 555 136.582 136.582 129.842 6.740 19214 5280 1 7 . 1 1 555 555 ALA HA H 555 4.617 4.617 4.406 0.211 19214 5281 1 7 . 1 1 555 555 ALA C C 555 177.422 177.422 177.030 0.392 19214 5282 1 7 . 1 1 555 555 ALA CA C 555 52.406 52.406 52.667 -0.261 19214 5283 1 7 . 1 1 555 555 ALA CB C 555 19.553 19.553 18.000 1.553 19214 5284 1 7 . 1 1 555 555 ALA H H 555 11.550 11.550 8.445 3.105 19214 5285 1 7 . 1 1 556 556 SER N N 556 111.945 111.945 112.588 -0.643 19214 5286 1 7 . 1 1 556 556 SER HA H 556 4.044 4.044 4.498 -0.454 19214 5287 1 7 . 1 1 556 556 SER C C 556 174.912 174.912 174.015 0.897 19214 5288 1 7 . 1 1 556 556 SER CA C 556 61.145 61.145 59.368 1.777 19214 5289 1 7 . 1 1 556 556 SER CB C 556 62.905 62.905 64.079 -1.175 19214 5290 1 7 . 1 1 556 556 SER H H 556 8.083 8.083 7.849 0.234 19214 5291 1 7 . 1 1 557 557 GLU N N 557 117.238 117.238 118.482 -1.244 19214 5292 1 7 . 1 1 557 557 GLU CA C 557 53.900 53.900 54.226 -0.326 19214 5293 1 7 . 1 1 557 557 GLU CB C 557 30.171 30.171 29.226 0.945 19214 5294 1 7 . 1 1 557 557 GLU H H 557 7.318 7.318 7.636 -0.318 19214 5295 1 7 . 1 1 558 558 PRO HA H 558 4.194 4.194 4.415 -0.221 19214 5296 1 7 . 1 1 558 558 PRO C C 558 174.855 174.855 175.786 -0.931 19214 5297 1 7 . 1 1 558 558 PRO CA C 558 62.915 62.915 63.023 -0.108 19214 5298 1 7 . 1 1 558 558 PRO CB C 558 32.862 32.862 32.255 0.607 19214 5299 1 7 . 1 1 559 559 ARG N N 559 121.957 121.957 122.148 -0.191 19214 5300 1 7 . 1 1 559 559 ARG HA H 559 3.945 3.945 4.346 -0.401 19214 5301 1 7 . 1 1 559 559 ARG C C 559 171.134 171.134 174.662 -3.528 19214 5302 1 7 . 1 1 559 559 ARG CA C 559 55.538 55.538 54.060 1.478 19214 5303 1 7 . 1 1 559 559 ARG CB C 559 33.169 33.169 31.475 1.694 19214 5304 1 7 . 1 1 559 559 ARG H H 559 7.836 7.836 7.953 -0.117 19214 5305 1 7 . 1 1 560 560 GLN N N 560 126.067 126.067 122.871 3.196 19214 5306 1 7 . 1 1 560 560 GLN HA H 560 4.372 4.372 3.664 0.708 19214 5307 1 7 . 1 1 560 560 GLN C C 560 175.848 175.848 175.062 0.786 19214 5308 1 7 . 1 1 560 560 GLN CA C 560 53.622 53.622 54.542 -0.920 19214 5309 1 7 . 1 1 560 560 GLN CB C 560 27.811 27.811 28.608 -0.797 19214 5310 1 7 . 1 1 560 560 GLN H H 560 8.332 8.332 8.241 0.091 19214 5311 1 7 . 1 1 561 561 TRP N N 561 133.373 133.373 127.277 6.096 19214 5312 1 7 . 1 1 561 561 TRP HA H 561 4.522 4.522 4.438 0.084 19214 5313 1 7 . 1 1 561 561 TRP C C 561 176.141 176.141 175.685 0.456 19214 5314 1 7 . 1 1 561 561 TRP CA C 561 56.337 56.337 56.825 -0.488 19214 5315 1 7 . 1 1 561 561 TRP CB C 561 28.840 28.840 29.629 -0.789 19214 5316 1 7 . 1 1 561 561 TRP H H 561 7.982 7.982 7.209 0.773 19214 5317 1 7 . 1 1 562 562 GLN N N 562 124.678 124.678 121.721 2.957 19214 5318 1 7 . 1 1 562 562 GLN HA H 562 4.454 4.454 4.452 0.002 19214 5319 1 7 . 1 1 562 562 GLN C C 562 177.088 177.088 177.284 -0.196 19214 5320 1 7 . 1 1 562 562 GLN CA C 562 54.676 54.676 55.462 -0.787 19214 5321 1 7 . 1 1 562 562 GLN CB C 562 30.526 30.526 29.606 0.920 19214 5322 1 7 . 1 1 562 562 GLN H H 562 9.763 9.763 8.504 1.259 19214 5323 1 7 . 1 1 563 563 GLU N N 563 124.545 124.545 125.139 -0.594 19214 5324 1 7 . 1 1 563 563 GLU HA H 563 3.907 3.907 3.980 -0.073 19214 5325 1 7 . 1 1 563 563 GLU C C 563 178.742 178.742 178.224 0.518 19214 5326 1 7 . 1 1 563 563 GLU CA C 563 61.275 61.275 60.338 0.937 19214 5327 1 7 . 1 1 563 563 GLU CB C 563 29.149 29.149 29.317 -0.168 19214 5328 1 7 . 1 1 563 563 GLU H H 563 9.210 9.210 9.030 0.180 19214 5329 1 7 . 1 1 564 564 ILE N N 564 115.275 115.275 119.239 -3.964 19214 5330 1 7 . 1 1 564 564 ILE HA H 564 4.208 4.208 4.039 0.169 19214 5331 1 7 . 1 1 564 564 ILE C C 564 177.462 177.462 177.997 -0.535 19214 5332 1 7 . 1 1 564 564 ILE CA C 564 63.380 63.380 63.646 -0.266 19214 5333 1 7 . 1 1 564 564 ILE CB C 564 37.828 37.828 36.376 1.452 19214 5334 1 7 . 1 1 564 564 ILE H H 564 8.496 8.496 8.144 0.352 19214 5335 1 7 . 1 1 565 565 GLU N N 565 121.174 121.174 120.259 0.915 19214 5336 1 7 . 1 1 565 565 GLU HA H 565 4.009 4.009 4.163 -0.154 19214 5337 1 7 . 1 1 565 565 GLU C C 565 178.217 178.217 179.717 -1.500 19214 5338 1 7 . 1 1 565 565 GLU CA C 565 58.713 58.713 59.582 -0.869 19214 5339 1 7 . 1 1 565 565 GLU CB C 565 29.685 29.685 29.256 0.429 19214 5340 1 7 . 1 1 565 565 GLU H H 565 6.668 6.668 8.428 -1.760 19214 5341 1 7 . 1 1 566 566 ILE N N 566 119.747 119.747 121.046 -1.299 19214 5342 1 7 . 1 1 566 566 ILE HA H 566 3.387 3.387 3.750 -0.363 19214 5343 1 7 . 1 1 566 566 ILE C C 566 178.911 178.911 177.926 0.985 19214 5344 1 7 . 1 1 566 566 ILE CA C 566 66.484 66.484 65.887 0.597 19214 5345 1 7 . 1 1 566 566 ILE CB C 566 38.410 38.410 37.862 0.548 19214 5346 1 7 . 1 1 566 566 ILE H H 566 8.165 8.165 8.875 -0.710 19214 5347 1 7 . 1 1 567 567 ASP N N 567 120.827 120.827 120.346 0.481 19214 5348 1 7 . 1 1 567 567 ASP HA H 567 4.373 4.373 4.382 -0.009 19214 5349 1 7 . 1 1 567 567 ASP C C 567 179.462 179.462 179.003 0.459 19214 5350 1 7 . 1 1 567 567 ASP CA C 567 57.949 57.949 57.041 0.908 19214 5351 1 7 . 1 1 567 567 ASP CB C 567 40.516 40.516 40.742 -0.226 19214 5352 1 7 . 1 1 567 567 ASP H H 567 8.574 8.574 7.823 0.751 19214 5353 1 7 . 1 1 568 568 GLN N N 568 118.625 118.625 118.875 -0.250 19214 5354 1 7 . 1 1 568 568 GLN HA H 568 4.140 4.140 4.245 -0.105 19214 5355 1 7 . 1 1 568 568 GLN C C 568 179.204 179.204 178.672 0.532 19214 5356 1 7 . 1 1 568 568 GLN CA C 568 59.294 59.294 58.501 0.793 19214 5357 1 7 . 1 1 568 568 GLN CB C 568 29.558 29.558 28.984 0.574 19214 5358 1 7 . 1 1 568 568 GLN H H 568 8.321 8.321 8.036 0.285 19214 5359 1 7 . 1 1 569 569 PHE N N 569 124.764 124.764 120.864 3.900 19214 5360 1 7 . 1 1 569 569 PHE HA H 569 4.310 4.310 4.205 0.104 19214 5361 1 7 . 1 1 569 569 PHE C C 569 177.387 177.387 176.819 0.568 19214 5362 1 7 . 1 1 569 569 PHE CA C 569 61.106 61.106 60.300 0.806 19214 5363 1 7 . 1 1 569 569 PHE CB C 569 40.452 40.452 39.135 1.317 19214 5364 1 7 . 1 1 569 569 PHE H H 569 8.999 8.999 8.388 0.611 19214 5365 1 7 . 1 1 570 570 SER N N 570 113.882 113.882 114.220 -0.338 19214 5366 1 7 . 1 1 570 570 SER HA H 570 4.145 4.145 3.865 0.280 19214 5367 1 7 . 1 1 570 570 SER C C 570 177.181 177.181 176.461 0.720 19214 5368 1 7 . 1 1 570 570 SER CA C 570 61.933 61.933 61.552 0.381 19214 5369 1 7 . 1 1 570 570 SER CB C 570 63.049 63.049 63.026 0.023 19214 5370 1 7 . 1 1 570 570 SER H H 570 8.979 8.979 8.558 0.421 19214 5371 1 7 . 1 1 571 571 GLU N N 571 123.710 123.710 122.768 0.942 19214 5372 1 7 . 1 1 571 571 GLU HA H 571 4.146 4.146 4.031 0.115 19214 5373 1 7 . 1 1 571 571 GLU C C 571 179.006 179.006 178.287 0.719 19214 5374 1 7 . 1 1 571 571 GLU CA C 571 59.437 59.437 58.735 0.702 19214 5375 1 7 . 1 1 571 571 GLU CB C 571 29.269 29.269 29.279 -0.010 19214 5376 1 7 . 1 1 571 571 GLU H H 571 8.282 8.282 7.860 0.422 19214 5377 1 7 . 1 1 572 572 LEU N N 572 123.115 123.115 121.575 1.540 19214 5378 1 7 . 1 1 572 572 LEU HA H 572 4.030 4.030 3.996 0.034 19214 5379 1 7 . 1 1 572 572 LEU C C 572 178.204 178.204 178.369 -0.165 19214 5380 1 7 . 1 1 572 572 LEU CA C 572 58.186 58.186 57.745 0.441 19214 5381 1 7 . 1 1 572 572 LEU CB C 572 41.303 41.303 41.531 -0.228 19214 5382 1 7 . 1 1 572 572 LEU H H 572 7.722 7.722 7.221 0.501 19214 5383 1 7 . 1 1 573 573 ALA N N 573 120.384 120.384 119.795 0.589 19214 5384 1 7 . 1 1 573 573 ALA HA H 573 3.703 3.703 3.853 -0.150 19214 5385 1 7 . 1 1 573 573 ALA C C 573 180.276 180.276 179.566 0.710 19214 5386 1 7 . 1 1 573 573 ALA CA C 573 55.577 55.577 55.072 0.505 19214 5387 1 7 . 1 1 573 573 ALA CB C 573 19.090 19.090 18.195 0.895 19214 5388 1 7 . 1 1 573 573 ALA H H 573 7.701 7.701 7.292 0.409 19214 5389 1 7 . 1 1 574 574 SER N N 574 116.150 116.150 113.518 2.632 19214 5390 1 7 . 1 1 574 574 SER HA H 574 4.373 4.373 4.127 0.246 19214 5391 1 7 . 1 1 574 574 SER C C 574 177.259 177.259 177.007 0.252 19214 5392 1 7 . 1 1 574 574 SER CA C 574 61.851 61.851 61.615 0.236 19214 5393 1 7 . 1 1 574 574 SER CB C 574 62.460 62.460 62.468 -0.008 19214 5394 1 7 . 1 1 574 574 SER H H 574 8.679 8.679 8.078 0.602 19214 5395 1 7 . 1 1 575 575 THR N N 575 120.316 120.316 120.089 0.227 19214 5396 1 7 . 1 1 575 575 THR HA H 575 3.985 3.985 3.970 0.015 19214 5397 1 7 . 1 1 575 575 THR C C 575 177.023 177.023 177.063 -0.040 19214 5398 1 7 . 1 1 575 575 THR CA C 575 66.859 66.859 66.863 -0.004 19214 5399 1 7 . 1 1 575 575 THR CB C 575 68.370 68.370 68.183 0.187 19214 5400 1 7 . 1 1 575 575 THR H H 575 8.685 8.685 8.171 0.514 19214 5401 1 7 . 1 1 576 576 GLY N N 576 107.996 107.996 109.769 -1.773 19214 5402 1 7 . 1 1 576 576 GLY C C 576 174.096 174.096 175.550 -1.454 19214 5403 1 7 . 1 1 576 576 GLY CA C 576 47.730 47.730 47.114 0.616 19214 5404 1 7 . 1 1 576 576 GLY H H 576 8.565 8.565 7.772 0.793 19214 5405 1 7 . 1 1 577 577 SER N N 577 118.026 118.026 117.499 0.527 19214 5406 1 7 . 1 1 577 577 SER HA H 577 3.840 3.840 3.981 -0.141 19214 5407 1 7 . 1 1 577 577 SER CA C 577 63.146 63.146 61.439 1.707 19214 5408 1 7 . 1 1 577 577 SER H H 577 8.425 8.425 7.560 0.865 19214 5409 1 7 . 1 1 578 578 LEU HA H 578 3.700 3.700 4.079 -0.379 19214 5410 1 7 . 1 1 578 578 LEU C C 578 179.316 179.316 179.059 0.257 19214 5411 1 7 . 1 1 578 578 LEU CA C 578 57.995 57.995 57.386 0.609 19214 5412 1 7 . 1 1 578 578 LEU CB C 578 41.739 41.739 41.670 0.069 19214 5413 1 7 . 1 1 579 579 VAL N N 579 122.330 122.330 118.778 3.552 19214 5414 1 7 . 1 1 579 579 VAL CB C 579 31.123 31.123 32.122 -0.999 19214 5415 1 7 . 1 1 579 579 VAL H H 579 8.773 8.773 7.238 1.535 19214 5416 1 7 . 1 1 584 584 HIS HA H 584 4.332 4.332 4.244 0.088 19214 5417 1 7 . 1 1 584 584 HIS C C 584 177.320 177.320 177.451 -0.131 19214 5418 1 7 . 1 1 584 584 HIS CA C 584 59.034 59.034 59.932 -0.898 19214 5419 1 7 . 1 1 584 584 HIS CB C 584 29.981 29.981 29.703 0.278 19214 5420 1 7 . 1 1 585 585 PHE N N 585 118.557 118.557 119.282 -0.725 19214 5421 1 7 . 1 1 585 585 PHE HA H 585 4.316 4.316 4.197 0.119 19214 5422 1 7 . 1 1 585 585 PHE C C 585 178.195 178.195 176.889 1.306 19214 5423 1 7 . 1 1 585 585 PHE CA C 585 60.326 60.326 61.103 -0.777 19214 5424 1 7 . 1 1 585 585 PHE CB C 585 38.773 38.773 39.162 -0.389 19214 5425 1 7 . 1 1 585 585 PHE H H 585 8.065 8.065 8.012 0.053 19214 5426 1 7 . 1 1 586 586 LEU N N 586 121.964 121.964 122.486 -0.522 19214 5427 1 7 . 1 1 586 586 LEU HA H 586 4.060 4.060 3.874 0.186 19214 5428 1 7 . 1 1 586 586 LEU C C 586 178.863 178.863 178.527 0.336 19214 5429 1 7 . 1 1 586 586 LEU CA C 586 57.423 57.423 57.897 -0.473 19214 5430 1 7 . 1 1 586 586 LEU CB C 586 42.042 42.042 41.630 0.412 19214 5431 1 7 . 1 1 586 586 LEU H H 586 8.153 8.153 8.221 -0.068 19214 5432 1 7 . 1 1 587 587 GLU N N 587 119.163 119.163 117.002 2.161 19214 5433 1 7 . 1 1 587 587 GLU HA H 587 4.016 4.016 3.762 0.254 19214 5434 1 7 . 1 1 587 587 GLU C C 587 178.330 178.330 178.933 -0.603 19214 5435 1 7 . 1 1 587 587 GLU CA C 587 58.475 58.475 59.301 -0.826 19214 5436 1 7 . 1 1 587 587 GLU CB C 587 29.825 29.825 29.109 0.716 19214 5437 1 7 . 1 1 587 587 GLU H H 587 8.234 8.234 8.388 -0.154 19214 5438 1 7 . 1 1 588 588 GLN N N 588 118.390 118.390 118.211 0.179 19214 5439 1 7 . 1 1 588 588 GLN HA H 588 4.136 4.136 3.942 0.194 19214 5440 1 7 . 1 1 588 588 GLN C C 588 177.452 177.452 178.243 -0.791 19214 5441 1 7 . 1 1 588 588 GLN CA C 588 57.188 57.188 58.584 -1.396 19214 5442 1 7 . 1 1 588 588 GLN CB C 588 28.932 28.932 28.185 0.747 19214 5443 1 7 . 1 1 588 588 GLN H H 588 8.003 8.003 7.270 0.733 19214 5444 1 7 . 1 1 589 589 THR N N 589 115.070 115.070 114.191 0.879 19214 5445 1 7 . 1 1 589 589 THR HA H 589 4.136 4.136 3.793 0.343 19214 5446 1 7 . 1 1 589 589 THR C C 589 175.620 175.620 176.637 -1.017 19214 5447 1 7 . 1 1 589 589 THR CA C 589 63.840 63.840 65.683 -1.843 19214 5448 1 7 . 1 1 589 589 THR CB C 589 69.380 69.380 67.928 1.452 19214 5449 1 7 . 1 1 589 589 THR H H 589 7.957 7.957 7.948 0.009 19214 5450 1 7 . 1 1 590 590 ILE N N 590 122.655 122.655 121.826 0.829 19214 5451 1 7 . 1 1 590 590 ILE HA H 590 3.926 3.926 3.789 0.137 19214 5452 1 7 . 1 1 590 590 ILE C C 590 176.914 176.914 177.847 -0.933 19214 5453 1 7 . 1 1 590 590 ILE CA C 590 62.663 62.663 63.983 -1.319 19214 5454 1 7 . 1 1 590 590 ILE CB C 590 38.222 38.222 37.476 0.746 19214 5455 1 7 . 1 1 590 590 ILE H H 590 7.985 7.985 7.709 0.276 19214 5456 1 7 . 1 1 591 591 ALA N N 591 125.105 125.105 122.759 2.346 19214 5457 1 7 . 1 1 591 591 ALA HA H 591 4.181 4.181 4.002 0.179 19214 5458 1 7 . 1 1 591 591 ALA C C 591 178.466 178.466 179.052 -0.586 19214 5459 1 7 . 1 1 591 591 ALA CA C 591 53.502 53.502 54.486 -0.984 19214 5460 1 7 . 1 1 591 591 ALA CB C 591 18.788 18.788 18.741 0.047 19214 5461 1 7 . 1 1 591 591 ALA H H 591 8.086 8.086 7.573 0.513 19214 5462 1 7 . 1 1 592 592 SER N N 592 113.591 113.591 113.509 0.082 19214 5463 1 7 . 1 1 592 592 SER HA H 592 4.298 4.298 4.260 0.038 19214 5464 1 7 . 1 1 592 592 SER C C 592 174.886 174.886 175.309 -0.423 19214 5465 1 7 . 1 1 592 592 SER CA C 592 58.939 58.939 60.247 -1.308 19214 5466 1 7 . 1 1 592 592 SER CB C 592 63.738 63.738 63.693 0.045 19214 5467 1 7 . 1 1 592 592 SER H H 592 7.957 7.957 7.745 0.212 19214 5468 1 8 . 1 1 431 431 ALA HA H 431 4.315 4.315 4.558 -0.243 19214 5469 1 8 . 1 1 431 431 ALA C C 431 177.643 177.643 177.989 -0.346 19214 5470 1 8 . 1 1 431 431 ALA CA C 431 52.380 52.380 51.739 0.641 19214 5471 1 8 . 1 1 431 431 ALA CB C 431 19.190 19.190 17.472 1.718 19214 5472 1 8 . 1 1 432 432 VAL N N 432 120.312 120.312 121.890 -1.578 19214 5473 1 8 . 1 1 432 432 VAL HA H 432 4.019 4.019 3.599 0.420 19214 5474 1 8 . 1 1 432 432 VAL C C 432 175.763 175.763 176.811 -1.048 19214 5475 1 8 . 1 1 432 432 VAL CA C 432 62.234 62.234 64.979 -2.745 19214 5476 1 8 . 1 1 432 432 VAL CB C 432 33.009 33.009 32.301 0.708 19214 5477 1 8 . 1 1 432 432 VAL H H 432 8.178 8.178 8.045 0.133 19214 5478 1 8 . 1 1 433 433 GLN N N 433 124.379 124.379 117.666 6.713 19214 5479 1 8 . 1 1 433 433 GLN CB C 433 29.519 29.519 28.243 1.276 19214 5480 1 8 . 1 1 433 433 GLN H H 433 8.502 8.502 8.474 0.028 19214 5481 1 8 . 1 1 435 435 SER HA H 435 4.069 4.069 4.163 -0.094 19214 5482 1 8 . 1 1 435 435 SER C C 435 178.994 178.994 175.500 3.494 19214 5483 1 8 . 1 1 435 435 SER CA C 435 60.511 60.511 61.513 -1.002 19214 5484 1 8 . 1 1 435 435 SER CB C 435 62.860 62.860 62.954 -0.094 19214 5485 1 8 . 1 1 436 436 GLU N N 436 119.753 119.753 119.417 0.336 19214 5486 1 8 . 1 1 436 436 GLU HA H 436 4.293 4.293 4.186 0.107 19214 5487 1 8 . 1 1 436 436 GLU C C 436 176.644 176.644 176.258 0.386 19214 5488 1 8 . 1 1 436 436 GLU CA C 436 56.016 56.016 57.339 -1.323 19214 5489 1 8 . 1 1 436 436 GLU CB C 436 30.335 30.335 29.588 0.747 19214 5490 1 8 . 1 1 436 436 GLU H H 436 7.805 7.805 7.620 0.185 19214 5491 1 8 . 1 1 437 437 LEU N N 437 120.618 120.618 120.627 -0.009 19214 5492 1 8 . 1 1 437 437 LEU HA H 437 4.150 4.150 4.434 -0.284 19214 5493 1 8 . 1 1 437 437 LEU CA C 437 55.497 55.497 54.693 0.804 19214 5494 1 8 . 1 1 437 437 LEU CB C 437 43.460 43.460 41.595 1.865 19214 5495 1 8 . 1 1 437 437 LEU H H 437 7.352 7.352 7.510 -0.158 19214 5496 1 8 . 1 1 440 440 ARG HA H 440 3.240 3.240 3.935 -0.695 19214 5497 1 8 . 1 1 440 440 ARG C C 440 175.895 175.895 178.315 -2.420 19214 5498 1 8 . 1 1 440 440 ARG CA C 440 60.040 60.040 59.624 0.416 19214 5499 1 8 . 1 1 440 440 ARG CB C 440 30.218 30.218 30.345 -0.127 19214 5500 1 8 . 1 1 441 441 GLN N N 441 117.761 117.761 117.590 0.171 19214 5501 1 8 . 1 1 441 441 GLN HA H 441 3.894 3.894 4.309 -0.415 19214 5502 1 8 . 1 1 441 441 GLN C C 441 177.959 177.959 178.253 -0.294 19214 5503 1 8 . 1 1 441 441 GLN CA C 441 58.904 58.904 58.743 0.161 19214 5504 1 8 . 1 1 441 441 GLN CB C 441 27.387 27.387 28.269 -0.882 19214 5505 1 8 . 1 1 441 441 GLN H H 441 8.075 8.075 8.566 -0.491 19214 5506 1 8 . 1 1 442 442 ALA N N 442 120.325 120.325 123.790 -3.465 19214 5507 1 8 . 1 1 442 442 ALA HA H 442 4.142 4.142 4.056 0.086 19214 5508 1 8 . 1 1 442 442 ALA C C 442 181.535 181.535 179.650 1.885 19214 5509 1 8 . 1 1 442 442 ALA CA C 442 54.843 54.843 55.450 -0.607 19214 5510 1 8 . 1 1 442 442 ALA CB C 442 18.746 18.746 18.052 0.694 19214 5511 1 8 . 1 1 442 442 ALA H H 442 7.859 7.859 9.136 -1.277 19214 5512 1 8 . 1 1 443 443 ILE N N 443 120.878 120.878 114.565 6.313 19214 5513 1 8 . 1 1 443 443 ILE HA H 443 3.412 3.412 3.650 -0.238 19214 5514 1 8 . 1 1 443 443 ILE C C 443 177.554 177.554 177.490 0.064 19214 5515 1 8 . 1 1 443 443 ILE CA C 443 65.839 65.839 64.390 1.449 19214 5516 1 8 . 1 1 443 443 ILE CB C 443 37.236 37.236 37.131 0.105 19214 5517 1 8 . 1 1 443 443 ILE H H 443 7.668 7.668 7.384 0.284 19214 5518 1 8 . 1 1 444 444 PHE N N 444 119.157 119.157 120.460 -1.303 19214 5519 1 8 . 1 1 444 444 PHE HA H 444 4.364 4.364 4.194 0.170 19214 5520 1 8 . 1 1 444 444 PHE C C 444 178.054 178.054 177.877 0.177 19214 5521 1 8 . 1 1 444 444 PHE CA C 444 58.952 58.952 61.453 -2.501 19214 5522 1 8 . 1 1 444 444 PHE CB C 444 37.948 37.948 38.840 -0.892 19214 5523 1 8 . 1 1 444 444 PHE H H 444 8.128 8.128 7.310 0.818 19214 5524 1 8 . 1 1 445 445 GLU N N 445 116.382 116.382 118.681 -2.299 19214 5525 1 8 . 1 1 445 445 GLU HA H 445 3.985 3.985 4.105 -0.120 19214 5526 1 8 . 1 1 445 445 GLU C C 445 179.563 179.563 179.642 -0.079 19214 5527 1 8 . 1 1 445 445 GLU CA C 445 59.156 59.156 59.604 -0.448 19214 5528 1 8 . 1 1 445 445 GLU CB C 445 29.177 29.177 29.106 0.071 19214 5529 1 8 . 1 1 445 445 GLU H H 445 8.711 8.711 9.016 -0.305 19214 5530 1 8 . 1 1 446 446 THR N N 446 118.118 118.118 117.075 1.043 19214 5531 1 8 . 1 1 446 446 THR HA H 446 4.066 4.066 4.064 0.002 19214 5532 1 8 . 1 1 446 446 THR C C 446 175.861 175.861 176.444 -0.583 19214 5533 1 8 . 1 1 446 446 THR CA C 446 67.041 67.041 66.394 0.647 19214 5534 1 8 . 1 1 446 446 THR CB C 446 68.218 68.218 68.788 -0.570 19214 5535 1 8 . 1 1 446 446 THR H H 446 8.105 8.105 7.834 0.271 19214 5536 1 8 . 1 1 447 447 LEU N N 447 121.874 121.874 121.876 -0.002 19214 5537 1 8 . 1 1 447 447 LEU HA H 447 3.852 3.852 3.867 -0.015 19214 5538 1 8 . 1 1 447 447 LEU C C 447 179.512 179.512 178.589 0.923 19214 5539 1 8 . 1 1 447 447 LEU CA C 447 58.956 58.956 58.214 0.743 19214 5540 1 8 . 1 1 447 447 LEU CB C 447 42.493 42.493 41.312 1.181 19214 5541 1 8 . 1 1 447 447 LEU H H 447 8.552 8.552 7.496 1.056 19214 5542 1 8 . 1 1 448 448 VAL N N 448 108.313 108.313 117.558 -9.245 19214 5543 1 8 . 1 1 448 448 VAL HA H 448 4.039 4.039 3.703 0.336 19214 5544 1 8 . 1 1 448 448 VAL C C 448 177.323 177.323 177.158 0.165 19214 5545 1 8 . 1 1 448 448 VAL CA C 448 64.562 64.562 66.100 -1.538 19214 5546 1 8 . 1 1 448 448 VAL CB C 448 30.055 30.055 31.695 -1.640 19214 5547 1 8 . 1 1 448 448 VAL H H 448 7.695 7.695 7.656 0.039 19214 5548 1 8 . 1 1 449 449 ALA N N 449 124.683 124.683 123.015 1.668 19214 5549 1 8 . 1 1 449 449 ALA HA H 449 4.246 4.246 4.029 0.217 19214 5550 1 8 . 1 1 449 449 ALA C C 449 181.275 181.275 179.608 1.667 19214 5551 1 8 . 1 1 449 449 ALA CA C 449 55.054 55.054 55.267 -0.213 19214 5552 1 8 . 1 1 449 449 ALA CB C 449 18.528 18.528 18.120 0.408 19214 5553 1 8 . 1 1 449 449 ALA H H 449 7.421 7.421 7.984 -0.563 19214 5554 1 8 . 1 1 450 450 LYS N N 450 118.092 118.092 118.990 -0.898 19214 5555 1 8 . 1 1 450 450 LYS HA H 450 4.170 4.170 4.127 0.043 19214 5556 1 8 . 1 1 450 450 LYS C C 450 180.083 180.083 179.536 0.547 19214 5557 1 8 . 1 1 450 450 LYS CA C 450 58.219 58.219 59.273 -1.054 19214 5558 1 8 . 1 1 450 450 LYS CB C 450 31.697 31.697 32.575 -0.878 19214 5559 1 8 . 1 1 450 450 LYS H H 450 8.806 8.806 8.304 0.502 19214 5560 1 8 . 1 1 451 451 GLY N N 451 108.217 108.217 108.030 0.187 19214 5561 1 8 . 1 1 451 451 GLY C C 451 173.724 173.724 175.989 -2.265 19214 5562 1 8 . 1 1 451 451 GLY CA C 451 47.965 47.965 47.456 0.509 19214 5563 1 8 . 1 1 451 451 GLY H H 451 8.816 8.816 8.813 0.003 19214 5564 1 8 . 1 1 452 452 ARG N N 452 122.310 122.310 121.113 1.197 19214 5565 1 8 . 1 1 452 452 ARG HA H 452 4.100 4.100 3.961 0.139 19214 5566 1 8 . 1 1 452 452 ARG C C 452 178.908 178.908 177.788 1.120 19214 5567 1 8 . 1 1 452 452 ARG CA C 452 60.504 60.504 59.983 0.520 19214 5568 1 8 . 1 1 452 452 ARG CB C 452 30.208 30.208 30.340 -0.132 19214 5569 1 8 . 1 1 452 452 ARG H H 452 8.190 8.190 8.317 -0.127 19214 5570 1 8 . 1 1 453 453 GLU N N 453 119.749 119.749 118.470 1.279 19214 5571 1 8 . 1 1 453 453 GLU HA H 453 4.076 4.076 4.166 -0.090 19214 5572 1 8 . 1 1 453 453 GLU C C 453 178.638 178.638 178.399 0.239 19214 5573 1 8 . 1 1 453 453 GLU CA C 453 58.999 58.999 58.646 0.353 19214 5574 1 8 . 1 1 453 453 GLU CB C 453 30.188 30.188 29.562 0.626 19214 5575 1 8 . 1 1 453 453 GLU H H 453 7.872 7.872 7.536 0.336 19214 5576 1 8 . 1 1 454 454 LEU N N 454 119.235 119.235 118.959 0.276 19214 5577 1 8 . 1 1 454 454 LEU HA H 454 4.157 4.157 4.113 0.044 19214 5578 1 8 . 1 1 454 454 LEU C C 454 178.446 178.446 178.675 -0.229 19214 5579 1 8 . 1 1 454 454 LEU CA C 454 57.868 57.868 57.783 0.085 19214 5580 1 8 . 1 1 454 454 LEU CB C 454 43.001 43.001 42.508 0.493 19214 5581 1 8 . 1 1 454 454 LEU H H 454 8.275 8.275 8.417 -0.142 19214 5582 1 8 . 1 1 455 455 LEU N N 455 112.983 112.983 114.935 -1.952 19214 5583 1 8 . 1 1 455 455 LEU HA H 455 4.406 4.406 4.427 -0.021 19214 5584 1 8 . 1 1 455 455 LEU C C 455 177.047 177.047 177.212 -0.165 19214 5585 1 8 . 1 1 455 455 LEU CA C 455 54.730 54.730 55.380 -0.650 19214 5586 1 8 . 1 1 455 455 LEU CB C 455 43.848 43.848 42.538 1.310 19214 5587 1 8 . 1 1 455 455 LEU H H 455 7.393 7.393 8.155 -0.762 19214 5588 1 8 . 1 1 456 456 ALA N N 456 124.090 124.090 119.026 5.064 19214 5589 1 8 . 1 1 456 456 ALA HA H 456 4.239 4.239 4.116 0.123 19214 5590 1 8 . 1 1 456 456 ALA C C 456 177.010 177.010 176.469 0.541 19214 5591 1 8 . 1 1 456 456 ALA CA C 456 52.955 52.955 52.510 0.445 19214 5592 1 8 . 1 1 456 456 ALA CB C 456 16.479 16.479 16.341 0.138 19214 5593 1 8 . 1 1 456 456 ALA H H 456 8.567 8.567 7.494 1.073 19214 5594 1 8 . 1 1 457 457 CYS N N 457 111.388 111.388 117.855 -6.467 19214 5595 1 8 . 1 1 457 457 CYS HA H 457 5.658 5.658 4.666 0.992 19214 5596 1 8 . 1 1 457 457 CYS C C 457 173.094 173.094 175.571 -2.477 19214 5597 1 8 . 1 1 457 457 CYS CA C 457 54.770 54.770 57.584 -2.814 19214 5598 1 8 . 1 1 457 457 CYS CB C 457 29.803 29.803 29.724 0.079 19214 5599 1 8 . 1 1 457 457 CYS H H 457 6.942 6.942 7.792 -0.850 19214 5600 1 8 . 1 1 458 458 ASP N N 458 117.058 117.058 124.746 -7.688 19214 5601 1 8 . 1 1 458 458 ASP HA H 458 4.808 4.808 4.424 0.384 19214 5602 1 8 . 1 1 458 458 ASP C C 458 175.313 175.313 175.393 -0.080 19214 5603 1 8 . 1 1 458 458 ASP CA C 458 57.780 57.780 56.568 1.212 19214 5604 1 8 . 1 1 458 458 ASP CB C 458 42.699 42.699 41.212 1.487 19214 5605 1 8 . 1 1 458 458 ASP H H 458 7.157 7.157 8.870 -1.713 19214 5606 1 8 . 1 1 459 459 ARG N N 459 117.570 117.570 114.670 2.900 19214 5607 1 8 . 1 1 459 459 ARG HA H 459 5.396 5.396 4.624 0.772 19214 5608 1 8 . 1 1 459 459 ARG C C 459 174.465 174.465 173.798 0.667 19214 5609 1 8 . 1 1 459 459 ARG CA C 459 55.628 55.628 55.237 0.391 19214 5610 1 8 . 1 1 459 459 ARG CB C 459 35.127 35.127 34.580 0.547 19214 5611 1 8 . 1 1 459 459 ARG H H 459 7.946 7.946 7.538 0.408 19214 5612 1 8 . 1 1 460 460 VAL N N 460 126.878 126.878 120.886 5.992 19214 5613 1 8 . 1 1 460 460 VAL HA H 460 5.410 5.410 4.489 0.921 19214 5614 1 8 . 1 1 460 460 VAL C C 460 174.698 174.698 173.034 1.664 19214 5615 1 8 . 1 1 460 460 VAL CA C 460 61.229 61.229 60.556 0.673 19214 5616 1 8 . 1 1 460 460 VAL CB C 460 35.335 35.335 35.889 -0.554 19214 5617 1 8 . 1 1 460 460 VAL H H 460 9.200 9.200 8.210 0.990 19214 5618 1 8 . 1 1 461 461 ILE N N 461 120.070 120.070 121.797 -1.727 19214 5619 1 8 . 1 1 461 461 ILE HA H 461 5.198 5.198 4.836 0.362 19214 5620 1 8 . 1 1 461 461 ILE C C 461 174.647 174.647 173.460 1.187 19214 5621 1 8 . 1 1 461 461 ILE CA C 461 59.112 59.112 59.691 -0.579 19214 5622 1 8 . 1 1 461 461 ILE CB C 461 42.959 42.959 41.937 1.022 19214 5623 1 8 . 1 1 461 461 ILE H H 461 9.247 9.247 8.712 0.535 19214 5624 1 8 . 1 1 462 462 VAL N N 462 118.676 118.676 121.225 -2.549 19214 5625 1 8 . 1 1 462 462 VAL HA H 462 4.668 4.668 4.525 0.143 19214 5626 1 8 . 1 1 462 462 VAL C C 462 173.970 173.970 174.624 -0.654 19214 5627 1 8 . 1 1 462 462 VAL CA C 462 61.528 61.528 61.292 0.236 19214 5628 1 8 . 1 1 462 462 VAL CB C 462 33.865 33.865 34.205 -0.340 19214 5629 1 8 . 1 1 462 462 VAL H H 462 7.400 7.400 8.429 -1.029 19214 5630 1 8 . 1 1 463 463 TYR N N 463 131.551 131.551 127.277 4.274 19214 5631 1 8 . 1 1 463 463 TYR HA H 463 4.937 4.937 5.367 -0.430 19214 5632 1 8 . 1 1 463 463 TYR C C 463 173.196 173.196 172.662 0.534 19214 5633 1 8 . 1 1 463 463 TYR CA C 463 55.589 55.589 55.912 -0.323 19214 5634 1 8 . 1 1 463 463 TYR CB C 463 41.849 41.849 42.483 -0.634 19214 5635 1 8 . 1 1 463 463 TYR H H 463 8.782 8.782 8.089 0.693 19214 5636 1 8 . 1 1 464 464 ALA N N 464 127.436 127.436 124.416 3.020 19214 5637 1 8 . 1 1 464 464 ALA HA H 464 4.418 4.418 4.345 0.073 19214 5638 1 8 . 1 1 464 464 ALA C C 464 175.095 175.095 174.381 0.714 19214 5639 1 8 . 1 1 464 464 ALA CA C 464 50.422 50.422 49.393 1.029 19214 5640 1 8 . 1 1 464 464 ALA CB C 464 22.676 22.676 22.337 0.339 19214 5641 1 8 . 1 1 464 464 ALA H H 464 8.295 8.295 7.774 0.521 19214 5642 1 8 . 1 1 465 465 PHE N N 465 116.385 116.385 116.925 -0.540 19214 5643 1 8 . 1 1 465 465 PHE HA H 465 4.434 4.434 4.800 -0.366 19214 5644 1 8 . 1 1 465 465 PHE C C 465 176.189 176.189 174.618 1.571 19214 5645 1 8 . 1 1 465 465 PHE CA C 465 56.771 56.771 55.839 0.932 19214 5646 1 8 . 1 1 465 465 PHE CB C 465 42.082 42.082 38.488 3.594 19214 5647 1 8 . 1 1 465 465 PHE H H 465 7.426 7.426 7.880 -0.454 19214 5648 1 8 . 1 1 466 466 ASP N N 466 121.980 121.980 124.315 -2.335 19214 5649 1 8 . 1 1 466 466 ASP HA H 466 4.765 4.765 4.290 0.475 19214 5650 1 8 . 1 1 466 466 ASP C C 466 178.212 178.212 177.004 1.208 19214 5651 1 8 . 1 1 466 466 ASP CA C 466 52.007 52.007 53.144 -1.137 19214 5652 1 8 . 1 1 466 466 ASP CB C 466 41.201 41.201 42.178 -0.977 19214 5653 1 8 . 1 1 466 466 ASP H H 466 8.012 8.012 7.838 0.174 19214 5654 1 8 . 1 1 467 467 ASP N N 467 116.915 116.915 118.736 -1.821 19214 5655 1 8 . 1 1 467 467 ASP HA H 467 4.146 4.146 4.408 -0.262 19214 5656 1 8 . 1 1 467 467 ASP C C 467 176.189 176.189 175.218 0.971 19214 5657 1 8 . 1 1 467 467 ASP CA C 467 56.172 56.172 54.752 1.420 19214 5658 1 8 . 1 1 467 467 ASP CB C 467 40.189 40.189 40.386 -0.197 19214 5659 1 8 . 1 1 467 467 ASP H H 467 8.335 8.335 8.524 -0.189 19214 5660 1 8 . 1 1 468 468 ASN N N 468 116.918 116.918 117.087 -0.169 19214 5661 1 8 . 1 1 468 468 ASN HA H 468 4.689 4.689 4.781 -0.092 19214 5662 1 8 . 1 1 468 468 ASN C C 468 174.068 174.068 174.866 -0.798 19214 5663 1 8 . 1 1 468 468 ASN CA C 468 52.711 52.711 52.158 0.553 19214 5664 1 8 . 1 1 468 468 ASN CB C 468 39.418 39.418 38.189 1.229 19214 5665 1 8 . 1 1 468 468 ASN H H 468 8.237 8.237 7.800 0.437 19214 5666 1 8 . 1 1 469 469 TYR N N 469 113.180 113.180 115.540 -2.360 19214 5667 1 8 . 1 1 469 469 TYR HA H 469 3.614 3.614 4.022 -0.408 19214 5668 1 8 . 1 1 469 469 TYR C C 469 173.766 173.766 174.023 -0.257 19214 5669 1 8 . 1 1 469 469 TYR CA C 469 60.636 60.636 59.066 1.570 19214 5670 1 8 . 1 1 469 469 TYR CB C 469 34.697 34.697 36.228 -1.531 19214 5671 1 8 . 1 1 469 469 TYR H H 469 7.975 7.975 7.445 0.530 19214 5672 1 8 . 1 1 470 470 VAL N N 470 120.871 120.871 118.124 2.747 19214 5673 1 8 . 1 1 470 470 VAL HA H 470 4.100 4.100 4.292 -0.192 19214 5674 1 8 . 1 1 470 470 VAL CA C 470 63.555 63.555 61.141 2.414 19214 5675 1 8 . 1 1 470 470 VAL CB C 470 31.054 31.054 33.269 -2.215 19214 5676 1 8 . 1 1 470 470 VAL H H 470 8.354 8.354 7.505 0.849 19214 5677 1 8 . 1 1 474 474 VAL HA H 474 4.288 4.288 3.568 0.720 19214 5678 1 8 . 1 1 474 474 VAL C C 474 175.489 175.489 175.949 -0.460 19214 5679 1 8 . 1 1 474 474 VAL CA C 474 61.669 61.669 64.790 -3.120 19214 5680 1 8 . 1 1 474 474 VAL CB C 474 32.382 32.382 31.939 0.443 19214 5681 1 8 . 1 1 475 475 ALA N N 475 118.920 118.920 117.915 1.005 19214 5682 1 8 . 1 1 475 475 ALA HA H 475 4.552 4.552 4.607 -0.055 19214 5683 1 8 . 1 1 475 475 ALA C C 475 174.363 174.363 174.806 -0.443 19214 5684 1 8 . 1 1 475 475 ALA CA C 475 52.023 52.023 51.298 0.725 19214 5685 1 8 . 1 1 475 475 ALA CB C 475 23.339 23.339 21.897 1.442 19214 5686 1 8 . 1 1 475 475 ALA H H 475 7.321 7.321 7.308 0.013 19214 5687 1 8 . 1 1 476 476 GLU N N 476 121.933 121.933 122.328 -0.395 19214 5688 1 8 . 1 1 476 476 GLU HA H 476 5.128 5.128 4.748 0.380 19214 5689 1 8 . 1 1 476 476 GLU C C 476 173.921 173.921 175.159 -1.238 19214 5690 1 8 . 1 1 476 476 GLU CA C 476 55.372 55.372 55.667 -0.295 19214 5691 1 8 . 1 1 476 476 GLU CB C 476 35.144 35.144 33.168 1.976 19214 5692 1 8 . 1 1 476 476 GLU H H 476 8.969 8.969 8.852 0.117 19214 5693 1 8 . 1 1 477 477 SER N N 477 121.397 121.397 122.674 -1.277 19214 5694 1 8 . 1 1 477 477 SER HA H 477 4.855 4.855 4.869 -0.014 19214 5695 1 8 . 1 1 477 477 SER C C 477 173.315 173.315 172.733 0.582 19214 5696 1 8 . 1 1 477 477 SER CA C 477 56.600 56.600 57.534 -0.934 19214 5697 1 8 . 1 1 477 477 SER CB C 477 64.022 64.022 64.647 -0.625 19214 5698 1 8 . 1 1 477 477 SER H H 477 9.069 9.069 8.418 0.651 19214 5699 1 8 . 1 1 478 478 VAL N N 478 128.194 128.194 122.951 5.243 19214 5700 1 8 . 1 1 478 478 VAL HA H 478 5.287 5.287 4.557 0.730 19214 5701 1 8 . 1 1 478 478 VAL C C 478 173.093 173.093 174.648 -1.555 19214 5702 1 8 . 1 1 478 478 VAL CA C 478 58.849 58.849 60.093 -1.244 19214 5703 1 8 . 1 1 478 478 VAL CB C 478 35.764 35.764 34.615 1.149 19214 5704 1 8 . 1 1 478 478 VAL H H 478 9.081 9.081 8.174 0.907 19214 5705 1 8 . 1 1 479 479 ALA N N 479 129.566 129.566 129.815 -0.249 19214 5706 1 8 . 1 1 479 479 ALA HA H 479 4.358 4.358 4.362 -0.004 19214 5707 1 8 . 1 1 479 479 ALA C C 479 176.760 176.760 177.772 -1.012 19214 5708 1 8 . 1 1 479 479 ALA CA C 479 52.215 52.215 52.391 -0.176 19214 5709 1 8 . 1 1 479 479 ALA CB C 479 20.082 20.082 19.616 0.466 19214 5710 1 8 . 1 1 479 479 ALA H H 479 8.688 8.688 8.296 0.392 19214 5711 1 8 . 1 1 480 480 GLU N N 480 120.391 120.391 120.194 0.197 19214 5712 1 8 . 1 1 480 480 GLU HA H 480 4.011 4.011 4.168 -0.157 19214 5713 1 8 . 1 1 480 480 GLU C C 480 177.201 177.201 177.544 -0.343 19214 5714 1 8 . 1 1 480 480 GLU CA C 480 58.178 58.178 58.528 -0.350 19214 5715 1 8 . 1 1 480 480 GLU CB C 480 29.829 29.829 29.547 0.282 19214 5716 1 8 . 1 1 480 480 GLU H H 480 8.531 8.531 8.597 -0.066 19214 5717 1 8 . 1 1 481 481 GLY N N 481 110.913 110.913 109.316 1.597 19214 5718 1 8 . 1 1 481 481 GLY C C 481 174.000 174.000 174.052 -0.052 19214 5719 1 8 . 1 1 481 481 GLY CA C 481 44.644 44.644 44.312 0.332 19214 5720 1 8 . 1 1 481 481 GLY H H 481 8.557 8.557 8.538 0.019 19214 5721 1 8 . 1 1 482 482 TRP N N 482 119.571 119.571 122.630 -3.059 19214 5722 1 8 . 1 1 482 482 TRP HA H 482 5.200 5.200 5.038 0.162 19214 5723 1 8 . 1 1 482 482 TRP CA C 482 53.641 53.641 54.200 -0.559 19214 5724 1 8 . 1 1 482 482 TRP CB C 482 29.556 29.556 29.550 0.006 19214 5725 1 8 . 1 1 482 482 TRP H H 482 7.066 7.066 7.312 -0.246 19214 5726 1 8 . 1 1 484 484 GLN CB C 484 28.700 28.700 27.766 0.934 19214 5727 1 8 . 1 1 485 485 ALA HA H 485 4.021 4.021 4.204 -0.183 19214 5728 1 8 . 1 1 485 485 ALA C C 485 180.181 180.181 178.824 1.357 19214 5729 1 8 . 1 1 485 485 ALA CA C 485 55.328 55.328 54.151 1.177 19214 5730 1 8 . 1 1 485 485 ALA CB C 485 18.537 18.537 18.711 -0.174 19214 5731 1 8 . 1 1 486 486 ARG N N 486 114.901 114.901 117.642 -2.741 19214 5732 1 8 . 1 1 486 486 ARG HA H 486 4.104 4.104 4.040 0.064 19214 5733 1 8 . 1 1 486 486 ARG C C 486 176.165 176.165 176.597 -0.432 19214 5734 1 8 . 1 1 486 486 ARG CA C 486 58.068 58.068 58.735 -0.667 19214 5735 1 8 . 1 1 486 486 ARG CB C 486 29.624 29.624 29.880 -0.256 19214 5736 1 8 . 1 1 486 486 ARG H H 486 8.998 8.998 8.394 0.604 19214 5737 1 8 . 1 1 487 487 ASP N N 487 117.227 117.227 116.823 0.404 19214 5738 1 8 . 1 1 487 487 ASP HA H 487 4.724 4.724 4.603 0.121 19214 5739 1 8 . 1 1 487 487 ASP C C 487 175.859 175.859 176.312 -0.453 19214 5740 1 8 . 1 1 487 487 ASP CA C 487 54.873 54.873 55.409 -0.536 19214 5741 1 8 . 1 1 487 487 ASP CB C 487 41.415 41.415 40.972 0.443 19214 5742 1 8 . 1 1 487 487 ASP H H 487 7.424 7.424 7.810 -0.386 19214 5743 1 8 . 1 1 488 488 GLN N N 488 117.558 117.558 119.077 -1.519 19214 5744 1 8 . 1 1 488 488 GLN HA H 488 4.471 4.471 4.512 -0.041 19214 5745 1 8 . 1 1 488 488 GLN C C 488 175.010 175.010 175.125 -0.115 19214 5746 1 8 . 1 1 488 488 GLN CA C 488 54.037 54.037 54.907 -0.870 19214 5747 1 8 . 1 1 488 488 GLN CB C 488 29.989 29.989 30.119 -0.130 19214 5748 1 8 . 1 1 488 488 GLN H H 488 7.548 7.548 8.069 -0.521 19214 5749 1 8 . 1 1 489 489 VAL N N 489 122.991 122.991 124.691 -1.700 19214 5750 1 8 . 1 1 489 489 VAL HA H 489 4.102 4.102 4.240 -0.138 19214 5751 1 8 . 1 1 489 489 VAL C C 489 175.471 175.471 176.283 -0.812 19214 5752 1 8 . 1 1 489 489 VAL CA C 489 62.947 62.947 61.381 1.566 19214 5753 1 8 . 1 1 489 489 VAL CB C 489 31.473 31.473 31.557 -0.084 19214 5754 1 8 . 1 1 489 489 VAL H H 489 8.426 8.426 8.564 -0.138 19214 5755 1 8 . 1 1 490 490 ILE N N 490 128.401 128.401 125.383 3.018 19214 5756 1 8 . 1 1 490 490 ILE HA H 490 4.310 4.310 3.975 0.335 19214 5757 1 8 . 1 1 490 490 ILE H H 490 8.474 8.474 8.350 0.124 19214 5758 1 8 . 1 1 491 491 GLU HA H 491 4.361 4.361 4.096 0.265 19214 5759 1 8 . 1 1 491 491 GLU C C 491 174.175 174.175 176.236 -2.061 19214 5760 1 8 . 1 1 491 491 GLU CA C 491 54.874 54.874 57.313 -2.439 19214 5761 1 8 . 1 1 491 491 GLU CB C 491 31.063 31.063 29.833 1.230 19214 5762 1 8 . 1 1 492 492 ASP N N 492 117.270 117.270 119.244 -1.974 19214 5763 1 8 . 1 1 492 492 ASP HA H 492 4.730 4.730 4.596 0.134 19214 5764 1 8 . 1 1 492 492 ASP CA C 492 52.914 52.914 52.212 0.702 19214 5765 1 8 . 1 1 492 492 ASP CB C 492 44.223 44.223 41.414 2.809 19214 5766 1 8 . 1 1 492 492 ASP H H 492 6.870 6.870 8.306 -1.436 19214 5767 1 8 . 1 1 493 493 PRO C C 493 178.700 178.700 178.848 -0.148 19214 5768 1 8 . 1 1 493 493 PRO CA C 493 63.429 63.429 63.833 -0.404 19214 5769 1 8 . 1 1 493 493 PRO CB C 493 32.064 32.064 32.950 -0.886 19214 5770 1 8 . 1 1 494 494 CYS N N 494 121.800 121.800 114.689 7.111 19214 5771 1 8 . 1 1 494 494 CYS H H 494 8.010 8.010 8.395 -0.385 19214 5772 1 8 . 1 1 495 495 PHE CB C 495 36.800 36.800 39.497 -2.697 19214 5773 1 8 . 1 1 500 500 VAL C C 500 177.132 177.132 177.641 -0.509 19214 5774 1 8 . 1 1 501 501 GLU N N 501 117.783 117.783 120.028 -2.245 19214 5775 1 8 . 1 1 501 501 GLU C C 501 178.329 178.329 178.170 0.159 19214 5776 1 8 . 1 1 501 501 GLU H H 501 8.169 8.169 8.035 0.134 19214 5777 1 8 . 1 1 502 502 ALA N N 502 120.877 120.877 121.356 -0.479 19214 5778 1 8 . 1 1 502 502 ALA HA H 502 3.976 3.976 3.888 0.088 19214 5779 1 8 . 1 1 502 502 ALA C C 502 181.216 181.216 179.715 1.501 19214 5780 1 8 . 1 1 502 502 ALA CA C 502 55.113 55.113 54.592 0.521 19214 5781 1 8 . 1 1 502 502 ALA CB C 502 17.660 17.660 17.734 -0.074 19214 5782 1 8 . 1 1 502 502 ALA H H 502 7.982 7.982 7.204 0.778 19214 5783 1 8 . 1 1 503 503 TYR N N 503 116.217 116.217 116.558 -0.341 19214 5784 1 8 . 1 1 503 503 TYR HA H 503 4.440 4.440 4.452 -0.012 19214 5785 1 8 . 1 1 503 503 TYR C C 503 178.488 178.488 178.933 -0.445 19214 5786 1 8 . 1 1 503 503 TYR CA C 503 62.517 62.517 60.203 2.314 19214 5787 1 8 . 1 1 503 503 TYR CB C 503 38.834 38.834 38.030 0.804 19214 5788 1 8 . 1 1 503 503 TYR H H 503 7.310 7.310 7.527 -0.217 19214 5789 1 8 . 1 1 504 504 ARG N N 504 122.384 122.384 120.315 2.069 19214 5790 1 8 . 1 1 504 504 ARG HA H 504 3.748 3.748 4.095 -0.347 19214 5791 1 8 . 1 1 504 504 ARG C C 504 177.207 177.207 176.956 0.251 19214 5792 1 8 . 1 1 504 504 ARG CA C 504 59.734 59.734 58.447 1.287 19214 5793 1 8 . 1 1 504 504 ARG CB C 504 30.200 30.200 29.987 0.213 19214 5794 1 8 . 1 1 504 504 ARG H H 504 8.424 8.424 7.773 0.651 19214 5795 1 8 . 1 1 505 505 GLN N N 505 112.682 112.682 115.158 -2.476 19214 5796 1 8 . 1 1 505 505 GLN HA H 505 4.220 4.220 4.466 -0.246 19214 5797 1 8 . 1 1 505 505 GLN C C 505 176.342 176.342 176.401 -0.059 19214 5798 1 8 . 1 1 505 505 GLN CA C 505 55.587 55.587 55.277 0.310 19214 5799 1 8 . 1 1 505 505 GLN CB C 505 28.591 28.591 29.415 -0.824 19214 5800 1 8 . 1 1 505 505 GLN H H 505 7.436 7.436 7.573 -0.137 19214 5801 1 8 . 1 1 506 506 GLY N N 506 107.068 107.068 109.649 -2.581 19214 5802 1 8 . 1 1 506 506 GLY C C 506 174.202 174.202 173.830 0.372 19214 5803 1 8 . 1 1 506 506 GLY CA C 506 45.499 45.499 44.958 0.541 19214 5804 1 8 . 1 1 506 506 GLY H H 506 7.910 7.910 7.971 -0.061 19214 5805 1 8 . 1 1 507 507 ARG N N 507 123.044 123.044 120.140 2.904 19214 5806 1 8 . 1 1 507 507 ARG HA H 507 3.857 3.857 4.222 -0.365 19214 5807 1 8 . 1 1 507 507 ARG C C 507 172.375 172.375 175.649 -3.274 19214 5808 1 8 . 1 1 507 507 ARG CA C 507 57.969 57.969 56.201 1.768 19214 5809 1 8 . 1 1 507 507 ARG CB C 507 30.269 30.269 31.392 -1.123 19214 5810 1 8 . 1 1 507 507 ARG H H 507 7.934 7.934 7.741 0.193 19214 5811 1 8 . 1 1 508 508 ILE N N 508 120.600 120.600 122.983 -2.383 19214 5812 1 8 . 1 1 508 508 ILE HA H 508 4.819 4.819 4.241 0.578 19214 5813 1 8 . 1 1 508 508 ILE C C 508 177.238 177.238 174.893 2.345 19214 5814 1 8 . 1 1 508 508 ILE CA C 508 59.801 59.801 60.651 -0.850 19214 5815 1 8 . 1 1 508 508 ILE CB C 508 41.877 41.877 38.956 2.921 19214 5816 1 8 . 1 1 508 508 ILE H H 508 7.572 7.572 8.218 -0.646 19214 5817 1 8 . 1 1 509 509 GLN N N 509 127.676 127.676 128.918 -1.242 19214 5818 1 8 . 1 1 509 509 GLN HA H 509 4.761 4.761 4.680 0.081 19214 5819 1 8 . 1 1 509 509 GLN C C 509 172.804 172.804 173.597 -0.793 19214 5820 1 8 . 1 1 509 509 GLN CA C 509 54.158 54.158 54.560 -0.402 19214 5821 1 8 . 1 1 509 509 GLN CB C 509 31.078 31.078 31.024 0.054 19214 5822 1 8 . 1 1 509 509 GLN H H 509 8.894 8.894 8.435 0.459 19214 5823 1 8 . 1 1 510 510 ALA N N 510 132.910 132.910 130.579 2.331 19214 5824 1 8 . 1 1 510 510 ALA HA H 510 4.912 4.912 4.812 0.100 19214 5825 1 8 . 1 1 510 510 ALA C C 510 175.581 175.581 176.539 -0.958 19214 5826 1 8 . 1 1 510 510 ALA CA C 510 51.180 51.180 51.255 -0.075 19214 5827 1 8 . 1 1 510 510 ALA CB C 510 19.939 19.939 21.045 -1.106 19214 5828 1 8 . 1 1 510 510 ALA H H 510 9.110 9.110 8.725 0.385 19214 5829 1 8 . 1 1 511 511 THR N N 511 123.543 123.543 123.026 0.517 19214 5830 1 8 . 1 1 511 511 THR HA H 511 4.636 4.636 4.878 -0.242 19214 5831 1 8 . 1 1 511 511 THR C C 511 174.690 174.690 175.297 -0.607 19214 5832 1 8 . 1 1 511 511 THR CA C 511 61.883 61.883 61.590 0.293 19214 5833 1 8 . 1 1 511 511 THR CB C 511 69.826 69.826 69.900 -0.074 19214 5834 1 8 . 1 1 511 511 THR H H 511 9.525 9.525 8.306 1.219 19214 5835 1 8 . 1 1 512 512 THR N N 512 129.502 129.502 115.387 14.115 19214 5836 1 8 . 1 1 512 512 THR HA H 512 4.524 4.524 3.968 0.556 19214 5837 1 8 . 1 1 512 512 THR C C 512 172.791 172.791 173.673 -0.882 19214 5838 1 8 . 1 1 512 512 THR CA C 512 63.974 63.974 64.392 -0.418 19214 5839 1 8 . 1 1 512 512 THR CB C 512 69.199 69.199 69.080 0.119 19214 5840 1 8 . 1 1 512 512 THR H H 512 9.024 9.024 8.848 0.176 19214 5841 1 8 . 1 1 513 513 ASP N N 513 113.203 113.203 116.716 -3.513 19214 5842 1 8 . 1 1 513 513 ASP HA H 513 4.891 4.891 4.755 0.136 19214 5843 1 8 . 1 1 513 513 ASP C C 513 179.282 179.282 175.611 3.671 19214 5844 1 8 . 1 1 513 513 ASP CA C 513 51.637 51.637 53.291 -1.655 19214 5845 1 8 . 1 1 513 513 ASP CB C 513 42.591 42.591 42.381 0.210 19214 5846 1 8 . 1 1 513 513 ASP H H 513 7.263 7.263 7.813 -0.550 19214 5847 1 8 . 1 1 514 514 ILE N N 514 122.554 122.554 121.797 0.757 19214 5848 1 8 . 1 1 514 514 ILE HA H 514 3.595 3.595 3.920 -0.325 19214 5849 1 8 . 1 1 514 514 ILE C C 514 175.984 175.984 176.795 -0.811 19214 5850 1 8 . 1 1 514 514 ILE CA C 514 64.552 64.552 62.754 1.798 19214 5851 1 8 . 1 1 514 514 ILE CB C 514 37.796 37.796 37.685 0.111 19214 5852 1 8 . 1 1 514 514 ILE H H 514 9.465 9.465 8.734 0.731 19214 5853 1 8 . 1 1 515 515 PHE N N 515 117.573 117.573 117.636 -0.063 19214 5854 1 8 . 1 1 515 515 PHE HA H 515 4.399 4.399 4.222 0.177 19214 5855 1 8 . 1 1 515 515 PHE C C 515 176.347 176.347 176.242 0.105 19214 5856 1 8 . 1 1 515 515 PHE CA C 515 59.346 59.346 60.110 -0.764 19214 5857 1 8 . 1 1 515 515 PHE CB C 515 37.709 37.709 38.603 -0.895 19214 5858 1 8 . 1 1 515 515 PHE H H 515 7.804 7.804 8.403 -0.599 19214 5859 1 8 . 1 1 516 516 LYS N N 516 118.690 118.690 117.287 1.403 19214 5860 1 8 . 1 1 516 516 LYS HA H 516 4.692 4.692 4.429 0.263 19214 5861 1 8 . 1 1 516 516 LYS C C 516 175.821 175.821 175.714 0.107 19214 5862 1 8 . 1 1 516 516 LYS CA C 516 54.851 54.851 55.560 -0.709 19214 5863 1 8 . 1 1 516 516 LYS CB C 516 33.855 33.855 31.720 2.135 19214 5864 1 8 . 1 1 516 516 LYS H H 516 7.559 7.559 7.621 -0.062 19214 5865 1 8 . 1 1 517 517 ALA N N 517 121.471 121.471 121.353 0.118 19214 5866 1 8 . 1 1 517 517 ALA HA H 517 4.530 4.530 4.561 -0.031 19214 5867 1 8 . 1 1 517 517 ALA CA C 517 52.124 52.124 51.580 0.544 19214 5868 1 8 . 1 1 517 517 ALA CB C 517 20.974 20.974 20.767 0.207 19214 5869 1 8 . 1 1 517 517 ALA H H 517 7.219 7.219 7.324 -0.105 19214 5870 1 8 . 1 1 518 518 GLY C C 518 175.423 175.423 174.785 0.638 19214 5871 1 8 . 1 1 518 518 GLY CA C 518 46.692 46.692 45.388 1.304 19214 5872 1 8 . 1 1 519 519 LEU N N 519 119.857 119.857 117.700 2.157 19214 5873 1 8 . 1 1 519 519 LEU HA H 519 4.348 4.348 4.081 0.267 19214 5874 1 8 . 1 1 519 519 LEU C C 519 177.704 177.704 178.918 -1.214 19214 5875 1 8 . 1 1 519 519 LEU CA C 519 54.535 54.535 56.306 -1.771 19214 5876 1 8 . 1 1 519 519 LEU CB C 519 41.174 41.174 41.425 -0.251 19214 5877 1 8 . 1 1 519 519 LEU H H 519 8.531 8.531 7.772 0.759 19214 5878 1 8 . 1 1 520 520 THR N N 520 113.386 113.386 109.602 3.784 19214 5879 1 8 . 1 1 520 520 THR HA H 520 4.260 4.260 3.753 0.507 19214 5880 1 8 . 1 1 520 520 THR CA C 520 61.653 61.653 64.748 -3.095 19214 5881 1 8 . 1 1 520 520 THR CB C 520 71.260 71.260 68.257 3.003 19214 5882 1 8 . 1 1 520 520 THR H H 520 9.352 9.352 8.574 0.778 19214 5883 1 8 . 1 1 522 522 CYS HA H 522 4.385 4.385 4.327 0.058 19214 5884 1 8 . 1 1 522 522 CYS C C 522 175.903 175.903 173.869 2.034 19214 5885 1 8 . 1 1 522 522 CYS CA C 522 58.664 58.664 59.073 -0.409 19214 5886 1 8 . 1 1 522 522 CYS CB C 522 31.785 31.785 26.180 5.604 19214 5887 1 8 . 1 1 523 523 HIS N N 523 125.416 125.416 120.220 5.196 19214 5888 1 8 . 1 1 523 523 HIS HA H 523 4.430 4.430 4.381 0.049 19214 5889 1 8 . 1 1 523 523 HIS C C 523 178.292 178.292 176.407 1.885 19214 5890 1 8 . 1 1 523 523 HIS CA C 523 55.874 55.874 56.316 -0.442 19214 5891 1 8 . 1 1 523 523 HIS CB C 523 33.792 33.792 30.661 3.131 19214 5892 1 8 . 1 1 523 523 HIS H H 523 7.210 7.210 7.742 -0.532 19214 5893 1 8 . 1 1 524 524 LEU N N 524 120.382 120.382 120.453 -0.071 19214 5894 1 8 . 1 1 524 524 LEU HA H 524 3.447 3.447 3.582 -0.135 19214 5895 1 8 . 1 1 524 524 LEU C C 524 179.772 179.772 178.212 1.560 19214 5896 1 8 . 1 1 524 524 LEU CA C 524 58.643 58.643 58.770 -0.127 19214 5897 1 8 . 1 1 524 524 LEU CB C 524 41.395 41.395 41.054 0.341 19214 5898 1 8 . 1 1 524 524 LEU H H 524 8.407 8.407 8.658 -0.251 19214 5899 1 8 . 1 1 525 525 ASN N N 525 115.617 115.617 117.038 -1.421 19214 5900 1 8 . 1 1 525 525 ASN HA H 525 4.474 4.474 4.403 0.071 19214 5901 1 8 . 1 1 525 525 ASN C C 525 176.493 176.493 176.851 -0.358 19214 5902 1 8 . 1 1 525 525 ASN CA C 525 55.154 55.154 55.628 -0.474 19214 5903 1 8 . 1 1 525 525 ASN CB C 525 38.056 38.056 37.619 0.437 19214 5904 1 8 . 1 1 525 525 ASN H H 525 8.540 8.540 8.330 0.210 19214 5905 1 8 . 1 1 526 526 GLN N N 526 116.828 116.828 116.059 0.769 19214 5906 1 8 . 1 1 526 526 GLN HA H 526 4.004 4.004 4.367 -0.363 19214 5907 1 8 . 1 1 526 526 GLN C C 526 175.549 175.549 177.080 -1.531 19214 5908 1 8 . 1 1 526 526 GLN CA C 526 57.483 57.483 57.020 0.463 19214 5909 1 8 . 1 1 526 526 GLN CB C 526 29.433 29.433 29.854 -0.421 19214 5910 1 8 . 1 1 526 526 GLN H H 526 7.492 7.492 7.825 -0.333 19214 5911 1 8 . 1 1 527 527 LEU N N 527 115.200 115.200 118.661 -3.461 19214 5912 1 8 . 1 1 527 527 LEU HA H 527 4.064 4.064 4.530 -0.466 19214 5913 1 8 . 1 1 527 527 LEU C C 527 178.808 178.808 177.621 1.187 19214 5914 1 8 . 1 1 527 527 LEU CA C 527 55.460 55.460 56.146 -0.686 19214 5915 1 8 . 1 1 527 527 LEU CB C 527 43.643 43.643 42.440 1.203 19214 5916 1 8 . 1 1 527 527 LEU H H 527 6.803 6.803 7.980 -1.177 19214 5917 1 8 . 1 1 528 528 ARG N N 528 121.174 121.174 120.984 0.190 19214 5918 1 8 . 1 1 528 528 ARG HA H 528 4.230 4.230 4.359 -0.129 19214 5919 1 8 . 1 1 528 528 ARG CA C 528 61.240 61.240 59.311 1.929 19214 5920 1 8 . 1 1 528 528 ARG CB C 528 28.670 28.670 27.770 0.900 19214 5921 1 8 . 1 1 528 528 ARG H H 528 8.763 8.763 8.688 0.075 19214 5922 1 8 . 1 1 529 529 PRO HA H 529 4.397 4.397 4.271 0.126 19214 5923 1 8 . 1 1 529 529 PRO C C 529 176.672 176.672 177.755 -1.083 19214 5924 1 8 . 1 1 529 529 PRO CA C 529 65.693 65.693 65.200 0.493 19214 5925 1 8 . 1 1 529 529 PRO CB C 529 30.983 30.983 30.937 0.046 19214 5926 1 8 . 1 1 530 530 LEU N N 530 112.952 112.952 114.166 -1.214 19214 5927 1 8 . 1 1 530 530 LEU HA H 530 4.198 4.198 4.239 -0.041 19214 5928 1 8 . 1 1 530 530 LEU C C 530 176.746 176.746 176.441 0.305 19214 5929 1 8 . 1 1 530 530 LEU CA C 530 53.564 53.564 54.964 -1.400 19214 5930 1 8 . 1 1 530 530 LEU CB C 530 42.143 42.143 41.764 0.379 19214 5931 1 8 . 1 1 530 530 LEU H H 530 6.762 6.762 7.935 -1.173 19214 5932 1 8 . 1 1 531 531 LYS N N 531 114.491 114.491 112.908 1.583 19214 5933 1 8 . 1 1 531 531 LYS HA H 531 3.921 3.921 3.963 -0.042 19214 5934 1 8 . 1 1 531 531 LYS C C 531 173.427 173.427 175.777 -2.350 19214 5935 1 8 . 1 1 531 531 LYS CA C 531 56.732 56.732 56.753 -0.021 19214 5936 1 8 . 1 1 531 531 LYS CB C 531 28.329 28.329 29.380 -1.051 19214 5937 1 8 . 1 1 531 531 LYS H H 531 8.319 8.319 7.614 0.705 19214 5938 1 8 . 1 1 532 532 VAL N N 532 114.641 114.641 113.454 1.187 19214 5939 1 8 . 1 1 532 532 VAL HA H 532 2.631 2.631 3.980 -1.349 19214 5940 1 8 . 1 1 532 532 VAL C C 532 174.660 174.660 175.520 -0.860 19214 5941 1 8 . 1 1 532 532 VAL CA C 532 65.644 65.644 62.572 3.072 19214 5942 1 8 . 1 1 532 532 VAL CB C 532 32.120 32.120 31.469 0.651 19214 5943 1 8 . 1 1 532 532 VAL H H 532 6.295 6.295 7.213 -0.918 19214 5944 1 8 . 1 1 533 533 ARG N N 533 120.970 120.970 125.374 -4.404 19214 5945 1 8 . 1 1 533 533 ARG HA H 533 4.473 4.473 4.429 0.044 19214 5946 1 8 . 1 1 533 533 ARG C C 533 173.734 173.734 175.648 -1.914 19214 5947 1 8 . 1 1 533 533 ARG CA C 533 55.062 55.062 56.435 -1.373 19214 5948 1 8 . 1 1 533 533 ARG CB C 533 30.163 30.163 31.269 -1.106 19214 5949 1 8 . 1 1 533 533 ARG H H 533 8.446 8.446 7.966 0.480 19214 5950 1 8 . 1 1 534 534 ALA N N 534 123.443 123.443 120.166 3.277 19214 5951 1 8 . 1 1 534 534 ALA HA H 534 4.842 4.842 4.837 0.005 19214 5952 1 8 . 1 1 534 534 ALA C C 534 176.821 176.821 175.483 1.338 19214 5953 1 8 . 1 1 534 534 ALA CA C 534 51.093 51.093 50.596 0.497 19214 5954 1 8 . 1 1 534 534 ALA CB C 534 24.474 24.474 22.103 2.371 19214 5955 1 8 . 1 1 534 534 ALA H H 534 8.477 8.477 7.447 1.030 19214 5956 1 8 . 1 1 535 535 ASN N N 535 121.981 121.981 121.268 0.713 19214 5957 1 8 . 1 1 535 535 ASN HA H 535 5.709 5.709 5.102 0.607 19214 5958 1 8 . 1 1 535 535 ASN C C 535 171.453 171.453 173.346 -1.893 19214 5959 1 8 . 1 1 535 535 ASN CA C 535 52.188 52.188 53.033 -0.845 19214 5960 1 8 . 1 1 535 535 ASN CB C 535 44.081 44.081 42.151 1.930 19214 5961 1 8 . 1 1 535 535 ASN H H 535 8.910 8.910 8.627 0.283 19214 5962 1 8 . 1 1 536 536 LEU N N 536 132.341 132.341 127.193 5.148 19214 5963 1 8 . 1 1 536 536 LEU HA H 536 5.104 5.104 4.286 0.818 19214 5964 1 8 . 1 1 536 536 LEU C C 536 173.245 173.245 173.730 -0.485 19214 5965 1 8 . 1 1 536 536 LEU CA C 536 53.812 53.812 53.386 0.426 19214 5966 1 8 . 1 1 536 536 LEU CB C 536 41.977 41.977 44.722 -2.745 19214 5967 1 8 . 1 1 536 536 LEU H H 536 9.242 9.242 7.495 1.747 19214 5968 1 8 . 1 1 537 537 VAL N N 537 126.829 126.829 124.930 1.899 19214 5969 1 8 . 1 1 537 537 VAL HA H 537 4.580 4.580 4.946 -0.366 19214 5970 1 8 . 1 1 537 537 VAL C C 537 174.764 174.764 174.663 0.101 19214 5971 1 8 . 1 1 537 537 VAL CA C 537 61.450 61.450 60.050 1.400 19214 5972 1 8 . 1 1 537 537 VAL CB C 537 35.260 35.260 35.892 -0.631 19214 5973 1 8 . 1 1 537 537 VAL H H 537 9.258 9.258 8.205 1.053 19214 5974 1 8 . 1 1 538 538 VAL N N 538 120.280 120.280 117.873 2.407 19214 5975 1 8 . 1 1 538 538 VAL HA H 538 5.240 5.240 4.876 0.364 19214 5976 1 8 . 1 1 538 538 VAL CA C 538 56.785 56.785 58.096 -1.311 19214 5977 1 8 . 1 1 538 538 VAL CB C 538 33.470 33.470 34.450 -0.980 19214 5978 1 8 . 1 1 538 538 VAL H H 538 8.809 8.809 8.030 0.779 19214 5979 1 8 . 1 1 539 539 PRO HA H 539 4.756 4.756 4.658 0.098 19214 5980 1 8 . 1 1 539 539 PRO C C 539 175.826 175.826 175.643 0.183 19214 5981 1 8 . 1 1 539 539 PRO CA C 539 62.754 62.754 62.848 -0.094 19214 5982 1 8 . 1 1 539 539 PRO CB C 539 34.400 34.400 32.649 1.751 19214 5983 1 8 . 1 1 540 540 MET N N 540 118.724 118.724 123.855 -5.131 19214 5984 1 8 . 1 1 540 540 MET HA H 540 4.397 4.397 4.873 -0.476 19214 5985 1 8 . 1 1 540 540 MET C C 540 173.839 173.839 173.934 -0.095 19214 5986 1 8 . 1 1 540 540 MET CA C 540 55.758 55.758 54.942 0.816 19214 5987 1 8 . 1 1 540 540 MET CB C 540 34.217 34.217 35.153 -0.936 19214 5988 1 8 . 1 1 540 540 MET H H 540 8.360 8.360 8.127 0.233 19214 5989 1 8 . 1 1 541 541 VAL N N 541 125.320 125.320 121.441 3.879 19214 5990 1 8 . 1 1 541 541 VAL HA H 541 5.100 5.100 5.353 -0.253 19214 5991 1 8 . 1 1 541 541 VAL C C 541 174.569 174.569 173.760 0.809 19214 5992 1 8 . 1 1 541 541 VAL CA C 541 60.526 60.526 59.301 1.224 19214 5993 1 8 . 1 1 541 541 VAL CB C 541 34.461 34.461 35.072 -0.611 19214 5994 1 8 . 1 1 541 541 VAL H H 541 8.383 8.383 8.328 0.055 19214 5995 1 8 . 1 1 542 542 ILE N N 542 125.677 125.677 124.515 1.162 19214 5996 1 8 . 1 1 542 542 ILE HA H 542 4.256 4.256 4.313 -0.057 19214 5997 1 8 . 1 1 542 542 ILE C C 542 175.815 175.815 175.139 0.676 19214 5998 1 8 . 1 1 542 542 ILE CA C 542 60.441 60.441 60.398 0.043 19214 5999 1 8 . 1 1 542 542 ILE CB C 542 41.219 41.219 40.478 0.741 19214 6000 1 8 . 1 1 542 542 ILE H H 542 8.470 8.470 9.098 -0.628 19214 6001 1 8 . 1 1 543 543 ASP N N 543 130.204 130.204 127.884 2.320 19214 6002 1 8 . 1 1 543 543 ASP HA H 543 4.150 4.150 4.387 -0.237 19214 6003 1 8 . 1 1 543 543 ASP CA C 543 56.014 56.014 55.172 0.842 19214 6004 1 8 . 1 1 543 543 ASP CB C 543 39.515 39.515 40.533 -1.018 19214 6005 1 8 . 1 1 543 543 ASP H H 543 9.650 9.650 8.701 0.949 19214 6006 1 8 . 1 1 544 544 ASP HA H 544 4.180 4.180 4.238 -0.058 19214 6007 1 8 . 1 1 544 544 ASP C C 544 174.473 174.473 174.808 -0.335 19214 6008 1 8 . 1 1 544 544 ASP CA C 544 55.500 55.500 55.431 0.069 19214 6009 1 8 . 1 1 544 544 ASP CB C 544 40.941 40.941 39.969 0.972 19214 6010 1 8 . 1 1 545 545 GLN N N 545 117.251 117.251 116.649 0.602 19214 6011 1 8 . 1 1 545 545 GLN CA C 545 53.533 53.533 55.173 -1.640 19214 6012 1 8 . 1 1 545 545 GLN H H 545 7.868 7.868 7.375 0.493 19214 6013 1 8 . 1 1 546 546 LEU C C 546 174.500 174.500 176.089 -1.589 19214 6014 1 8 . 1 1 547 547 PHE N N 547 130.200 130.200 127.687 2.513 19214 6015 1 8 . 1 1 547 547 PHE HA H 547 4.650 4.650 4.531 0.119 19214 6016 1 8 . 1 1 547 547 PHE C C 547 176.033 176.033 174.412 1.621 19214 6017 1 8 . 1 1 547 547 PHE CA C 547 59.700 59.700 58.530 1.170 19214 6018 1 8 . 1 1 547 547 PHE CB C 547 40.800 40.800 42.301 -1.501 19214 6019 1 8 . 1 1 547 547 PHE H H 547 9.120 9.120 8.730 0.390 19214 6020 1 8 . 1 1 548 548 GLY N N 548 102.705 102.705 104.155 -1.450 19214 6021 1 8 . 1 1 548 548 GLY C C 548 169.494 169.494 171.654 -2.160 19214 6022 1 8 . 1 1 548 548 GLY CA C 548 46.008 46.008 45.334 0.674 19214 6023 1 8 . 1 1 548 548 GLY H H 548 7.939 7.939 7.520 0.419 19214 6024 1 8 . 1 1 549 549 LEU N N 549 118.437 118.437 118.398 0.039 19214 6025 1 8 . 1 1 549 549 LEU HA H 549 4.870 4.870 4.997 -0.127 19214 6026 1 8 . 1 1 549 549 LEU C C 549 173.746 173.746 175.494 -1.748 19214 6027 1 8 . 1 1 549 549 LEU CA C 549 53.108 53.108 54.736 -1.628 19214 6028 1 8 . 1 1 549 549 LEU CB C 549 44.752 44.752 46.253 -1.501 19214 6029 1 8 . 1 1 549 549 LEU H H 549 9.279 9.279 7.803 1.476 19214 6030 1 8 . 1 1 550 550 LEU N N 550 127.359 127.359 122.972 4.387 19214 6031 1 8 . 1 1 550 550 LEU HA H 550 4.881 4.881 4.654 0.228 19214 6032 1 8 . 1 1 550 550 LEU C C 550 174.669 174.669 176.128 -1.459 19214 6033 1 8 . 1 1 550 550 LEU CA C 550 54.216 54.216 54.796 -0.580 19214 6034 1 8 . 1 1 550 550 LEU CB C 550 42.954 42.954 42.329 0.625 19214 6035 1 8 . 1 1 550 550 LEU H H 550 9.068 9.068 8.069 0.999 19214 6036 1 8 . 1 1 551 551 ILE N N 551 126.177 126.177 122.969 3.208 19214 6037 1 8 . 1 1 551 551 ILE HA H 551 5.234 5.234 5.225 0.009 19214 6038 1 8 . 1 1 551 551 ILE C C 551 173.709 173.709 174.362 -0.653 19214 6039 1 8 . 1 1 551 551 ILE CA C 551 59.720 59.720 59.249 0.471 19214 6040 1 8 . 1 1 551 551 ILE CB C 551 42.210 42.210 41.250 0.960 19214 6041 1 8 . 1 1 551 551 ILE H H 551 8.584 8.584 8.069 0.515 19214 6042 1 8 . 1 1 552 552 ALA N N 552 129.345 129.345 128.321 1.024 19214 6043 1 8 . 1 1 552 552 ALA HA H 552 5.194 5.194 4.646 0.548 19214 6044 1 8 . 1 1 552 552 ALA C C 552 175.549 175.549 175.203 0.346 19214 6045 1 8 . 1 1 552 552 ALA CA C 552 49.380 49.380 50.555 -1.175 19214 6046 1 8 . 1 1 552 552 ALA CB C 552 23.712 23.712 21.145 2.567 19214 6047 1 8 . 1 1 552 552 ALA H H 552 9.709 9.709 7.978 1.731 19214 6048 1 8 . 1 1 553 553 HIS N N 553 115.303 115.303 121.847 -6.544 19214 6049 1 8 . 1 1 553 553 HIS HA H 553 6.162 6.162 5.246 0.916 19214 6050 1 8 . 1 1 553 553 HIS C C 553 177.121 177.121 174.738 2.383 19214 6051 1 8 . 1 1 553 553 HIS CA C 553 51.965 51.965 54.532 -2.567 19214 6052 1 8 . 1 1 553 553 HIS CB C 553 36.593 36.593 31.795 4.798 19214 6053 1 8 . 1 1 553 553 HIS H H 553 9.151 9.151 8.000 1.151 19214 6054 1 8 . 1 1 554 554 GLN N N 554 124.107 124.107 124.127 -0.020 19214 6055 1 8 . 1 1 554 554 GLN HA H 554 4.540 4.540 4.379 0.161 19214 6056 1 8 . 1 1 554 554 GLN C C 554 174.320 174.320 175.413 -1.093 19214 6057 1 8 . 1 1 554 554 GLN CA C 554 55.976 55.976 55.058 0.918 19214 6058 1 8 . 1 1 554 554 GLN CB C 554 30.828 30.828 29.397 1.431 19214 6059 1 8 . 1 1 554 554 GLN H H 554 8.647 8.647 8.798 -0.151 19214 6060 1 8 . 1 1 555 555 ALA N N 555 136.582 136.582 129.831 6.751 19214 6061 1 8 . 1 1 555 555 ALA HA H 555 4.617 4.617 4.503 0.114 19214 6062 1 8 . 1 1 555 555 ALA C C 555 177.422 177.422 177.056 0.366 19214 6063 1 8 . 1 1 555 555 ALA CA C 555 52.406 52.406 52.985 -0.579 19214 6064 1 8 . 1 1 555 555 ALA CB C 555 19.553 19.553 18.016 1.537 19214 6065 1 8 . 1 1 555 555 ALA H H 555 11.550 11.550 8.543 3.007 19214 6066 1 8 . 1 1 556 556 SER N N 556 111.945 111.945 112.536 -0.591 19214 6067 1 8 . 1 1 556 556 SER HA H 556 4.044 4.044 4.298 -0.254 19214 6068 1 8 . 1 1 556 556 SER C C 556 174.912 174.912 173.163 1.749 19214 6069 1 8 . 1 1 556 556 SER CA C 556 61.145 61.145 59.103 2.042 19214 6070 1 8 . 1 1 556 556 SER CB C 556 62.905 62.905 63.647 -0.742 19214 6071 1 8 . 1 1 556 556 SER H H 556 8.083 8.083 8.137 -0.054 19214 6072 1 8 . 1 1 557 557 GLU N N 557 117.238 117.238 116.936 0.302 19214 6073 1 8 . 1 1 557 557 GLU CA C 557 53.900 53.900 54.692 -0.792 19214 6074 1 8 . 1 1 557 557 GLU CB C 557 30.171 30.171 30.008 0.164 19214 6075 1 8 . 1 1 557 557 GLU H H 557 7.318 7.318 7.735 -0.417 19214 6076 1 8 . 1 1 558 558 PRO HA H 558 4.194 4.194 4.429 -0.235 19214 6077 1 8 . 1 1 558 558 PRO C C 558 174.855 174.855 175.790 -0.935 19214 6078 1 8 . 1 1 558 558 PRO CA C 558 62.915 62.915 63.046 -0.131 19214 6079 1 8 . 1 1 558 558 PRO CB C 558 32.862 32.862 32.244 0.618 19214 6080 1 8 . 1 1 559 559 ARG N N 559 121.957 121.957 122.005 -0.048 19214 6081 1 8 . 1 1 559 559 ARG HA H 559 3.945 3.945 4.359 -0.414 19214 6082 1 8 . 1 1 559 559 ARG C C 559 171.134 171.134 174.631 -3.497 19214 6083 1 8 . 1 1 559 559 ARG CA C 559 55.538 55.538 54.059 1.479 19214 6084 1 8 . 1 1 559 559 ARG CB C 559 33.169 33.169 31.535 1.633 19214 6085 1 8 . 1 1 559 559 ARG H H 559 7.836 7.836 7.983 -0.147 19214 6086 1 8 . 1 1 560 560 GLN N N 560 126.067 126.067 122.595 3.472 19214 6087 1 8 . 1 1 560 560 GLN HA H 560 4.372 4.372 3.603 0.769 19214 6088 1 8 . 1 1 560 560 GLN C C 560 175.848 175.848 175.055 0.793 19214 6089 1 8 . 1 1 560 560 GLN CA C 560 53.622 53.622 54.717 -1.095 19214 6090 1 8 . 1 1 560 560 GLN CB C 560 27.811 27.811 28.825 -1.014 19214 6091 1 8 . 1 1 560 560 GLN H H 560 8.332 8.332 8.228 0.104 19214 6092 1 8 . 1 1 561 561 TRP N N 561 133.373 133.373 127.606 5.767 19214 6093 1 8 . 1 1 561 561 TRP HA H 561 4.522 4.522 4.488 0.034 19214 6094 1 8 . 1 1 561 561 TRP C C 561 176.141 176.141 175.589 0.552 19214 6095 1 8 . 1 1 561 561 TRP CA C 561 56.337 56.337 56.733 -0.395 19214 6096 1 8 . 1 1 561 561 TRP CB C 561 28.840 28.840 29.620 -0.780 19214 6097 1 8 . 1 1 561 561 TRP H H 561 7.982 7.982 7.140 0.842 19214 6098 1 8 . 1 1 562 562 GLN N N 562 124.678 124.678 120.383 4.295 19214 6099 1 8 . 1 1 562 562 GLN HA H 562 4.454 4.454 4.444 0.010 19214 6100 1 8 . 1 1 562 562 GLN C C 562 177.088 177.088 177.270 -0.182 19214 6101 1 8 . 1 1 562 562 GLN CA C 562 54.676 54.676 54.552 0.124 19214 6102 1 8 . 1 1 562 562 GLN CB C 562 30.526 30.526 29.333 1.193 19214 6103 1 8 . 1 1 562 562 GLN H H 562 9.763 9.763 8.339 1.424 19214 6104 1 8 . 1 1 563 563 GLU N N 563 124.545 124.545 124.976 -0.431 19214 6105 1 8 . 1 1 563 563 GLU HA H 563 3.907 3.907 4.034 -0.127 19214 6106 1 8 . 1 1 563 563 GLU C C 563 178.742 178.742 178.181 0.561 19214 6107 1 8 . 1 1 563 563 GLU CA C 563 61.275 61.275 60.273 1.002 19214 6108 1 8 . 1 1 563 563 GLU CB C 563 29.149 29.149 29.246 -0.097 19214 6109 1 8 . 1 1 563 563 GLU H H 563 9.210 9.210 9.120 0.090 19214 6110 1 8 . 1 1 564 564 ILE N N 564 115.275 115.275 114.353 0.922 19214 6111 1 8 . 1 1 564 564 ILE HA H 564 4.208 4.208 4.046 0.162 19214 6112 1 8 . 1 1 564 564 ILE C C 564 177.462 177.462 177.636 -0.174 19214 6113 1 8 . 1 1 564 564 ILE CA C 564 63.380 63.380 64.034 -0.654 19214 6114 1 8 . 1 1 564 564 ILE CB C 564 37.828 37.828 36.544 1.284 19214 6115 1 8 . 1 1 564 564 ILE H H 564 8.496 8.496 8.101 0.395 19214 6116 1 8 . 1 1 565 565 GLU N N 565 121.174 121.174 121.846 -0.672 19214 6117 1 8 . 1 1 565 565 GLU HA H 565 4.009 4.009 4.202 -0.193 19214 6118 1 8 . 1 1 565 565 GLU C C 565 178.217 178.217 179.818 -1.601 19214 6119 1 8 . 1 1 565 565 GLU CA C 565 58.713 58.713 59.770 -1.057 19214 6120 1 8 . 1 1 565 565 GLU CB C 565 29.685 29.685 29.271 0.414 19214 6121 1 8 . 1 1 565 565 GLU H H 565 6.668 6.668 7.457 -0.789 19214 6122 1 8 . 1 1 566 566 ILE N N 566 119.747 119.747 120.854 -1.107 19214 6123 1 8 . 1 1 566 566 ILE HA H 566 3.387 3.387 3.758 -0.371 19214 6124 1 8 . 1 1 566 566 ILE C C 566 178.911 178.911 178.077 0.834 19214 6125 1 8 . 1 1 566 566 ILE CA C 566 66.484 66.484 66.003 0.481 19214 6126 1 8 . 1 1 566 566 ILE CB C 566 38.410 38.410 37.848 0.562 19214 6127 1 8 . 1 1 566 566 ILE H H 566 8.165 8.165 8.712 -0.547 19214 6128 1 8 . 1 1 567 567 ASP N N 567 120.827 120.827 120.459 0.368 19214 6129 1 8 . 1 1 567 567 ASP HA H 567 4.373 4.373 4.407 -0.034 19214 6130 1 8 . 1 1 567 567 ASP C C 567 179.462 179.462 179.183 0.279 19214 6131 1 8 . 1 1 567 567 ASP CA C 567 57.949 57.949 57.669 0.280 19214 6132 1 8 . 1 1 567 567 ASP CB C 567 40.516 40.516 40.126 0.390 19214 6133 1 8 . 1 1 567 567 ASP H H 567 8.574 8.574 7.857 0.717 19214 6134 1 8 . 1 1 568 568 GLN N N 568 118.625 118.625 119.481 -0.856 19214 6135 1 8 . 1 1 568 568 GLN HA H 568 4.140 4.140 4.083 0.057 19214 6136 1 8 . 1 1 568 568 GLN C C 568 179.204 179.204 178.692 0.512 19214 6137 1 8 . 1 1 568 568 GLN CA C 568 59.294 59.294 58.743 0.550 19214 6138 1 8 . 1 1 568 568 GLN CB C 568 29.558 29.558 28.948 0.610 19214 6139 1 8 . 1 1 568 568 GLN H H 568 8.321 8.321 8.288 0.033 19214 6140 1 8 . 1 1 569 569 PHE N N 569 124.764 124.764 120.946 3.818 19214 6141 1 8 . 1 1 569 569 PHE HA H 569 4.310 4.310 4.235 0.075 19214 6142 1 8 . 1 1 569 569 PHE C C 569 177.387 177.387 177.158 0.229 19214 6143 1 8 . 1 1 569 569 PHE CA C 569 61.106 61.106 60.498 0.608 19214 6144 1 8 . 1 1 569 569 PHE CB C 569 40.452 40.452 39.276 1.176 19214 6145 1 8 . 1 1 569 569 PHE H H 569 8.999 8.999 8.469 0.530 19214 6146 1 8 . 1 1 570 570 SER N N 570 113.882 113.882 114.950 -1.068 19214 6147 1 8 . 1 1 570 570 SER HA H 570 4.145 4.145 3.994 0.151 19214 6148 1 8 . 1 1 570 570 SER C C 570 177.181 177.181 177.010 0.171 19214 6149 1 8 . 1 1 570 570 SER CA C 570 61.933 61.933 62.200 -0.267 19214 6150 1 8 . 1 1 570 570 SER CB C 570 63.049 63.049 62.600 0.449 19214 6151 1 8 . 1 1 570 570 SER H H 570 8.979 8.979 8.673 0.306 19214 6152 1 8 . 1 1 571 571 GLU N N 571 123.710 123.710 121.440 2.270 19214 6153 1 8 . 1 1 571 571 GLU HA H 571 4.146 4.146 4.033 0.113 19214 6154 1 8 . 1 1 571 571 GLU C C 571 179.006 179.006 179.151 -0.145 19214 6155 1 8 . 1 1 571 571 GLU CA C 571 59.437 59.437 58.952 0.485 19214 6156 1 8 . 1 1 571 571 GLU CB C 571 29.269 29.269 29.284 -0.015 19214 6157 1 8 . 1 1 571 571 GLU H H 571 8.282 8.282 7.964 0.318 19214 6158 1 8 . 1 1 572 572 LEU N N 572 123.115 123.115 120.907 2.208 19214 6159 1 8 . 1 1 572 572 LEU HA H 572 4.030 4.030 3.957 0.073 19214 6160 1 8 . 1 1 572 572 LEU C C 572 178.204 178.204 178.274 -0.070 19214 6161 1 8 . 1 1 572 572 LEU CA C 572 58.186 58.186 57.876 0.310 19214 6162 1 8 . 1 1 572 572 LEU CB C 572 41.303 41.303 41.568 -0.265 19214 6163 1 8 . 1 1 572 572 LEU H H 572 7.722 7.722 7.420 0.302 19214 6164 1 8 . 1 1 573 573 ALA N N 573 120.384 120.384 120.305 0.079 19214 6165 1 8 . 1 1 573 573 ALA HA H 573 3.703 3.703 3.858 -0.155 19214 6166 1 8 . 1 1 573 573 ALA C C 573 180.276 180.276 179.578 0.698 19214 6167 1 8 . 1 1 573 573 ALA CA C 573 55.577 55.577 54.718 0.859 19214 6168 1 8 . 1 1 573 573 ALA CB C 573 19.090 19.090 17.980 1.110 19214 6169 1 8 . 1 1 573 573 ALA H H 573 7.701 7.701 7.225 0.476 19214 6170 1 8 . 1 1 574 574 SER N N 574 116.150 116.150 113.219 2.931 19214 6171 1 8 . 1 1 574 574 SER HA H 574 4.373 4.373 4.090 0.283 19214 6172 1 8 . 1 1 574 574 SER C C 574 177.259 177.259 176.478 0.781 19214 6173 1 8 . 1 1 574 574 SER CA C 574 61.851 61.851 60.832 1.019 19214 6174 1 8 . 1 1 574 574 SER CB C 574 62.460 62.460 63.028 -0.568 19214 6175 1 8 . 1 1 574 574 SER H H 574 8.679 8.679 8.123 0.556 19214 6176 1 8 . 1 1 575 575 THR N N 575 120.316 120.316 116.830 3.486 19214 6177 1 8 . 1 1 575 575 THR HA H 575 3.985 3.985 4.025 -0.040 19214 6178 1 8 . 1 1 575 575 THR C C 575 177.023 177.023 176.563 0.460 19214 6179 1 8 . 1 1 575 575 THR CA C 575 66.859 66.859 66.415 0.444 19214 6180 1 8 . 1 1 575 575 THR CB C 575 68.370 68.370 68.344 0.026 19214 6181 1 8 . 1 1 575 575 THR H H 575 8.685 8.685 7.753 0.932 19214 6182 1 8 . 1 1 576 576 GLY N N 576 107.996 107.996 109.430 -1.434 19214 6183 1 8 . 1 1 576 576 GLY C C 576 174.096 174.096 175.932 -1.836 19214 6184 1 8 . 1 1 576 576 GLY CA C 576 47.730 47.730 47.262 0.468 19214 6185 1 8 . 1 1 576 576 GLY H H 576 8.565 8.565 7.788 0.777 19214 6186 1 8 . 1 1 577 577 SER N N 577 118.026 118.026 118.104 -0.078 19214 6187 1 8 . 1 1 577 577 SER HA H 577 3.840 3.840 3.991 -0.151 19214 6188 1 8 . 1 1 577 577 SER CA C 577 63.146 63.146 61.863 1.283 19214 6189 1 8 . 1 1 577 577 SER H H 577 8.425 8.425 7.418 1.007 19214 6190 1 8 . 1 1 578 578 LEU HA H 578 3.700 3.700 4.007 -0.307 19214 6191 1 8 . 1 1 578 578 LEU C C 578 179.316 179.316 179.102 0.214 19214 6192 1 8 . 1 1 578 578 LEU CA C 578 57.995 57.995 57.646 0.349 19214 6193 1 8 . 1 1 578 578 LEU CB C 578 41.739 41.739 41.385 0.354 19214 6194 1 8 . 1 1 579 579 VAL N N 579 122.330 122.330 118.172 4.158 19214 6195 1 8 . 1 1 579 579 VAL CB C 579 31.123 31.123 31.209 -0.086 19214 6196 1 8 . 1 1 579 579 VAL H H 579 8.773 8.773 7.082 1.691 19214 6197 1 8 . 1 1 584 584 HIS HA H 584 4.332 4.332 4.231 0.101 19214 6198 1 8 . 1 1 584 584 HIS C C 584 177.320 177.320 177.499 -0.179 19214 6199 1 8 . 1 1 584 584 HIS CA C 584 59.034 59.034 59.672 -0.638 19214 6200 1 8 . 1 1 584 584 HIS CB C 584 29.981 29.981 29.542 0.439 19214 6201 1 8 . 1 1 585 585 PHE N N 585 118.557 118.557 119.466 -0.909 19214 6202 1 8 . 1 1 585 585 PHE HA H 585 4.316 4.316 4.167 0.149 19214 6203 1 8 . 1 1 585 585 PHE C C 585 178.195 178.195 176.899 1.296 19214 6204 1 8 . 1 1 585 585 PHE CA C 585 60.326 60.326 61.424 -1.098 19214 6205 1 8 . 1 1 585 585 PHE CB C 585 38.773 38.773 39.267 -0.494 19214 6206 1 8 . 1 1 585 585 PHE H H 585 8.065 8.065 7.378 0.687 19214 6207 1 8 . 1 1 586 586 LEU N N 586 121.964 121.964 119.842 2.122 19214 6208 1 8 . 1 1 586 586 LEU HA H 586 4.060 4.060 3.774 0.286 19214 6209 1 8 . 1 1 586 586 LEU C C 586 178.863 178.863 179.096 -0.233 19214 6210 1 8 . 1 1 586 586 LEU CA C 586 57.423 57.423 58.400 -0.977 19214 6211 1 8 . 1 1 586 586 LEU CB C 586 42.042 42.042 41.504 0.538 19214 6212 1 8 . 1 1 586 586 LEU H H 586 8.153 8.153 8.777 -0.624 19214 6213 1 8 . 1 1 587 587 GLU N N 587 119.163 119.163 118.644 0.519 19214 6214 1 8 . 1 1 587 587 GLU HA H 587 4.016 4.016 3.857 0.159 19214 6215 1 8 . 1 1 587 587 GLU C C 587 178.330 178.330 179.281 -0.951 19214 6216 1 8 . 1 1 587 587 GLU CA C 587 58.475 58.475 59.569 -1.094 19214 6217 1 8 . 1 1 587 587 GLU CB C 587 29.825 29.825 29.260 0.565 19214 6218 1 8 . 1 1 587 587 GLU H H 587 8.234 8.234 8.673 -0.439 19214 6219 1 8 . 1 1 588 588 GLN N N 588 118.390 118.390 118.235 0.155 19214 6220 1 8 . 1 1 588 588 GLN HA H 588 4.136 4.136 4.031 0.105 19214 6221 1 8 . 1 1 588 588 GLN C C 588 177.452 177.452 178.666 -1.214 19214 6222 1 8 . 1 1 588 588 GLN CA C 588 57.188 57.188 58.014 -0.826 19214 6223 1 8 . 1 1 588 588 GLN CB C 588 28.932 28.932 28.332 0.600 19214 6224 1 8 . 1 1 588 588 GLN H H 588 8.003 8.003 7.498 0.505 19214 6225 1 8 . 1 1 589 589 THR N N 589 115.070 115.070 116.949 -1.879 19214 6226 1 8 . 1 1 589 589 THR HA H 589 4.136 4.136 3.715 0.421 19214 6227 1 8 . 1 1 589 589 THR C C 589 175.620 175.620 175.896 -0.276 19214 6228 1 8 . 1 1 589 589 THR CA C 589 63.840 63.840 66.106 -2.267 19214 6229 1 8 . 1 1 589 589 THR CB C 589 69.380 69.380 68.376 1.004 19214 6230 1 8 . 1 1 589 589 THR H H 589 7.957 7.957 8.056 -0.099 19214 6231 1 8 . 1 1 590 590 ILE N N 590 122.655 122.655 119.976 2.679 19214 6232 1 8 . 1 1 590 590 ILE HA H 590 3.926 3.926 3.685 0.241 19214 6233 1 8 . 1 1 590 590 ILE C C 590 176.914 176.914 177.789 -0.875 19214 6234 1 8 . 1 1 590 590 ILE CA C 590 62.663 62.663 64.700 -2.037 19214 6235 1 8 . 1 1 590 590 ILE CB C 590 38.222 38.222 37.796 0.426 19214 6236 1 8 . 1 1 590 590 ILE H H 590 7.985 7.985 7.957 0.028 19214 6237 1 8 . 1 1 591 591 ALA N N 591 125.105 125.105 122.148 2.957 19214 6238 1 8 . 1 1 591 591 ALA HA H 591 4.181 4.181 4.116 0.065 19214 6239 1 8 . 1 1 591 591 ALA C C 591 178.466 178.466 178.453 0.013 19214 6240 1 8 . 1 1 591 591 ALA CA C 591 53.502 53.502 54.818 -1.316 19214 6241 1 8 . 1 1 591 591 ALA CB C 591 18.788 18.788 17.959 0.829 19214 6242 1 8 . 1 1 591 591 ALA H H 591 8.086 8.086 7.677 0.409 19214 6243 1 8 . 1 1 592 592 SER N N 592 113.591 113.591 113.568 0.023 19214 6244 1 8 . 1 1 592 592 SER HA H 592 4.298 4.298 4.284 0.014 19214 6245 1 8 . 1 1 592 592 SER C C 592 174.886 174.886 174.181 0.705 19214 6246 1 8 . 1 1 592 592 SER CA C 592 58.939 58.939 59.629 -0.690 19214 6247 1 8 . 1 1 592 592 SER CB C 592 63.738 63.738 63.256 0.482 19214 6248 1 8 . 1 1 592 592 SER H H 592 7.957 7.957 7.686 0.271 19214 6249 1 9 . 1 1 431 431 ALA HA H 431 4.315 4.315 4.343 -0.028 19214 6250 1 9 . 1 1 431 431 ALA C C 431 177.643 177.643 177.079 0.564 19214 6251 1 9 . 1 1 431 431 ALA CA C 431 52.380 52.380 51.918 0.462 19214 6252 1 9 . 1 1 431 431 ALA CB C 431 19.190 19.190 18.954 0.236 19214 6253 1 9 . 1 1 432 432 VAL N N 432 120.312 120.312 120.331 -0.019 19214 6254 1 9 . 1 1 432 432 VAL HA H 432 4.019 4.019 3.384 0.635 19214 6255 1 9 . 1 1 432 432 VAL C C 432 175.763 175.763 176.846 -1.083 19214 6256 1 9 . 1 1 432 432 VAL CA C 432 62.234 62.234 63.757 -1.523 19214 6257 1 9 . 1 1 432 432 VAL CB C 432 33.009 33.009 31.141 1.868 19214 6258 1 9 . 1 1 432 432 VAL H H 432 8.178 8.178 8.198 -0.020 19214 6259 1 9 . 1 1 433 433 GLN N N 433 124.379 124.379 113.546 10.833 19214 6260 1 9 . 1 1 433 433 GLN CB C 433 29.519 29.519 27.138 2.381 19214 6261 1 9 . 1 1 433 433 GLN H H 433 8.502 8.502 8.631 -0.129 19214 6262 1 9 . 1 1 435 435 SER HA H 435 4.069 4.069 4.234 -0.165 19214 6263 1 9 . 1 1 435 435 SER C C 435 178.994 178.994 176.018 2.976 19214 6264 1 9 . 1 1 435 435 SER CA C 435 60.511 60.511 60.891 -0.380 19214 6265 1 9 . 1 1 435 435 SER CB C 435 62.860 62.860 62.227 0.633 19214 6266 1 9 . 1 1 436 436 GLU N N 436 119.753 119.753 118.806 0.947 19214 6267 1 9 . 1 1 436 436 GLU HA H 436 4.293 4.293 4.336 -0.043 19214 6268 1 9 . 1 1 436 436 GLU C C 436 176.644 176.644 175.603 1.041 19214 6269 1 9 . 1 1 436 436 GLU CA C 436 56.016 56.016 55.226 0.790 19214 6270 1 9 . 1 1 436 436 GLU CB C 436 30.335 30.335 29.256 1.079 19214 6271 1 9 . 1 1 436 436 GLU H H 436 7.805 7.805 8.268 -0.463 19214 6272 1 9 . 1 1 437 437 LEU N N 437 120.618 120.618 121.151 -0.533 19214 6273 1 9 . 1 1 437 437 LEU HA H 437 4.150 4.150 4.207 -0.057 19214 6274 1 9 . 1 1 437 437 LEU CA C 437 55.497 55.497 55.685 -0.188 19214 6275 1 9 . 1 1 437 437 LEU CB C 437 43.460 43.460 41.966 1.494 19214 6276 1 9 . 1 1 437 437 LEU H H 437 7.352 7.352 7.303 0.049 19214 6277 1 9 . 1 1 440 440 ARG HA H 440 3.240 3.240 3.965 -0.725 19214 6278 1 9 . 1 1 440 440 ARG C C 440 175.895 175.895 177.897 -2.002 19214 6279 1 9 . 1 1 440 440 ARG CA C 440 60.040 60.040 59.515 0.525 19214 6280 1 9 . 1 1 440 440 ARG CB C 440 30.218 30.218 30.592 -0.374 19214 6281 1 9 . 1 1 441 441 GLN N N 441 117.761 117.761 116.982 0.779 19214 6282 1 9 . 1 1 441 441 GLN HA H 441 3.894 3.894 4.302 -0.408 19214 6283 1 9 . 1 1 441 441 GLN C C 441 177.959 177.959 178.171 -0.212 19214 6284 1 9 . 1 1 441 441 GLN CA C 441 58.904 58.904 58.903 0.001 19214 6285 1 9 . 1 1 441 441 GLN CB C 441 27.387 27.387 28.038 -0.651 19214 6286 1 9 . 1 1 441 441 GLN H H 441 8.075 8.075 8.792 -0.717 19214 6287 1 9 . 1 1 442 442 ALA N N 442 120.325 120.325 123.563 -3.238 19214 6288 1 9 . 1 1 442 442 ALA HA H 442 4.142 4.142 4.107 0.035 19214 6289 1 9 . 1 1 442 442 ALA C C 442 181.535 181.535 179.835 1.700 19214 6290 1 9 . 1 1 442 442 ALA CA C 442 54.843 54.843 55.155 -0.312 19214 6291 1 9 . 1 1 442 442 ALA CB C 442 18.746 18.746 17.817 0.930 19214 6292 1 9 . 1 1 442 442 ALA H H 442 7.859 7.859 7.469 0.390 19214 6293 1 9 . 1 1 443 443 ILE N N 443 120.878 120.878 115.011 5.867 19214 6294 1 9 . 1 1 443 443 ILE HA H 443 3.412 3.412 3.645 -0.233 19214 6295 1 9 . 1 1 443 443 ILE C C 443 177.554 177.554 177.490 0.064 19214 6296 1 9 . 1 1 443 443 ILE CA C 443 65.839 65.839 64.455 1.384 19214 6297 1 9 . 1 1 443 443 ILE CB C 443 37.236 37.236 37.158 0.078 19214 6298 1 9 . 1 1 443 443 ILE H H 443 7.668 7.668 7.362 0.306 19214 6299 1 9 . 1 1 444 444 PHE N N 444 119.157 119.157 120.300 -1.143 19214 6300 1 9 . 1 1 444 444 PHE HA H 444 4.364 4.364 4.181 0.183 19214 6301 1 9 . 1 1 444 444 PHE C C 444 178.054 178.054 177.862 0.192 19214 6302 1 9 . 1 1 444 444 PHE CA C 444 58.952 58.952 61.525 -2.573 19214 6303 1 9 . 1 1 444 444 PHE CB C 444 37.948 37.948 38.857 -0.909 19214 6304 1 9 . 1 1 444 444 PHE H H 444 8.128 8.128 7.330 0.798 19214 6305 1 9 . 1 1 445 445 GLU N N 445 116.382 116.382 118.582 -2.200 19214 6306 1 9 . 1 1 445 445 GLU HA H 445 3.985 3.985 4.099 -0.114 19214 6307 1 9 . 1 1 445 445 GLU C C 445 179.563 179.563 179.652 -0.089 19214 6308 1 9 . 1 1 445 445 GLU CA C 445 59.156 59.156 59.601 -0.445 19214 6309 1 9 . 1 1 445 445 GLU CB C 445 29.177 29.177 29.092 0.085 19214 6310 1 9 . 1 1 445 445 GLU H H 445 8.711 8.711 9.131 -0.420 19214 6311 1 9 . 1 1 446 446 THR N N 446 118.118 118.118 116.992 1.126 19214 6312 1 9 . 1 1 446 446 THR HA H 446 4.066 4.066 4.061 0.005 19214 6313 1 9 . 1 1 446 446 THR C C 446 175.861 175.861 176.416 -0.555 19214 6314 1 9 . 1 1 446 446 THR CA C 446 67.041 67.041 66.329 0.712 19214 6315 1 9 . 1 1 446 446 THR CB C 446 68.218 68.218 68.790 -0.571 19214 6316 1 9 . 1 1 446 446 THR H H 446 8.105 8.105 7.858 0.247 19214 6317 1 9 . 1 1 447 447 LEU N N 447 121.874 121.874 121.789 0.085 19214 6318 1 9 . 1 1 447 447 LEU HA H 447 3.852 3.852 3.854 -0.002 19214 6319 1 9 . 1 1 447 447 LEU C C 447 179.512 179.512 178.652 0.860 19214 6320 1 9 . 1 1 447 447 LEU CA C 447 58.956 58.956 58.150 0.806 19214 6321 1 9 . 1 1 447 447 LEU CB C 447 42.493 42.493 41.278 1.215 19214 6322 1 9 . 1 1 447 447 LEU H H 447 8.552 8.552 7.461 1.091 19214 6323 1 9 . 1 1 448 448 VAL N N 448 108.313 108.313 118.001 -9.688 19214 6324 1 9 . 1 1 448 448 VAL HA H 448 4.039 4.039 3.678 0.361 19214 6325 1 9 . 1 1 448 448 VAL C C 448 177.323 177.323 176.934 0.389 19214 6326 1 9 . 1 1 448 448 VAL CA C 448 64.562 64.562 65.926 -1.364 19214 6327 1 9 . 1 1 448 448 VAL CB C 448 30.055 30.055 31.787 -1.732 19214 6328 1 9 . 1 1 448 448 VAL H H 448 7.695 7.695 7.563 0.132 19214 6329 1 9 . 1 1 449 449 ALA N N 449 124.683 124.683 122.069 2.614 19214 6330 1 9 . 1 1 449 449 ALA HA H 449 4.246 4.246 4.000 0.246 19214 6331 1 9 . 1 1 449 449 ALA C C 449 181.275 181.275 179.828 1.447 19214 6332 1 9 . 1 1 449 449 ALA CA C 449 55.054 55.054 55.322 -0.268 19214 6333 1 9 . 1 1 449 449 ALA CB C 449 18.528 18.528 18.081 0.448 19214 6334 1 9 . 1 1 449 449 ALA H H 449 7.421 7.421 7.672 -0.251 19214 6335 1 9 . 1 1 450 450 LYS N N 450 118.092 118.092 118.511 -0.419 19214 6336 1 9 . 1 1 450 450 LYS HA H 450 4.170 4.170 4.222 -0.052 19214 6337 1 9 . 1 1 450 450 LYS C C 450 180.083 180.083 179.478 0.605 19214 6338 1 9 . 1 1 450 450 LYS CA C 450 58.219 58.219 58.974 -0.755 19214 6339 1 9 . 1 1 450 450 LYS CB C 450 31.697 31.697 32.609 -0.912 19214 6340 1 9 . 1 1 450 450 LYS H H 450 8.806 8.806 8.021 0.785 19214 6341 1 9 . 1 1 451 451 GLY N N 451 108.217 108.217 108.412 -0.195 19214 6342 1 9 . 1 1 451 451 GLY C C 451 173.724 173.724 175.997 -2.273 19214 6343 1 9 . 1 1 451 451 GLY CA C 451 47.965 47.965 47.643 0.322 19214 6344 1 9 . 1 1 451 451 GLY H H 451 8.816 8.816 8.695 0.121 19214 6345 1 9 . 1 1 452 452 ARG N N 452 122.310 122.310 120.076 2.234 19214 6346 1 9 . 1 1 452 452 ARG HA H 452 4.100 4.100 3.936 0.164 19214 6347 1 9 . 1 1 452 452 ARG C C 452 178.908 178.908 177.732 1.176 19214 6348 1 9 . 1 1 452 452 ARG CA C 452 60.504 60.504 59.259 1.245 19214 6349 1 9 . 1 1 452 452 ARG CB C 452 30.208 30.208 29.696 0.512 19214 6350 1 9 . 1 1 452 452 ARG H H 452 8.190 8.190 8.140 0.050 19214 6351 1 9 . 1 1 453 453 GLU N N 453 119.749 119.749 119.104 0.645 19214 6352 1 9 . 1 1 453 453 GLU HA H 453 4.076 4.076 4.169 -0.093 19214 6353 1 9 . 1 1 453 453 GLU C C 453 178.638 178.638 178.731 -0.093 19214 6354 1 9 . 1 1 453 453 GLU CA C 453 58.999 58.999 58.687 0.312 19214 6355 1 9 . 1 1 453 453 GLU CB C 453 30.188 30.188 29.858 0.330 19214 6356 1 9 . 1 1 453 453 GLU H H 453 7.872 7.872 7.452 0.420 19214 6357 1 9 . 1 1 454 454 LEU N N 454 119.235 119.235 119.026 0.209 19214 6358 1 9 . 1 1 454 454 LEU HA H 454 4.157 4.157 4.097 0.060 19214 6359 1 9 . 1 1 454 454 LEU C C 454 178.446 178.446 178.728 -0.282 19214 6360 1 9 . 1 1 454 454 LEU CA C 454 57.868 57.868 57.830 0.038 19214 6361 1 9 . 1 1 454 454 LEU CB C 454 43.001 43.001 42.535 0.466 19214 6362 1 9 . 1 1 454 454 LEU H H 454 8.275 8.275 8.371 -0.096 19214 6363 1 9 . 1 1 455 455 LEU N N 455 112.983 112.983 115.697 -2.714 19214 6364 1 9 . 1 1 455 455 LEU HA H 455 4.406 4.406 4.160 0.246 19214 6365 1 9 . 1 1 455 455 LEU C C 455 177.047 177.047 176.884 0.163 19214 6366 1 9 . 1 1 455 455 LEU CA C 455 54.730 54.730 55.701 -0.971 19214 6367 1 9 . 1 1 455 455 LEU CB C 455 43.848 43.848 42.323 1.525 19214 6368 1 9 . 1 1 455 455 LEU H H 455 7.393 7.393 8.450 -1.057 19214 6369 1 9 . 1 1 456 456 ALA N N 456 124.090 124.090 116.862 7.228 19214 6370 1 9 . 1 1 456 456 ALA HA H 456 4.239 4.239 4.068 0.171 19214 6371 1 9 . 1 1 456 456 ALA C C 456 177.010 177.010 177.347 -0.337 19214 6372 1 9 . 1 1 456 456 ALA CA C 456 52.955 52.955 52.627 0.328 19214 6373 1 9 . 1 1 456 456 ALA CB C 456 16.479 16.479 16.453 0.026 19214 6374 1 9 . 1 1 456 456 ALA H H 456 8.567 8.567 7.661 0.906 19214 6375 1 9 . 1 1 457 457 CYS N N 457 111.388 111.388 116.253 -4.865 19214 6376 1 9 . 1 1 457 457 CYS HA H 457 5.658 5.658 4.523 1.135 19214 6377 1 9 . 1 1 457 457 CYS C C 457 173.094 173.094 174.963 -1.869 19214 6378 1 9 . 1 1 457 457 CYS CA C 457 54.770 54.770 58.611 -3.841 19214 6379 1 9 . 1 1 457 457 CYS CB C 457 29.803 29.803 29.426 0.377 19214 6380 1 9 . 1 1 457 457 CYS H H 457 6.942 6.942 7.679 -0.737 19214 6381 1 9 . 1 1 458 458 ASP N N 458 117.058 117.058 119.269 -2.211 19214 6382 1 9 . 1 1 458 458 ASP HA H 458 4.808 4.808 4.799 0.009 19214 6383 1 9 . 1 1 458 458 ASP C C 458 175.313 175.313 175.167 0.146 19214 6384 1 9 . 1 1 458 458 ASP CA C 458 57.780 57.780 54.494 3.286 19214 6385 1 9 . 1 1 458 458 ASP CB C 458 42.699 42.699 42.974 -0.275 19214 6386 1 9 . 1 1 458 458 ASP H H 458 7.157 7.157 8.364 -1.207 19214 6387 1 9 . 1 1 459 459 ARG N N 459 117.570 117.570 116.574 0.996 19214 6388 1 9 . 1 1 459 459 ARG HA H 459 5.396 5.396 4.748 0.648 19214 6389 1 9 . 1 1 459 459 ARG C C 459 174.465 174.465 174.258 0.207 19214 6390 1 9 . 1 1 459 459 ARG CA C 459 55.628 55.628 55.457 0.171 19214 6391 1 9 . 1 1 459 459 ARG CB C 459 35.127 35.127 34.648 0.479 19214 6392 1 9 . 1 1 459 459 ARG H H 459 7.946 7.946 7.531 0.415 19214 6393 1 9 . 1 1 460 460 VAL N N 460 126.878 126.878 120.268 6.610 19214 6394 1 9 . 1 1 460 460 VAL HA H 460 5.410 5.410 4.642 0.768 19214 6395 1 9 . 1 1 460 460 VAL C C 460 174.698 174.698 173.936 0.762 19214 6396 1 9 . 1 1 460 460 VAL CA C 460 61.229 61.229 62.007 -0.778 19214 6397 1 9 . 1 1 460 460 VAL CB C 460 35.335 35.335 36.365 -1.030 19214 6398 1 9 . 1 1 460 460 VAL H H 460 9.200 9.200 9.071 0.129 19214 6399 1 9 . 1 1 461 461 ILE N N 461 120.070 120.070 124.395 -4.325 19214 6400 1 9 . 1 1 461 461 ILE HA H 461 5.198 5.198 4.740 0.458 19214 6401 1 9 . 1 1 461 461 ILE C C 461 174.647 174.647 173.553 1.094 19214 6402 1 9 . 1 1 461 461 ILE CA C 461 59.112 59.112 59.590 -0.478 19214 6403 1 9 . 1 1 461 461 ILE CB C 461 42.959 42.959 42.408 0.551 19214 6404 1 9 . 1 1 461 461 ILE H H 461 9.247 9.247 8.722 0.525 19214 6405 1 9 . 1 1 462 462 VAL N N 462 118.676 118.676 127.301 -8.625 19214 6406 1 9 . 1 1 462 462 VAL HA H 462 4.668 4.668 4.467 0.201 19214 6407 1 9 . 1 1 462 462 VAL C C 462 173.970 173.970 174.394 -0.424 19214 6408 1 9 . 1 1 462 462 VAL CA C 462 61.528 61.528 61.089 0.439 19214 6409 1 9 . 1 1 462 462 VAL CB C 462 33.865 33.865 32.917 0.948 19214 6410 1 9 . 1 1 462 462 VAL H H 462 7.400 7.400 8.988 -1.588 19214 6411 1 9 . 1 1 463 463 TYR N N 463 131.551 131.551 125.592 5.959 19214 6412 1 9 . 1 1 463 463 TYR HA H 463 4.937 4.937 5.478 -0.541 19214 6413 1 9 . 1 1 463 463 TYR C C 463 173.196 173.196 172.631 0.565 19214 6414 1 9 . 1 1 463 463 TYR CA C 463 55.589 55.589 55.697 -0.108 19214 6415 1 9 . 1 1 463 463 TYR CB C 463 41.849 41.849 42.372 -0.523 19214 6416 1 9 . 1 1 463 463 TYR H H 463 8.782 8.782 7.881 0.901 19214 6417 1 9 . 1 1 464 464 ALA N N 464 127.436 127.436 123.196 4.240 19214 6418 1 9 . 1 1 464 464 ALA HA H 464 4.418 4.418 4.280 0.138 19214 6419 1 9 . 1 1 464 464 ALA C C 464 175.095 175.095 174.636 0.459 19214 6420 1 9 . 1 1 464 464 ALA CA C 464 50.422 50.422 49.731 0.691 19214 6421 1 9 . 1 1 464 464 ALA CB C 464 22.676 22.676 22.556 0.120 19214 6422 1 9 . 1 1 464 464 ALA H H 464 8.295 8.295 7.961 0.334 19214 6423 1 9 . 1 1 465 465 PHE N N 465 116.385 116.385 119.243 -2.858 19214 6424 1 9 . 1 1 465 465 PHE HA H 465 4.434 4.434 4.767 -0.333 19214 6425 1 9 . 1 1 465 465 PHE C C 465 176.189 176.189 175.919 0.270 19214 6426 1 9 . 1 1 465 465 PHE CA C 465 56.771 56.771 58.512 -1.741 19214 6427 1 9 . 1 1 465 465 PHE CB C 465 42.082 42.082 38.869 3.213 19214 6428 1 9 . 1 1 465 465 PHE H H 465 7.426 7.426 8.786 -1.360 19214 6429 1 9 . 1 1 466 466 ASP N N 466 121.980 121.980 124.622 -2.642 19214 6430 1 9 . 1 1 466 466 ASP HA H 466 4.765 4.765 4.472 0.293 19214 6431 1 9 . 1 1 466 466 ASP C C 466 178.212 178.212 176.991 1.221 19214 6432 1 9 . 1 1 466 466 ASP CA C 466 52.007 52.007 53.366 -1.359 19214 6433 1 9 . 1 1 466 466 ASP CB C 466 41.201 41.201 42.241 -1.040 19214 6434 1 9 . 1 1 466 466 ASP H H 466 8.012 8.012 7.964 0.048 19214 6435 1 9 . 1 1 467 467 ASP N N 467 116.915 116.915 118.768 -1.853 19214 6436 1 9 . 1 1 467 467 ASP HA H 467 4.146 4.146 4.403 -0.257 19214 6437 1 9 . 1 1 467 467 ASP C C 467 176.189 176.189 175.046 1.143 19214 6438 1 9 . 1 1 467 467 ASP CA C 467 56.172 56.172 54.737 1.435 19214 6439 1 9 . 1 1 467 467 ASP CB C 467 40.189 40.189 40.372 -0.183 19214 6440 1 9 . 1 1 467 467 ASP H H 467 8.335 8.335 8.544 -0.209 19214 6441 1 9 . 1 1 468 468 ASN N N 468 116.918 116.918 116.936 -0.018 19214 6442 1 9 . 1 1 468 468 ASN HA H 468 4.689 4.689 4.405 0.284 19214 6443 1 9 . 1 1 468 468 ASN C C 468 174.068 174.068 174.606 -0.538 19214 6444 1 9 . 1 1 468 468 ASN CA C 468 52.711 52.711 51.903 0.808 19214 6445 1 9 . 1 1 468 468 ASN CB C 468 39.418 39.418 38.138 1.280 19214 6446 1 9 . 1 1 468 468 ASN H H 468 8.237 8.237 7.740 0.497 19214 6447 1 9 . 1 1 469 469 TYR N N 469 113.180 113.180 115.617 -2.437 19214 6448 1 9 . 1 1 469 469 TYR HA H 469 3.614 3.614 3.954 -0.340 19214 6449 1 9 . 1 1 469 469 TYR C C 469 173.766 173.766 174.369 -0.603 19214 6450 1 9 . 1 1 469 469 TYR CA C 469 60.636 60.636 58.726 1.910 19214 6451 1 9 . 1 1 469 469 TYR CB C 469 34.697 34.697 35.388 -0.691 19214 6452 1 9 . 1 1 469 469 TYR H H 469 7.975 7.975 7.273 0.702 19214 6453 1 9 . 1 1 470 470 VAL N N 470 120.871 120.871 118.321 2.550 19214 6454 1 9 . 1 1 470 470 VAL HA H 470 4.100 4.100 4.413 -0.313 19214 6455 1 9 . 1 1 470 470 VAL CA C 470 63.555 63.555 60.012 3.543 19214 6456 1 9 . 1 1 470 470 VAL CB C 470 31.054 31.054 34.069 -3.015 19214 6457 1 9 . 1 1 470 470 VAL H H 470 8.354 8.354 7.603 0.751 19214 6458 1 9 . 1 1 474 474 VAL HA H 474 4.288 4.288 3.721 0.567 19214 6459 1 9 . 1 1 474 474 VAL C C 474 175.489 175.489 175.759 -0.270 19214 6460 1 9 . 1 1 474 474 VAL CA C 474 61.669 61.669 63.337 -1.669 19214 6461 1 9 . 1 1 474 474 VAL CB C 474 32.382 32.382 32.136 0.245 19214 6462 1 9 . 1 1 475 475 ALA N N 475 118.920 118.920 117.792 1.128 19214 6463 1 9 . 1 1 475 475 ALA HA H 475 4.552 4.552 4.720 -0.168 19214 6464 1 9 . 1 1 475 475 ALA C C 475 174.363 174.363 174.518 -0.155 19214 6465 1 9 . 1 1 475 475 ALA CA C 475 52.023 52.023 51.121 0.902 19214 6466 1 9 . 1 1 475 475 ALA CB C 475 23.339 23.339 21.898 1.441 19214 6467 1 9 . 1 1 475 475 ALA H H 475 7.321 7.321 7.261 0.060 19214 6468 1 9 . 1 1 476 476 GLU N N 476 121.933 121.933 122.785 -0.852 19214 6469 1 9 . 1 1 476 476 GLU HA H 476 5.128 5.128 4.801 0.327 19214 6470 1 9 . 1 1 476 476 GLU C C 476 173.921 173.921 175.092 -1.171 19214 6471 1 9 . 1 1 476 476 GLU CA C 476 55.372 55.372 54.962 0.410 19214 6472 1 9 . 1 1 476 476 GLU CB C 476 35.144 35.144 33.506 1.638 19214 6473 1 9 . 1 1 476 476 GLU H H 476 8.969 8.969 8.701 0.268 19214 6474 1 9 . 1 1 477 477 SER N N 477 121.397 121.397 121.907 -0.510 19214 6475 1 9 . 1 1 477 477 SER HA H 477 4.855 4.855 4.953 -0.098 19214 6476 1 9 . 1 1 477 477 SER C C 477 173.315 173.315 172.945 0.370 19214 6477 1 9 . 1 1 477 477 SER CA C 477 56.600 56.600 57.419 -0.820 19214 6478 1 9 . 1 1 477 477 SER CB C 477 64.022 64.022 65.045 -1.023 19214 6479 1 9 . 1 1 477 477 SER H H 477 9.069 9.069 9.257 -0.188 19214 6480 1 9 . 1 1 478 478 VAL N N 478 128.194 128.194 121.473 6.721 19214 6481 1 9 . 1 1 478 478 VAL HA H 478 5.287 5.287 4.515 0.772 19214 6482 1 9 . 1 1 478 478 VAL C C 478 173.093 173.093 175.078 -1.985 19214 6483 1 9 . 1 1 478 478 VAL CA C 478 58.849 58.849 59.934 -1.085 19214 6484 1 9 . 1 1 478 478 VAL CB C 478 35.764 35.764 34.337 1.427 19214 6485 1 9 . 1 1 478 478 VAL H H 478 9.081 9.081 8.357 0.724 19214 6486 1 9 . 1 1 479 479 ALA N N 479 129.566 129.566 129.714 -0.148 19214 6487 1 9 . 1 1 479 479 ALA HA H 479 4.358 4.358 4.377 -0.019 19214 6488 1 9 . 1 1 479 479 ALA C C 479 176.760 176.760 177.292 -0.532 19214 6489 1 9 . 1 1 479 479 ALA CA C 479 52.215 52.215 52.224 -0.009 19214 6490 1 9 . 1 1 479 479 ALA CB C 479 20.082 20.082 19.708 0.374 19214 6491 1 9 . 1 1 479 479 ALA H H 479 8.688 8.688 8.378 0.310 19214 6492 1 9 . 1 1 480 480 GLU N N 480 120.391 120.391 119.298 1.093 19214 6493 1 9 . 1 1 480 480 GLU HA H 480 4.011 4.011 4.089 -0.078 19214 6494 1 9 . 1 1 480 480 GLU C C 480 177.201 177.201 177.382 -0.181 19214 6495 1 9 . 1 1 480 480 GLU CA C 480 58.178 58.178 57.834 0.344 19214 6496 1 9 . 1 1 480 480 GLU CB C 480 29.829 29.829 29.739 0.090 19214 6497 1 9 . 1 1 480 480 GLU H H 480 8.531 8.531 8.502 0.029 19214 6498 1 9 . 1 1 481 481 GLY N N 481 110.913 110.913 110.986 -0.073 19214 6499 1 9 . 1 1 481 481 GLY C C 481 174.000 174.000 174.207 -0.207 19214 6500 1 9 . 1 1 481 481 GLY CA C 481 44.644 44.644 44.319 0.325 19214 6501 1 9 . 1 1 481 481 GLY H H 481 8.557 8.557 8.700 -0.143 19214 6502 1 9 . 1 1 482 482 TRP N N 482 119.571 119.571 122.716 -3.145 19214 6503 1 9 . 1 1 482 482 TRP HA H 482 5.200 5.200 5.003 0.197 19214 6504 1 9 . 1 1 482 482 TRP CA C 482 53.641 53.641 54.374 -0.733 19214 6505 1 9 . 1 1 482 482 TRP CB C 482 29.556 29.556 29.518 0.038 19214 6506 1 9 . 1 1 482 482 TRP H H 482 7.066 7.066 7.173 -0.107 19214 6507 1 9 . 1 1 484 484 GLN CB C 484 28.700 28.700 29.085 -0.385 19214 6508 1 9 . 1 1 485 485 ALA HA H 485 4.021 4.021 4.184 -0.163 19214 6509 1 9 . 1 1 485 485 ALA C C 485 180.181 180.181 179.048 1.133 19214 6510 1 9 . 1 1 485 485 ALA CA C 485 55.328 55.328 54.255 1.073 19214 6511 1 9 . 1 1 485 485 ALA CB C 485 18.537 18.537 18.800 -0.263 19214 6512 1 9 . 1 1 486 486 ARG N N 486 114.901 114.901 118.541 -3.640 19214 6513 1 9 . 1 1 486 486 ARG HA H 486 4.104 4.104 4.034 0.070 19214 6514 1 9 . 1 1 486 486 ARG C C 486 176.165 176.165 176.785 -0.620 19214 6515 1 9 . 1 1 486 486 ARG CA C 486 58.068 58.068 58.839 -0.771 19214 6516 1 9 . 1 1 486 486 ARG CB C 486 29.624 29.624 29.869 -0.245 19214 6517 1 9 . 1 1 486 486 ARG H H 486 8.998 8.998 7.735 1.263 19214 6518 1 9 . 1 1 487 487 ASP N N 487 117.227 117.227 116.660 0.567 19214 6519 1 9 . 1 1 487 487 ASP HA H 487 4.724 4.724 4.584 0.140 19214 6520 1 9 . 1 1 487 487 ASP C C 487 175.859 175.859 176.416 -0.557 19214 6521 1 9 . 1 1 487 487 ASP CA C 487 54.873 54.873 55.661 -0.788 19214 6522 1 9 . 1 1 487 487 ASP CB C 487 41.415 41.415 41.075 0.340 19214 6523 1 9 . 1 1 487 487 ASP H H 487 7.424 7.424 7.868 -0.444 19214 6524 1 9 . 1 1 488 488 GLN N N 488 117.558 117.558 119.111 -1.553 19214 6525 1 9 . 1 1 488 488 GLN HA H 488 4.471 4.471 4.483 -0.012 19214 6526 1 9 . 1 1 488 488 GLN C C 488 175.010 175.010 174.957 0.053 19214 6527 1 9 . 1 1 488 488 GLN CA C 488 54.037 54.037 55.001 -0.964 19214 6528 1 9 . 1 1 488 488 GLN CB C 488 29.989 29.989 30.155 -0.166 19214 6529 1 9 . 1 1 488 488 GLN H H 488 7.548 7.548 8.161 -0.613 19214 6530 1 9 . 1 1 489 489 VAL N N 489 122.991 122.991 124.911 -1.920 19214 6531 1 9 . 1 1 489 489 VAL HA H 489 4.102 4.102 4.135 -0.033 19214 6532 1 9 . 1 1 489 489 VAL C C 489 175.471 175.471 175.756 -0.285 19214 6533 1 9 . 1 1 489 489 VAL CA C 489 62.947 62.947 61.348 1.599 19214 6534 1 9 . 1 1 489 489 VAL CB C 489 31.473 31.473 32.611 -1.138 19214 6535 1 9 . 1 1 489 489 VAL H H 489 8.426 8.426 8.511 -0.085 19214 6536 1 9 . 1 1 490 490 ILE N N 490 128.401 128.401 129.198 -0.797 19214 6537 1 9 . 1 1 490 490 ILE HA H 490 4.310 4.310 3.800 0.510 19214 6538 1 9 . 1 1 490 490 ILE H H 490 8.474 8.474 8.468 0.006 19214 6539 1 9 . 1 1 491 491 GLU HA H 491 4.361 4.361 4.208 0.153 19214 6540 1 9 . 1 1 491 491 GLU C C 491 174.175 174.175 176.987 -2.812 19214 6541 1 9 . 1 1 491 491 GLU CA C 491 54.874 54.874 57.179 -2.305 19214 6542 1 9 . 1 1 491 491 GLU CB C 491 31.063 31.063 29.808 1.256 19214 6543 1 9 . 1 1 492 492 ASP N N 492 117.270 117.270 121.680 -4.410 19214 6544 1 9 . 1 1 492 492 ASP HA H 492 4.730 4.730 4.608 0.122 19214 6545 1 9 . 1 1 492 492 ASP CA C 492 52.914 52.914 52.315 0.599 19214 6546 1 9 . 1 1 492 492 ASP CB C 492 44.223 44.223 41.308 2.915 19214 6547 1 9 . 1 1 492 492 ASP H H 492 6.870 6.870 7.798 -0.928 19214 6548 1 9 . 1 1 493 493 PRO C C 493 178.700 178.700 177.323 1.377 19214 6549 1 9 . 1 1 493 493 PRO CA C 493 63.429 63.429 63.641 -0.212 19214 6550 1 9 . 1 1 493 493 PRO CB C 493 32.064 32.064 33.096 -1.032 19214 6551 1 9 . 1 1 494 494 CYS N N 494 121.800 121.800 113.615 8.185 19214 6552 1 9 . 1 1 494 494 CYS H H 494 8.010 8.010 8.083 -0.073 19214 6553 1 9 . 1 1 495 495 PHE CB C 495 36.800 36.800 39.441 -2.641 19214 6554 1 9 . 1 1 500 500 VAL C C 500 177.132 177.132 177.494 -0.362 19214 6555 1 9 . 1 1 501 501 GLU N N 501 117.783 117.783 118.964 -1.181 19214 6556 1 9 . 1 1 501 501 GLU C C 501 178.329 178.329 178.018 0.311 19214 6557 1 9 . 1 1 501 501 GLU H H 501 8.169 8.169 7.506 0.663 19214 6558 1 9 . 1 1 502 502 ALA N N 502 120.877 120.877 121.159 -0.282 19214 6559 1 9 . 1 1 502 502 ALA HA H 502 3.976 3.976 3.669 0.307 19214 6560 1 9 . 1 1 502 502 ALA C C 502 181.216 181.216 179.115 2.101 19214 6561 1 9 . 1 1 502 502 ALA CA C 502 55.113 55.113 54.488 0.625 19214 6562 1 9 . 1 1 502 502 ALA CB C 502 17.660 17.660 17.089 0.571 19214 6563 1 9 . 1 1 502 502 ALA H H 502 7.982 7.982 7.510 0.472 19214 6564 1 9 . 1 1 503 503 TYR N N 503 116.217 116.217 116.241 -0.024 19214 6565 1 9 . 1 1 503 503 TYR HA H 503 4.440 4.440 4.241 0.199 19214 6566 1 9 . 1 1 503 503 TYR C C 503 178.488 178.488 178.629 -0.141 19214 6567 1 9 . 1 1 503 503 TYR CA C 503 62.517 62.517 59.485 3.032 19214 6568 1 9 . 1 1 503 503 TYR CB C 503 38.834 38.834 37.876 0.958 19214 6569 1 9 . 1 1 503 503 TYR H H 503 7.310 7.310 6.890 0.420 19214 6570 1 9 . 1 1 504 504 ARG N N 504 122.384 122.384 120.585 1.799 19214 6571 1 9 . 1 1 504 504 ARG HA H 504 3.748 3.748 3.886 -0.138 19214 6572 1 9 . 1 1 504 504 ARG C C 504 177.207 177.207 177.427 -0.220 19214 6573 1 9 . 1 1 504 504 ARG CA C 504 59.734 59.734 59.200 0.534 19214 6574 1 9 . 1 1 504 504 ARG CB C 504 30.200 30.200 29.720 0.480 19214 6575 1 9 . 1 1 504 504 ARG H H 504 8.424 8.424 7.768 0.656 19214 6576 1 9 . 1 1 505 505 GLN N N 505 112.682 112.682 115.489 -2.807 19214 6577 1 9 . 1 1 505 505 GLN HA H 505 4.220 4.220 4.203 0.017 19214 6578 1 9 . 1 1 505 505 GLN C C 505 176.342 176.342 176.402 -0.060 19214 6579 1 9 . 1 1 505 505 GLN CA C 505 55.587 55.587 56.332 -0.745 19214 6580 1 9 . 1 1 505 505 GLN CB C 505 28.591 28.591 29.319 -0.728 19214 6581 1 9 . 1 1 505 505 GLN H H 505 7.436 7.436 7.494 -0.058 19214 6582 1 9 . 1 1 506 506 GLY N N 506 107.068 107.068 108.638 -1.570 19214 6583 1 9 . 1 1 506 506 GLY C C 506 174.202 174.202 174.672 -0.470 19214 6584 1 9 . 1 1 506 506 GLY CA C 506 45.499 45.499 45.651 -0.152 19214 6585 1 9 . 1 1 506 506 GLY H H 506 7.910 7.910 8.241 -0.331 19214 6586 1 9 . 1 1 507 507 ARG N N 507 123.044 123.044 119.738 3.306 19214 6587 1 9 . 1 1 507 507 ARG HA H 507 3.857 3.857 4.128 -0.271 19214 6588 1 9 . 1 1 507 507 ARG C C 507 172.375 172.375 175.007 -2.632 19214 6589 1 9 . 1 1 507 507 ARG CA C 507 57.969 57.969 57.535 0.435 19214 6590 1 9 . 1 1 507 507 ARG CB C 507 30.269 30.269 31.201 -0.932 19214 6591 1 9 . 1 1 507 507 ARG H H 507 7.934 7.934 7.656 0.278 19214 6592 1 9 . 1 1 508 508 ILE N N 508 120.600 120.600 118.079 2.521 19214 6593 1 9 . 1 1 508 508 ILE HA H 508 4.819 4.819 4.354 0.465 19214 6594 1 9 . 1 1 508 508 ILE C C 508 177.238 177.238 174.625 2.613 19214 6595 1 9 . 1 1 508 508 ILE CA C 508 59.801 59.801 60.090 -0.289 19214 6596 1 9 . 1 1 508 508 ILE CB C 508 41.877 41.877 40.472 1.405 19214 6597 1 9 . 1 1 508 508 ILE H H 508 7.572 7.572 8.183 -0.611 19214 6598 1 9 . 1 1 509 509 GLN N N 509 127.676 127.676 125.683 1.993 19214 6599 1 9 . 1 1 509 509 GLN HA H 509 4.761 4.761 4.725 0.036 19214 6600 1 9 . 1 1 509 509 GLN C C 509 172.804 172.804 173.631 -0.827 19214 6601 1 9 . 1 1 509 509 GLN CA C 509 54.158 54.158 54.661 -0.503 19214 6602 1 9 . 1 1 509 509 GLN CB C 509 31.078 31.078 31.730 -0.652 19214 6603 1 9 . 1 1 509 509 GLN H H 509 8.894 8.894 8.382 0.512 19214 6604 1 9 . 1 1 510 510 ALA N N 510 132.910 132.910 130.489 2.421 19214 6605 1 9 . 1 1 510 510 ALA HA H 510 4.912 4.912 4.851 0.061 19214 6606 1 9 . 1 1 510 510 ALA C C 510 175.581 175.581 176.676 -1.095 19214 6607 1 9 . 1 1 510 510 ALA CA C 510 51.180 51.180 51.337 -0.158 19214 6608 1 9 . 1 1 510 510 ALA CB C 510 19.939 19.939 20.678 -0.739 19214 6609 1 9 . 1 1 510 510 ALA H H 510 9.110 9.110 8.755 0.355 19214 6610 1 9 . 1 1 511 511 THR N N 511 123.543 123.543 123.602 -0.059 19214 6611 1 9 . 1 1 511 511 THR HA H 511 4.636 4.636 4.855 -0.219 19214 6612 1 9 . 1 1 511 511 THR C C 511 174.690 174.690 175.323 -0.633 19214 6613 1 9 . 1 1 511 511 THR CA C 511 61.883 61.883 61.613 0.270 19214 6614 1 9 . 1 1 511 511 THR CB C 511 69.826 69.826 70.062 -0.236 19214 6615 1 9 . 1 1 511 511 THR H H 511 9.525 9.525 8.343 1.182 19214 6616 1 9 . 1 1 512 512 THR N N 512 129.502 129.502 115.890 13.612 19214 6617 1 9 . 1 1 512 512 THR HA H 512 4.524 4.524 3.975 0.549 19214 6618 1 9 . 1 1 512 512 THR C C 512 172.791 172.791 173.709 -0.918 19214 6619 1 9 . 1 1 512 512 THR CA C 512 63.974 63.974 64.294 -0.320 19214 6620 1 9 . 1 1 512 512 THR CB C 512 69.199 69.199 69.086 0.113 19214 6621 1 9 . 1 1 512 512 THR H H 512 9.024 9.024 8.871 0.153 19214 6622 1 9 . 1 1 513 513 ASP N N 513 113.203 113.203 116.370 -3.167 19214 6623 1 9 . 1 1 513 513 ASP HA H 513 4.891 4.891 4.776 0.115 19214 6624 1 9 . 1 1 513 513 ASP C C 513 179.282 179.282 175.743 3.539 19214 6625 1 9 . 1 1 513 513 ASP CA C 513 51.637 51.637 53.296 -1.659 19214 6626 1 9 . 1 1 513 513 ASP CB C 513 42.591 42.591 42.218 0.373 19214 6627 1 9 . 1 1 513 513 ASP H H 513 7.263 7.263 7.811 -0.548 19214 6628 1 9 . 1 1 514 514 ILE N N 514 122.554 122.554 121.076 1.478 19214 6629 1 9 . 1 1 514 514 ILE HA H 514 3.595 3.595 3.902 -0.307 19214 6630 1 9 . 1 1 514 514 ILE C C 514 175.984 175.984 176.558 -0.574 19214 6631 1 9 . 1 1 514 514 ILE CA C 514 64.552 64.552 62.747 1.805 19214 6632 1 9 . 1 1 514 514 ILE CB C 514 37.796 37.796 37.609 0.187 19214 6633 1 9 . 1 1 514 514 ILE H H 514 9.465 9.465 8.760 0.705 19214 6634 1 9 . 1 1 515 515 PHE N N 515 117.573 117.573 117.585 -0.012 19214 6635 1 9 . 1 1 515 515 PHE HA H 515 4.399 4.399 4.244 0.155 19214 6636 1 9 . 1 1 515 515 PHE C C 515 176.347 176.347 176.242 0.105 19214 6637 1 9 . 1 1 515 515 PHE CA C 515 59.346 59.346 59.938 -0.592 19214 6638 1 9 . 1 1 515 515 PHE CB C 515 37.709 37.709 38.635 -0.926 19214 6639 1 9 . 1 1 515 515 PHE H H 515 7.804 7.804 8.406 -0.602 19214 6640 1 9 . 1 1 516 516 LYS N N 516 118.690 118.690 117.280 1.410 19214 6641 1 9 . 1 1 516 516 LYS HA H 516 4.692 4.692 4.442 0.250 19214 6642 1 9 . 1 1 516 516 LYS C C 516 175.821 175.821 175.626 0.195 19214 6643 1 9 . 1 1 516 516 LYS CA C 516 54.851 54.851 55.422 -0.571 19214 6644 1 9 . 1 1 516 516 LYS CB C 516 33.855 33.855 31.861 1.994 19214 6645 1 9 . 1 1 516 516 LYS H H 516 7.559 7.559 7.648 -0.089 19214 6646 1 9 . 1 1 517 517 ALA N N 517 121.471 121.471 121.372 0.099 19214 6647 1 9 . 1 1 517 517 ALA HA H 517 4.530 4.530 4.514 0.016 19214 6648 1 9 . 1 1 517 517 ALA CA C 517 52.124 52.124 51.538 0.586 19214 6649 1 9 . 1 1 517 517 ALA CB C 517 20.974 20.974 20.789 0.185 19214 6650 1 9 . 1 1 517 517 ALA H H 517 7.219 7.219 7.240 -0.021 19214 6651 1 9 . 1 1 518 518 GLY C C 518 175.423 175.423 174.564 0.859 19214 6652 1 9 . 1 1 518 518 GLY CA C 518 46.692 46.692 45.282 1.410 19214 6653 1 9 . 1 1 519 519 LEU N N 519 119.857 119.857 117.878 1.979 19214 6654 1 9 . 1 1 519 519 LEU HA H 519 4.348 4.348 4.101 0.247 19214 6655 1 9 . 1 1 519 519 LEU C C 519 177.704 177.704 177.818 -0.114 19214 6656 1 9 . 1 1 519 519 LEU CA C 519 54.535 54.535 55.289 -0.754 19214 6657 1 9 . 1 1 519 519 LEU CB C 519 41.174 41.174 42.041 -0.867 19214 6658 1 9 . 1 1 519 519 LEU H H 519 8.531 8.531 7.724 0.807 19214 6659 1 9 . 1 1 520 520 THR N N 520 113.386 113.386 107.442 5.944 19214 6660 1 9 . 1 1 520 520 THR HA H 520 4.260 4.260 3.938 0.322 19214 6661 1 9 . 1 1 520 520 THR CA C 520 61.653 61.653 63.081 -1.428 19214 6662 1 9 . 1 1 520 520 THR CB C 520 71.260 71.260 67.894 3.366 19214 6663 1 9 . 1 1 520 520 THR H H 520 9.352 9.352 8.312 1.040 19214 6664 1 9 . 1 1 522 522 CYS HA H 522 4.385 4.385 4.483 -0.098 19214 6665 1 9 . 1 1 522 522 CYS C C 522 175.903 175.903 174.377 1.526 19214 6666 1 9 . 1 1 522 522 CYS CA C 522 58.664 58.664 58.057 0.607 19214 6667 1 9 . 1 1 522 522 CYS CB C 522 31.785 31.785 26.276 5.509 19214 6668 1 9 . 1 1 523 523 HIS N N 523 125.416 125.416 120.769 4.647 19214 6669 1 9 . 1 1 523 523 HIS HA H 523 4.430 4.430 4.396 0.034 19214 6670 1 9 . 1 1 523 523 HIS C C 523 178.292 178.292 176.242 2.050 19214 6671 1 9 . 1 1 523 523 HIS CA C 523 55.874 55.874 56.371 -0.497 19214 6672 1 9 . 1 1 523 523 HIS CB C 523 33.792 33.792 30.651 3.142 19214 6673 1 9 . 1 1 523 523 HIS H H 523 7.210 7.210 7.805 -0.595 19214 6674 1 9 . 1 1 524 524 LEU N N 524 120.382 120.382 120.498 -0.116 19214 6675 1 9 . 1 1 524 524 LEU HA H 524 3.447 3.447 3.591 -0.144 19214 6676 1 9 . 1 1 524 524 LEU C C 524 179.772 179.772 178.133 1.639 19214 6677 1 9 . 1 1 524 524 LEU CA C 524 58.643 58.643 58.579 0.064 19214 6678 1 9 . 1 1 524 524 LEU CB C 524 41.395 41.395 40.971 0.424 19214 6679 1 9 . 1 1 524 524 LEU H H 524 8.407 8.407 8.576 -0.169 19214 6680 1 9 . 1 1 525 525 ASN N N 525 115.617 115.617 117.451 -1.834 19214 6681 1 9 . 1 1 525 525 ASN HA H 525 4.474 4.474 4.399 0.075 19214 6682 1 9 . 1 1 525 525 ASN C C 525 176.493 176.493 176.648 -0.155 19214 6683 1 9 . 1 1 525 525 ASN CA C 525 55.154 55.154 55.823 -0.669 19214 6684 1 9 . 1 1 525 525 ASN CB C 525 38.056 38.056 38.063 -0.007 19214 6685 1 9 . 1 1 525 525 ASN H H 525 8.540 8.540 8.265 0.275 19214 6686 1 9 . 1 1 526 526 GLN N N 526 116.828 116.828 115.487 1.341 19214 6687 1 9 . 1 1 526 526 GLN HA H 526 4.004 4.004 4.352 -0.348 19214 6688 1 9 . 1 1 526 526 GLN C C 526 175.549 175.549 177.202 -1.653 19214 6689 1 9 . 1 1 526 526 GLN CA C 526 57.483 57.483 56.832 0.651 19214 6690 1 9 . 1 1 526 526 GLN CB C 526 29.433 29.433 29.987 -0.554 19214 6691 1 9 . 1 1 526 526 GLN H H 526 7.492 7.492 7.829 -0.337 19214 6692 1 9 . 1 1 527 527 LEU N N 527 115.200 115.200 119.808 -4.608 19214 6693 1 9 . 1 1 527 527 LEU HA H 527 4.064 4.064 4.429 -0.365 19214 6694 1 9 . 1 1 527 527 LEU C C 527 178.808 178.808 177.518 1.290 19214 6695 1 9 . 1 1 527 527 LEU CA C 527 55.460 55.460 56.563 -1.103 19214 6696 1 9 . 1 1 527 527 LEU CB C 527 43.643 43.643 42.737 0.906 19214 6697 1 9 . 1 1 527 527 LEU H H 527 6.803 6.803 8.251 -1.448 19214 6698 1 9 . 1 1 528 528 ARG N N 528 121.174 121.174 120.587 0.587 19214 6699 1 9 . 1 1 528 528 ARG HA H 528 4.230 4.230 4.406 -0.176 19214 6700 1 9 . 1 1 528 528 ARG CA C 528 61.240 61.240 60.015 1.225 19214 6701 1 9 . 1 1 528 528 ARG CB C 528 28.670 28.670 27.839 0.831 19214 6702 1 9 . 1 1 528 528 ARG H H 528 8.763 8.763 8.591 0.172 19214 6703 1 9 . 1 1 529 529 PRO HA H 529 4.397 4.397 4.255 0.142 19214 6704 1 9 . 1 1 529 529 PRO C C 529 176.672 176.672 177.277 -0.605 19214 6705 1 9 . 1 1 529 529 PRO CA C 529 65.693 65.693 65.532 0.161 19214 6706 1 9 . 1 1 529 529 PRO CB C 529 30.983 30.983 31.070 -0.087 19214 6707 1 9 . 1 1 530 530 LEU N N 530 112.952 112.952 113.774 -0.822 19214 6708 1 9 . 1 1 530 530 LEU HA H 530 4.198 4.198 4.199 -0.001 19214 6709 1 9 . 1 1 530 530 LEU C C 530 176.746 176.746 176.643 0.103 19214 6710 1 9 . 1 1 530 530 LEU CA C 530 53.564 53.564 54.949 -1.385 19214 6711 1 9 . 1 1 530 530 LEU CB C 530 42.143 42.143 41.594 0.549 19214 6712 1 9 . 1 1 530 530 LEU H H 530 6.762 6.762 7.861 -1.099 19214 6713 1 9 . 1 1 531 531 LYS N N 531 114.491 114.491 113.446 1.045 19214 6714 1 9 . 1 1 531 531 LYS HA H 531 3.921 3.921 3.987 -0.066 19214 6715 1 9 . 1 1 531 531 LYS C C 531 173.427 173.427 175.699 -2.272 19214 6716 1 9 . 1 1 531 531 LYS CA C 531 56.732 56.732 56.806 -0.075 19214 6717 1 9 . 1 1 531 531 LYS CB C 531 28.329 28.329 29.711 -1.382 19214 6718 1 9 . 1 1 531 531 LYS H H 531 8.319 8.319 7.812 0.507 19214 6719 1 9 . 1 1 532 532 VAL N N 532 114.641 114.641 113.863 0.778 19214 6720 1 9 . 1 1 532 532 VAL HA H 532 2.631 2.631 3.925 -1.294 19214 6721 1 9 . 1 1 532 532 VAL C C 532 174.660 174.660 175.321 -0.661 19214 6722 1 9 . 1 1 532 532 VAL CA C 532 65.644 65.644 63.034 2.610 19214 6723 1 9 . 1 1 532 532 VAL CB C 532 32.120 32.120 30.778 1.342 19214 6724 1 9 . 1 1 532 532 VAL H H 532 6.295 6.295 7.225 -0.930 19214 6725 1 9 . 1 1 533 533 ARG N N 533 120.970 120.970 125.353 -4.383 19214 6726 1 9 . 1 1 533 533 ARG HA H 533 4.473 4.473 4.370 0.103 19214 6727 1 9 . 1 1 533 533 ARG C C 533 173.734 173.734 175.592 -1.858 19214 6728 1 9 . 1 1 533 533 ARG CA C 533 55.062 55.062 56.864 -1.802 19214 6729 1 9 . 1 1 533 533 ARG CB C 533 30.163 30.163 31.072 -0.909 19214 6730 1 9 . 1 1 533 533 ARG H H 533 8.446 8.446 8.163 0.283 19214 6731 1 9 . 1 1 534 534 ALA N N 534 123.443 123.443 119.152 4.291 19214 6732 1 9 . 1 1 534 534 ALA HA H 534 4.842 4.842 4.778 0.064 19214 6733 1 9 . 1 1 534 534 ALA C C 534 176.821 176.821 175.302 1.519 19214 6734 1 9 . 1 1 534 534 ALA CA C 534 51.093 51.093 50.635 0.458 19214 6735 1 9 . 1 1 534 534 ALA CB C 534 24.474 24.474 22.250 2.224 19214 6736 1 9 . 1 1 534 534 ALA H H 534 8.477 8.477 7.460 1.017 19214 6737 1 9 . 1 1 535 535 ASN N N 535 121.981 121.981 121.299 0.682 19214 6738 1 9 . 1 1 535 535 ASN HA H 535 5.709 5.709 5.144 0.565 19214 6739 1 9 . 1 1 535 535 ASN C C 535 171.453 171.453 172.983 -1.530 19214 6740 1 9 . 1 1 535 535 ASN CA C 535 52.188 52.188 52.872 -0.684 19214 6741 1 9 . 1 1 535 535 ASN CB C 535 44.081 44.081 42.552 1.529 19214 6742 1 9 . 1 1 535 535 ASN H H 535 8.910 8.910 8.642 0.268 19214 6743 1 9 . 1 1 536 536 LEU N N 536 132.341 132.341 127.410 4.931 19214 6744 1 9 . 1 1 536 536 LEU HA H 536 5.104 5.104 4.372 0.732 19214 6745 1 9 . 1 1 536 536 LEU C C 536 173.245 173.245 173.978 -0.733 19214 6746 1 9 . 1 1 536 536 LEU CA C 536 53.812 53.812 53.441 0.371 19214 6747 1 9 . 1 1 536 536 LEU CB C 536 41.977 41.977 44.509 -2.532 19214 6748 1 9 . 1 1 536 536 LEU H H 536 9.242 9.242 7.609 1.633 19214 6749 1 9 . 1 1 537 537 VAL N N 537 126.829 126.829 125.742 1.087 19214 6750 1 9 . 1 1 537 537 VAL HA H 537 4.580 4.580 4.818 -0.238 19214 6751 1 9 . 1 1 537 537 VAL C C 537 174.764 174.764 174.522 0.242 19214 6752 1 9 . 1 1 537 537 VAL CA C 537 61.450 61.450 60.167 1.282 19214 6753 1 9 . 1 1 537 537 VAL CB C 537 35.260 35.260 36.053 -0.793 19214 6754 1 9 . 1 1 537 537 VAL H H 537 9.258 9.258 8.489 0.769 19214 6755 1 9 . 1 1 538 538 VAL N N 538 120.280 120.280 118.631 1.649 19214 6756 1 9 . 1 1 538 538 VAL HA H 538 5.240 5.240 4.728 0.512 19214 6757 1 9 . 1 1 538 538 VAL CA C 538 56.785 56.785 59.184 -2.400 19214 6758 1 9 . 1 1 538 538 VAL CB C 538 33.470 33.470 34.015 -0.545 19214 6759 1 9 . 1 1 538 538 VAL H H 538 8.809 8.809 8.045 0.764 19214 6760 1 9 . 1 1 539 539 PRO HA H 539 4.756 4.756 4.506 0.250 19214 6761 1 9 . 1 1 539 539 PRO C C 539 175.826 175.826 176.514 -0.688 19214 6762 1 9 . 1 1 539 539 PRO CA C 539 62.754 62.754 62.500 0.254 19214 6763 1 9 . 1 1 539 539 PRO CB C 539 34.400 34.400 32.640 1.760 19214 6764 1 9 . 1 1 540 540 MET N N 540 118.724 118.724 121.780 -3.056 19214 6765 1 9 . 1 1 540 540 MET HA H 540 4.397 4.397 4.919 -0.522 19214 6766 1 9 . 1 1 540 540 MET C C 540 173.839 173.839 174.811 -0.972 19214 6767 1 9 . 1 1 540 540 MET CA C 540 55.758 55.758 54.173 1.585 19214 6768 1 9 . 1 1 540 540 MET CB C 540 34.217 34.217 33.003 1.214 19214 6769 1 9 . 1 1 540 540 MET H H 540 8.360 8.360 8.017 0.343 19214 6770 1 9 . 1 1 541 541 VAL N N 541 125.320 125.320 120.326 4.994 19214 6771 1 9 . 1 1 541 541 VAL HA H 541 5.100 5.100 4.819 0.281 19214 6772 1 9 . 1 1 541 541 VAL C C 541 174.569 174.569 174.788 -0.219 19214 6773 1 9 . 1 1 541 541 VAL CA C 541 60.526 60.526 61.371 -0.845 19214 6774 1 9 . 1 1 541 541 VAL CB C 541 34.461 34.461 33.265 1.196 19214 6775 1 9 . 1 1 541 541 VAL H H 541 8.383 8.383 8.338 0.045 19214 6776 1 9 . 1 1 542 542 ILE N N 542 125.677 125.677 124.193 1.484 19214 6777 1 9 . 1 1 542 542 ILE HA H 542 4.256 4.256 4.341 -0.085 19214 6778 1 9 . 1 1 542 542 ILE C C 542 175.815 175.815 175.245 0.570 19214 6779 1 9 . 1 1 542 542 ILE CA C 542 60.441 60.441 59.121 1.320 19214 6780 1 9 . 1 1 542 542 ILE CB C 542 41.219 41.219 39.752 1.467 19214 6781 1 9 . 1 1 542 542 ILE H H 542 8.470 8.470 9.124 -0.654 19214 6782 1 9 . 1 1 543 543 ASP N N 543 130.204 130.204 127.890 2.314 19214 6783 1 9 . 1 1 543 543 ASP HA H 543 4.150 4.150 4.326 -0.176 19214 6784 1 9 . 1 1 543 543 ASP CA C 543 56.014 56.014 55.488 0.526 19214 6785 1 9 . 1 1 543 543 ASP CB C 543 39.515 39.515 39.641 -0.126 19214 6786 1 9 . 1 1 543 543 ASP H H 543 9.650 9.650 8.803 0.847 19214 6787 1 9 . 1 1 544 544 ASP HA H 544 4.180 4.180 4.235 -0.055 19214 6788 1 9 . 1 1 544 544 ASP C C 544 174.473 174.473 175.487 -1.014 19214 6789 1 9 . 1 1 544 544 ASP CA C 544 55.500 55.500 55.452 0.048 19214 6790 1 9 . 1 1 544 544 ASP CB C 544 40.941 40.941 40.601 0.340 19214 6791 1 9 . 1 1 545 545 GLN N N 545 117.251 117.251 117.046 0.205 19214 6792 1 9 . 1 1 545 545 GLN CA C 545 53.533 53.533 54.531 -0.998 19214 6793 1 9 . 1 1 545 545 GLN H H 545 7.868 7.868 7.798 0.070 19214 6794 1 9 . 1 1 546 546 LEU C C 546 174.500 174.500 175.989 -1.489 19214 6795 1 9 . 1 1 547 547 PHE N N 547 130.200 130.200 126.792 3.408 19214 6796 1 9 . 1 1 547 547 PHE HA H 547 4.650 4.650 4.635 0.015 19214 6797 1 9 . 1 1 547 547 PHE C C 547 176.033 176.033 175.315 0.718 19214 6798 1 9 . 1 1 547 547 PHE CA C 547 59.700 59.700 59.056 0.644 19214 6799 1 9 . 1 1 547 547 PHE CB C 547 40.800 40.800 41.554 -0.754 19214 6800 1 9 . 1 1 547 547 PHE H H 547 9.120 9.120 8.221 0.899 19214 6801 1 9 . 1 1 548 548 GLY N N 548 102.705 102.705 103.840 -1.135 19214 6802 1 9 . 1 1 548 548 GLY C C 548 169.494 169.494 171.565 -2.071 19214 6803 1 9 . 1 1 548 548 GLY CA C 548 46.008 46.008 45.025 0.983 19214 6804 1 9 . 1 1 548 548 GLY H H 548 7.939 7.939 7.518 0.421 19214 6805 1 9 . 1 1 549 549 LEU N N 549 118.437 118.437 118.937 -0.500 19214 6806 1 9 . 1 1 549 549 LEU HA H 549 4.870 4.870 4.579 0.291 19214 6807 1 9 . 1 1 549 549 LEU C C 549 173.746 173.746 175.056 -1.310 19214 6808 1 9 . 1 1 549 549 LEU CA C 549 53.108 53.108 54.844 -1.736 19214 6809 1 9 . 1 1 549 549 LEU CB C 549 44.752 44.752 46.048 -1.296 19214 6810 1 9 . 1 1 549 549 LEU H H 549 9.279 9.279 7.761 1.518 19214 6811 1 9 . 1 1 550 550 LEU N N 550 127.359 127.359 124.423 2.936 19214 6812 1 9 . 1 1 550 550 LEU HA H 550 4.881 4.881 4.535 0.346 19214 6813 1 9 . 1 1 550 550 LEU C C 550 174.669 174.669 175.831 -1.162 19214 6814 1 9 . 1 1 550 550 LEU CA C 550 54.216 54.216 54.726 -0.510 19214 6815 1 9 . 1 1 550 550 LEU CB C 550 42.954 42.954 42.130 0.824 19214 6816 1 9 . 1 1 550 550 LEU H H 550 9.068 9.068 7.981 1.087 19214 6817 1 9 . 1 1 551 551 ILE N N 551 126.177 126.177 123.606 2.571 19214 6818 1 9 . 1 1 551 551 ILE HA H 551 5.234 5.234 5.118 0.116 19214 6819 1 9 . 1 1 551 551 ILE C C 551 173.709 173.709 174.586 -0.877 19214 6820 1 9 . 1 1 551 551 ILE CA C 551 59.720 59.720 57.938 1.782 19214 6821 1 9 . 1 1 551 551 ILE CB C 551 42.210 42.210 39.668 2.542 19214 6822 1 9 . 1 1 551 551 ILE H H 551 8.584 8.584 8.018 0.566 19214 6823 1 9 . 1 1 552 552 ALA N N 552 129.345 129.345 128.685 0.660 19214 6824 1 9 . 1 1 552 552 ALA HA H 552 5.194 5.194 4.648 0.546 19214 6825 1 9 . 1 1 552 552 ALA C C 552 175.549 175.549 175.441 0.108 19214 6826 1 9 . 1 1 552 552 ALA CA C 552 49.380 49.380 50.380 -1.000 19214 6827 1 9 . 1 1 552 552 ALA CB C 552 23.712 23.712 21.034 2.678 19214 6828 1 9 . 1 1 552 552 ALA H H 552 9.709 9.709 8.028 1.681 19214 6829 1 9 . 1 1 553 553 HIS N N 553 115.303 115.303 122.531 -7.228 19214 6830 1 9 . 1 1 553 553 HIS HA H 553 6.162 6.162 5.213 0.949 19214 6831 1 9 . 1 1 553 553 HIS C C 553 177.121 177.121 174.597 2.524 19214 6832 1 9 . 1 1 553 553 HIS CA C 553 51.965 51.965 54.620 -2.655 19214 6833 1 9 . 1 1 553 553 HIS CB C 553 36.593 36.593 31.924 4.670 19214 6834 1 9 . 1 1 553 553 HIS H H 553 9.151 9.151 8.198 0.953 19214 6835 1 9 . 1 1 554 554 GLN N N 554 124.107 124.107 124.407 -0.300 19214 6836 1 9 . 1 1 554 554 GLN HA H 554 4.540 4.540 4.375 0.165 19214 6837 1 9 . 1 1 554 554 GLN C C 554 174.320 174.320 175.247 -0.927 19214 6838 1 9 . 1 1 554 554 GLN CA C 554 55.976 55.976 54.881 1.095 19214 6839 1 9 . 1 1 554 554 GLN CB C 554 30.828 30.828 29.356 1.472 19214 6840 1 9 . 1 1 554 554 GLN H H 554 8.647 8.647 8.956 -0.309 19214 6841 1 9 . 1 1 555 555 ALA N N 555 136.582 136.582 131.041 5.541 19214 6842 1 9 . 1 1 555 555 ALA HA H 555 4.617 4.617 4.521 0.096 19214 6843 1 9 . 1 1 555 555 ALA C C 555 177.422 177.422 177.180 0.242 19214 6844 1 9 . 1 1 555 555 ALA CA C 555 52.406 52.406 52.640 -0.234 19214 6845 1 9 . 1 1 555 555 ALA CB C 555 19.553 19.553 18.046 1.507 19214 6846 1 9 . 1 1 555 555 ALA H H 555 11.550 11.550 8.584 2.966 19214 6847 1 9 . 1 1 556 556 SER N N 556 111.945 111.945 112.737 -0.792 19214 6848 1 9 . 1 1 556 556 SER HA H 556 4.044 4.044 4.443 -0.399 19214 6849 1 9 . 1 1 556 556 SER C C 556 174.912 174.912 173.657 1.255 19214 6850 1 9 . 1 1 556 556 SER CA C 556 61.145 61.145 59.567 1.578 19214 6851 1 9 . 1 1 556 556 SER CB C 556 62.905 62.905 64.431 -1.526 19214 6852 1 9 . 1 1 556 556 SER H H 556 8.083 8.083 7.950 0.133 19214 6853 1 9 . 1 1 557 557 GLU N N 557 117.238 117.238 117.779 -0.541 19214 6854 1 9 . 1 1 557 557 GLU CA C 557 53.900 53.900 54.597 -0.697 19214 6855 1 9 . 1 1 557 557 GLU CB C 557 30.171 30.171 29.569 0.602 19214 6856 1 9 . 1 1 557 557 GLU H H 557 7.318 7.318 7.580 -0.262 19214 6857 1 9 . 1 1 558 558 PRO HA H 558 4.194 4.194 4.435 -0.241 19214 6858 1 9 . 1 1 558 558 PRO C C 558 174.855 174.855 175.799 -0.944 19214 6859 1 9 . 1 1 558 558 PRO CA C 558 62.915 62.915 63.012 -0.097 19214 6860 1 9 . 1 1 558 558 PRO CB C 558 32.862 32.862 32.242 0.619 19214 6861 1 9 . 1 1 559 559 ARG N N 559 121.957 121.957 122.345 -0.388 19214 6862 1 9 . 1 1 559 559 ARG HA H 559 3.945 3.945 4.353 -0.408 19214 6863 1 9 . 1 1 559 559 ARG C C 559 171.134 171.134 174.665 -3.531 19214 6864 1 9 . 1 1 559 559 ARG CA C 559 55.538 55.538 54.089 1.449 19214 6865 1 9 . 1 1 559 559 ARG CB C 559 33.169 33.169 31.504 1.665 19214 6866 1 9 . 1 1 559 559 ARG H H 559 7.836 7.836 7.986 -0.150 19214 6867 1 9 . 1 1 560 560 GLN N N 560 126.067 126.067 122.953 3.114 19214 6868 1 9 . 1 1 560 560 GLN HA H 560 4.372 4.372 3.646 0.726 19214 6869 1 9 . 1 1 560 560 GLN C C 560 175.848 175.848 175.075 0.773 19214 6870 1 9 . 1 1 560 560 GLN CA C 560 53.622 53.622 54.590 -0.968 19214 6871 1 9 . 1 1 560 560 GLN CB C 560 27.811 27.811 28.587 -0.776 19214 6872 1 9 . 1 1 560 560 GLN H H 560 8.332 8.332 8.245 0.087 19214 6873 1 9 . 1 1 561 561 TRP N N 561 133.373 133.373 126.653 6.720 19214 6874 1 9 . 1 1 561 561 TRP HA H 561 4.522 4.522 4.482 0.040 19214 6875 1 9 . 1 1 561 561 TRP C C 561 176.141 176.141 176.447 -0.306 19214 6876 1 9 . 1 1 561 561 TRP CA C 561 56.337 56.337 56.846 -0.509 19214 6877 1 9 . 1 1 561 561 TRP CB C 561 28.840 28.840 29.570 -0.730 19214 6878 1 9 . 1 1 561 561 TRP H H 561 7.982 7.982 7.281 0.701 19214 6879 1 9 . 1 1 562 562 GLN N N 562 124.678 124.678 121.480 3.198 19214 6880 1 9 . 1 1 562 562 GLN HA H 562 4.454 4.454 4.525 -0.071 19214 6881 1 9 . 1 1 562 562 GLN C C 562 177.088 177.088 177.013 0.075 19214 6882 1 9 . 1 1 562 562 GLN CA C 562 54.676 54.676 54.599 0.077 19214 6883 1 9 . 1 1 562 562 GLN CB C 562 30.526 30.526 30.700 -0.174 19214 6884 1 9 . 1 1 562 562 GLN H H 562 9.763 9.763 8.493 1.270 19214 6885 1 9 . 1 1 563 563 GLU N N 563 124.545 124.545 126.828 -2.283 19214 6886 1 9 . 1 1 563 563 GLU HA H 563 3.907 3.907 4.012 -0.105 19214 6887 1 9 . 1 1 563 563 GLU C C 563 178.742 178.742 177.770 0.972 19214 6888 1 9 . 1 1 563 563 GLU CA C 563 61.275 61.275 60.620 0.655 19214 6889 1 9 . 1 1 563 563 GLU CB C 563 29.149 29.149 29.617 -0.468 19214 6890 1 9 . 1 1 563 563 GLU H H 563 9.210 9.210 9.084 0.126 19214 6891 1 9 . 1 1 564 564 ILE N N 564 115.275 115.275 118.306 -3.031 19214 6892 1 9 . 1 1 564 564 ILE HA H 564 4.208 4.208 3.995 0.213 19214 6893 1 9 . 1 1 564 564 ILE C C 564 177.462 177.462 178.178 -0.716 19214 6894 1 9 . 1 1 564 564 ILE CA C 564 63.380 63.380 63.443 -0.063 19214 6895 1 9 . 1 1 564 564 ILE CB C 564 37.828 37.828 36.532 1.296 19214 6896 1 9 . 1 1 564 564 ILE H H 564 8.496 8.496 8.183 0.313 19214 6897 1 9 . 1 1 565 565 GLU N N 565 121.174 121.174 120.670 0.504 19214 6898 1 9 . 1 1 565 565 GLU HA H 565 4.009 4.009 4.100 -0.091 19214 6899 1 9 . 1 1 565 565 GLU C C 565 178.217 178.217 179.531 -1.314 19214 6900 1 9 . 1 1 565 565 GLU CA C 565 58.713 58.713 59.865 -1.152 19214 6901 1 9 . 1 1 565 565 GLU CB C 565 29.685 29.685 29.523 0.162 19214 6902 1 9 . 1 1 565 565 GLU H H 565 6.668 6.668 8.350 -1.682 19214 6903 1 9 . 1 1 566 566 ILE N N 566 119.747 119.747 120.899 -1.152 19214 6904 1 9 . 1 1 566 566 ILE HA H 566 3.387 3.387 3.727 -0.340 19214 6905 1 9 . 1 1 566 566 ILE C C 566 178.911 178.911 177.915 0.996 19214 6906 1 9 . 1 1 566 566 ILE CA C 566 66.484 66.484 65.756 0.728 19214 6907 1 9 . 1 1 566 566 ILE CB C 566 38.410 38.410 37.888 0.522 19214 6908 1 9 . 1 1 566 566 ILE H H 566 8.165 8.165 8.809 -0.644 19214 6909 1 9 . 1 1 567 567 ASP N N 567 120.827 120.827 120.378 0.449 19214 6910 1 9 . 1 1 567 567 ASP HA H 567 4.373 4.373 4.376 -0.003 19214 6911 1 9 . 1 1 567 567 ASP C C 567 179.462 179.462 179.218 0.244 19214 6912 1 9 . 1 1 567 567 ASP CA C 567 57.949 57.949 57.700 0.249 19214 6913 1 9 . 1 1 567 567 ASP CB C 567 40.516 40.516 40.104 0.412 19214 6914 1 9 . 1 1 567 567 ASP H H 567 8.574 8.574 7.911 0.663 19214 6915 1 9 . 1 1 568 568 GLN N N 568 118.625 118.625 119.467 -0.842 19214 6916 1 9 . 1 1 568 568 GLN HA H 568 4.140 4.140 4.264 -0.124 19214 6917 1 9 . 1 1 568 568 GLN C C 568 179.204 179.204 178.607 0.597 19214 6918 1 9 . 1 1 568 568 GLN CA C 568 59.294 59.294 58.422 0.872 19214 6919 1 9 . 1 1 568 568 GLN CB C 568 29.558 29.558 29.017 0.541 19214 6920 1 9 . 1 1 568 568 GLN H H 568 8.321 8.321 8.115 0.206 19214 6921 1 9 . 1 1 569 569 PHE N N 569 124.764 124.764 120.891 3.873 19214 6922 1 9 . 1 1 569 569 PHE HA H 569 4.310 4.310 4.198 0.112 19214 6923 1 9 . 1 1 569 569 PHE C C 569 177.387 177.387 177.478 -0.091 19214 6924 1 9 . 1 1 569 569 PHE CA C 569 61.106 61.106 60.551 0.555 19214 6925 1 9 . 1 1 569 569 PHE CB C 569 40.452 40.452 39.109 1.343 19214 6926 1 9 . 1 1 569 569 PHE H H 569 8.999 8.999 8.306 0.693 19214 6927 1 9 . 1 1 570 570 SER N N 570 113.882 113.882 114.666 -0.784 19214 6928 1 9 . 1 1 570 570 SER HA H 570 4.145 4.145 3.926 0.219 19214 6929 1 9 . 1 1 570 570 SER C C 570 177.181 177.181 176.649 0.532 19214 6930 1 9 . 1 1 570 570 SER CA C 570 61.933 61.933 61.802 0.131 19214 6931 1 9 . 1 1 570 570 SER CB C 570 63.049 63.049 62.817 0.232 19214 6932 1 9 . 1 1 570 570 SER H H 570 8.979 8.979 8.550 0.429 19214 6933 1 9 . 1 1 571 571 GLU N N 571 123.710 123.710 122.564 1.146 19214 6934 1 9 . 1 1 571 571 GLU HA H 571 4.146 4.146 3.958 0.188 19214 6935 1 9 . 1 1 571 571 GLU C C 571 179.006 179.006 179.043 -0.037 19214 6936 1 9 . 1 1 571 571 GLU CA C 571 59.437 59.437 59.230 0.207 19214 6937 1 9 . 1 1 571 571 GLU CB C 571 29.269 29.269 29.558 -0.289 19214 6938 1 9 . 1 1 571 571 GLU H H 571 8.282 8.282 7.867 0.415 19214 6939 1 9 . 1 1 572 572 LEU N N 572 123.115 123.115 120.504 2.611 19214 6940 1 9 . 1 1 572 572 LEU HA H 572 4.030 4.030 3.952 0.078 19214 6941 1 9 . 1 1 572 572 LEU C C 572 178.204 178.204 178.205 -0.001 19214 6942 1 9 . 1 1 572 572 LEU CA C 572 58.186 58.186 58.089 0.097 19214 6943 1 9 . 1 1 572 572 LEU CB C 572 41.303 41.303 41.623 -0.320 19214 6944 1 9 . 1 1 572 572 LEU H H 572 7.722 7.722 7.487 0.235 19214 6945 1 9 . 1 1 573 573 ALA N N 573 120.384 120.384 120.156 0.228 19214 6946 1 9 . 1 1 573 573 ALA HA H 573 3.703 3.703 3.870 -0.167 19214 6947 1 9 . 1 1 573 573 ALA C C 573 180.276 180.276 179.659 0.617 19214 6948 1 9 . 1 1 573 573 ALA CA C 573 55.577 55.577 54.841 0.736 19214 6949 1 9 . 1 1 573 573 ALA CB C 573 19.090 19.090 18.251 0.839 19214 6950 1 9 . 1 1 573 573 ALA H H 573 7.701 7.701 7.338 0.363 19214 6951 1 9 . 1 1 574 574 SER N N 574 116.150 116.150 113.216 2.934 19214 6952 1 9 . 1 1 574 574 SER HA H 574 4.373 4.373 4.086 0.287 19214 6953 1 9 . 1 1 574 574 SER C C 574 177.259 177.259 176.482 0.777 19214 6954 1 9 . 1 1 574 574 SER CA C 574 61.851 61.851 61.459 0.392 19214 6955 1 9 . 1 1 574 574 SER CB C 574 62.460 62.460 61.966 0.494 19214 6956 1 9 . 1 1 574 574 SER H H 574 8.679 8.679 8.364 0.315 19214 6957 1 9 . 1 1 575 575 THR N N 575 120.316 120.316 119.179 1.137 19214 6958 1 9 . 1 1 575 575 THR HA H 575 3.985 3.985 3.893 0.092 19214 6959 1 9 . 1 1 575 575 THR C C 575 177.023 177.023 176.614 0.409 19214 6960 1 9 . 1 1 575 575 THR CA C 575 66.859 66.859 67.014 -0.155 19214 6961 1 9 . 1 1 575 575 THR CB C 575 68.370 68.370 68.285 0.085 19214 6962 1 9 . 1 1 575 575 THR H H 575 8.685 8.685 8.119 0.566 19214 6963 1 9 . 1 1 576 576 GLY N N 576 107.996 107.996 108.369 -0.373 19214 6964 1 9 . 1 1 576 576 GLY C C 576 174.096 174.096 175.404 -1.308 19214 6965 1 9 . 1 1 576 576 GLY CA C 576 47.730 47.730 46.817 0.913 19214 6966 1 9 . 1 1 576 576 GLY H H 576 8.565 8.565 7.602 0.963 19214 6967 1 9 . 1 1 577 577 SER N N 577 118.026 118.026 117.594 0.432 19214 6968 1 9 . 1 1 577 577 SER HA H 577 3.840 3.840 3.831 0.009 19214 6969 1 9 . 1 1 577 577 SER CA C 577 63.146 63.146 61.179 1.967 19214 6970 1 9 . 1 1 577 577 SER H H 577 8.425 8.425 7.402 1.023 19214 6971 1 9 . 1 1 578 578 LEU HA H 578 3.700 3.700 3.988 -0.288 19214 6972 1 9 . 1 1 578 578 LEU C C 578 179.316 179.316 179.250 0.066 19214 6973 1 9 . 1 1 578 578 LEU CA C 578 57.995 57.995 57.817 0.178 19214 6974 1 9 . 1 1 578 578 LEU CB C 578 41.739 41.739 41.663 0.076 19214 6975 1 9 . 1 1 579 579 VAL N N 579 122.330 122.330 118.283 4.047 19214 6976 1 9 . 1 1 579 579 VAL CB C 579 31.123 31.123 31.655 -0.533 19214 6977 1 9 . 1 1 579 579 VAL H H 579 8.773 8.773 7.135 1.638 19214 6978 1 9 . 1 1 584 584 HIS HA H 584 4.332 4.332 4.292 0.040 19214 6979 1 9 . 1 1 584 584 HIS C C 584 177.320 177.320 177.369 -0.049 19214 6980 1 9 . 1 1 584 584 HIS CA C 584 59.034 59.034 60.176 -1.142 19214 6981 1 9 . 1 1 584 584 HIS CB C 584 29.981 29.981 29.816 0.165 19214 6982 1 9 . 1 1 585 585 PHE N N 585 118.557 118.557 117.549 1.008 19214 6983 1 9 . 1 1 585 585 PHE HA H 585 4.316 4.316 4.222 0.094 19214 6984 1 9 . 1 1 585 585 PHE C C 585 178.195 178.195 177.440 0.755 19214 6985 1 9 . 1 1 585 585 PHE CA C 585 60.326 60.326 61.596 -1.270 19214 6986 1 9 . 1 1 585 585 PHE CB C 585 38.773 38.773 38.904 -0.131 19214 6987 1 9 . 1 1 585 585 PHE H H 585 8.065 8.065 7.934 0.131 19214 6988 1 9 . 1 1 586 586 LEU N N 586 121.964 121.964 122.783 -0.819 19214 6989 1 9 . 1 1 586 586 LEU HA H 586 4.060 4.060 4.016 0.044 19214 6990 1 9 . 1 1 586 586 LEU C C 586 178.863 178.863 178.726 0.137 19214 6991 1 9 . 1 1 586 586 LEU CA C 586 57.423 57.423 58.221 -0.798 19214 6992 1 9 . 1 1 586 586 LEU CB C 586 42.042 42.042 41.674 0.368 19214 6993 1 9 . 1 1 586 586 LEU H H 586 8.153 8.153 8.771 -0.618 19214 6994 1 9 . 1 1 587 587 GLU N N 587 119.163 119.163 117.007 2.156 19214 6995 1 9 . 1 1 587 587 GLU HA H 587 4.016 4.016 3.843 0.173 19214 6996 1 9 . 1 1 587 587 GLU C C 587 178.330 178.330 179.013 -0.683 19214 6997 1 9 . 1 1 587 587 GLU CA C 587 58.475 58.475 59.352 -0.877 19214 6998 1 9 . 1 1 587 587 GLU CB C 587 29.825 29.825 29.216 0.609 19214 6999 1 9 . 1 1 587 587 GLU H H 587 8.234 8.234 8.608 -0.374 19214 7000 1 9 . 1 1 588 588 GLN N N 588 118.390 118.390 118.754 -0.364 19214 7001 1 9 . 1 1 588 588 GLN HA H 588 4.136 4.136 4.021 0.115 19214 7002 1 9 . 1 1 588 588 GLN C C 588 177.452 177.452 178.953 -1.501 19214 7003 1 9 . 1 1 588 588 GLN CA C 588 57.188 57.188 58.431 -1.243 19214 7004 1 9 . 1 1 588 588 GLN CB C 588 28.932 28.932 28.386 0.546 19214 7005 1 9 . 1 1 588 588 GLN H H 588 8.003 8.003 7.436 0.567 19214 7006 1 9 . 1 1 589 589 THR N N 589 115.070 115.070 113.119 1.951 19214 7007 1 9 . 1 1 589 589 THR HA H 589 4.136 4.136 4.062 0.074 19214 7008 1 9 . 1 1 589 589 THR C C 589 175.620 175.620 176.836 -1.216 19214 7009 1 9 . 1 1 589 589 THR CA C 589 63.840 63.840 65.438 -1.598 19214 7010 1 9 . 1 1 589 589 THR CB C 589 69.380 69.380 68.675 0.705 19214 7011 1 9 . 1 1 589 589 THR H H 589 7.957 7.957 8.368 -0.411 19214 7012 1 9 . 1 1 590 590 ILE N N 590 122.655 122.655 121.898 0.757 19214 7013 1 9 . 1 1 590 590 ILE HA H 590 3.926 3.926 3.848 0.078 19214 7014 1 9 . 1 1 590 590 ILE C C 590 176.914 176.914 177.831 -0.917 19214 7015 1 9 . 1 1 590 590 ILE CA C 590 62.663 62.663 64.074 -1.411 19214 7016 1 9 . 1 1 590 590 ILE CB C 590 38.222 38.222 37.778 0.444 19214 7017 1 9 . 1 1 590 590 ILE H H 590 7.985 7.985 7.826 0.159 19214 7018 1 9 . 1 1 591 591 ALA N N 591 125.105 125.105 123.062 2.043 19214 7019 1 9 . 1 1 591 591 ALA HA H 591 4.181 4.181 4.163 0.018 19214 7020 1 9 . 1 1 591 591 ALA C C 591 178.466 178.466 178.574 -0.108 19214 7021 1 9 . 1 1 591 591 ALA CA C 591 53.502 53.502 54.897 -1.395 19214 7022 1 9 . 1 1 591 591 ALA CB C 591 18.788 18.788 18.249 0.539 19214 7023 1 9 . 1 1 591 591 ALA H H 591 8.086 8.086 7.765 0.321 19214 7024 1 9 . 1 1 592 592 SER N N 592 113.591 113.591 112.864 0.727 19214 7025 1 9 . 1 1 592 592 SER HA H 592 4.298 4.298 4.469 -0.171 19214 7026 1 9 . 1 1 592 592 SER C C 592 174.886 174.886 173.847 1.039 19214 7027 1 9 . 1 1 592 592 SER CA C 592 58.939 58.939 59.371 -0.432 19214 7028 1 9 . 1 1 592 592 SER CB C 592 63.738 63.738 63.515 0.223 19214 7029 1 9 . 1 1 592 592 SER H H 592 7.957 7.957 7.994 -0.037 19214 7030 1 10 . 1 1 431 431 ALA HA H 431 4.315 4.315 4.622 -0.307 19214 7031 1 10 . 1 1 431 431 ALA C C 431 177.643 177.643 176.989 0.654 19214 7032 1 10 . 1 1 431 431 ALA CA C 431 52.380 52.380 52.055 0.325 19214 7033 1 10 . 1 1 431 431 ALA CB C 431 19.190 19.190 19.349 -0.159 19214 7034 1 10 . 1 1 432 432 VAL N N 432 120.312 120.312 123.874 -3.562 19214 7035 1 10 . 1 1 432 432 VAL HA H 432 4.019 4.019 4.108 -0.089 19214 7036 1 10 . 1 1 432 432 VAL C C 432 175.763 175.763 176.977 -1.214 19214 7037 1 10 . 1 1 432 432 VAL CA C 432 62.234 62.234 64.145 -1.911 19214 7038 1 10 . 1 1 432 432 VAL CB C 432 33.009 33.009 32.957 0.052 19214 7039 1 10 . 1 1 432 432 VAL H H 432 8.178 8.178 8.609 -0.431 19214 7040 1 10 . 1 1 433 433 GLN N N 433 124.379 124.379 119.795 4.584 19214 7041 1 10 . 1 1 433 433 GLN CB C 433 29.519 29.519 28.585 0.934 19214 7042 1 10 . 1 1 433 433 GLN H H 433 8.502 8.502 8.494 0.008 19214 7043 1 10 . 1 1 435 435 SER HA H 435 4.069 4.069 4.144 -0.075 19214 7044 1 10 . 1 1 435 435 SER C C 435 178.994 178.994 176.041 2.953 19214 7045 1 10 . 1 1 435 435 SER CA C 435 60.511 60.511 61.208 -0.696 19214 7046 1 10 . 1 1 435 435 SER CB C 435 62.860 62.860 62.840 0.020 19214 7047 1 10 . 1 1 436 436 GLU N N 436 119.753 119.753 119.680 0.073 19214 7048 1 10 . 1 1 436 436 GLU HA H 436 4.293 4.293 4.284 0.009 19214 7049 1 10 . 1 1 436 436 GLU C C 436 176.644 176.644 176.119 0.525 19214 7050 1 10 . 1 1 436 436 GLU CA C 436 56.016 56.016 56.160 -0.144 19214 7051 1 10 . 1 1 436 436 GLU CB C 436 30.335 30.335 29.672 0.663 19214 7052 1 10 . 1 1 436 436 GLU H H 436 7.805 7.805 7.524 0.281 19214 7053 1 10 . 1 1 437 437 LEU N N 437 120.618 120.618 121.101 -0.483 19214 7054 1 10 . 1 1 437 437 LEU HA H 437 4.150 4.150 4.245 -0.095 19214 7055 1 10 . 1 1 437 437 LEU CA C 437 55.497 55.497 55.638 -0.141 19214 7056 1 10 . 1 1 437 437 LEU CB C 437 43.460 43.460 42.138 1.322 19214 7057 1 10 . 1 1 437 437 LEU H H 437 7.352 7.352 7.398 -0.046 19214 7058 1 10 . 1 1 440 440 ARG HA H 440 3.240 3.240 3.982 -0.742 19214 7059 1 10 . 1 1 440 440 ARG C C 440 175.895 175.895 177.780 -1.885 19214 7060 1 10 . 1 1 440 440 ARG CA C 440 60.040 60.040 59.223 0.817 19214 7061 1 10 . 1 1 440 440 ARG CB C 440 30.218 30.218 30.292 -0.074 19214 7062 1 10 . 1 1 441 441 GLN N N 441 117.761 117.761 117.825 -0.064 19214 7063 1 10 . 1 1 441 441 GLN HA H 441 3.894 3.894 4.334 -0.440 19214 7064 1 10 . 1 1 441 441 GLN C C 441 177.959 177.959 178.304 -0.345 19214 7065 1 10 . 1 1 441 441 GLN CA C 441 58.904 58.904 58.866 0.038 19214 7066 1 10 . 1 1 441 441 GLN CB C 441 27.387 27.387 27.994 -0.607 19214 7067 1 10 . 1 1 441 441 GLN H H 441 8.075 8.075 8.778 -0.703 19214 7068 1 10 . 1 1 442 442 ALA N N 442 120.325 120.325 123.699 -3.374 19214 7069 1 10 . 1 1 442 442 ALA HA H 442 4.142 4.142 4.060 0.082 19214 7070 1 10 . 1 1 442 442 ALA C C 442 181.535 181.535 179.635 1.900 19214 7071 1 10 . 1 1 442 442 ALA CA C 442 54.843 54.843 55.404 -0.561 19214 7072 1 10 . 1 1 442 442 ALA CB C 442 18.746 18.746 18.251 0.495 19214 7073 1 10 . 1 1 442 442 ALA H H 442 7.859 7.859 7.717 0.142 19214 7074 1 10 . 1 1 443 443 ILE N N 443 120.878 120.878 114.862 6.016 19214 7075 1 10 . 1 1 443 443 ILE HA H 443 3.412 3.412 3.630 -0.218 19214 7076 1 10 . 1 1 443 443 ILE C C 443 177.554 177.554 177.671 -0.117 19214 7077 1 10 . 1 1 443 443 ILE CA C 443 65.839 65.839 64.456 1.383 19214 7078 1 10 . 1 1 443 443 ILE CB C 443 37.236 37.236 37.251 -0.015 19214 7079 1 10 . 1 1 443 443 ILE H H 443 7.668 7.668 7.333 0.335 19214 7080 1 10 . 1 1 444 444 PHE N N 444 119.157 119.157 120.211 -1.054 19214 7081 1 10 . 1 1 444 444 PHE HA H 444 4.364 4.364 4.198 0.166 19214 7082 1 10 . 1 1 444 444 PHE C C 444 178.054 178.054 177.932 0.122 19214 7083 1 10 . 1 1 444 444 PHE CA C 444 58.952 58.952 61.540 -2.588 19214 7084 1 10 . 1 1 444 444 PHE CB C 444 37.948 37.948 38.839 -0.891 19214 7085 1 10 . 1 1 444 444 PHE H H 444 8.128 8.128 7.577 0.551 19214 7086 1 10 . 1 1 445 445 GLU N N 445 116.382 116.382 118.178 -1.796 19214 7087 1 10 . 1 1 445 445 GLU HA H 445 3.985 3.985 4.120 -0.135 19214 7088 1 10 . 1 1 445 445 GLU C C 445 179.563 179.563 179.657 -0.094 19214 7089 1 10 . 1 1 445 445 GLU CA C 445 59.156 59.156 59.612 -0.456 19214 7090 1 10 . 1 1 445 445 GLU CB C 445 29.177 29.177 29.130 0.047 19214 7091 1 10 . 1 1 445 445 GLU H H 445 8.711 8.711 9.116 -0.405 19214 7092 1 10 . 1 1 446 446 THR N N 446 118.118 118.118 116.730 1.388 19214 7093 1 10 . 1 1 446 446 THR HA H 446 4.066 4.066 4.128 -0.062 19214 7094 1 10 . 1 1 446 446 THR C C 446 175.861 175.861 176.497 -0.636 19214 7095 1 10 . 1 1 446 446 THR CA C 446 67.041 67.041 66.476 0.565 19214 7096 1 10 . 1 1 446 446 THR CB C 446 68.218 68.218 68.697 -0.479 19214 7097 1 10 . 1 1 446 446 THR H H 446 8.105 8.105 7.725 0.380 19214 7098 1 10 . 1 1 447 447 LEU N N 447 121.874 121.874 121.878 -0.004 19214 7099 1 10 . 1 1 447 447 LEU HA H 447 3.852 3.852 3.904 -0.052 19214 7100 1 10 . 1 1 447 447 LEU C C 447 179.512 179.512 179.026 0.486 19214 7101 1 10 . 1 1 447 447 LEU CA C 447 58.956 58.956 58.126 0.831 19214 7102 1 10 . 1 1 447 447 LEU CB C 447 42.493 42.493 41.263 1.230 19214 7103 1 10 . 1 1 447 447 LEU H H 447 8.552 8.552 7.529 1.023 19214 7104 1 10 . 1 1 448 448 VAL N N 448 108.313 108.313 118.515 -10.202 19214 7105 1 10 . 1 1 448 448 VAL HA H 448 4.039 4.039 3.752 0.287 19214 7106 1 10 . 1 1 448 448 VAL C C 448 177.323 177.323 177.351 -0.028 19214 7107 1 10 . 1 1 448 448 VAL CA C 448 64.562 64.562 66.107 -1.545 19214 7108 1 10 . 1 1 448 448 VAL CB C 448 30.055 30.055 31.151 -1.096 19214 7109 1 10 . 1 1 448 448 VAL H H 448 7.695 7.695 7.577 0.118 19214 7110 1 10 . 1 1 449 449 ALA N N 449 124.683 124.683 122.405 2.278 19214 7111 1 10 . 1 1 449 449 ALA HA H 449 4.246 4.246 4.021 0.225 19214 7112 1 10 . 1 1 449 449 ALA C C 449 181.275 181.275 179.922 1.353 19214 7113 1 10 . 1 1 449 449 ALA CA C 449 55.054 55.054 55.295 -0.241 19214 7114 1 10 . 1 1 449 449 ALA CB C 449 18.528 18.528 18.217 0.311 19214 7115 1 10 . 1 1 449 449 ALA H H 449 7.421 7.421 7.436 -0.015 19214 7116 1 10 . 1 1 450 450 LYS N N 450 118.092 118.092 118.364 -0.272 19214 7117 1 10 . 1 1 450 450 LYS HA H 450 4.170 4.170 4.091 0.079 19214 7118 1 10 . 1 1 450 450 LYS C C 450 180.083 180.083 179.122 0.961 19214 7119 1 10 . 1 1 450 450 LYS CA C 450 58.219 58.219 59.234 -1.016 19214 7120 1 10 . 1 1 450 450 LYS CB C 450 31.697 31.697 32.514 -0.817 19214 7121 1 10 . 1 1 450 450 LYS H H 450 8.806 8.806 8.175 0.631 19214 7122 1 10 . 1 1 451 451 GLY N N 451 108.217 108.217 108.367 -0.150 19214 7123 1 10 . 1 1 451 451 GLY C C 451 173.724 173.724 175.923 -2.199 19214 7124 1 10 . 1 1 451 451 GLY CA C 451 47.965 47.965 47.476 0.489 19214 7125 1 10 . 1 1 451 451 GLY H H 451 8.816 8.816 8.778 0.038 19214 7126 1 10 . 1 1 452 452 ARG N N 452 122.310 122.310 121.835 0.475 19214 7127 1 10 . 1 1 452 452 ARG HA H 452 4.100 4.100 3.992 0.108 19214 7128 1 10 . 1 1 452 452 ARG C C 452 178.908 178.908 177.748 1.160 19214 7129 1 10 . 1 1 452 452 ARG CA C 452 60.504 60.504 59.645 0.859 19214 7130 1 10 . 1 1 452 452 ARG CB C 452 30.208 30.208 30.232 -0.024 19214 7131 1 10 . 1 1 452 452 ARG H H 452 8.190 8.190 8.206 -0.016 19214 7132 1 10 . 1 1 453 453 GLU N N 453 119.749 119.749 118.306 1.443 19214 7133 1 10 . 1 1 453 453 GLU HA H 453 4.076 4.076 4.224 -0.148 19214 7134 1 10 . 1 1 453 453 GLU C C 453 178.638 178.638 178.743 -0.105 19214 7135 1 10 . 1 1 453 453 GLU CA C 453 58.999 58.999 58.458 0.541 19214 7136 1 10 . 1 1 453 453 GLU CB C 453 30.188 30.188 29.687 0.501 19214 7137 1 10 . 1 1 453 453 GLU H H 453 7.872 7.872 7.516 0.356 19214 7138 1 10 . 1 1 454 454 LEU N N 454 119.235 119.235 119.093 0.142 19214 7139 1 10 . 1 1 454 454 LEU HA H 454 4.157 4.157 4.112 0.045 19214 7140 1 10 . 1 1 454 454 LEU C C 454 178.446 178.446 178.982 -0.536 19214 7141 1 10 . 1 1 454 454 LEU CA C 454 57.868 57.868 57.933 -0.065 19214 7142 1 10 . 1 1 454 454 LEU CB C 454 43.001 43.001 42.394 0.607 19214 7143 1 10 . 1 1 454 454 LEU H H 454 8.275 8.275 8.502 -0.227 19214 7144 1 10 . 1 1 455 455 LEU N N 455 112.983 112.983 115.017 -2.034 19214 7145 1 10 . 1 1 455 455 LEU HA H 455 4.406 4.406 4.422 -0.016 19214 7146 1 10 . 1 1 455 455 LEU C C 455 177.047 177.047 176.879 0.168 19214 7147 1 10 . 1 1 455 455 LEU CA C 455 54.730 54.730 55.553 -0.823 19214 7148 1 10 . 1 1 455 455 LEU CB C 455 43.848 43.848 42.465 1.383 19214 7149 1 10 . 1 1 455 455 LEU H H 455 7.393 7.393 8.390 -0.997 19214 7150 1 10 . 1 1 456 456 ALA N N 456 124.090 124.090 117.306 6.784 19214 7151 1 10 . 1 1 456 456 ALA HA H 456 4.239 4.239 4.055 0.184 19214 7152 1 10 . 1 1 456 456 ALA C C 456 177.010 177.010 177.190 -0.180 19214 7153 1 10 . 1 1 456 456 ALA CA C 456 52.955 52.955 52.646 0.309 19214 7154 1 10 . 1 1 456 456 ALA CB C 456 16.479 16.479 16.483 -0.004 19214 7155 1 10 . 1 1 456 456 ALA H H 456 8.567 8.567 7.603 0.964 19214 7156 1 10 . 1 1 457 457 CYS N N 457 111.388 111.388 116.726 -5.338 19214 7157 1 10 . 1 1 457 457 CYS HA H 457 5.658 5.658 4.431 1.227 19214 7158 1 10 . 1 1 457 457 CYS C C 457 173.094 173.094 174.658 -1.564 19214 7159 1 10 . 1 1 457 457 CYS CA C 457 54.770 54.770 57.836 -3.066 19214 7160 1 10 . 1 1 457 457 CYS CB C 457 29.803 29.803 29.492 0.311 19214 7161 1 10 . 1 1 457 457 CYS H H 457 6.942 6.942 7.695 -0.753 19214 7162 1 10 . 1 1 458 458 ASP N N 458 117.058 117.058 118.643 -1.585 19214 7163 1 10 . 1 1 458 458 ASP HA H 458 4.808 4.808 4.805 0.003 19214 7164 1 10 . 1 1 458 458 ASP C C 458 175.313 175.313 175.155 0.158 19214 7165 1 10 . 1 1 458 458 ASP CA C 458 57.780 57.780 54.586 3.194 19214 7166 1 10 . 1 1 458 458 ASP CB C 458 42.699 42.699 42.694 0.005 19214 7167 1 10 . 1 1 458 458 ASP H H 458 7.157 7.157 8.439 -1.282 19214 7168 1 10 . 1 1 459 459 ARG N N 459 117.570 117.570 117.362 0.208 19214 7169 1 10 . 1 1 459 459 ARG HA H 459 5.396 5.396 4.654 0.742 19214 7170 1 10 . 1 1 459 459 ARG C C 459 174.465 174.465 173.881 0.584 19214 7171 1 10 . 1 1 459 459 ARG CA C 459 55.628 55.628 55.469 0.159 19214 7172 1 10 . 1 1 459 459 ARG CB C 459 35.127 35.127 33.763 1.364 19214 7173 1 10 . 1 1 459 459 ARG H H 459 7.946 7.946 7.555 0.391 19214 7174 1 10 . 1 1 460 460 VAL N N 460 126.878 126.878 122.527 4.351 19214 7175 1 10 . 1 1 460 460 VAL HA H 460 5.410 5.410 4.458 0.952 19214 7176 1 10 . 1 1 460 460 VAL C C 460 174.698 174.698 173.805 0.893 19214 7177 1 10 . 1 1 460 460 VAL CA C 460 61.229 61.229 61.966 -0.737 19214 7178 1 10 . 1 1 460 460 VAL CB C 460 35.335 35.335 36.319 -0.984 19214 7179 1 10 . 1 1 460 460 VAL H H 460 9.200 9.200 8.853 0.347 19214 7180 1 10 . 1 1 461 461 ILE N N 461 120.070 120.070 123.986 -3.916 19214 7181 1 10 . 1 1 461 461 ILE HA H 461 5.198 5.198 4.715 0.483 19214 7182 1 10 . 1 1 461 461 ILE C C 461 174.647 174.647 173.476 1.171 19214 7183 1 10 . 1 1 461 461 ILE CA C 461 59.112 59.112 59.713 -0.601 19214 7184 1 10 . 1 1 461 461 ILE CB C 461 42.959 42.959 42.461 0.498 19214 7185 1 10 . 1 1 461 461 ILE H H 461 9.247 9.247 8.589 0.658 19214 7186 1 10 . 1 1 462 462 VAL N N 462 118.676 118.676 126.663 -7.987 19214 7187 1 10 . 1 1 462 462 VAL HA H 462 4.668 4.668 4.493 0.175 19214 7188 1 10 . 1 1 462 462 VAL C C 462 173.970 173.970 174.689 -0.719 19214 7189 1 10 . 1 1 462 462 VAL CA C 462 61.528 61.528 61.343 0.185 19214 7190 1 10 . 1 1 462 462 VAL CB C 462 33.865 33.865 33.006 0.859 19214 7191 1 10 . 1 1 462 462 VAL H H 462 7.400 7.400 8.975 -1.575 19214 7192 1 10 . 1 1 463 463 TYR N N 463 131.551 131.551 124.763 6.788 19214 7193 1 10 . 1 1 463 463 TYR HA H 463 4.937 4.937 5.500 -0.563 19214 7194 1 10 . 1 1 463 463 TYR C C 463 173.196 173.196 172.583 0.613 19214 7195 1 10 . 1 1 463 463 TYR CA C 463 55.589 55.589 55.462 0.128 19214 7196 1 10 . 1 1 463 463 TYR CB C 463 41.849 41.849 41.735 0.114 19214 7197 1 10 . 1 1 463 463 TYR H H 463 8.782 8.782 8.134 0.648 19214 7198 1 10 . 1 1 464 464 ALA N N 464 127.436 127.436 122.842 4.594 19214 7199 1 10 . 1 1 464 464 ALA HA H 464 4.418 4.418 4.404 0.014 19214 7200 1 10 . 1 1 464 464 ALA C C 464 175.095 175.095 174.374 0.721 19214 7201 1 10 . 1 1 464 464 ALA CA C 464 50.422 50.422 49.581 0.841 19214 7202 1 10 . 1 1 464 464 ALA CB C 464 22.676 22.676 22.328 0.348 19214 7203 1 10 . 1 1 464 464 ALA H H 464 8.295 8.295 7.803 0.492 19214 7204 1 10 . 1 1 465 465 PHE N N 465 116.385 116.385 119.500 -3.115 19214 7205 1 10 . 1 1 465 465 PHE HA H 465 4.434 4.434 4.828 -0.394 19214 7206 1 10 . 1 1 465 465 PHE C C 465 176.189 176.189 175.633 0.556 19214 7207 1 10 . 1 1 465 465 PHE CA C 465 56.771 56.771 58.228 -1.457 19214 7208 1 10 . 1 1 465 465 PHE CB C 465 42.082 42.082 38.835 3.247 19214 7209 1 10 . 1 1 465 465 PHE H H 465 7.426 7.426 8.134 -0.708 19214 7210 1 10 . 1 1 466 466 ASP N N 466 121.980 121.980 124.784 -2.804 19214 7211 1 10 . 1 1 466 466 ASP HA H 466 4.765 4.765 4.492 0.273 19214 7212 1 10 . 1 1 466 466 ASP C C 466 178.212 178.212 177.107 1.105 19214 7213 1 10 . 1 1 466 466 ASP CA C 466 52.007 52.007 53.664 -1.657 19214 7214 1 10 . 1 1 466 466 ASP CB C 466 41.201 41.201 41.582 -0.381 19214 7215 1 10 . 1 1 466 466 ASP H H 466 8.012 8.012 7.811 0.201 19214 7216 1 10 . 1 1 467 467 ASP N N 467 116.915 116.915 118.545 -1.630 19214 7217 1 10 . 1 1 467 467 ASP HA H 467 4.146 4.146 4.430 -0.284 19214 7218 1 10 . 1 1 467 467 ASP C C 467 176.189 176.189 174.976 1.213 19214 7219 1 10 . 1 1 467 467 ASP CA C 467 56.172 56.172 54.787 1.385 19214 7220 1 10 . 1 1 467 467 ASP CB C 467 40.189 40.189 40.096 0.093 19214 7221 1 10 . 1 1 467 467 ASP H H 467 8.335 8.335 8.598 -0.263 19214 7222 1 10 . 1 1 468 468 ASN N N 468 116.918 116.918 116.917 0.001 19214 7223 1 10 . 1 1 468 468 ASN HA H 468 4.689 4.689 4.484 0.205 19214 7224 1 10 . 1 1 468 468 ASN C C 468 174.068 174.068 174.767 -0.699 19214 7225 1 10 . 1 1 468 468 ASN CA C 468 52.711 52.711 51.994 0.717 19214 7226 1 10 . 1 1 468 468 ASN CB C 468 39.418 39.418 38.561 0.857 19214 7227 1 10 . 1 1 468 468 ASN H H 468 8.237 8.237 7.821 0.416 19214 7228 1 10 . 1 1 469 469 TYR N N 469 113.180 113.180 115.325 -2.145 19214 7229 1 10 . 1 1 469 469 TYR HA H 469 3.614 3.614 4.260 -0.646 19214 7230 1 10 . 1 1 469 469 TYR C C 469 173.766 173.766 174.397 -0.631 19214 7231 1 10 . 1 1 469 469 TYR CA C 469 60.636 60.636 58.560 2.076 19214 7232 1 10 . 1 1 469 469 TYR CB C 469 34.697 34.697 35.910 -1.213 19214 7233 1 10 . 1 1 469 469 TYR H H 469 7.975 7.975 7.262 0.713 19214 7234 1 10 . 1 1 470 470 VAL N N 470 120.871 120.871 119.097 1.774 19214 7235 1 10 . 1 1 470 470 VAL HA H 470 4.100 4.100 4.637 -0.537 19214 7236 1 10 . 1 1 470 470 VAL CA C 470 63.555 63.555 60.237 3.318 19214 7237 1 10 . 1 1 470 470 VAL CB C 470 31.054 31.054 34.181 -3.127 19214 7238 1 10 . 1 1 470 470 VAL H H 470 8.354 8.354 7.557 0.797 19214 7239 1 10 . 1 1 474 474 VAL HA H 474 4.288 4.288 3.605 0.683 19214 7240 1 10 . 1 1 474 474 VAL C C 474 175.489 175.489 175.568 -0.079 19214 7241 1 10 . 1 1 474 474 VAL CA C 474 61.669 61.669 64.732 -3.063 19214 7242 1 10 . 1 1 474 474 VAL CB C 474 32.382 32.382 31.901 0.482 19214 7243 1 10 . 1 1 475 475 ALA N N 475 118.920 118.920 117.392 1.528 19214 7244 1 10 . 1 1 475 475 ALA HA H 475 4.552 4.552 4.765 -0.213 19214 7245 1 10 . 1 1 475 475 ALA C C 475 174.363 174.363 174.473 -0.110 19214 7246 1 10 . 1 1 475 475 ALA CA C 475 52.023 52.023 51.141 0.882 19214 7247 1 10 . 1 1 475 475 ALA CB C 475 23.339 23.339 22.139 1.200 19214 7248 1 10 . 1 1 475 475 ALA H H 475 7.321 7.321 7.282 0.039 19214 7249 1 10 . 1 1 476 476 GLU N N 476 121.933 121.933 123.397 -1.464 19214 7250 1 10 . 1 1 476 476 GLU HA H 476 5.128 5.128 4.681 0.447 19214 7251 1 10 . 1 1 476 476 GLU C C 476 173.921 173.921 175.065 -1.144 19214 7252 1 10 . 1 1 476 476 GLU CA C 476 55.372 55.372 55.345 0.027 19214 7253 1 10 . 1 1 476 476 GLU CB C 476 35.144 35.144 33.383 1.761 19214 7254 1 10 . 1 1 476 476 GLU H H 476 8.969 8.969 8.612 0.357 19214 7255 1 10 . 1 1 477 477 SER N N 477 121.397 121.397 122.893 -1.496 19214 7256 1 10 . 1 1 477 477 SER HA H 477 4.855 4.855 4.922 -0.067 19214 7257 1 10 . 1 1 477 477 SER C C 477 173.315 173.315 172.386 0.929 19214 7258 1 10 . 1 1 477 477 SER CA C 477 56.600 56.600 57.282 -0.682 19214 7259 1 10 . 1 1 477 477 SER CB C 477 64.022 64.022 64.600 -0.578 19214 7260 1 10 . 1 1 477 477 SER H H 477 9.069 9.069 9.019 0.050 19214 7261 1 10 . 1 1 478 478 VAL N N 478 128.194 128.194 122.961 5.233 19214 7262 1 10 . 1 1 478 478 VAL HA H 478 5.287 5.287 4.488 0.799 19214 7263 1 10 . 1 1 478 478 VAL C C 478 173.093 173.093 174.828 -1.735 19214 7264 1 10 . 1 1 478 478 VAL CA C 478 58.849 58.849 59.213 -0.364 19214 7265 1 10 . 1 1 478 478 VAL CB C 478 35.764 35.764 34.118 1.646 19214 7266 1 10 . 1 1 478 478 VAL H H 478 9.081 9.081 8.406 0.675 19214 7267 1 10 . 1 1 479 479 ALA N N 479 129.566 129.566 130.290 -0.724 19214 7268 1 10 . 1 1 479 479 ALA HA H 479 4.358 4.358 4.337 0.021 19214 7269 1 10 . 1 1 479 479 ALA C C 479 176.760 176.760 177.475 -0.715 19214 7270 1 10 . 1 1 479 479 ALA CA C 479 52.215 52.215 52.312 -0.097 19214 7271 1 10 . 1 1 479 479 ALA CB C 479 20.082 20.082 19.616 0.466 19214 7272 1 10 . 1 1 479 479 ALA H H 479 8.688 8.688 8.288 0.400 19214 7273 1 10 . 1 1 480 480 GLU N N 480 120.391 120.391 120.365 0.026 19214 7274 1 10 . 1 1 480 480 GLU HA H 480 4.011 4.011 4.171 -0.160 19214 7275 1 10 . 1 1 480 480 GLU C C 480 177.201 177.201 177.553 -0.352 19214 7276 1 10 . 1 1 480 480 GLU CA C 480 58.178 58.178 58.487 -0.309 19214 7277 1 10 . 1 1 480 480 GLU CB C 480 29.829 29.829 29.564 0.265 19214 7278 1 10 . 1 1 480 480 GLU H H 480 8.531 8.531 8.601 -0.070 19214 7279 1 10 . 1 1 481 481 GLY N N 481 110.913 110.913 109.866 1.047 19214 7280 1 10 . 1 1 481 481 GLY C C 481 174.000 174.000 174.307 -0.307 19214 7281 1 10 . 1 1 481 481 GLY CA C 481 44.644 44.644 44.263 0.381 19214 7282 1 10 . 1 1 481 481 GLY H H 481 8.557 8.557 8.660 -0.103 19214 7283 1 10 . 1 1 482 482 TRP N N 482 119.571 119.571 122.771 -3.200 19214 7284 1 10 . 1 1 482 482 TRP HA H 482 5.200 5.200 5.018 0.182 19214 7285 1 10 . 1 1 482 482 TRP CA C 482 53.641 53.641 54.346 -0.705 19214 7286 1 10 . 1 1 482 482 TRP CB C 482 29.556 29.556 29.519 0.037 19214 7287 1 10 . 1 1 482 482 TRP H H 482 7.066 7.066 7.196 -0.130 19214 7288 1 10 . 1 1 484 484 GLN CB C 484 28.700 28.700 28.789 -0.089 19214 7289 1 10 . 1 1 485 485 ALA HA H 485 4.021 4.021 4.259 -0.238 19214 7290 1 10 . 1 1 485 485 ALA C C 485 180.181 180.181 178.227 1.954 19214 7291 1 10 . 1 1 485 485 ALA CA C 485 55.328 55.328 54.006 1.322 19214 7292 1 10 . 1 1 485 485 ALA CB C 485 18.537 18.537 18.803 -0.266 19214 7293 1 10 . 1 1 486 486 ARG N N 486 114.901 114.901 118.011 -3.110 19214 7294 1 10 . 1 1 486 486 ARG HA H 486 4.104 4.104 4.075 0.029 19214 7295 1 10 . 1 1 486 486 ARG C C 486 176.165 176.165 177.041 -0.876 19214 7296 1 10 . 1 1 486 486 ARG CA C 486 58.068 58.068 58.531 -0.463 19214 7297 1 10 . 1 1 486 486 ARG CB C 486 29.624 29.624 29.216 0.408 19214 7298 1 10 . 1 1 486 486 ARG H H 486 8.998 8.998 7.743 1.255 19214 7299 1 10 . 1 1 487 487 ASP N N 487 117.227 117.227 118.056 -0.829 19214 7300 1 10 . 1 1 487 487 ASP HA H 487 4.724 4.724 4.591 0.133 19214 7301 1 10 . 1 1 487 487 ASP C C 487 175.859 175.859 176.174 -0.315 19214 7302 1 10 . 1 1 487 487 ASP CA C 487 54.873 54.873 55.153 -0.280 19214 7303 1 10 . 1 1 487 487 ASP CB C 487 41.415 41.415 41.288 0.127 19214 7304 1 10 . 1 1 487 487 ASP H H 487 7.424 7.424 7.730 -0.306 19214 7305 1 10 . 1 1 488 488 GLN N N 488 117.558 117.558 119.210 -1.652 19214 7306 1 10 . 1 1 488 488 GLN HA H 488 4.471 4.471 4.519 -0.048 19214 7307 1 10 . 1 1 488 488 GLN C C 488 175.010 175.010 175.804 -0.794 19214 7308 1 10 . 1 1 488 488 GLN CA C 488 54.037 54.037 54.132 -0.095 19214 7309 1 10 . 1 1 488 488 GLN CB C 488 29.989 29.989 29.115 0.874 19214 7310 1 10 . 1 1 488 488 GLN H H 488 7.548 7.548 8.239 -0.691 19214 7311 1 10 . 1 1 489 489 VAL N N 489 122.991 122.991 123.533 -0.542 19214 7312 1 10 . 1 1 489 489 VAL HA H 489 4.102 4.102 4.032 0.070 19214 7313 1 10 . 1 1 489 489 VAL C C 489 175.471 175.471 175.528 -0.057 19214 7314 1 10 . 1 1 489 489 VAL CA C 489 62.947 62.947 61.503 1.444 19214 7315 1 10 . 1 1 489 489 VAL CB C 489 31.473 31.473 32.882 -1.409 19214 7316 1 10 . 1 1 489 489 VAL H H 489 8.426 8.426 8.593 -0.167 19214 7317 1 10 . 1 1 490 490 ILE N N 490 128.401 128.401 125.796 2.605 19214 7318 1 10 . 1 1 490 490 ILE HA H 490 4.310 4.310 4.304 0.006 19214 7319 1 10 . 1 1 490 490 ILE H H 490 8.474 8.474 8.719 -0.245 19214 7320 1 10 . 1 1 491 491 GLU HA H 491 4.361 4.361 4.223 0.138 19214 7321 1 10 . 1 1 491 491 GLU C C 491 174.175 174.175 176.316 -2.141 19214 7322 1 10 . 1 1 491 491 GLU CA C 491 54.874 54.874 57.540 -2.666 19214 7323 1 10 . 1 1 491 491 GLU CB C 491 31.063 31.063 30.314 0.749 19214 7324 1 10 . 1 1 492 492 ASP N N 492 117.270 117.270 121.298 -4.028 19214 7325 1 10 . 1 1 492 492 ASP HA H 492 4.730 4.730 4.742 -0.012 19214 7326 1 10 . 1 1 492 492 ASP CA C 492 52.914 52.914 52.840 0.074 19214 7327 1 10 . 1 1 492 492 ASP CB C 492 44.223 44.223 41.221 3.002 19214 7328 1 10 . 1 1 492 492 ASP H H 492 6.870 6.870 8.110 -1.240 19214 7329 1 10 . 1 1 493 493 PRO C C 493 178.700 178.700 176.276 2.424 19214 7330 1 10 . 1 1 493 493 PRO CA C 493 63.429 63.429 62.676 0.753 19214 7331 1 10 . 1 1 493 493 PRO CB C 493 32.064 32.064 33.619 -1.555 19214 7332 1 10 . 1 1 494 494 CYS N N 494 121.800 121.800 113.043 8.757 19214 7333 1 10 . 1 1 494 494 CYS H H 494 8.010 8.010 8.012 -0.002 19214 7334 1 10 . 1 1 495 495 PHE CB C 495 36.800 36.800 39.008 -2.208 19214 7335 1 10 . 1 1 500 500 VAL C C 500 177.132 177.132 177.569 -0.437 19214 7336 1 10 . 1 1 501 501 GLU N N 501 117.783 117.783 118.421 -0.638 19214 7337 1 10 . 1 1 501 501 GLU C C 501 178.329 178.329 178.279 0.050 19214 7338 1 10 . 1 1 501 501 GLU H H 501 8.169 8.169 8.181 -0.012 19214 7339 1 10 . 1 1 502 502 ALA N N 502 120.877 120.877 121.466 -0.589 19214 7340 1 10 . 1 1 502 502 ALA HA H 502 3.976 3.976 3.711 0.265 19214 7341 1 10 . 1 1 502 502 ALA C C 502 181.216 181.216 179.198 2.018 19214 7342 1 10 . 1 1 502 502 ALA CA C 502 55.113 55.113 54.509 0.604 19214 7343 1 10 . 1 1 502 502 ALA CB C 502 17.660 17.660 17.173 0.487 19214 7344 1 10 . 1 1 502 502 ALA H H 502 7.982 7.982 7.781 0.201 19214 7345 1 10 . 1 1 503 503 TYR N N 503 116.217 116.217 116.664 -0.447 19214 7346 1 10 . 1 1 503 503 TYR HA H 503 4.440 4.440 4.316 0.124 19214 7347 1 10 . 1 1 503 503 TYR C C 503 178.488 178.488 178.699 -0.211 19214 7348 1 10 . 1 1 503 503 TYR CA C 503 62.517 62.517 59.534 2.983 19214 7349 1 10 . 1 1 503 503 TYR CB C 503 38.834 38.834 37.837 0.997 19214 7350 1 10 . 1 1 503 503 TYR H H 503 7.310 7.310 7.043 0.267 19214 7351 1 10 . 1 1 504 504 ARG N N 504 122.384 122.384 120.202 2.182 19214 7352 1 10 . 1 1 504 504 ARG HA H 504 3.748 3.748 4.027 -0.279 19214 7353 1 10 . 1 1 504 504 ARG C C 504 177.207 177.207 176.917 0.290 19214 7354 1 10 . 1 1 504 504 ARG CA C 504 59.734 59.734 58.417 1.317 19214 7355 1 10 . 1 1 504 504 ARG CB C 504 30.200 30.200 29.953 0.247 19214 7356 1 10 . 1 1 504 504 ARG H H 504 8.424 8.424 7.473 0.951 19214 7357 1 10 . 1 1 505 505 GLN N N 505 112.682 112.682 115.229 -2.547 19214 7358 1 10 . 1 1 505 505 GLN HA H 505 4.220 4.220 4.436 -0.216 19214 7359 1 10 . 1 1 505 505 GLN C C 505 176.342 176.342 176.415 -0.073 19214 7360 1 10 . 1 1 505 505 GLN CA C 505 55.587 55.587 55.203 0.384 19214 7361 1 10 . 1 1 505 505 GLN CB C 505 28.591 28.591 29.235 -0.644 19214 7362 1 10 . 1 1 505 505 GLN H H 505 7.436 7.436 7.497 -0.061 19214 7363 1 10 . 1 1 506 506 GLY N N 506 107.068 107.068 109.645 -2.577 19214 7364 1 10 . 1 1 506 506 GLY C C 506 174.202 174.202 173.784 0.418 19214 7365 1 10 . 1 1 506 506 GLY CA C 506 45.499 45.499 45.004 0.495 19214 7366 1 10 . 1 1 506 506 GLY H H 506 7.910 7.910 8.089 -0.179 19214 7367 1 10 . 1 1 507 507 ARG N N 507 123.044 123.044 119.880 3.164 19214 7368 1 10 . 1 1 507 507 ARG HA H 507 3.857 3.857 4.292 -0.435 19214 7369 1 10 . 1 1 507 507 ARG C C 507 172.375 172.375 175.587 -3.212 19214 7370 1 10 . 1 1 507 507 ARG CA C 507 57.969 57.969 56.069 1.900 19214 7371 1 10 . 1 1 507 507 ARG CB C 507 30.269 30.269 31.468 -1.199 19214 7372 1 10 . 1 1 507 507 ARG H H 507 7.934 7.934 7.575 0.359 19214 7373 1 10 . 1 1 508 508 ILE N N 508 120.600 120.600 119.545 1.055 19214 7374 1 10 . 1 1 508 508 ILE HA H 508 4.819 4.819 4.442 0.377 19214 7375 1 10 . 1 1 508 508 ILE C C 508 177.238 177.238 174.664 2.574 19214 7376 1 10 . 1 1 508 508 ILE CA C 508 59.801 59.801 59.962 -0.162 19214 7377 1 10 . 1 1 508 508 ILE CB C 508 41.877 41.877 38.971 2.906 19214 7378 1 10 . 1 1 508 508 ILE H H 508 7.572 7.572 8.121 -0.549 19214 7379 1 10 . 1 1 509 509 GLN N N 509 127.676 127.676 128.044 -0.368 19214 7380 1 10 . 1 1 509 509 GLN HA H 509 4.761 4.761 4.782 -0.021 19214 7381 1 10 . 1 1 509 509 GLN C C 509 172.804 172.804 173.909 -1.105 19214 7382 1 10 . 1 1 509 509 GLN CA C 509 54.158 54.158 54.950 -0.792 19214 7383 1 10 . 1 1 509 509 GLN CB C 509 31.078 31.078 31.603 -0.525 19214 7384 1 10 . 1 1 509 509 GLN H H 509 8.894 8.894 8.437 0.457 19214 7385 1 10 . 1 1 510 510 ALA N N 510 132.910 132.910 130.863 2.047 19214 7386 1 10 . 1 1 510 510 ALA HA H 510 4.912 4.912 4.792 0.120 19214 7387 1 10 . 1 1 510 510 ALA C C 510 175.581 175.581 176.614 -1.033 19214 7388 1 10 . 1 1 510 510 ALA CA C 510 51.180 51.180 51.203 -0.023 19214 7389 1 10 . 1 1 510 510 ALA CB C 510 19.939 19.939 21.221 -1.282 19214 7390 1 10 . 1 1 510 510 ALA H H 510 9.110 9.110 8.799 0.311 19214 7391 1 10 . 1 1 511 511 THR N N 511 123.543 123.543 122.640 0.903 19214 7392 1 10 . 1 1 511 511 THR HA H 511 4.636 4.636 4.891 -0.255 19214 7393 1 10 . 1 1 511 511 THR C C 511 174.690 174.690 175.451 -0.761 19214 7394 1 10 . 1 1 511 511 THR CA C 511 61.883 61.883 61.759 0.124 19214 7395 1 10 . 1 1 511 511 THR CB C 511 69.826 69.826 69.868 -0.042 19214 7396 1 10 . 1 1 511 511 THR H H 511 9.525 9.525 8.269 1.256 19214 7397 1 10 . 1 1 512 512 THR N N 512 129.502 129.502 114.938 14.564 19214 7398 1 10 . 1 1 512 512 THR HA H 512 4.524 4.524 3.936 0.588 19214 7399 1 10 . 1 1 512 512 THR C C 512 172.791 172.791 173.602 -0.811 19214 7400 1 10 . 1 1 512 512 THR CA C 512 63.974 63.974 64.743 -0.769 19214 7401 1 10 . 1 1 512 512 THR CB C 512 69.199 69.199 69.078 0.121 19214 7402 1 10 . 1 1 512 512 THR H H 512 9.024 9.024 8.824 0.200 19214 7403 1 10 . 1 1 513 513 ASP N N 513 113.203 113.203 116.812 -3.609 19214 7404 1 10 . 1 1 513 513 ASP HA H 513 4.891 4.891 4.791 0.100 19214 7405 1 10 . 1 1 513 513 ASP C C 513 179.282 179.282 175.557 3.725 19214 7406 1 10 . 1 1 513 513 ASP CA C 513 51.637 51.637 53.192 -1.555 19214 7407 1 10 . 1 1 513 513 ASP CB C 513 42.591 42.591 42.181 0.410 19214 7408 1 10 . 1 1 513 513 ASP H H 513 7.263 7.263 7.756 -0.493 19214 7409 1 10 . 1 1 514 514 ILE N N 514 122.554 122.554 120.606 1.948 19214 7410 1 10 . 1 1 514 514 ILE HA H 514 3.595 3.595 3.919 -0.324 19214 7411 1 10 . 1 1 514 514 ILE C C 514 175.984 175.984 176.730 -0.746 19214 7412 1 10 . 1 1 514 514 ILE CA C 514 64.552 64.552 63.343 1.209 19214 7413 1 10 . 1 1 514 514 ILE CB C 514 37.796 37.796 37.717 0.079 19214 7414 1 10 . 1 1 514 514 ILE H H 514 9.465 9.465 8.714 0.751 19214 7415 1 10 . 1 1 515 515 PHE N N 515 117.573 117.573 117.577 -0.004 19214 7416 1 10 . 1 1 515 515 PHE HA H 515 4.399 4.399 4.253 0.146 19214 7417 1 10 . 1 1 515 515 PHE C C 515 176.347 176.347 176.233 0.114 19214 7418 1 10 . 1 1 515 515 PHE CA C 515 59.346 59.346 59.909 -0.563 19214 7419 1 10 . 1 1 515 515 PHE CB C 515 37.709 37.709 38.749 -1.040 19214 7420 1 10 . 1 1 515 515 PHE H H 515 7.804 7.804 8.367 -0.563 19214 7421 1 10 . 1 1 516 516 LYS N N 516 118.690 118.690 117.232 1.458 19214 7422 1 10 . 1 1 516 516 LYS HA H 516 4.692 4.692 4.413 0.279 19214 7423 1 10 . 1 1 516 516 LYS C C 516 175.821 175.821 175.644 0.177 19214 7424 1 10 . 1 1 516 516 LYS CA C 516 54.851 54.851 55.510 -0.659 19214 7425 1 10 . 1 1 516 516 LYS CB C 516 33.855 33.855 31.938 1.917 19214 7426 1 10 . 1 1 516 516 LYS H H 516 7.559 7.559 7.672 -0.113 19214 7427 1 10 . 1 1 517 517 ALA N N 517 121.471 121.471 121.279 0.192 19214 7428 1 10 . 1 1 517 517 ALA HA H 517 4.530 4.530 4.483 0.047 19214 7429 1 10 . 1 1 517 517 ALA CA C 517 52.124 52.124 51.604 0.520 19214 7430 1 10 . 1 1 517 517 ALA CB C 517 20.974 20.974 20.703 0.271 19214 7431 1 10 . 1 1 517 517 ALA H H 517 7.219 7.219 7.213 0.006 19214 7432 1 10 . 1 1 518 518 GLY C C 518 175.423 175.423 174.363 1.060 19214 7433 1 10 . 1 1 518 518 GLY CA C 518 46.692 46.692 45.287 1.405 19214 7434 1 10 . 1 1 519 519 LEU N N 519 119.857 119.857 118.696 1.161 19214 7435 1 10 . 1 1 519 519 LEU HA H 519 4.348 4.348 4.113 0.235 19214 7436 1 10 . 1 1 519 519 LEU C C 519 177.704 177.704 178.352 -0.648 19214 7437 1 10 . 1 1 519 519 LEU CA C 519 54.535 54.535 55.718 -1.183 19214 7438 1 10 . 1 1 519 519 LEU CB C 519 41.174 41.174 41.825 -0.651 19214 7439 1 10 . 1 1 519 519 LEU H H 519 8.531 8.531 7.869 0.662 19214 7440 1 10 . 1 1 520 520 THR N N 520 113.386 113.386 108.460 4.926 19214 7441 1 10 . 1 1 520 520 THR HA H 520 4.260 4.260 3.838 0.422 19214 7442 1 10 . 1 1 520 520 THR CA C 520 61.653 61.653 63.008 -1.355 19214 7443 1 10 . 1 1 520 520 THR CB C 520 71.260 71.260 67.744 3.516 19214 7444 1 10 . 1 1 520 520 THR H H 520 9.352 9.352 8.575 0.777 19214 7445 1 10 . 1 1 522 522 CYS HA H 522 4.385 4.385 4.419 -0.034 19214 7446 1 10 . 1 1 522 522 CYS C C 522 175.903 175.903 174.364 1.539 19214 7447 1 10 . 1 1 522 522 CYS CA C 522 58.664 58.664 58.893 -0.229 19214 7448 1 10 . 1 1 522 522 CYS CB C 522 31.785 31.785 26.196 5.589 19214 7449 1 10 . 1 1 523 523 HIS N N 523 125.416 125.416 120.074 5.342 19214 7450 1 10 . 1 1 523 523 HIS HA H 523 4.430 4.430 4.401 0.029 19214 7451 1 10 . 1 1 523 523 HIS C C 523 178.292 178.292 176.300 1.992 19214 7452 1 10 . 1 1 523 523 HIS CA C 523 55.874 55.874 56.202 -0.328 19214 7453 1 10 . 1 1 523 523 HIS CB C 523 33.792 33.792 30.695 3.097 19214 7454 1 10 . 1 1 523 523 HIS H H 523 7.210 7.210 7.777 -0.567 19214 7455 1 10 . 1 1 524 524 LEU N N 524 120.382 120.382 120.531 -0.149 19214 7456 1 10 . 1 1 524 524 LEU HA H 524 3.447 3.447 3.568 -0.121 19214 7457 1 10 . 1 1 524 524 LEU C C 524 179.772 179.772 178.249 1.523 19214 7458 1 10 . 1 1 524 524 LEU CA C 524 58.643 58.643 58.801 -0.158 19214 7459 1 10 . 1 1 524 524 LEU CB C 524 41.395 41.395 41.089 0.306 19214 7460 1 10 . 1 1 524 524 LEU H H 524 8.407 8.407 8.650 -0.243 19214 7461 1 10 . 1 1 525 525 ASN N N 525 115.617 115.617 116.560 -0.943 19214 7462 1 10 . 1 1 525 525 ASN HA H 525 4.474 4.474 4.389 0.085 19214 7463 1 10 . 1 1 525 525 ASN C C 525 176.493 176.493 176.740 -0.247 19214 7464 1 10 . 1 1 525 525 ASN CA C 525 55.154 55.154 55.775 -0.621 19214 7465 1 10 . 1 1 525 525 ASN CB C 525 38.056 38.056 37.704 0.352 19214 7466 1 10 . 1 1 525 525 ASN H H 525 8.540 8.540 8.209 0.331 19214 7467 1 10 . 1 1 526 526 GLN N N 526 116.828 116.828 117.201 -0.373 19214 7468 1 10 . 1 1 526 526 GLN HA H 526 4.004 4.004 4.347 -0.343 19214 7469 1 10 . 1 1 526 526 GLN C C 526 175.549 175.549 176.804 -1.255 19214 7470 1 10 . 1 1 526 526 GLN CA C 526 57.483 57.483 57.093 0.390 19214 7471 1 10 . 1 1 526 526 GLN CB C 526 29.433 29.433 29.478 -0.045 19214 7472 1 10 . 1 1 526 526 GLN H H 526 7.492 7.492 7.787 -0.295 19214 7473 1 10 . 1 1 527 527 LEU N N 527 115.200 115.200 119.314 -4.114 19214 7474 1 10 . 1 1 527 527 LEU HA H 527 4.064 4.064 4.443 -0.379 19214 7475 1 10 . 1 1 527 527 LEU C C 527 178.808 178.808 177.822 0.986 19214 7476 1 10 . 1 1 527 527 LEU CA C 527 55.460 55.460 55.869 -0.409 19214 7477 1 10 . 1 1 527 527 LEU CB C 527 43.643 43.643 42.634 1.009 19214 7478 1 10 . 1 1 527 527 LEU H H 527 6.803 6.803 8.123 -1.320 19214 7479 1 10 . 1 1 528 528 ARG N N 528 121.174 121.174 120.855 0.319 19214 7480 1 10 . 1 1 528 528 ARG HA H 528 4.230 4.230 4.369 -0.139 19214 7481 1 10 . 1 1 528 528 ARG CA C 528 61.240 61.240 59.501 1.739 19214 7482 1 10 . 1 1 528 528 ARG CB C 528 28.670 28.670 27.696 0.974 19214 7483 1 10 . 1 1 528 528 ARG H H 528 8.763 8.763 8.701 0.062 19214 7484 1 10 . 1 1 529 529 PRO HA H 529 4.397 4.397 4.285 0.112 19214 7485 1 10 . 1 1 529 529 PRO C C 529 176.672 176.672 177.563 -0.891 19214 7486 1 10 . 1 1 529 529 PRO CA C 529 65.693 65.693 65.108 0.585 19214 7487 1 10 . 1 1 529 529 PRO CB C 529 30.983 30.983 31.180 -0.197 19214 7488 1 10 . 1 1 530 530 LEU N N 530 112.952 112.952 115.815 -2.863 19214 7489 1 10 . 1 1 530 530 LEU HA H 530 4.198 4.198 4.222 -0.024 19214 7490 1 10 . 1 1 530 530 LEU C C 530 176.746 176.746 176.658 0.088 19214 7491 1 10 . 1 1 530 530 LEU CA C 530 53.564 53.564 54.931 -1.367 19214 7492 1 10 . 1 1 530 530 LEU CB C 530 42.143 42.143 41.689 0.454 19214 7493 1 10 . 1 1 530 530 LEU H H 530 6.762 6.762 7.909 -1.147 19214 7494 1 10 . 1 1 531 531 LYS N N 531 114.491 114.491 113.130 1.361 19214 7495 1 10 . 1 1 531 531 LYS HA H 531 3.921 3.921 3.968 -0.047 19214 7496 1 10 . 1 1 531 531 LYS C C 531 173.427 173.427 175.607 -2.180 19214 7497 1 10 . 1 1 531 531 LYS CA C 531 56.732 56.732 56.873 -0.142 19214 7498 1 10 . 1 1 531 531 LYS CB C 531 28.329 28.329 29.941 -1.612 19214 7499 1 10 . 1 1 531 531 LYS H H 531 8.319 8.319 7.660 0.659 19214 7500 1 10 . 1 1 532 532 VAL N N 532 114.641 114.641 113.860 0.781 19214 7501 1 10 . 1 1 532 532 VAL HA H 532 2.631 2.631 3.979 -1.348 19214 7502 1 10 . 1 1 532 532 VAL C C 532 174.660 174.660 175.527 -0.867 19214 7503 1 10 . 1 1 532 532 VAL CA C 532 65.644 65.644 61.961 3.683 19214 7504 1 10 . 1 1 532 532 VAL CB C 532 32.120 32.120 30.858 1.262 19214 7505 1 10 . 1 1 532 532 VAL H H 532 6.295 6.295 7.235 -0.940 19214 7506 1 10 . 1 1 533 533 ARG N N 533 120.970 120.970 125.536 -4.566 19214 7507 1 10 . 1 1 533 533 ARG HA H 533 4.473 4.473 4.384 0.089 19214 7508 1 10 . 1 1 533 533 ARG C C 533 173.734 173.734 175.767 -2.033 19214 7509 1 10 . 1 1 533 533 ARG CA C 533 55.062 55.062 56.949 -1.887 19214 7510 1 10 . 1 1 533 533 ARG CB C 533 30.163 30.163 31.104 -0.941 19214 7511 1 10 . 1 1 533 533 ARG H H 533 8.446 8.446 7.905 0.541 19214 7512 1 10 . 1 1 534 534 ALA N N 534 123.443 123.443 119.667 3.776 19214 7513 1 10 . 1 1 534 534 ALA HA H 534 4.842 4.842 4.818 0.024 19214 7514 1 10 . 1 1 534 534 ALA C C 534 176.821 176.821 175.472 1.349 19214 7515 1 10 . 1 1 534 534 ALA CA C 534 51.093 51.093 50.608 0.485 19214 7516 1 10 . 1 1 534 534 ALA CB C 534 24.474 24.474 22.161 2.313 19214 7517 1 10 . 1 1 534 534 ALA H H 534 8.477 8.477 7.417 1.060 19214 7518 1 10 . 1 1 535 535 ASN N N 535 121.981 121.981 120.997 0.984 19214 7519 1 10 . 1 1 535 535 ASN HA H 535 5.709 5.709 5.121 0.588 19214 7520 1 10 . 1 1 535 535 ASN C C 535 171.453 171.453 173.339 -1.886 19214 7521 1 10 . 1 1 535 535 ASN CA C 535 52.188 52.188 52.984 -0.796 19214 7522 1 10 . 1 1 535 535 ASN CB C 535 44.081 44.081 42.236 1.845 19214 7523 1 10 . 1 1 535 535 ASN H H 535 8.910 8.910 8.619 0.291 19214 7524 1 10 . 1 1 536 536 LEU N N 536 132.341 132.341 127.043 5.298 19214 7525 1 10 . 1 1 536 536 LEU HA H 536 5.104 5.104 4.332 0.772 19214 7526 1 10 . 1 1 536 536 LEU C C 536 173.245 173.245 173.867 -0.622 19214 7527 1 10 . 1 1 536 536 LEU CA C 536 53.812 53.812 53.475 0.337 19214 7528 1 10 . 1 1 536 536 LEU CB C 536 41.977 41.977 44.736 -2.759 19214 7529 1 10 . 1 1 536 536 LEU H H 536 9.242 9.242 7.477 1.765 19214 7530 1 10 . 1 1 537 537 VAL N N 537 126.829 126.829 125.537 1.292 19214 7531 1 10 . 1 1 537 537 VAL HA H 537 4.580 4.580 4.992 -0.412 19214 7532 1 10 . 1 1 537 537 VAL C C 537 174.764 174.764 174.341 0.423 19214 7533 1 10 . 1 1 537 537 VAL CA C 537 61.450 61.450 60.366 1.084 19214 7534 1 10 . 1 1 537 537 VAL CB C 537 35.260 35.260 36.005 -0.745 19214 7535 1 10 . 1 1 537 537 VAL H H 537 9.258 9.258 8.337 0.921 19214 7536 1 10 . 1 1 538 538 VAL N N 538 120.280 120.280 118.138 2.142 19214 7537 1 10 . 1 1 538 538 VAL HA H 538 5.240 5.240 4.796 0.444 19214 7538 1 10 . 1 1 538 538 VAL CA C 538 56.785 56.785 57.898 -1.113 19214 7539 1 10 . 1 1 538 538 VAL CB C 538 33.470 33.470 33.806 -0.336 19214 7540 1 10 . 1 1 538 538 VAL H H 538 8.809 8.809 8.023 0.786 19214 7541 1 10 . 1 1 539 539 PRO HA H 539 4.756 4.756 4.530 0.226 19214 7542 1 10 . 1 1 539 539 PRO C C 539 175.826 175.826 175.639 0.187 19214 7543 1 10 . 1 1 539 539 PRO CA C 539 62.754 62.754 62.695 0.059 19214 7544 1 10 . 1 1 539 539 PRO CB C 539 34.400 34.400 32.613 1.787 19214 7545 1 10 . 1 1 540 540 MET N N 540 118.724 118.724 124.063 -5.339 19214 7546 1 10 . 1 1 540 540 MET HA H 540 4.397 4.397 4.821 -0.424 19214 7547 1 10 . 1 1 540 540 MET C C 540 173.839 173.839 173.930 -0.091 19214 7548 1 10 . 1 1 540 540 MET CA C 540 55.758 55.758 55.149 0.609 19214 7549 1 10 . 1 1 540 540 MET CB C 540 34.217 34.217 35.198 -0.981 19214 7550 1 10 . 1 1 540 540 MET H H 540 8.360 8.360 7.992 0.368 19214 7551 1 10 . 1 1 541 541 VAL N N 541 125.320 125.320 125.423 -0.103 19214 7552 1 10 . 1 1 541 541 VAL HA H 541 5.100 5.100 5.070 0.030 19214 7553 1 10 . 1 1 541 541 VAL C C 541 174.569 174.569 175.047 -0.478 19214 7554 1 10 . 1 1 541 541 VAL CA C 541 60.526 60.526 60.871 -0.345 19214 7555 1 10 . 1 1 541 541 VAL CB C 541 34.461 34.461 34.630 -0.169 19214 7556 1 10 . 1 1 541 541 VAL H H 541 8.383 8.383 8.343 0.040 19214 7557 1 10 . 1 1 542 542 ILE N N 542 125.677 125.677 125.989 -0.312 19214 7558 1 10 . 1 1 542 542 ILE HA H 542 4.256 4.256 4.323 -0.067 19214 7559 1 10 . 1 1 542 542 ILE C C 542 175.815 175.815 175.019 0.796 19214 7560 1 10 . 1 1 542 542 ILE CA C 542 60.441 60.441 60.236 0.205 19214 7561 1 10 . 1 1 542 542 ILE CB C 542 41.219 41.219 40.782 0.438 19214 7562 1 10 . 1 1 542 542 ILE H H 542 8.470 8.470 9.188 -0.718 19214 7563 1 10 . 1 1 543 543 ASP N N 543 130.204 130.204 127.672 2.532 19214 7564 1 10 . 1 1 543 543 ASP HA H 543 4.150 4.150 4.295 -0.145 19214 7565 1 10 . 1 1 543 543 ASP CA C 543 56.014 56.014 55.550 0.464 19214 7566 1 10 . 1 1 543 543 ASP CB C 543 39.515 39.515 39.291 0.224 19214 7567 1 10 . 1 1 543 543 ASP H H 543 9.650 9.650 8.909 0.741 19214 7568 1 10 . 1 1 544 544 ASP HA H 544 4.180 4.180 4.208 -0.028 19214 7569 1 10 . 1 1 544 544 ASP C C 544 174.473 174.473 174.901 -0.428 19214 7570 1 10 . 1 1 544 544 ASP CA C 544 55.500 55.500 55.579 -0.079 19214 7571 1 10 . 1 1 544 544 ASP CB C 544 40.941 40.941 40.379 0.562 19214 7572 1 10 . 1 1 545 545 GLN N N 545 117.251 117.251 116.438 0.813 19214 7573 1 10 . 1 1 545 545 GLN CA C 545 53.533 53.533 54.556 -1.024 19214 7574 1 10 . 1 1 545 545 GLN H H 545 7.868 7.868 7.906 -0.038 19214 7575 1 10 . 1 1 546 546 LEU C C 546 174.500 174.500 175.575 -1.075 19214 7576 1 10 . 1 1 547 547 PHE N N 547 130.200 130.200 127.632 2.568 19214 7577 1 10 . 1 1 547 547 PHE HA H 547 4.650 4.650 4.635 0.015 19214 7578 1 10 . 1 1 547 547 PHE C C 547 176.033 176.033 174.632 1.401 19214 7579 1 10 . 1 1 547 547 PHE CA C 547 59.700 59.700 58.486 1.214 19214 7580 1 10 . 1 1 547 547 PHE CB C 547 40.800 40.800 42.626 -1.826 19214 7581 1 10 . 1 1 547 547 PHE H H 547 9.120 9.120 8.230 0.890 19214 7582 1 10 . 1 1 548 548 GLY N N 548 102.705 102.705 104.180 -1.475 19214 7583 1 10 . 1 1 548 548 GLY C C 548 169.494 169.494 171.483 -1.989 19214 7584 1 10 . 1 1 548 548 GLY CA C 548 46.008 46.008 45.382 0.626 19214 7585 1 10 . 1 1 548 548 GLY H H 548 7.939 7.939 7.498 0.441 19214 7586 1 10 . 1 1 549 549 LEU N N 549 118.437 118.437 118.311 0.126 19214 7587 1 10 . 1 1 549 549 LEU HA H 549 4.870 4.870 4.855 0.015 19214 7588 1 10 . 1 1 549 549 LEU C C 549 173.746 173.746 175.197 -1.451 19214 7589 1 10 . 1 1 549 549 LEU CA C 549 53.108 53.108 54.754 -1.646 19214 7590 1 10 . 1 1 549 549 LEU CB C 549 44.752 44.752 46.761 -2.009 19214 7591 1 10 . 1 1 549 549 LEU H H 549 9.279 9.279 7.766 1.513 19214 7592 1 10 . 1 1 550 550 LEU N N 550 127.359 127.359 122.870 4.489 19214 7593 1 10 . 1 1 550 550 LEU HA H 550 4.881 4.881 4.688 0.193 19214 7594 1 10 . 1 1 550 550 LEU C C 550 174.669 174.669 176.142 -1.473 19214 7595 1 10 . 1 1 550 550 LEU CA C 550 54.216 54.216 54.696 -0.480 19214 7596 1 10 . 1 1 550 550 LEU CB C 550 42.954 42.954 42.571 0.383 19214 7597 1 10 . 1 1 550 550 LEU H H 550 9.068 9.068 8.064 1.004 19214 7598 1 10 . 1 1 551 551 ILE N N 551 126.177 126.177 122.798 3.379 19214 7599 1 10 . 1 1 551 551 ILE HA H 551 5.234 5.234 5.229 0.005 19214 7600 1 10 . 1 1 551 551 ILE C C 551 173.709 173.709 174.415 -0.706 19214 7601 1 10 . 1 1 551 551 ILE CA C 551 59.720 59.720 59.244 0.476 19214 7602 1 10 . 1 1 551 551 ILE CB C 551 42.210 42.210 41.133 1.077 19214 7603 1 10 . 1 1 551 551 ILE H H 551 8.584 8.584 7.992 0.592 19214 7604 1 10 . 1 1 552 552 ALA N N 552 129.345 129.345 128.114 1.231 19214 7605 1 10 . 1 1 552 552 ALA HA H 552 5.194 5.194 4.673 0.521 19214 7606 1 10 . 1 1 552 552 ALA C C 552 175.549 175.549 175.395 0.154 19214 7607 1 10 . 1 1 552 552 ALA CA C 552 49.380 49.380 50.439 -1.059 19214 7608 1 10 . 1 1 552 552 ALA CB C 552 23.712 23.712 20.984 2.728 19214 7609 1 10 . 1 1 552 552 ALA H H 552 9.709 9.709 8.025 1.684 19214 7610 1 10 . 1 1 553 553 HIS N N 553 115.303 115.303 122.205 -6.902 19214 7611 1 10 . 1 1 553 553 HIS HA H 553 6.162 6.162 5.205 0.957 19214 7612 1 10 . 1 1 553 553 HIS C C 553 177.121 177.121 174.488 2.633 19214 7613 1 10 . 1 1 553 553 HIS CA C 553 51.965 51.965 54.346 -2.381 19214 7614 1 10 . 1 1 553 553 HIS CB C 553 36.593 36.593 31.956 4.637 19214 7615 1 10 . 1 1 553 553 HIS H H 553 9.151 9.151 8.174 0.977 19214 7616 1 10 . 1 1 554 554 GLN N N 554 124.107 124.107 124.914 -0.807 19214 7617 1 10 . 1 1 554 554 GLN HA H 554 4.540 4.540 4.363 0.177 19214 7618 1 10 . 1 1 554 554 GLN C C 554 174.320 174.320 175.114 -0.794 19214 7619 1 10 . 1 1 554 554 GLN CA C 554 55.976 55.976 55.287 0.689 19214 7620 1 10 . 1 1 554 554 GLN CB C 554 30.828 30.828 29.789 1.039 19214 7621 1 10 . 1 1 554 554 GLN H H 554 8.647 8.647 8.937 -0.290 19214 7622 1 10 . 1 1 555 555 ALA N N 555 136.582 136.582 128.970 7.612 19214 7623 1 10 . 1 1 555 555 ALA HA H 555 4.617 4.617 4.316 0.301 19214 7624 1 10 . 1 1 555 555 ALA C C 555 177.422 177.422 177.090 0.332 19214 7625 1 10 . 1 1 555 555 ALA CA C 555 52.406 52.406 52.837 -0.431 19214 7626 1 10 . 1 1 555 555 ALA CB C 555 19.553 19.553 18.065 1.488 19214 7627 1 10 . 1 1 555 555 ALA H H 555 11.550 11.550 8.494 3.056 19214 7628 1 10 . 1 1 556 556 SER N N 556 111.945 111.945 112.234 -0.289 19214 7629 1 10 . 1 1 556 556 SER HA H 556 4.044 4.044 4.361 -0.317 19214 7630 1 10 . 1 1 556 556 SER C C 556 174.912 174.912 173.263 1.649 19214 7631 1 10 . 1 1 556 556 SER CA C 556 61.145 61.145 59.289 1.856 19214 7632 1 10 . 1 1 556 556 SER CB C 556 62.905 62.905 63.464 -0.559 19214 7633 1 10 . 1 1 556 556 SER H H 556 8.083 8.083 8.109 -0.026 19214 7634 1 10 . 1 1 557 557 GLU N N 557 117.238 117.238 116.161 1.077 19214 7635 1 10 . 1 1 557 557 GLU CA C 557 53.900 53.900 54.225 -0.325 19214 7636 1 10 . 1 1 557 557 GLU CB C 557 30.171 30.171 30.072 0.099 19214 7637 1 10 . 1 1 557 557 GLU H H 557 7.318 7.318 7.742 -0.424 19214 7638 1 10 . 1 1 558 558 PRO HA H 558 4.194 4.194 4.388 -0.194 19214 7639 1 10 . 1 1 558 558 PRO C C 558 174.855 174.855 175.617 -0.762 19214 7640 1 10 . 1 1 558 558 PRO CA C 558 62.915 62.915 63.077 -0.162 19214 7641 1 10 . 1 1 558 558 PRO CB C 558 32.862 32.862 32.137 0.725 19214 7642 1 10 . 1 1 559 559 ARG N N 559 121.957 121.957 122.657 -0.700 19214 7643 1 10 . 1 1 559 559 ARG HA H 559 3.945 3.945 4.382 -0.437 19214 7644 1 10 . 1 1 559 559 ARG C C 559 171.134 171.134 174.584 -3.450 19214 7645 1 10 . 1 1 559 559 ARG CA C 559 55.538 55.538 53.898 1.640 19214 7646 1 10 . 1 1 559 559 ARG CB C 559 33.169 33.169 31.694 1.475 19214 7647 1 10 . 1 1 559 559 ARG H H 559 7.836 7.836 7.865 -0.029 19214 7648 1 10 . 1 1 560 560 GLN N N 560 126.067 126.067 122.802 3.265 19214 7649 1 10 . 1 1 560 560 GLN HA H 560 4.372 4.372 3.636 0.736 19214 7650 1 10 . 1 1 560 560 GLN C C 560 175.848 175.848 175.088 0.760 19214 7651 1 10 . 1 1 560 560 GLN CA C 560 53.622 53.622 54.572 -0.950 19214 7652 1 10 . 1 1 560 560 GLN CB C 560 27.811 27.811 28.592 -0.781 19214 7653 1 10 . 1 1 560 560 GLN H H 560 8.332 8.332 8.238 0.094 19214 7654 1 10 . 1 1 561 561 TRP N N 561 133.373 133.373 127.275 6.098 19214 7655 1 10 . 1 1 561 561 TRP HA H 561 4.522 4.522 4.439 0.083 19214 7656 1 10 . 1 1 561 561 TRP C C 561 176.141 176.141 175.715 0.426 19214 7657 1 10 . 1 1 561 561 TRP CA C 561 56.337 56.337 56.798 -0.461 19214 7658 1 10 . 1 1 561 561 TRP CB C 561 28.840 28.840 29.627 -0.787 19214 7659 1 10 . 1 1 561 561 TRP H H 561 7.982 7.982 7.174 0.808 19214 7660 1 10 . 1 1 562 562 GLN N N 562 124.678 124.678 121.205 3.473 19214 7661 1 10 . 1 1 562 562 GLN HA H 562 4.454 4.454 4.520 -0.066 19214 7662 1 10 . 1 1 562 562 GLN C C 562 177.088 177.088 177.082 0.006 19214 7663 1 10 . 1 1 562 562 GLN CA C 562 54.676 54.676 55.043 -0.367 19214 7664 1 10 . 1 1 562 562 GLN CB C 562 30.526 30.526 29.924 0.602 19214 7665 1 10 . 1 1 562 562 GLN H H 562 9.763 9.763 8.515 1.248 19214 7666 1 10 . 1 1 563 563 GLU N N 563 124.545 124.545 125.202 -0.657 19214 7667 1 10 . 1 1 563 563 GLU HA H 563 3.907 3.907 3.992 -0.085 19214 7668 1 10 . 1 1 563 563 GLU C C 563 178.742 178.742 177.998 0.744 19214 7669 1 10 . 1 1 563 563 GLU CA C 563 61.275 61.275 60.369 0.906 19214 7670 1 10 . 1 1 563 563 GLU CB C 563 29.149 29.149 29.367 -0.218 19214 7671 1 10 . 1 1 563 563 GLU H H 563 9.210 9.210 9.049 0.161 19214 7672 1 10 . 1 1 564 564 ILE N N 564 115.275 115.275 117.586 -2.311 19214 7673 1 10 . 1 1 564 564 ILE HA H 564 4.208 4.208 3.986 0.222 19214 7674 1 10 . 1 1 564 564 ILE C C 564 177.462 177.462 177.964 -0.502 19214 7675 1 10 . 1 1 564 564 ILE CA C 564 63.380 63.380 63.587 -0.207 19214 7676 1 10 . 1 1 564 564 ILE CB C 564 37.828 37.828 36.454 1.374 19214 7677 1 10 . 1 1 564 564 ILE H H 564 8.496 8.496 8.226 0.270 19214 7678 1 10 . 1 1 565 565 GLU N N 565 121.174 121.174 120.559 0.615 19214 7679 1 10 . 1 1 565 565 GLU HA H 565 4.009 4.009 4.153 -0.144 19214 7680 1 10 . 1 1 565 565 GLU C C 565 178.217 178.217 179.526 -1.309 19214 7681 1 10 . 1 1 565 565 GLU CA C 565 58.713 58.713 59.620 -0.907 19214 7682 1 10 . 1 1 565 565 GLU CB C 565 29.685 29.685 29.235 0.449 19214 7683 1 10 . 1 1 565 565 GLU H H 565 6.668 6.668 7.490 -0.822 19214 7684 1 10 . 1 1 566 566 ILE N N 566 119.747 119.747 120.697 -0.950 19214 7685 1 10 . 1 1 566 566 ILE HA H 566 3.387 3.387 3.837 -0.450 19214 7686 1 10 . 1 1 566 566 ILE C C 566 178.911 178.911 178.171 0.740 19214 7687 1 10 . 1 1 566 566 ILE CA C 566 66.484 66.484 64.138 2.346 19214 7688 1 10 . 1 1 566 566 ILE CB C 566 38.410 38.410 36.706 1.704 19214 7689 1 10 . 1 1 566 566 ILE H H 566 8.165 8.165 8.791 -0.626 19214 7690 1 10 . 1 1 567 567 ASP N N 567 120.827 120.827 120.564 0.263 19214 7691 1 10 . 1 1 567 567 ASP HA H 567 4.373 4.373 4.390 -0.017 19214 7692 1 10 . 1 1 567 567 ASP C C 567 179.462 179.462 179.254 0.208 19214 7693 1 10 . 1 1 567 567 ASP CA C 567 57.949 57.949 57.708 0.241 19214 7694 1 10 . 1 1 567 567 ASP CB C 567 40.516 40.516 40.203 0.313 19214 7695 1 10 . 1 1 567 567 ASP H H 567 8.574 8.574 7.901 0.673 19214 7696 1 10 . 1 1 568 568 GLN N N 568 118.625 118.625 119.614 -0.989 19214 7697 1 10 . 1 1 568 568 GLN HA H 568 4.140 4.140 4.273 -0.133 19214 7698 1 10 . 1 1 568 568 GLN C C 568 179.204 179.204 178.687 0.517 19214 7699 1 10 . 1 1 568 568 GLN CA C 568 59.294 59.294 58.474 0.820 19214 7700 1 10 . 1 1 568 568 GLN CB C 568 29.558 29.558 29.037 0.521 19214 7701 1 10 . 1 1 568 568 GLN H H 568 8.321 8.321 8.181 0.140 19214 7702 1 10 . 1 1 569 569 PHE N N 569 124.764 124.764 121.131 3.633 19214 7703 1 10 . 1 1 569 569 PHE HA H 569 4.310 4.310 4.211 0.099 19214 7704 1 10 . 1 1 569 569 PHE C C 569 177.387 177.387 177.233 0.154 19214 7705 1 10 . 1 1 569 569 PHE CA C 569 61.106 61.106 60.700 0.406 19214 7706 1 10 . 1 1 569 569 PHE CB C 569 40.452 40.452 39.177 1.275 19214 7707 1 10 . 1 1 569 569 PHE H H 569 8.999 8.999 8.493 0.506 19214 7708 1 10 . 1 1 570 570 SER N N 570 113.882 113.882 115.686 -1.804 19214 7709 1 10 . 1 1 570 570 SER HA H 570 4.145 4.145 3.921 0.224 19214 7710 1 10 . 1 1 570 570 SER C C 570 177.181 177.181 176.668 0.513 19214 7711 1 10 . 1 1 570 570 SER CA C 570 61.933 61.933 62.424 -0.491 19214 7712 1 10 . 1 1 570 570 SER CB C 570 63.049 63.049 62.915 0.134 19214 7713 1 10 . 1 1 570 570 SER H H 570 8.979 8.979 8.740 0.239 19214 7714 1 10 . 1 1 571 571 GLU N N 571 123.710 123.710 122.234 1.476 19214 7715 1 10 . 1 1 571 571 GLU HA H 571 4.146 4.146 3.959 0.187 19214 7716 1 10 . 1 1 571 571 GLU C C 571 179.006 179.006 178.808 0.198 19214 7717 1 10 . 1 1 571 571 GLU CA C 571 59.437 59.437 59.181 0.256 19214 7718 1 10 . 1 1 571 571 GLU CB C 571 29.269 29.269 29.602 -0.333 19214 7719 1 10 . 1 1 571 571 GLU H H 571 8.282 8.282 7.844 0.438 19214 7720 1 10 . 1 1 572 572 LEU N N 572 123.115 123.115 120.864 2.251 19214 7721 1 10 . 1 1 572 572 LEU HA H 572 4.030 4.030 3.962 0.068 19214 7722 1 10 . 1 1 572 572 LEU C C 572 178.204 178.204 178.186 0.018 19214 7723 1 10 . 1 1 572 572 LEU CA C 572 58.186 58.186 58.063 0.123 19214 7724 1 10 . 1 1 572 572 LEU CB C 572 41.303 41.303 41.624 -0.321 19214 7725 1 10 . 1 1 572 572 LEU H H 572 7.722 7.722 7.564 0.158 19214 7726 1 10 . 1 1 573 573 ALA N N 573 120.384 120.384 120.081 0.303 19214 7727 1 10 . 1 1 573 573 ALA HA H 573 3.703 3.703 3.892 -0.189 19214 7728 1 10 . 1 1 573 573 ALA C C 573 180.276 180.276 179.653 0.623 19214 7729 1 10 . 1 1 573 573 ALA CA C 573 55.577 55.577 54.739 0.838 19214 7730 1 10 . 1 1 573 573 ALA CB C 573 19.090 19.090 17.967 1.123 19214 7731 1 10 . 1 1 573 573 ALA H H 573 7.701 7.701 7.449 0.252 19214 7732 1 10 . 1 1 574 574 SER N N 574 116.150 116.150 113.184 2.966 19214 7733 1 10 . 1 1 574 574 SER HA H 574 4.373 4.373 4.147 0.226 19214 7734 1 10 . 1 1 574 574 SER C C 574 177.259 177.259 176.479 0.780 19214 7735 1 10 . 1 1 574 574 SER CA C 574 61.851 61.851 60.861 0.991 19214 7736 1 10 . 1 1 574 574 SER CB C 574 62.460 62.460 62.964 -0.504 19214 7737 1 10 . 1 1 574 574 SER H H 574 8.679 8.679 8.165 0.514 19214 7738 1 10 . 1 1 575 575 THR N N 575 120.316 120.316 117.839 2.477 19214 7739 1 10 . 1 1 575 575 THR HA H 575 3.985 3.985 3.902 0.083 19214 7740 1 10 . 1 1 575 575 THR C C 575 177.023 177.023 177.110 -0.087 19214 7741 1 10 . 1 1 575 575 THR CA C 575 66.859 66.859 66.607 0.252 19214 7742 1 10 . 1 1 575 575 THR CB C 575 68.370 68.370 68.380 -0.010 19214 7743 1 10 . 1 1 575 575 THR H H 575 8.685 8.685 8.092 0.593 19214 7744 1 10 . 1 1 576 576 GLY N N 576 107.996 107.996 109.503 -1.507 19214 7745 1 10 . 1 1 576 576 GLY C C 576 174.096 174.096 175.541 -1.445 19214 7746 1 10 . 1 1 576 576 GLY CA C 576 47.730 47.730 47.297 0.433 19214 7747 1 10 . 1 1 576 576 GLY H H 576 8.565 8.565 7.821 0.744 19214 7748 1 10 . 1 1 577 577 SER N N 577 118.026 118.026 117.918 0.108 19214 7749 1 10 . 1 1 577 577 SER HA H 577 3.840 3.840 3.961 -0.121 19214 7750 1 10 . 1 1 577 577 SER CA C 577 63.146 63.146 61.243 1.903 19214 7751 1 10 . 1 1 577 577 SER H H 577 8.425 8.425 7.342 1.083 19214 7752 1 10 . 1 1 578 578 LEU HA H 578 3.700 3.700 3.946 -0.246 19214 7753 1 10 . 1 1 578 578 LEU C C 578 179.316 179.316 178.677 0.639 19214 7754 1 10 . 1 1 578 578 LEU CA C 578 57.995 57.995 57.742 0.253 19214 7755 1 10 . 1 1 578 578 LEU CB C 578 41.739 41.739 41.362 0.377 19214 7756 1 10 . 1 1 579 579 VAL N N 579 122.330 122.330 118.773 3.557 19214 7757 1 10 . 1 1 579 579 VAL CB C 579 31.123 31.123 32.102 -0.980 19214 7758 1 10 . 1 1 579 579 VAL H H 579 8.773 8.773 7.253 1.520 19214 7759 1 10 . 1 1 584 584 HIS HA H 584 4.332 4.332 4.228 0.104 19214 7760 1 10 . 1 1 584 584 HIS C C 584 177.320 177.320 177.546 -0.226 19214 7761 1 10 . 1 1 584 584 HIS CA C 584 59.034 59.034 60.380 -1.346 19214 7762 1 10 . 1 1 584 584 HIS CB C 584 29.981 29.981 29.758 0.223 19214 7763 1 10 . 1 1 585 585 PHE N N 585 118.557 118.557 117.530 1.027 19214 7764 1 10 . 1 1 585 585 PHE HA H 585 4.316 4.316 4.229 0.087 19214 7765 1 10 . 1 1 585 585 PHE C C 585 178.195 178.195 177.378 0.817 19214 7766 1 10 . 1 1 585 585 PHE CA C 585 60.326 60.326 61.521 -1.195 19214 7767 1 10 . 1 1 585 585 PHE CB C 585 38.773 38.773 38.834 -0.061 19214 7768 1 10 . 1 1 585 585 PHE H H 585 8.065 8.065 7.904 0.161 19214 7769 1 10 . 1 1 586 586 LEU N N 586 121.964 121.964 122.885 -0.921 19214 7770 1 10 . 1 1 586 586 LEU HA H 586 4.060 4.060 4.057 0.003 19214 7771 1 10 . 1 1 586 586 LEU C C 586 178.863 178.863 178.977 -0.114 19214 7772 1 10 . 1 1 586 586 LEU CA C 586 57.423 57.423 58.253 -0.830 19214 7773 1 10 . 1 1 586 586 LEU CB C 586 42.042 42.042 41.760 0.282 19214 7774 1 10 . 1 1 586 586 LEU H H 586 8.153 8.153 8.596 -0.443 19214 7775 1 10 . 1 1 587 587 GLU N N 587 119.163 119.163 116.973 2.190 19214 7776 1 10 . 1 1 587 587 GLU HA H 587 4.016 4.016 3.916 0.100 19214 7777 1 10 . 1 1 587 587 GLU C C 587 178.330 178.330 179.398 -1.068 19214 7778 1 10 . 1 1 587 587 GLU CA C 587 58.475 58.475 59.488 -1.013 19214 7779 1 10 . 1 1 587 587 GLU CB C 587 29.825 29.825 28.911 0.914 19214 7780 1 10 . 1 1 587 587 GLU H H 587 8.234 8.234 8.658 -0.424 19214 7781 1 10 . 1 1 588 588 GLN N N 588 118.390 118.390 118.127 0.263 19214 7782 1 10 . 1 1 588 588 GLN HA H 588 4.136 4.136 4.090 0.046 19214 7783 1 10 . 1 1 588 588 GLN C C 588 177.452 177.452 178.904 -1.452 19214 7784 1 10 . 1 1 588 588 GLN CA C 588 57.188 57.188 58.238 -1.050 19214 7785 1 10 . 1 1 588 588 GLN CB C 588 28.932 28.932 28.183 0.749 19214 7786 1 10 . 1 1 588 588 GLN H H 588 8.003 8.003 7.442 0.561 19214 7787 1 10 . 1 1 589 589 THR N N 589 115.070 115.070 115.219 -0.149 19214 7788 1 10 . 1 1 589 589 THR HA H 589 4.136 4.136 4.015 0.121 19214 7789 1 10 . 1 1 589 589 THR C C 589 175.620 175.620 176.917 -1.297 19214 7790 1 10 . 1 1 589 589 THR CA C 589 63.840 63.840 65.439 -1.599 19214 7791 1 10 . 1 1 589 589 THR CB C 589 69.380 69.380 68.380 1.000 19214 7792 1 10 . 1 1 589 589 THR H H 589 7.957 7.957 8.584 -0.627 19214 7793 1 10 . 1 1 590 590 ILE N N 590 122.655 122.655 121.740 0.915 19214 7794 1 10 . 1 1 590 590 ILE HA H 590 3.926 3.926 3.786 0.140 19214 7795 1 10 . 1 1 590 590 ILE C C 590 176.914 176.914 177.441 -0.527 19214 7796 1 10 . 1 1 590 590 ILE CA C 590 62.663 62.663 64.031 -1.368 19214 7797 1 10 . 1 1 590 590 ILE CB C 590 38.222 38.222 37.642 0.580 19214 7798 1 10 . 1 1 590 590 ILE H H 590 7.985 7.985 7.913 0.072 19214 7799 1 10 . 1 1 591 591 ALA N N 591 125.105 125.105 122.445 2.660 19214 7800 1 10 . 1 1 591 591 ALA HA H 591 4.181 4.181 4.079 0.102 19214 7801 1 10 . 1 1 591 591 ALA C C 591 178.466 178.466 178.706 -0.240 19214 7802 1 10 . 1 1 591 591 ALA CA C 591 53.502 53.502 54.337 -0.835 19214 7803 1 10 . 1 1 591 591 ALA CB C 591 18.788 18.788 18.774 0.014 19214 7804 1 10 . 1 1 591 591 ALA H H 591 8.086 8.086 7.738 0.348 19214 7805 1 10 . 1 1 592 592 SER N N 592 113.591 113.591 113.719 -0.128 19214 7806 1 10 . 1 1 592 592 SER HA H 592 4.298 4.298 4.325 -0.027 19214 7807 1 10 . 1 1 592 592 SER C C 592 174.886 174.886 174.872 0.014 19214 7808 1 10 . 1 1 592 592 SER CA C 592 58.939 58.939 59.180 -0.241 19214 7809 1 10 . 1 1 592 592 SER CB C 592 63.738 63.738 63.630 0.107 19214 7810 1 10 . 1 1 592 592 SER H H 592 7.957 7.957 7.860 0.097 19214 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 127 3.219 -0.576 3.180 19214 2 1 1 "Average Difference" HA 139 0.349 -0.061 0.345 19214 3 1 1 "Average Difference" C 128 1.170 0.045 1.173 19214 4 1 1 "Average Difference" CA 137 1.154 0.059 1.157 19214 5 1 1 "Average Difference" CB 133 1.290 -0.338 1.250 19214 6 1 1 "Average Difference" HN 127 0.715 -0.214 0.685 19214 7 1 2 "Average Difference" N 127 2.920 -0.581 2.873 19214 8 1 2 "Average Difference" HA 139 0.346 -0.050 0.344 19214 9 1 2 "Average Difference" C 128 1.188 0.058 1.192 19214 10 1 2 "Average Difference" CA 137 1.107 0.045 1.110 19214 11 1 2 "Average Difference" CB 133 1.322 -0.306 1.291 19214 12 1 2 "Average Difference" HN 127 0.712 -0.206 0.684 19214 13 1 3 "Average Difference" N 127 2.944 -0.434 2.923 19214 14 1 3 "Average Difference" HA 139 0.340 -0.060 0.336 19214 15 1 3 "Average Difference" C 128 1.175 0.002 1.180 19214 16 1 3 "Average Difference" CA 137 1.085 0.029 1.089 19214 17 1 3 "Average Difference" CB 133 1.321 -0.360 1.276 19214 18 1 3 "Average Difference" HN 127 0.728 -0.233 0.692 19214 19 1 4 "Average Difference" N 127 3.071 -0.469 3.047 19214 20 1 4 "Average Difference" HA 139 0.331 -0.052 0.328 19214 21 1 4 "Average Difference" C 128 1.173 0.078 1.175 19214 22 1 4 "Average Difference" CA 137 1.169 0.020 1.173 19214 23 1 4 "Average Difference" CB 133 1.343 -0.359 1.299 19214 24 1 4 "Average Difference" HN 127 0.711 -0.210 0.682 19214 25 1 5 "Average Difference" N 127 3.231 -0.571 3.193 19214 26 1 5 "Average Difference" HA 139 0.349 -0.045 0.348 19214 27 1 5 "Average Difference" C 128 1.162 0.050 1.165 19214 28 1 5 "Average Difference" CA 137 1.220 0.030 1.224 19214 29 1 5 "Average Difference" CB 133 1.334 -0.319 1.300 19214 30 1 5 "Average Difference" HN 127 0.745 -0.220 0.714 19214 31 1 6 "Average Difference" N 127 3.094 -0.610 3.045 19214 32 1 6 "Average Difference" HA 139 0.331 -0.065 0.326 19214 33 1 6 "Average Difference" C 128 1.189 0.035 1.194 19214 34 1 6 "Average Difference" CA 137 1.211 0.116 1.210 19214 35 1 6 "Average Difference" CB 133 1.308 -0.337 1.268 19214 36 1 6 "Average Difference" HN 127 0.711 -0.252 0.667 19214 37 1 7 "Average Difference" N 127 3.187 -0.496 3.160 19214 38 1 7 "Average Difference" HA 139 0.346 -0.052 0.344 19214 39 1 7 "Average Difference" C 128 1.213 0.079 1.215 19214 40 1 7 "Average Difference" CA 137 1.172 0.063 1.174 19214 41 1 7 "Average Difference" CB 133 1.284 -0.370 1.234 19214 42 1 7 "Average Difference" HN 127 0.713 -0.206 0.685 19214 43 1 8 "Average Difference" N 127 3.172 -0.593 3.128 19214 44 1 8 "Average Difference" HA 139 0.337 -0.053 0.335 19214 45 1 8 "Average Difference" C 128 1.214 0.052 1.218 19214 46 1 8 "Average Difference" CA 137 1.162 0.075 1.164 19214 47 1 8 "Average Difference" CB 133 1.309 -0.379 1.258 19214 48 1 8 "Average Difference" HN 127 0.727 -0.215 0.698 19214 49 1 9 "Average Difference" N 127 3.384 -0.629 3.338 19214 50 1 9 "Average Difference" HA 139 0.332 -0.062 0.327 19214 51 1 9 "Average Difference" C 128 1.156 0.067 1.159 19214 52 1 9 "Average Difference" CA 137 1.166 0.032 1.170 19214 53 1 9 "Average Difference" CB 133 1.310 -0.379 1.258 19214 54 1 9 "Average Difference" HN 127 0.729 -0.198 0.704 19214 55 1 10 "Average Difference" N 127 3.290 -0.462 3.270 19214 56 1 10 "Average Difference" HA 139 0.342 -0.040 0.341 19214 57 1 10 "Average Difference" C 128 1.181 0.034 1.186 19214 58 1 10 "Average Difference" CA 137 1.171 0.010 1.176 19214 59 1 10 "Average Difference" CB 133 1.301 -0.341 1.261 19214 60 1 10 "Average Difference" HN 127 0.709 -0.201 0.682 19214 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 19214 _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 1 431 431 ALA HA H 431 4.315 4.315 4.325 -0.010 19214 2 1 . 1 1 431 431 ALA C C 431 177.643 177.643 177.818 -0.175 19214 3 1 . 1 1 431 431 ALA CA C 431 52.380 52.380 52.186 0.194 19214 4 1 . 1 1 431 431 ALA CB C 431 19.190 19.190 18.910 0.281 19214 5 1 . 1 1 432 432 VAL N N 432 120.312 120.312 121.850 -1.538 19214 6 1 . 1 1 432 432 VAL HA H 432 4.019 4.019 3.808 0.211 19214 7 1 . 1 1 432 432 VAL C C 432 175.763 175.763 177.170 -1.407 19214 8 1 . 1 1 432 432 VAL CA C 432 62.234 62.234 64.202 -1.968 19214 9 1 . 1 1 432 432 VAL CB C 432 33.009 33.009 32.200 0.809 19214 10 1 . 1 1 432 432 VAL H H 432 8.178 8.178 8.412 -0.234 19214 11 1 . 1 1 433 433 GLN N N 433 124.379 124.379 118.591 5.788 19214 12 1 . 1 1 433 433 GLN CB C 433 29.519 29.519 28.178 1.341 19214 13 1 . 1 1 433 433 GLN H H 433 8.502 8.502 8.458 0.044 19214 14 1 . 1 1 435 435 SER HA H 435 4.069 4.069 4.205 -0.136 19214 15 1 . 1 1 435 435 SER C C 435 178.994 178.994 175.626 3.368 19214 16 1 . 1 1 435 435 SER CA C 435 60.511 60.511 61.027 -0.516 19214 17 1 . 1 1 435 435 SER CB C 435 62.860 62.860 62.899 -0.039 19214 18 1 . 1 1 436 436 GLU N N 436 119.753 119.753 119.561 0.192 19214 19 1 . 1 1 436 436 GLU HA H 436 4.293 4.293 4.239 0.054 19214 20 1 . 1 1 436 436 GLU C C 436 176.644 176.644 175.979 0.665 19214 21 1 . 1 1 436 436 GLU CA C 436 56.016 56.016 56.477 -0.461 19214 22 1 . 1 1 436 436 GLU CB C 436 30.335 30.335 29.612 0.723 19214 23 1 . 1 1 436 436 GLU H H 436 7.805 7.805 7.763 0.042 19214 24 1 . 1 1 437 437 LEU N N 437 120.618 120.618 121.081 -0.463 19214 25 1 . 1 1 437 437 LEU HA H 437 4.150 4.150 4.302 -0.152 19214 26 1 . 1 1 437 437 LEU CA C 437 55.497 55.497 55.266 0.231 19214 27 1 . 1 1 437 437 LEU CB C 437 43.460 43.460 41.781 1.679 19214 28 1 . 1 1 437 437 LEU H H 437 7.352 7.352 7.371 -0.019 19214 29 1 . 1 1 440 440 ARG HA H 440 3.240 3.240 3.978 -0.738 19214 30 1 . 1 1 440 440 ARG C C 440 175.895 175.895 178.007 -2.112 19214 31 1 . 1 1 440 440 ARG CA C 440 60.040 60.040 59.329 0.711 19214 32 1 . 1 1 440 440 ARG CB C 440 30.218 30.218 30.364 -0.147 19214 33 1 . 1 1 441 441 GLN N N 441 117.761 117.761 117.644 0.117 19214 34 1 . 1 1 441 441 GLN HA H 441 3.894 3.894 4.312 -0.418 19214 35 1 . 1 1 441 441 GLN C C 441 177.959 177.959 178.160 -0.201 19214 36 1 . 1 1 441 441 GLN CA C 441 58.904 58.904 58.791 0.113 19214 37 1 . 1 1 441 441 GLN CB C 441 27.387 27.387 28.158 -0.771 19214 38 1 . 1 1 441 441 GLN H H 441 8.075 8.075 8.470 -0.395 19214 39 1 . 1 1 442 442 ALA N N 442 120.325 120.325 123.664 -3.339 19214 40 1 . 1 1 442 442 ALA HA H 442 4.142 4.142 4.081 0.061 19214 41 1 . 1 1 442 442 ALA C C 442 181.535 181.535 179.716 1.819 19214 42 1 . 1 1 442 442 ALA CA C 442 54.843 54.843 55.301 -0.458 19214 43 1 . 1 1 442 442 ALA CB C 442 18.746 18.746 18.089 0.657 19214 44 1 . 1 1 442 442 ALA H H 442 7.859 7.859 7.917 -0.058 19214 45 1 . 1 1 443 443 ILE N N 443 120.878 120.878 114.714 6.164 19214 46 1 . 1 1 443 443 ILE HA H 443 3.412 3.412 3.640 -0.228 19214 47 1 . 1 1 443 443 ILE C C 443 177.554 177.554 177.555 -0.001 19214 48 1 . 1 1 443 443 ILE CA C 443 65.839 65.839 64.436 1.403 19214 49 1 . 1 1 443 443 ILE CB C 443 37.236 37.236 37.182 0.054 19214 50 1 . 1 1 443 443 ILE H H 443 7.668 7.668 7.383 0.285 19214 51 1 . 1 1 444 444 PHE N N 444 119.157 119.157 120.540 -1.383 19214 52 1 . 1 1 444 444 PHE HA H 444 4.364 4.364 4.219 0.145 19214 53 1 . 1 1 444 444 PHE C C 444 178.054 178.054 177.857 0.197 19214 54 1 . 1 1 444 444 PHE CA C 444 58.952 58.952 61.509 -2.557 19214 55 1 . 1 1 444 444 PHE CB C 444 37.948 37.948 38.873 -0.925 19214 56 1 . 1 1 444 444 PHE H H 444 8.128 8.128 7.407 0.721 19214 57 1 . 1 1 445 445 GLU N N 445 116.382 116.382 118.579 -2.197 19214 58 1 . 1 1 445 445 GLU HA H 445 3.985 3.985 4.093 -0.107 19214 59 1 . 1 1 445 445 GLU C C 445 179.563 179.563 179.587 -0.024 19214 60 1 . 1 1 445 445 GLU CA C 445 59.156 59.156 59.589 -0.433 19214 61 1 . 1 1 445 445 GLU CB C 445 29.177 29.177 29.230 -0.053 19214 62 1 . 1 1 445 445 GLU H H 445 8.711 8.711 9.092 -0.381 19214 63 1 . 1 1 446 446 THR N N 446 118.118 118.118 116.816 1.302 19214 64 1 . 1 1 446 446 THR HA H 446 4.066 4.066 4.095 -0.029 19214 65 1 . 1 1 446 446 THR C C 446 175.861 175.861 176.397 -0.536 19214 66 1 . 1 1 446 446 THR CA C 446 67.041 67.041 66.508 0.533 19214 67 1 . 1 1 446 446 THR CB C 446 68.218 68.218 68.741 -0.523 19214 68 1 . 1 1 446 446 THR H H 446 8.105 8.105 7.781 0.324 19214 69 1 . 1 1 447 447 LEU N N 447 121.874 121.874 121.814 0.060 19214 70 1 . 1 1 447 447 LEU HA H 447 3.852 3.852 3.875 -0.023 19214 71 1 . 1 1 447 447 LEU C C 447 179.512 179.512 178.814 0.698 19214 72 1 . 1 1 447 447 LEU CA C 447 58.956 58.956 58.138 0.818 19214 73 1 . 1 1 447 447 LEU CB C 447 42.493 42.493 41.291 1.202 19214 74 1 . 1 1 447 447 LEU H H 447 8.552 8.552 7.466 1.086 19214 75 1 . 1 1 448 448 VAL N N 448 108.313 108.313 118.155 -9.842 19214 76 1 . 1 1 448 448 VAL HA H 448 4.039 4.039 3.713 0.326 19214 77 1 . 1 1 448 448 VAL C C 448 177.323 177.323 176.915 0.408 19214 78 1 . 1 1 448 448 VAL CA C 448 64.562 64.562 65.993 -1.431 19214 79 1 . 1 1 448 448 VAL CB C 448 30.055 30.055 31.634 -1.579 19214 80 1 . 1 1 448 448 VAL H H 448 7.695 7.695 7.565 0.130 19214 81 1 . 1 1 449 449 ALA N N 449 124.683 124.683 122.199 2.484 19214 82 1 . 1 1 449 449 ALA HA H 449 4.246 4.246 4.017 0.229 19214 83 1 . 1 1 449 449 ALA C C 449 181.275 181.275 179.819 1.456 19214 84 1 . 1 1 449 449 ALA CA C 449 55.054 55.054 55.285 -0.231 19214 85 1 . 1 1 449 449 ALA CB C 449 18.528 18.528 18.145 0.383 19214 86 1 . 1 1 449 449 ALA H H 449 7.421 7.421 7.593 -0.172 19214 87 1 . 1 1 450 450 LYS N N 450 118.092 118.092 118.608 -0.516 19214 88 1 . 1 1 450 450 LYS HA H 450 4.170 4.170 4.163 0.007 19214 89 1 . 1 1 450 450 LYS C C 450 180.083 180.083 179.413 0.670 19214 90 1 . 1 1 450 450 LYS CA C 450 58.219 58.219 59.105 -0.886 19214 91 1 . 1 1 450 450 LYS CB C 450 31.697 31.697 32.584 -0.887 19214 92 1 . 1 1 450 450 LYS H H 450 8.806 8.806 8.121 0.685 19214 93 1 . 1 1 451 451 GLY N N 451 108.217 108.217 108.330 -0.113 19214 94 1 . 1 1 451 451 GLY C C 451 173.724 173.724 175.942 -2.218 19214 95 1 . 1 1 451 451 GLY CA C 451 47.965 47.965 47.531 0.434 19214 96 1 . 1 1 451 451 GLY H H 451 8.816 8.816 8.769 0.047 19214 97 1 . 1 1 452 452 ARG N N 452 122.310 122.310 121.305 1.005 19214 98 1 . 1 1 452 452 ARG HA H 452 4.100 4.100 3.984 0.116 19214 99 1 . 1 1 452 452 ARG C C 452 178.908 178.908 177.826 1.082 19214 100 1 . 1 1 452 452 ARG CA C 452 60.504 60.504 59.544 0.960 19214 101 1 . 1 1 452 452 ARG CB C 452 30.208 30.208 30.104 0.104 19214 102 1 . 1 1 452 452 ARG H H 452 8.190 8.190 8.195 -0.005 19214 103 1 . 1 1 453 453 GLU N N 453 119.749 119.749 118.458 1.291 19214 104 1 . 1 1 453 453 GLU HA H 453 4.076 4.076 4.173 -0.097 19214 105 1 . 1 1 453 453 GLU C C 453 178.638 178.638 178.726 -0.088 19214 106 1 . 1 1 453 453 GLU CA C 453 58.999 58.999 58.722 0.277 19214 107 1 . 1 1 453 453 GLU CB C 453 30.188 30.188 29.710 0.478 19214 108 1 . 1 1 453 453 GLU H H 453 7.872 7.872 7.510 0.362 19214 109 1 . 1 1 454 454 LEU N N 454 119.235 119.235 119.082 0.153 19214 110 1 . 1 1 454 454 LEU HA H 454 4.157 4.157 4.112 0.045 19214 111 1 . 1 1 454 454 LEU C C 454 178.446 178.446 178.853 -0.407 19214 112 1 . 1 1 454 454 LEU CA C 454 57.868 57.868 57.796 0.072 19214 113 1 . 1 1 454 454 LEU CB C 454 43.001 43.001 42.503 0.498 19214 114 1 . 1 1 454 454 LEU H H 454 8.275 8.275 8.424 -0.149 19214 115 1 . 1 1 455 455 LEU N N 455 112.983 112.983 115.431 -2.448 19214 116 1 . 1 1 455 455 LEU HA H 455 4.406 4.406 4.251 0.155 19214 117 1 . 1 1 455 455 LEU C C 455 177.047 177.047 176.974 0.073 19214 118 1 . 1 1 455 455 LEU CA C 455 54.730 54.730 55.620 -0.890 19214 119 1 . 1 1 455 455 LEU CB C 455 43.848 43.848 42.387 1.461 19214 120 1 . 1 1 455 455 LEU H H 455 7.393 7.393 8.324 -0.931 19214 121 1 . 1 1 456 456 ALA N N 456 124.090 124.090 117.614 6.476 19214 122 1 . 1 1 456 456 ALA HA H 456 4.239 4.239 4.072 0.167 19214 123 1 . 1 1 456 456 ALA C C 456 177.010 177.010 177.110 -0.100 19214 124 1 . 1 1 456 456 ALA CA C 456 52.955 52.955 52.636 0.320 19214 125 1 . 1 1 456 456 ALA CB C 456 16.479 16.479 16.357 0.122 19214 126 1 . 1 1 456 456 ALA H H 456 8.567 8.567 7.643 0.924 19214 127 1 . 1 1 457 457 CYS N N 457 111.388 111.388 116.362 -4.975 19214 128 1 . 1 1 457 457 CYS HA H 457 5.658 5.658 4.512 1.146 19214 129 1 . 1 1 457 457 CYS C C 457 173.094 173.094 174.752 -1.658 19214 130 1 . 1 1 457 457 CYS CA C 457 54.770 54.770 57.912 -3.142 19214 131 1 . 1 1 457 457 CYS CB C 457 29.803 29.803 29.468 0.335 19214 132 1 . 1 1 457 457 CYS H H 457 6.942 6.942 7.677 -0.735 19214 133 1 . 1 1 458 458 ASP N N 458 117.058 117.058 119.722 -2.663 19214 134 1 . 1 1 458 458 ASP HA H 458 4.808 4.808 4.742 0.066 19214 135 1 . 1 1 458 458 ASP C C 458 175.313 175.313 175.327 -0.014 19214 136 1 . 1 1 458 458 ASP CA C 458 57.780 57.780 54.895 2.885 19214 137 1 . 1 1 458 458 ASP CB C 458 42.699 42.699 42.819 -0.120 19214 138 1 . 1 1 458 458 ASP H H 458 7.157 7.157 8.456 -1.299 19214 139 1 . 1 1 459 459 ARG N N 459 117.570 117.570 117.266 0.304 19214 140 1 . 1 1 459 459 ARG HA H 459 5.396 5.396 4.629 0.767 19214 141 1 . 1 1 459 459 ARG C C 459 174.465 174.465 173.809 0.656 19214 142 1 . 1 1 459 459 ARG CA C 459 55.628 55.628 55.491 0.137 19214 143 1 . 1 1 459 459 ARG CB C 459 35.127 35.127 33.966 1.161 19214 144 1 . 1 1 459 459 ARG H H 459 7.946 7.946 7.546 0.400 19214 145 1 . 1 1 460 460 VAL N N 460 126.878 126.878 122.304 4.574 19214 146 1 . 1 1 460 460 VAL HA H 460 5.410 5.410 4.539 0.871 19214 147 1 . 1 1 460 460 VAL C C 460 174.698 174.698 173.727 0.971 19214 148 1 . 1 1 460 460 VAL CA C 460 61.229 61.229 61.317 -0.088 19214 149 1 . 1 1 460 460 VAL CB C 460 35.335 35.335 36.178 -0.843 19214 150 1 . 1 1 460 460 VAL H H 460 9.200 9.200 8.666 0.534 19214 151 1 . 1 1 461 461 ILE N N 461 120.070 120.070 120.946 -0.876 19214 152 1 . 1 1 461 461 ILE HA H 461 5.198 5.198 4.775 0.423 19214 153 1 . 1 1 461 461 ILE C C 461 174.647 174.647 173.524 1.123 19214 154 1 . 1 1 461 461 ILE CA C 461 59.112 59.112 59.739 -0.627 19214 155 1 . 1 1 461 461 ILE CB C 461 42.959 42.959 42.140 0.819 19214 156 1 . 1 1 461 461 ILE H H 461 9.247 9.247 8.646 0.601 19214 157 1 . 1 1 462 462 VAL N N 462 118.676 118.676 122.643 -3.967 19214 158 1 . 1 1 462 462 VAL HA H 462 4.668 4.668 4.551 0.117 19214 159 1 . 1 1 462 462 VAL C C 462 173.970 173.970 174.855 -0.885 19214 160 1 . 1 1 462 462 VAL CA C 462 61.528 61.528 61.123 0.405 19214 161 1 . 1 1 462 462 VAL CB C 462 33.865 33.865 33.481 0.384 19214 162 1 . 1 1 462 462 VAL H H 462 7.400 7.400 8.731 -1.331 19214 163 1 . 1 1 463 463 TYR N N 463 131.551 131.551 125.507 6.044 19214 164 1 . 1 1 463 463 TYR HA H 463 4.937 4.937 5.438 -0.501 19214 165 1 . 1 1 463 463 TYR C C 463 173.196 173.196 172.596 0.600 19214 166 1 . 1 1 463 463 TYR CA C 463 55.589 55.589 55.676 -0.087 19214 167 1 . 1 1 463 463 TYR CB C 463 41.849 41.849 42.068 -0.219 19214 168 1 . 1 1 463 463 TYR H H 463 8.782 8.782 8.052 0.730 19214 169 1 . 1 1 464 464 ALA N N 464 127.436 127.436 123.240 4.196 19214 170 1 . 1 1 464 464 ALA HA H 464 4.418 4.418 4.281 0.137 19214 171 1 . 1 1 464 464 ALA C C 464 175.095 175.095 174.449 0.646 19214 172 1 . 1 1 464 464 ALA CA C 464 50.422 50.422 49.569 0.853 19214 173 1 . 1 1 464 464 ALA CB C 464 22.676 22.676 22.357 0.319 19214 174 1 . 1 1 464 464 ALA H H 464 8.295 8.295 7.859 0.436 19214 175 1 . 1 1 465 465 PHE N N 465 116.385 116.385 118.544 -2.159 19214 176 1 . 1 1 465 465 PHE HA H 465 4.434 4.434 4.882 -0.448 19214 177 1 . 1 1 465 465 PHE C C 465 176.189 176.189 175.341 0.848 19214 178 1 . 1 1 465 465 PHE CA C 465 56.771 56.771 57.212 -0.442 19214 179 1 . 1 1 465 465 PHE CB C 465 42.082 42.082 38.854 3.228 19214 180 1 . 1 1 465 465 PHE H H 465 7.426 7.426 8.132 -0.706 19214 181 1 . 1 1 466 466 ASP N N 466 121.980 121.980 124.429 -2.449 19214 182 1 . 1 1 466 466 ASP HA H 466 4.765 4.765 4.386 0.379 19214 183 1 . 1 1 466 466 ASP C C 466 178.212 178.212 177.150 1.062 19214 184 1 . 1 1 466 466 ASP CA C 466 52.007 52.007 53.403 -1.397 19214 185 1 . 1 1 466 466 ASP CB C 466 41.201 41.201 42.152 -0.952 19214 186 1 . 1 1 466 466 ASP H H 466 8.012 8.012 7.848 0.164 19214 187 1 . 1 1 467 467 ASP N N 467 116.915 116.915 118.606 -1.691 19214 188 1 . 1 1 467 467 ASP HA H 467 4.146 4.146 4.404 -0.258 19214 189 1 . 1 1 467 467 ASP C C 467 176.189 176.189 175.119 1.070 19214 190 1 . 1 1 467 467 ASP CA C 467 56.172 56.172 54.853 1.318 19214 191 1 . 1 1 467 467 ASP CB C 467 40.189 40.189 40.228 -0.039 19214 192 1 . 1 1 467 467 ASP H H 467 8.335 8.335 8.563 -0.228 19214 193 1 . 1 1 468 468 ASN N N 468 116.918 116.918 116.541 0.377 19214 194 1 . 1 1 468 468 ASN HA H 468 4.689 4.689 4.524 0.165 19214 195 1 . 1 1 468 468 ASN C C 468 174.068 174.068 174.794 -0.726 19214 196 1 . 1 1 468 468 ASN CA C 468 52.711 52.711 52.191 0.520 19214 197 1 . 1 1 468 468 ASN CB C 468 39.418 39.418 38.621 0.797 19214 198 1 . 1 1 468 468 ASN H H 468 8.237 8.237 7.822 0.414 19214 199 1 . 1 1 469 469 TYR N N 469 113.180 113.180 115.052 -1.872 19214 200 1 . 1 1 469 469 TYR HA H 469 3.614 3.614 4.127 -0.513 19214 201 1 . 1 1 469 469 TYR C C 469 173.766 173.766 174.287 -0.521 19214 202 1 . 1 1 469 469 TYR CA C 469 60.636 60.636 58.787 1.849 19214 203 1 . 1 1 469 469 TYR CB C 469 34.697 34.697 35.552 -0.855 19214 204 1 . 1 1 469 469 TYR H H 469 7.975 7.975 7.234 0.741 19214 205 1 . 1 1 470 470 VAL N N 470 120.871 120.871 118.338 2.533 19214 206 1 . 1 1 470 470 VAL HA H 470 4.100 4.100 4.355 -0.255 19214 207 1 . 1 1 470 470 VAL CA C 470 63.555 63.555 60.865 2.690 19214 208 1 . 1 1 470 470 VAL CB C 470 31.054 31.054 33.468 -2.414 19214 209 1 . 1 1 470 470 VAL H H 470 8.354 8.354 7.463 0.891 19214 210 1 . 1 1 474 474 VAL HA H 474 4.288 4.288 3.638 0.650 19214 211 1 . 1 1 474 474 VAL C C 474 175.489 175.489 175.818 -0.329 19214 212 1 . 1 1 474 474 VAL CA C 474 61.669 61.669 64.322 -2.653 19214 213 1 . 1 1 474 474 VAL CB C 474 32.382 32.382 31.810 0.572 19214 214 1 . 1 1 475 475 ALA N N 475 118.920 118.920 118.241 0.679 19214 215 1 . 1 1 475 475 ALA HA H 475 4.552 4.552 4.643 -0.091 19214 216 1 . 1 1 475 475 ALA C C 475 174.363 174.363 174.668 -0.305 19214 217 1 . 1 1 475 475 ALA CA C 475 52.023 52.023 51.409 0.614 19214 218 1 . 1 1 475 475 ALA CB C 475 23.339 23.339 21.903 1.436 19214 219 1 . 1 1 475 475 ALA H H 475 7.321 7.321 7.284 0.037 19214 220 1 . 1 1 476 476 GLU N N 476 121.933 121.933 122.420 -0.487 19214 221 1 . 1 1 476 476 GLU HA H 476 5.128 5.128 4.691 0.437 19214 222 1 . 1 1 476 476 GLU C C 476 173.921 173.921 175.118 -1.197 19214 223 1 . 1 1 476 476 GLU CA C 476 55.372 55.372 55.400 -0.028 19214 224 1 . 1 1 476 476 GLU CB C 476 35.144 35.144 33.125 2.019 19214 225 1 . 1 1 476 476 GLU H H 476 8.969 8.969 8.694 0.275 19214 226 1 . 1 1 477 477 SER N N 477 121.397 121.397 122.739 -1.342 19214 227 1 . 1 1 477 477 SER HA H 477 4.855 4.855 4.941 -0.086 19214 228 1 . 1 1 477 477 SER C C 477 173.315 173.315 172.687 0.628 19214 229 1 . 1 1 477 477 SER CA C 477 56.600 56.600 57.269 -0.669 19214 230 1 . 1 1 477 477 SER CB C 477 64.022 64.022 64.602 -0.580 19214 231 1 . 1 1 477 477 SER H H 477 9.069 9.069 8.745 0.324 19214 232 1 . 1 1 478 478 VAL N N 478 128.194 128.194 122.200 5.995 19214 233 1 . 1 1 478 478 VAL HA H 478 5.287 5.287 4.509 0.778 19214 234 1 . 1 1 478 478 VAL C C 478 173.093 173.093 174.913 -1.820 19214 235 1 . 1 1 478 478 VAL CA C 478 58.849 58.849 59.806 -0.957 19214 236 1 . 1 1 478 478 VAL CB C 478 35.764 35.764 34.455 1.309 19214 237 1 . 1 1 478 478 VAL H H 478 9.081 9.081 8.356 0.725 19214 238 1 . 1 1 479 479 ALA N N 479 129.566 129.566 129.932 -0.366 19214 239 1 . 1 1 479 479 ALA HA H 479 4.358 4.358 4.355 0.003 19214 240 1 . 1 1 479 479 ALA C C 479 176.760 176.760 177.513 -0.753 19214 241 1 . 1 1 479 479 ALA CA C 479 52.215 52.215 52.297 -0.082 19214 242 1 . 1 1 479 479 ALA CB C 479 20.082 20.082 19.668 0.414 19214 243 1 . 1 1 479 479 ALA H H 479 8.688 8.688 8.357 0.331 19214 244 1 . 1 1 480 480 GLU N N 480 120.391 120.391 120.080 0.311 19214 245 1 . 1 1 480 480 GLU HA H 480 4.011 4.011 4.109 -0.098 19214 246 1 . 1 1 480 480 GLU C C 480 177.201 177.201 177.495 -0.294 19214 247 1 . 1 1 480 480 GLU CA C 480 58.178 58.178 58.284 -0.106 19214 248 1 . 1 1 480 480 GLU CB C 480 29.829 29.829 29.727 0.102 19214 249 1 . 1 1 480 480 GLU H H 480 8.531 8.531 8.571 -0.040 19214 250 1 . 1 1 481 481 GLY N N 481 110.913 110.913 110.467 0.446 19214 251 1 . 1 1 481 481 GLY C C 481 174.000 174.000 174.172 -0.172 19214 252 1 . 1 1 481 481 GLY CA C 481 44.644 44.644 44.313 0.331 19214 253 1 . 1 1 481 481 GLY H H 481 8.557 8.557 8.671 -0.114 19214 254 1 . 1 1 482 482 TRP N N 482 119.571 119.571 122.638 -3.067 19214 255 1 . 1 1 482 482 TRP HA H 482 5.200 5.200 5.022 0.178 19214 256 1 . 1 1 482 482 TRP CA C 482 53.641 53.641 54.297 -0.656 19214 257 1 . 1 1 482 482 TRP CB C 482 29.556 29.556 29.520 0.037 19214 258 1 . 1 1 482 482 TRP H H 482 7.066 7.066 7.221 -0.155 19214 259 1 . 1 1 484 484 GLN CB C 484 28.700 28.700 28.612 0.088 19214 260 1 . 1 1 485 485 ALA HA H 485 4.021 4.021 4.207 -0.186 19214 261 1 . 1 1 485 485 ALA C C 485 180.181 180.181 178.867 1.314 19214 262 1 . 1 1 485 485 ALA CA C 485 55.328 55.328 54.185 1.143 19214 263 1 . 1 1 485 485 ALA CB C 485 18.537 18.537 18.763 -0.226 19214 264 1 . 1 1 486 486 ARG N N 486 114.901 114.901 118.284 -3.383 19214 265 1 . 1 1 486 486 ARG HA H 486 4.104 4.104 4.048 0.056 19214 266 1 . 1 1 486 486 ARG C C 486 176.165 176.165 176.792 -0.628 19214 267 1 . 1 1 486 486 ARG CA C 486 58.068 58.068 58.697 -0.628 19214 268 1 . 1 1 486 486 ARG CB C 486 29.624 29.624 29.722 -0.098 19214 269 1 . 1 1 486 486 ARG H H 486 8.998 8.998 8.142 0.856 19214 270 1 . 1 1 487 487 ASP N N 487 117.227 117.227 117.139 0.088 19214 271 1 . 1 1 487 487 ASP HA H 487 4.724 4.724 4.604 0.120 19214 272 1 . 1 1 487 487 ASP C C 487 175.859 175.859 176.163 -0.304 19214 273 1 . 1 1 487 487 ASP CA C 487 54.873 54.873 55.422 -0.549 19214 274 1 . 1 1 487 487 ASP CB C 487 41.415 41.415 41.131 0.284 19214 275 1 . 1 1 487 487 ASP H H 487 7.424 7.424 7.835 -0.411 19214 276 1 . 1 1 488 488 GLN N N 488 117.558 117.558 118.981 -1.423 19214 277 1 . 1 1 488 488 GLN HA H 488 4.471 4.471 4.495 -0.024 19214 278 1 . 1 1 488 488 GLN C C 488 175.010 175.010 175.076 -0.066 19214 279 1 . 1 1 488 488 GLN CA C 488 54.037 54.037 54.915 -0.878 19214 280 1 . 1 1 488 488 GLN CB C 488 29.989 29.989 30.012 -0.023 19214 281 1 . 1 1 488 488 GLN H H 488 7.548 7.548 8.127 -0.579 19214 282 1 . 1 1 489 489 VAL N N 489 122.991 122.991 124.109 -1.118 19214 283 1 . 1 1 489 489 VAL HA H 489 4.102 4.102 4.182 -0.080 19214 284 1 . 1 1 489 489 VAL C C 489 175.471 175.471 175.819 -0.348 19214 285 1 . 1 1 489 489 VAL CA C 489 62.947 62.947 61.079 1.869 19214 286 1 . 1 1 489 489 VAL CB C 489 31.473 31.473 32.729 -1.256 19214 287 1 . 1 1 489 489 VAL H H 489 8.426 8.426 8.498 -0.072 19214 288 1 . 1 1 490 490 ILE N N 490 128.401 128.401 127.282 1.119 19214 289 1 . 1 1 490 490 ILE HA H 490 4.310 4.310 3.959 0.351 19214 290 1 . 1 1 490 490 ILE H H 490 8.474 8.474 8.477 -0.003 19214 291 1 . 1 1 491 491 GLU HA H 491 4.361 4.361 4.172 0.189 19214 292 1 . 1 1 491 491 GLU C C 491 174.175 174.175 176.505 -2.330 19214 293 1 . 1 1 491 491 GLU CA C 491 54.874 54.874 57.488 -2.614 19214 294 1 . 1 1 491 491 GLU CB C 491 31.063 31.063 29.939 1.124 19214 295 1 . 1 1 492 492 ASP N N 492 117.270 117.270 120.916 -3.646 19214 296 1 . 1 1 492 492 ASP HA H 492 4.730 4.730 4.643 0.087 19214 297 1 . 1 1 492 492 ASP CA C 492 52.914 52.914 52.197 0.717 19214 298 1 . 1 1 492 492 ASP CB C 492 44.223 44.223 41.235 2.988 19214 299 1 . 1 1 492 492 ASP H H 492 6.870 6.870 8.075 -1.206 19214 300 1 . 1 1 493 493 PRO C C 493 178.700 178.700 177.075 1.626 19214 301 1 . 1 1 493 493 PRO CA C 493 63.429 63.429 62.769 0.660 19214 302 1 . 1 1 493 493 PRO CB C 493 32.064 32.064 33.113 -1.049 19214 303 1 . 1 1 494 494 CYS N N 494 121.800 121.800 118.125 3.675 19214 304 1 . 1 1 494 494 CYS H H 494 8.010 8.010 8.494 -0.484 19214 305 1 . 1 1 495 495 PHE CB C 495 36.800 36.800 39.331 -2.531 19214 306 1 . 1 1 500 500 VAL C C 500 177.132 177.132 177.697 -0.565 19214 307 1 . 1 1 501 501 GLU N N 501 117.783 117.783 119.120 -1.337 19214 308 1 . 1 1 501 501 GLU C C 501 178.329 178.329 178.212 0.117 19214 309 1 . 1 1 501 501 GLU H H 501 8.169 8.169 7.986 0.183 19214 310 1 . 1 1 502 502 ALA N N 502 120.877 120.877 121.650 -0.772 19214 311 1 . 1 1 502 502 ALA HA H 502 3.976 3.976 3.892 0.084 19214 312 1 . 1 1 502 502 ALA C C 502 181.216 181.216 179.376 1.840 19214 313 1 . 1 1 502 502 ALA CA C 502 55.113 55.113 54.708 0.405 19214 314 1 . 1 1 502 502 ALA CB C 502 17.660 17.660 17.804 -0.144 19214 315 1 . 1 1 502 502 ALA H H 502 7.982 7.982 7.641 0.341 19214 316 1 . 1 1 503 503 TYR N N 503 116.217 116.217 116.906 -0.689 19214 317 1 . 1 1 503 503 TYR HA H 503 4.440 4.440 4.338 0.102 19214 318 1 . 1 1 503 503 TYR C C 503 178.488 178.488 178.644 -0.156 19214 319 1 . 1 1 503 503 TYR CA C 503 62.517 62.517 60.088 2.429 19214 320 1 . 1 1 503 503 TYR CB C 503 38.834 38.834 37.950 0.884 19214 321 1 . 1 1 503 503 TYR H H 503 7.310 7.310 7.250 0.060 19214 322 1 . 1 1 504 504 ARG N N 504 122.384 122.384 119.778 2.606 19214 323 1 . 1 1 504 504 ARG HA H 504 3.748 3.748 4.013 -0.265 19214 324 1 . 1 1 504 504 ARG C C 504 177.207 177.207 176.974 0.233 19214 325 1 . 1 1 504 504 ARG CA C 504 59.734 59.734 58.797 0.937 19214 326 1 . 1 1 504 504 ARG CB C 504 30.200 30.200 29.993 0.207 19214 327 1 . 1 1 504 504 ARG H H 504 8.424 8.424 7.620 0.803 19214 328 1 . 1 1 505 505 GLN N N 505 112.682 112.682 115.376 -2.694 19214 329 1 . 1 1 505 505 GLN HA H 505 4.220 4.220 4.377 -0.158 19214 330 1 . 1 1 505 505 GLN C C 505 176.342 176.342 176.449 -0.106 19214 331 1 . 1 1 505 505 GLN CA C 505 55.587 55.587 55.541 0.046 19214 332 1 . 1 1 505 505 GLN CB C 505 28.591 28.591 29.360 -0.769 19214 333 1 . 1 1 505 505 GLN H H 505 7.436 7.436 7.481 -0.045 19214 334 1 . 1 1 506 506 GLY N N 506 107.068 107.068 109.258 -2.190 19214 335 1 . 1 1 506 506 GLY C C 506 174.202 174.202 173.983 0.219 19214 336 1 . 1 1 506 506 GLY CA C 506 45.499 45.499 45.114 0.385 19214 337 1 . 1 1 506 506 GLY H H 506 7.910 7.910 8.088 -0.178 19214 338 1 . 1 1 507 507 ARG N N 507 123.044 123.044 120.095 2.949 19214 339 1 . 1 1 507 507 ARG HA H 507 3.857 3.857 4.239 -0.382 19214 340 1 . 1 1 507 507 ARG C C 507 172.375 172.375 175.600 -3.225 19214 341 1 . 1 1 507 507 ARG CA C 507 57.969 57.969 56.412 1.557 19214 342 1 . 1 1 507 507 ARG CB C 507 30.269 30.269 31.298 -1.029 19214 343 1 . 1 1 507 507 ARG H H 507 7.934 7.934 7.676 0.258 19214 344 1 . 1 1 508 508 ILE N N 508 120.600 120.600 121.522 -0.922 19214 345 1 . 1 1 508 508 ILE HA H 508 4.819 4.819 4.307 0.512 19214 346 1 . 1 1 508 508 ILE C C 508 177.238 177.238 174.807 2.431 19214 347 1 . 1 1 508 508 ILE CA C 508 59.801 59.801 60.385 -0.584 19214 348 1 . 1 1 508 508 ILE CB C 508 41.877 41.877 39.128 2.749 19214 349 1 . 1 1 508 508 ILE H H 508 7.572 7.572 8.198 -0.626 19214 350 1 . 1 1 509 509 GLN N N 509 127.676 127.676 128.200 -0.524 19214 351 1 . 1 1 509 509 GLN HA H 509 4.761 4.761 4.689 0.072 19214 352 1 . 1 1 509 509 GLN C C 509 172.804 172.804 173.649 -0.845 19214 353 1 . 1 1 509 509 GLN CA C 509 54.158 54.158 54.667 -0.509 19214 354 1 . 1 1 509 509 GLN CB C 509 31.078 31.078 31.238 -0.160 19214 355 1 . 1 1 509 509 GLN H H 509 8.894 8.894 8.402 0.492 19214 356 1 . 1 1 510 510 ALA N N 510 132.910 132.910 130.488 2.422 19214 357 1 . 1 1 510 510 ALA HA H 510 4.912 4.912 4.745 0.167 19214 358 1 . 1 1 510 510 ALA C C 510 175.581 175.581 176.533 -0.952 19214 359 1 . 1 1 510 510 ALA CA C 510 51.180 51.180 51.260 -0.080 19214 360 1 . 1 1 510 510 ALA CB C 510 19.939 19.939 20.862 -0.923 19214 361 1 . 1 1 510 510 ALA H H 510 9.110 9.110 8.729 0.381 19214 362 1 . 1 1 511 511 THR N N 511 123.543 123.543 122.947 0.596 19214 363 1 . 1 1 511 511 THR HA H 511 4.636 4.636 4.834 -0.198 19214 364 1 . 1 1 511 511 THR C C 511 174.690 174.690 175.318 -0.628 19214 365 1 . 1 1 511 511 THR CA C 511 61.883 61.883 61.712 0.171 19214 366 1 . 1 1 511 511 THR CB C 511 69.826 69.826 69.754 0.072 19214 367 1 . 1 1 511 511 THR H H 511 9.525 9.525 8.287 1.238 19214 368 1 . 1 1 512 512 THR N N 512 129.502 129.502 116.646 12.856 19214 369 1 . 1 1 512 512 THR HA H 512 4.524 4.524 3.960 0.564 19214 370 1 . 1 1 512 512 THR C C 512 172.791 172.791 173.639 -0.848 19214 371 1 . 1 1 512 512 THR CA C 512 63.974 63.974 64.857 -0.883 19214 372 1 . 1 1 512 512 THR CB C 512 69.199 69.199 69.102 0.097 19214 373 1 . 1 1 512 512 THR H H 512 9.024 9.024 8.839 0.185 19214 374 1 . 1 1 513 513 ASP N N 513 113.203 113.203 116.023 -2.820 19214 375 1 . 1 1 513 513 ASP HA H 513 4.891 4.891 4.815 0.076 19214 376 1 . 1 1 513 513 ASP C C 513 179.282 179.282 175.712 3.570 19214 377 1 . 1 1 513 513 ASP CA C 513 51.637 51.637 53.255 -1.619 19214 378 1 . 1 1 513 513 ASP CB C 513 42.591 42.591 42.119 0.472 19214 379 1 . 1 1 513 513 ASP H H 513 7.263 7.263 7.774 -0.511 19214 380 1 . 1 1 514 514 ILE N N 514 122.554 122.554 120.975 1.579 19214 381 1 . 1 1 514 514 ILE HA H 514 3.595 3.595 3.901 -0.306 19214 382 1 . 1 1 514 514 ILE C C 514 175.984 175.984 176.674 -0.690 19214 383 1 . 1 1 514 514 ILE CA C 514 64.552 64.552 63.138 1.414 19214 384 1 . 1 1 514 514 ILE CB C 514 37.796 37.796 37.706 0.090 19214 385 1 . 1 1 514 514 ILE H H 514 9.465 9.465 8.736 0.729 19214 386 1 . 1 1 515 515 PHE N N 515 117.573 117.573 117.648 -0.075 19214 387 1 . 1 1 515 515 PHE HA H 515 4.399 4.399 4.249 0.150 19214 388 1 . 1 1 515 515 PHE C C 515 176.347 176.347 176.260 0.087 19214 389 1 . 1 1 515 515 PHE CA C 515 59.346 59.346 60.001 -0.655 19214 390 1 . 1 1 515 515 PHE CB C 515 37.709 37.709 38.687 -0.978 19214 391 1 . 1 1 515 515 PHE H H 515 7.804 7.804 8.383 -0.579 19214 392 1 . 1 1 516 516 LYS N N 516 118.690 118.690 117.322 1.368 19214 393 1 . 1 1 516 516 LYS HA H 516 4.692 4.692 4.418 0.274 19214 394 1 . 1 1 516 516 LYS C C 516 175.821 175.821 175.597 0.224 19214 395 1 . 1 1 516 516 LYS CA C 516 54.851 54.851 55.529 -0.678 19214 396 1 . 1 1 516 516 LYS CB C 516 33.855 33.855 31.831 2.024 19214 397 1 . 1 1 516 516 LYS H H 516 7.559 7.559 7.658 -0.099 19214 398 1 . 1 1 517 517 ALA N N 517 121.471 121.471 121.289 0.182 19214 399 1 . 1 1 517 517 ALA HA H 517 4.530 4.530 4.528 0.002 19214 400 1 . 1 1 517 517 ALA CA C 517 52.124 52.124 51.567 0.557 19214 401 1 . 1 1 517 517 ALA CB C 517 20.974 20.974 20.645 0.329 19214 402 1 . 1 1 517 517 ALA H H 517 7.219 7.219 7.226 -0.007 19214 403 1 . 1 1 518 518 GLY C C 518 175.423 175.423 174.608 0.815 19214 404 1 . 1 1 518 518 GLY CA C 518 46.692 46.692 45.274 1.418 19214 405 1 . 1 1 519 519 LEU N N 519 119.857 119.857 118.248 1.609 19214 406 1 . 1 1 519 519 LEU HA H 519 4.348 4.348 4.128 0.220 19214 407 1 . 1 1 519 519 LEU C C 519 177.704 177.704 178.145 -0.441 19214 408 1 . 1 1 519 519 LEU CA C 519 54.535 54.535 55.935 -1.400 19214 409 1 . 1 1 519 519 LEU CB C 519 41.174 41.174 41.853 -0.679 19214 410 1 . 1 1 519 519 LEU H H 519 8.531 8.531 7.810 0.721 19214 411 1 . 1 1 520 520 THR N N 520 113.386 113.386 108.562 4.824 19214 412 1 . 1 1 520 520 THR HA H 520 4.260 4.260 3.873 0.387 19214 413 1 . 1 1 520 520 THR CA C 520 61.653 61.653 63.730 -2.077 19214 414 1 . 1 1 520 520 THR CB C 520 71.260 71.260 67.911 3.349 19214 415 1 . 1 1 520 520 THR H H 520 9.352 9.352 8.484 0.868 19214 416 1 . 1 1 522 522 CYS HA H 522 4.385 4.385 4.419 -0.034 19214 417 1 . 1 1 522 522 CYS C C 522 175.903 175.903 174.287 1.616 19214 418 1 . 1 1 522 522 CYS CA C 522 58.664 58.664 58.626 0.038 19214 419 1 . 1 1 522 522 CYS CB C 522 31.785 31.785 26.209 5.576 19214 420 1 . 1 1 523 523 HIS N N 523 125.416 125.416 120.376 5.040 19214 421 1 . 1 1 523 523 HIS HA H 523 4.430 4.430 4.393 0.037 19214 422 1 . 1 1 523 523 HIS C C 523 178.292 178.292 176.294 1.998 19214 423 1 . 1 1 523 523 HIS CA C 523 55.874 55.874 56.302 -0.428 19214 424 1 . 1 1 523 523 HIS CB C 523 33.792 33.792 30.648 3.144 19214 425 1 . 1 1 523 523 HIS H H 523 7.210 7.210 7.775 -0.565 19214 426 1 . 1 1 524 524 LEU N N 524 120.382 120.382 120.513 -0.131 19214 427 1 . 1 1 524 524 LEU HA H 524 3.447 3.447 3.587 -0.140 19214 428 1 . 1 1 524 524 LEU C C 524 179.772 179.772 178.184 1.588 19214 429 1 . 1 1 524 524 LEU CA C 524 58.643 58.643 58.646 -0.003 19214 430 1 . 1 1 524 524 LEU CB C 524 41.395 41.395 41.091 0.304 19214 431 1 . 1 1 524 524 LEU H H 524 8.407 8.407 8.602 -0.195 19214 432 1 . 1 1 525 525 ASN N N 525 115.617 115.617 116.937 -1.320 19214 433 1 . 1 1 525 525 ASN HA H 525 4.474 4.474 4.399 0.075 19214 434 1 . 1 1 525 525 ASN C C 525 176.493 176.493 176.735 -0.242 19214 435 1 . 1 1 525 525 ASN CA C 525 55.154 55.154 55.745 -0.591 19214 436 1 . 1 1 525 525 ASN CB C 525 38.056 38.056 37.929 0.127 19214 437 1 . 1 1 525 525 ASN H H 525 8.540 8.540 8.328 0.212 19214 438 1 . 1 1 526 526 GLN N N 526 116.828 116.828 115.713 1.115 19214 439 1 . 1 1 526 526 GLN HA H 526 4.004 4.004 4.366 -0.362 19214 440 1 . 1 1 526 526 GLN C C 526 175.549 175.549 176.939 -1.390 19214 441 1 . 1 1 526 526 GLN CA C 526 57.483 57.483 56.906 0.577 19214 442 1 . 1 1 526 526 GLN CB C 526 29.433 29.433 29.865 -0.432 19214 443 1 . 1 1 526 526 GLN H H 526 7.492 7.492 7.798 -0.306 19214 444 1 . 1 1 527 527 LEU N N 527 115.200 115.200 119.424 -4.224 19214 445 1 . 1 1 527 527 LEU HA H 527 4.064 4.064 4.455 -0.391 19214 446 1 . 1 1 527 527 LEU C C 527 178.808 178.808 177.666 1.142 19214 447 1 . 1 1 527 527 LEU CA C 527 55.460 55.460 56.153 -0.692 19214 448 1 . 1 1 527 527 LEU CB C 527 43.643 43.643 42.620 1.023 19214 449 1 . 1 1 527 527 LEU H H 527 6.803 6.803 8.164 -1.361 19214 450 1 . 1 1 528 528 ARG N N 528 121.174 121.174 120.712 0.462 19214 451 1 . 1 1 528 528 ARG HA H 528 4.230 4.230 4.402 -0.172 19214 452 1 . 1 1 528 528 ARG CA C 528 61.240 61.240 59.723 1.517 19214 453 1 . 1 1 528 528 ARG CB C 528 28.670 28.670 27.764 0.906 19214 454 1 . 1 1 528 528 ARG H H 528 8.763 8.763 8.635 0.128 19214 455 1 . 1 1 529 529 PRO HA H 529 4.397 4.397 4.265 0.132 19214 456 1 . 1 1 529 529 PRO C C 529 176.672 176.672 177.559 -0.887 19214 457 1 . 1 1 529 529 PRO CA C 529 65.693 65.693 65.344 0.349 19214 458 1 . 1 1 529 529 PRO CB C 529 30.983 30.983 31.095 -0.112 19214 459 1 . 1 1 530 530 LEU N N 530 112.952 112.952 114.554 -1.602 19214 460 1 . 1 1 530 530 LEU HA H 530 4.198 4.198 4.203 -0.005 19214 461 1 . 1 1 530 530 LEU C C 530 176.746 176.746 176.547 0.199 19214 462 1 . 1 1 530 530 LEU CA C 530 53.564 53.564 54.962 -1.398 19214 463 1 . 1 1 530 530 LEU CB C 530 42.143 42.143 41.657 0.486 19214 464 1 . 1 1 530 530 LEU H H 530 6.762 6.762 7.917 -1.155 19214 465 1 . 1 1 531 531 LYS N N 531 114.491 114.491 113.390 1.101 19214 466 1 . 1 1 531 531 LYS HA H 531 3.921 3.921 3.968 -0.046 19214 467 1 . 1 1 531 531 LYS C C 531 173.427 173.427 175.684 -2.257 19214 468 1 . 1 1 531 531 LYS CA C 531 56.732 56.732 56.846 -0.114 19214 469 1 . 1 1 531 531 LYS CB C 531 28.329 28.329 29.684 -1.355 19214 470 1 . 1 1 531 531 LYS H H 531 8.319 8.319 7.750 0.569 19214 471 1 . 1 1 532 532 VAL N N 532 114.641 114.641 114.214 0.427 19214 472 1 . 1 1 532 532 VAL HA H 532 2.631 2.631 3.931 -1.301 19214 473 1 . 1 1 532 532 VAL C C 532 174.660 174.660 175.451 -0.791 19214 474 1 . 1 1 532 532 VAL CA C 532 65.644 65.644 62.823 2.821 19214 475 1 . 1 1 532 532 VAL CB C 532 32.120 32.120 30.997 1.123 19214 476 1 . 1 1 532 532 VAL H H 532 6.295 6.295 7.239 -0.944 19214 477 1 . 1 1 533 533 ARG N N 533 120.970 120.970 125.504 -4.534 19214 478 1 . 1 1 533 533 ARG HA H 533 4.473 4.473 4.378 0.095 19214 479 1 . 1 1 533 533 ARG C C 533 173.734 173.734 175.618 -1.884 19214 480 1 . 1 1 533 533 ARG CA C 533 55.062 55.062 56.743 -1.681 19214 481 1 . 1 1 533 533 ARG CB C 533 30.163 30.163 31.165 -1.002 19214 482 1 . 1 1 533 533 ARG H H 533 8.446 8.446 7.963 0.483 19214 483 1 . 1 1 534 534 ALA N N 534 123.443 123.443 119.609 3.834 19214 484 1 . 1 1 534 534 ALA HA H 534 4.842 4.842 4.841 0.001 19214 485 1 . 1 1 534 534 ALA C C 534 176.821 176.821 175.421 1.400 19214 486 1 . 1 1 534 534 ALA CA C 534 51.093 51.093 50.590 0.503 19214 487 1 . 1 1 534 534 ALA CB C 534 24.474 24.474 22.196 2.278 19214 488 1 . 1 1 534 534 ALA H H 534 8.477 8.477 7.427 1.050 19214 489 1 . 1 1 535 535 ASN N N 535 121.981 121.981 121.121 0.860 19214 490 1 . 1 1 535 535 ASN HA H 535 5.709 5.709 5.115 0.593 19214 491 1 . 1 1 535 535 ASN C C 535 171.453 171.453 173.203 -1.750 19214 492 1 . 1 1 535 535 ASN CA C 535 52.188 52.188 52.946 -0.758 19214 493 1 . 1 1 535 535 ASN CB C 535 44.081 44.081 42.286 1.795 19214 494 1 . 1 1 535 535 ASN H H 535 8.910 8.910 8.625 0.285 19214 495 1 . 1 1 536 536 LEU N N 536 132.341 132.341 127.045 5.296 19214 496 1 . 1 1 536 536 LEU HA H 536 5.104 5.104 4.294 0.810 19214 497 1 . 1 1 536 536 LEU C C 536 173.245 173.245 173.849 -0.604 19214 498 1 . 1 1 536 536 LEU CA C 536 53.812 53.812 53.534 0.278 19214 499 1 . 1 1 536 536 LEU CB C 536 41.977 41.977 44.745 -2.768 19214 500 1 . 1 1 536 536 LEU H H 536 9.242 9.242 7.525 1.717 19214 501 1 . 1 1 537 537 VAL N N 537 126.829 126.829 125.653 1.176 19214 502 1 . 1 1 537 537 VAL HA H 537 4.580 4.580 4.903 -0.323 19214 503 1 . 1 1 537 537 VAL C C 537 174.764 174.764 174.465 0.299 19214 504 1 . 1 1 537 537 VAL CA C 537 61.450 61.450 60.346 1.104 19214 505 1 . 1 1 537 537 VAL CB C 537 35.260 35.260 35.912 -0.652 19214 506 1 . 1 1 537 537 VAL H H 537 9.258 9.258 8.286 0.972 19214 507 1 . 1 1 538 538 VAL N N 538 120.280 120.280 118.149 2.131 19214 508 1 . 1 1 538 538 VAL HA H 538 5.240 5.240 4.791 0.449 19214 509 1 . 1 1 538 538 VAL CA C 538 56.785 56.785 58.329 -1.544 19214 510 1 . 1 1 538 538 VAL CB C 538 33.470 33.470 34.083 -0.613 19214 511 1 . 1 1 538 538 VAL H H 538 8.809 8.809 8.023 0.786 19214 512 1 . 1 1 539 539 PRO HA H 539 4.756 4.756 4.590 0.166 19214 513 1 . 1 1 539 539 PRO C C 539 175.826 175.826 175.832 -0.006 19214 514 1 . 1 1 539 539 PRO CA C 539 62.754 62.754 62.730 0.024 19214 515 1 . 1 1 539 539 PRO CB C 539 34.400 34.400 32.575 1.824 19214 516 1 . 1 1 540 540 MET N N 540 118.724 118.724 123.487 -4.763 19214 517 1 . 1 1 540 540 MET HA H 540 4.397 4.397 4.867 -0.470 19214 518 1 . 1 1 540 540 MET C C 540 173.839 173.839 174.110 -0.271 19214 519 1 . 1 1 540 540 MET CA C 540 55.758 55.758 54.886 0.872 19214 520 1 . 1 1 540 540 MET CB C 540 34.217 34.217 34.871 -0.654 19214 521 1 . 1 1 540 540 MET H H 540 8.360 8.360 7.988 0.372 19214 522 1 . 1 1 541 541 VAL N N 541 125.320 125.320 121.113 4.207 19214 523 1 . 1 1 541 541 VAL HA H 541 5.100 5.100 5.192 -0.092 19214 524 1 . 1 1 541 541 VAL C C 541 174.569 174.569 174.139 0.430 19214 525 1 . 1 1 541 541 VAL CA C 541 60.526 60.526 59.816 0.710 19214 526 1 . 1 1 541 541 VAL CB C 541 34.461 34.461 34.804 -0.343 19214 527 1 . 1 1 541 541 VAL H H 541 8.383 8.383 8.254 0.129 19214 528 1 . 1 1 542 542 ILE N N 542 125.677 125.677 123.840 1.837 19214 529 1 . 1 1 542 542 ILE HA H 542 4.256 4.256 4.305 -0.049 19214 530 1 . 1 1 542 542 ILE C C 542 175.815 175.815 175.163 0.652 19214 531 1 . 1 1 542 542 ILE CA C 542 60.441 60.441 60.177 0.264 19214 532 1 . 1 1 542 542 ILE CB C 542 41.219 41.219 40.751 0.468 19214 533 1 . 1 1 542 542 ILE H H 542 8.470 8.470 9.062 -0.592 19214 534 1 . 1 1 543 543 ASP N N 543 130.204 130.204 126.972 3.232 19214 535 1 . 1 1 543 543 ASP HA H 543 4.150 4.150 4.338 -0.189 19214 536 1 . 1 1 543 543 ASP CA C 543 56.014 56.014 55.338 0.676 19214 537 1 . 1 1 543 543 ASP CB C 543 39.515 39.515 39.880 -0.365 19214 538 1 . 1 1 543 543 ASP H H 543 9.650 9.650 8.833 0.816 19214 539 1 . 1 1 544 544 ASP HA H 544 4.180 4.180 4.240 -0.060 19214 540 1 . 1 1 544 544 ASP C C 544 174.473 174.473 174.947 -0.474 19214 541 1 . 1 1 544 544 ASP CA C 544 55.500 55.500 55.429 0.071 19214 542 1 . 1 1 544 544 ASP CB C 544 40.941 40.941 40.006 0.935 19214 543 1 . 1 1 545 545 GLN N N 545 117.251 117.251 116.410 0.841 19214 544 1 . 1 1 545 545 GLN CA C 545 53.533 53.533 54.574 -1.041 19214 545 1 . 1 1 545 545 GLN H H 545 7.868 7.868 7.544 0.324 19214 546 1 . 1 1 546 546 LEU C C 546 174.500 174.500 175.770 -1.270 19214 547 1 . 1 1 547 547 PHE N N 547 130.200 130.200 127.212 2.989 19214 548 1 . 1 1 547 547 PHE HA H 547 4.650 4.650 4.649 0.001 19214 549 1 . 1 1 547 547 PHE C C 547 176.033 176.033 174.779 1.254 19214 550 1 . 1 1 547 547 PHE CA C 547 59.700 59.700 58.474 1.226 19214 551 1 . 1 1 547 547 PHE CB C 547 40.800 40.800 42.242 -1.442 19214 552 1 . 1 1 547 547 PHE H H 547 9.120 9.120 8.405 0.715 19214 553 1 . 1 1 548 548 GLY N N 548 102.705 102.705 104.552 -1.847 19214 554 1 . 1 1 548 548 GLY C C 548 169.494 169.494 171.525 -2.031 19214 555 1 . 1 1 548 548 GLY CA C 548 46.008 46.008 45.358 0.650 19214 556 1 . 1 1 548 548 GLY H H 548 7.939 7.939 7.516 0.423 19214 557 1 . 1 1 549 549 LEU N N 549 118.437 118.437 118.702 -0.265 19214 558 1 . 1 1 549 549 LEU HA H 549 4.870 4.870 4.808 0.062 19214 559 1 . 1 1 549 549 LEU C C 549 173.746 173.746 175.212 -1.466 19214 560 1 . 1 1 549 549 LEU CA C 549 53.108 53.108 54.719 -1.611 19214 561 1 . 1 1 549 549 LEU CB C 549 44.752 44.752 46.343 -1.591 19214 562 1 . 1 1 549 549 LEU H H 549 9.279 9.279 7.745 1.534 19214 563 1 . 1 1 550 550 LEU N N 550 127.359 127.359 123.404 3.955 19214 564 1 . 1 1 550 550 LEU HA H 550 4.881 4.881 4.651 0.230 19214 565 1 . 1 1 550 550 LEU C C 550 174.669 174.669 175.943 -1.274 19214 566 1 . 1 1 550 550 LEU CA C 550 54.216 54.216 54.671 -0.455 19214 567 1 . 1 1 550 550 LEU CB C 550 42.954 42.954 42.609 0.345 19214 568 1 . 1 1 550 550 LEU H H 550 9.068 9.068 8.027 1.041 19214 569 1 . 1 1 551 551 ILE N N 551 126.177 126.177 123.198 2.979 19214 570 1 . 1 1 551 551 ILE HA H 551 5.234 5.234 5.171 0.063 19214 571 1 . 1 1 551 551 ILE C C 551 173.709 173.709 174.358 -0.649 19214 572 1 . 1 1 551 551 ILE CA C 551 59.720 59.720 59.006 0.714 19214 573 1 . 1 1 551 551 ILE CB C 551 42.210 42.210 40.839 1.371 19214 574 1 . 1 1 551 551 ILE H H 551 8.584 8.584 7.968 0.616 19214 575 1 . 1 1 552 552 ALA N N 552 129.345 129.345 128.302 1.043 19214 576 1 . 1 1 552 552 ALA HA H 552 5.194 5.194 4.656 0.537 19214 577 1 . 1 1 552 552 ALA C C 552 175.549 175.549 175.358 0.191 19214 578 1 . 1 1 552 552 ALA CA C 552 49.380 49.380 50.449 -1.069 19214 579 1 . 1 1 552 552 ALA CB C 552 23.712 23.712 21.010 2.702 19214 580 1 . 1 1 552 552 ALA H H 552 9.709 9.709 8.012 1.697 19214 581 1 . 1 1 553 553 HIS N N 553 115.303 115.303 122.188 -6.885 19214 582 1 . 1 1 553 553 HIS HA H 553 6.162 6.162 5.196 0.966 19214 583 1 . 1 1 553 553 HIS C C 553 177.121 177.121 174.598 2.523 19214 584 1 . 1 1 553 553 HIS CA C 553 51.965 51.965 54.472 -2.507 19214 585 1 . 1 1 553 553 HIS CB C 553 36.593 36.593 31.886 4.707 19214 586 1 . 1 1 553 553 HIS H H 553 9.151 9.151 8.129 1.022 19214 587 1 . 1 1 554 554 GLN N N 554 124.107 124.107 124.540 -0.432 19214 588 1 . 1 1 554 554 GLN HA H 554 4.540 4.540 4.360 0.180 19214 589 1 . 1 1 554 554 GLN C C 554 174.320 174.320 175.212 -0.892 19214 590 1 . 1 1 554 554 GLN CA C 554 55.976 55.976 55.030 0.946 19214 591 1 . 1 1 554 554 GLN CB C 554 30.828 30.828 29.387 1.441 19214 592 1 . 1 1 554 554 GLN H H 554 8.647 8.647 8.929 -0.282 19214 593 1 . 1 1 555 555 ALA N N 555 136.582 136.582 130.035 6.547 19214 594 1 . 1 1 555 555 ALA HA H 555 4.617 4.617 4.471 0.146 19214 595 1 . 1 1 555 555 ALA C C 555 177.422 177.422 177.320 0.102 19214 596 1 . 1 1 555 555 ALA CA C 555 52.406 52.406 52.808 -0.402 19214 597 1 . 1 1 555 555 ALA CB C 555 19.553 19.553 18.061 1.492 19214 598 1 . 1 1 555 555 ALA H H 555 11.550 11.550 8.574 2.976 19214 599 1 . 1 1 556 556 SER N N 556 111.945 111.945 112.554 -0.609 19214 600 1 . 1 1 556 556 SER HA H 556 4.044 4.044 4.437 -0.393 19214 601 1 . 1 1 556 556 SER C C 556 174.912 174.912 173.578 1.334 19214 602 1 . 1 1 556 556 SER CA C 556 61.145 61.145 59.413 1.732 19214 603 1 . 1 1 556 556 SER CB C 556 62.905 62.905 63.930 -1.025 19214 604 1 . 1 1 556 556 SER H H 556 8.083 8.083 8.064 0.019 19214 605 1 . 1 1 557 557 GLU N N 557 117.238 117.238 117.001 0.237 19214 606 1 . 1 1 557 557 GLU CA C 557 53.900 53.900 54.452 -0.552 19214 607 1 . 1 1 557 557 GLU CB C 557 30.171 30.171 29.730 0.442 19214 608 1 . 1 1 557 557 GLU H H 557 7.318 7.318 7.599 -0.281 19214 609 1 . 1 1 558 558 PRO HA H 558 4.194 4.194 4.417 -0.223 19214 610 1 . 1 1 558 558 PRO C C 558 174.855 174.855 175.705 -0.850 19214 611 1 . 1 1 558 558 PRO CA C 558 62.915 62.915 63.034 -0.119 19214 612 1 . 1 1 558 558 PRO CB C 558 32.862 32.862 32.223 0.639 19214 613 1 . 1 1 559 559 ARG N N 559 121.957 121.957 122.116 -0.159 19214 614 1 . 1 1 559 559 ARG HA H 559 3.945 3.945 4.354 -0.409 19214 615 1 . 1 1 559 559 ARG C C 559 171.134 171.134 174.635 -3.501 19214 616 1 . 1 1 559 559 ARG CA C 559 55.538 55.538 54.001 1.537 19214 617 1 . 1 1 559 559 ARG CB C 559 33.169 33.169 31.546 1.623 19214 618 1 . 1 1 559 559 ARG H H 559 7.836 7.836 7.964 -0.128 19214 619 1 . 1 1 560 560 GLN N N 560 126.067 126.067 122.771 3.295 19214 620 1 . 1 1 560 560 GLN HA H 560 4.372 4.372 3.652 0.720 19214 621 1 . 1 1 560 560 GLN C C 560 175.848 175.848 175.174 0.674 19214 622 1 . 1 1 560 560 GLN CA C 560 53.622 53.622 54.682 -1.060 19214 623 1 . 1 1 560 560 GLN CB C 560 27.811 27.811 28.629 -0.818 19214 624 1 . 1 1 560 560 GLN H H 560 8.332 8.332 8.214 0.118 19214 625 1 . 1 1 561 561 TRP N N 561 133.373 133.373 126.955 6.418 19214 626 1 . 1 1 561 561 TRP HA H 561 4.522 4.522 4.464 0.058 19214 627 1 . 1 1 561 561 TRP C C 561 176.141 176.141 176.063 0.078 19214 628 1 . 1 1 561 561 TRP CA C 561 56.337 56.337 56.833 -0.496 19214 629 1 . 1 1 561 561 TRP CB C 561 28.840 28.840 29.603 -0.763 19214 630 1 . 1 1 561 561 TRP H H 561 7.982 7.982 7.211 0.771 19214 631 1 . 1 1 562 562 GLN N N 562 124.678 124.678 121.201 3.477 19214 632 1 . 1 1 562 562 GLN HA H 562 4.454 4.454 4.511 -0.057 19214 633 1 . 1 1 562 562 GLN C C 562 177.088 177.088 177.108 -0.020 19214 634 1 . 1 1 562 562 GLN CA C 562 54.676 54.676 54.717 -0.042 19214 635 1 . 1 1 562 562 GLN CB C 562 30.526 30.526 30.221 0.305 19214 636 1 . 1 1 562 562 GLN H H 562 9.763 9.763 8.456 1.307 19214 637 1 . 1 1 563 563 GLU N N 563 124.545 124.545 125.965 -1.421 19214 638 1 . 1 1 563 563 GLU HA H 563 3.907 3.907 4.008 -0.101 19214 639 1 . 1 1 563 563 GLU C C 563 178.742 178.742 178.167 0.575 19214 640 1 . 1 1 563 563 GLU CA C 563 61.275 61.275 60.399 0.877 19214 641 1 . 1 1 563 563 GLU CB C 563 29.149 29.149 29.475 -0.326 19214 642 1 . 1 1 563 563 GLU H H 563 9.210 9.210 9.065 0.145 19214 643 1 . 1 1 564 564 ILE N N 564 115.275 115.275 117.607 -2.332 19214 644 1 . 1 1 564 564 ILE HA H 564 4.208 4.208 3.984 0.224 19214 645 1 . 1 1 564 564 ILE C C 564 177.462 177.462 178.024 -0.562 19214 646 1 . 1 1 564 564 ILE CA C 564 63.380 63.380 63.816 -0.436 19214 647 1 . 1 1 564 564 ILE CB C 564 37.828 37.828 36.715 1.113 19214 648 1 . 1 1 564 564 ILE H H 564 8.496 8.496 8.134 0.362 19214 649 1 . 1 1 565 565 GLU N N 565 121.174 121.174 120.989 0.185 19214 650 1 . 1 1 565 565 GLU HA H 565 4.009 4.009 4.151 -0.142 19214 651 1 . 1 1 565 565 GLU C C 565 178.217 178.217 179.591 -1.374 19214 652 1 . 1 1 565 565 GLU CA C 565 58.713 58.713 59.717 -1.004 19214 653 1 . 1 1 565 565 GLU CB C 565 29.685 29.685 29.374 0.310 19214 654 1 . 1 1 565 565 GLU H H 565 6.668 6.668 8.025 -1.357 19214 655 1 . 1 1 566 566 ILE N N 566 119.747 119.747 120.716 -0.969 19214 656 1 . 1 1 566 566 ILE HA H 566 3.387 3.387 3.763 -0.377 19214 657 1 . 1 1 566 566 ILE C C 566 178.911 178.911 178.001 0.909 19214 658 1 . 1 1 566 566 ILE CA C 566 66.484 66.484 65.345 1.139 19214 659 1 . 1 1 566 566 ILE CB C 566 38.410 38.410 37.509 0.901 19214 660 1 . 1 1 566 566 ILE H H 566 8.165 8.165 8.780 -0.615 19214 661 1 . 1 1 567 567 ASP N N 567 120.827 120.827 120.410 0.417 19214 662 1 . 1 1 567 567 ASP HA H 567 4.373 4.373 4.383 -0.010 19214 663 1 . 1 1 567 567 ASP C C 567 179.462 179.462 179.086 0.376 19214 664 1 . 1 1 567 567 ASP CA C 567 57.949 57.949 57.546 0.403 19214 665 1 . 1 1 567 567 ASP CB C 567 40.516 40.516 40.357 0.159 19214 666 1 . 1 1 567 567 ASP H H 567 8.574 8.574 7.841 0.733 19214 667 1 . 1 1 568 568 GLN N N 568 118.625 118.625 119.329 -0.704 19214 668 1 . 1 1 568 568 GLN HA H 568 4.140 4.140 4.174 -0.034 19214 669 1 . 1 1 568 568 GLN C C 568 179.204 179.204 178.681 0.523 19214 670 1 . 1 1 568 568 GLN CA C 568 59.294 59.294 58.568 0.726 19214 671 1 . 1 1 568 568 GLN CB C 568 29.558 29.558 28.915 0.643 19214 672 1 . 1 1 568 568 GLN H H 568 8.321 8.321 8.183 0.138 19214 673 1 . 1 1 569 569 PHE N N 569 124.764 124.764 120.859 3.905 19214 674 1 . 1 1 569 569 PHE HA H 569 4.310 4.310 4.210 0.100 19214 675 1 . 1 1 569 569 PHE C C 569 177.387 177.387 177.265 0.122 19214 676 1 . 1 1 569 569 PHE CA C 569 61.106 61.106 60.526 0.580 19214 677 1 . 1 1 569 569 PHE CB C 569 40.452 40.452 39.180 1.272 19214 678 1 . 1 1 569 569 PHE H H 569 8.999 8.999 8.444 0.555 19214 679 1 . 1 1 570 570 SER N N 570 113.882 113.882 114.976 -1.094 19214 680 1 . 1 1 570 570 SER HA H 570 4.145 4.145 3.931 0.214 19214 681 1 . 1 1 570 570 SER C C 570 177.181 177.181 176.728 0.453 19214 682 1 . 1 1 570 570 SER CA C 570 61.933 61.933 61.965 -0.033 19214 683 1 . 1 1 570 570 SER CB C 570 63.049 63.049 62.802 0.247 19214 684 1 . 1 1 570 570 SER H H 570 8.979 8.979 8.602 0.377 19214 685 1 . 1 1 571 571 GLU N N 571 123.710 123.710 121.957 1.753 19214 686 1 . 1 1 571 571 GLU HA H 571 4.146 4.146 3.983 0.164 19214 687 1 . 1 1 571 571 GLU C C 571 179.006 179.006 178.955 0.051 19214 688 1 . 1 1 571 571 GLU CA C 571 59.437 59.437 59.111 0.326 19214 689 1 . 1 1 571 571 GLU CB C 571 29.269 29.269 29.424 -0.155 19214 690 1 . 1 1 571 571 GLU H H 571 8.282 8.282 7.911 0.371 19214 691 1 . 1 1 572 572 LEU N N 572 123.115 123.115 120.896 2.219 19214 692 1 . 1 1 572 572 LEU HA H 572 4.030 4.030 3.964 0.066 19214 693 1 . 1 1 572 572 LEU C C 572 178.204 178.204 178.216 -0.012 19214 694 1 . 1 1 572 572 LEU CA C 572 58.186 58.186 57.957 0.229 19214 695 1 . 1 1 572 572 LEU CB C 572 41.303 41.303 41.603 -0.300 19214 696 1 . 1 1 572 572 LEU H H 572 7.722 7.722 7.487 0.235 19214 697 1 . 1 1 573 573 ALA N N 573 120.384 120.384 120.236 0.148 19214 698 1 . 1 1 573 573 ALA HA H 573 3.703 3.703 3.881 -0.178 19214 699 1 . 1 1 573 573 ALA C C 573 180.276 180.276 179.637 0.639 19214 700 1 . 1 1 573 573 ALA CA C 573 55.577 55.577 54.813 0.764 19214 701 1 . 1 1 573 573 ALA CB C 573 19.090 19.090 18.035 1.055 19214 702 1 . 1 1 573 573 ALA H H 573 7.701 7.701 7.331 0.370 19214 703 1 . 1 1 574 574 SER N N 574 116.150 116.150 113.484 2.666 19214 704 1 . 1 1 574 574 SER HA H 574 4.373 4.373 4.120 0.253 19214 705 1 . 1 1 574 574 SER C C 574 177.259 177.259 176.496 0.763 19214 706 1 . 1 1 574 574 SER CA C 574 61.851 61.851 61.318 0.533 19214 707 1 . 1 1 574 574 SER CB C 574 62.460 62.460 62.667 -0.207 19214 708 1 . 1 1 574 574 SER H H 574 8.679 8.679 8.184 0.495 19214 709 1 . 1 1 575 575 THR N N 575 120.316 120.316 118.285 2.031 19214 710 1 . 1 1 575 575 THR HA H 575 3.985 3.985 3.957 0.028 19214 711 1 . 1 1 575 575 THR C C 575 177.023 177.023 176.832 0.191 19214 712 1 . 1 1 575 575 THR CA C 575 66.859 66.859 66.820 0.039 19214 713 1 . 1 1 575 575 THR CB C 575 68.370 68.370 68.392 -0.022 19214 714 1 . 1 1 575 575 THR H H 575 8.685 8.685 7.981 0.704 19214 715 1 . 1 1 576 576 GLY N N 576 107.996 107.996 109.173 -1.177 19214 716 1 . 1 1 576 576 GLY C C 576 174.096 174.096 175.612 -1.516 19214 717 1 . 1 1 576 576 GLY CA C 576 47.730 47.730 47.184 0.546 19214 718 1 . 1 1 576 576 GLY H H 576 8.565 8.565 7.760 0.805 19214 719 1 . 1 1 577 577 SER N N 577 118.026 118.026 117.817 0.209 19214 720 1 . 1 1 577 577 SER HA H 577 3.840 3.840 3.972 -0.132 19214 721 1 . 1 1 577 577 SER CA C 577 63.146 63.146 61.602 1.544 19214 722 1 . 1 1 577 577 SER H H 577 8.425 8.425 7.431 0.994 19214 723 1 . 1 1 578 578 LEU HA H 578 3.700 3.700 3.987 -0.287 19214 724 1 . 1 1 578 578 LEU C C 578 179.316 179.316 179.117 0.199 19214 725 1 . 1 1 578 578 LEU CA C 578 57.995 57.995 57.594 0.401 19214 726 1 . 1 1 578 578 LEU CB C 578 41.739 41.739 41.526 0.213 19214 727 1 . 1 1 579 579 VAL N N 579 122.330 122.330 118.499 3.831 19214 728 1 . 1 1 579 579 VAL CB C 579 31.123 31.123 31.624 -0.501 19214 729 1 . 1 1 579 579 VAL H H 579 8.773 8.773 7.183 1.591 19214 730 1 . 1 1 584 584 HIS HA H 584 4.332 4.332 4.236 0.096 19214 731 1 . 1 1 584 584 HIS C C 584 177.320 177.320 177.494 -0.174 19214 732 1 . 1 1 584 584 HIS CA C 584 59.034 59.034 60.050 -1.016 19214 733 1 . 1 1 584 584 HIS CB C 584 29.981 29.981 29.671 0.310 19214 734 1 . 1 1 585 585 PHE N N 585 118.557 118.557 118.441 0.116 19214 735 1 . 1 1 585 585 PHE HA H 585 4.316 4.316 4.205 0.111 19214 736 1 . 1 1 585 585 PHE C C 585 178.195 178.195 177.150 1.045 19214 737 1 . 1 1 585 585 PHE CA C 585 60.326 60.326 61.391 -1.065 19214 738 1 . 1 1 585 585 PHE CB C 585 38.773 38.773 39.066 -0.293 19214 739 1 . 1 1 585 585 PHE H H 585 8.065 8.065 7.769 0.296 19214 740 1 . 1 1 586 586 LEU N N 586 121.964 121.964 121.814 0.150 19214 741 1 . 1 1 586 586 LEU HA H 586 4.060 4.060 3.929 0.131 19214 742 1 . 1 1 586 586 LEU C C 586 178.863 178.863 178.814 0.049 19214 743 1 . 1 1 586 586 LEU CA C 586 57.423 57.423 58.204 -0.781 19214 744 1 . 1 1 586 586 LEU CB C 586 42.042 42.042 41.633 0.409 19214 745 1 . 1 1 586 586 LEU H H 586 8.153 8.153 8.591 -0.438 19214 746 1 . 1 1 587 587 GLU N N 587 119.163 119.163 117.390 1.773 19214 747 1 . 1 1 587 587 GLU HA H 587 4.016 4.016 3.846 0.170 19214 748 1 . 1 1 587 587 GLU C C 587 178.330 178.330 179.181 -0.851 19214 749 1 . 1 1 587 587 GLU CA C 587 58.475 58.475 59.473 -0.998 19214 750 1 . 1 1 587 587 GLU CB C 587 29.825 29.825 29.093 0.733 19214 751 1 . 1 1 587 587 GLU H H 587 8.234 8.234 8.592 -0.358 19214 752 1 . 1 1 588 588 GLN N N 588 118.390 118.390 118.296 0.094 19214 753 1 . 1 1 588 588 GLN HA H 588 4.136 4.136 4.027 0.109 19214 754 1 . 1 1 588 588 GLN C C 588 177.452 177.452 178.519 -1.067 19214 755 1 . 1 1 588 588 GLN CA C 588 57.188 57.188 58.351 -1.163 19214 756 1 . 1 1 588 588 GLN CB C 588 28.932 28.932 28.220 0.712 19214 757 1 . 1 1 588 588 GLN H H 588 8.003 8.003 7.423 0.580 19214 758 1 . 1 1 589 589 THR N N 589 115.070 115.070 115.319 -0.249 19214 759 1 . 1 1 589 589 THR HA H 589 4.136 4.136 3.877 0.259 19214 760 1 . 1 1 589 589 THR C C 589 175.620 175.620 176.735 -1.115 19214 761 1 . 1 1 589 589 THR CA C 589 63.840 63.840 65.897 -2.057 19214 762 1 . 1 1 589 589 THR CB C 589 69.380 69.380 68.379 1.001 19214 763 1 . 1 1 589 589 THR H H 589 7.957 7.957 8.171 -0.214 19214 764 1 . 1 1 590 590 ILE N N 590 122.655 122.655 121.508 1.147 19214 765 1 . 1 1 590 590 ILE HA H 590 3.926 3.926 3.738 0.188 19214 766 1 . 1 1 590 590 ILE C C 590 176.914 176.914 177.716 -0.802 19214 767 1 . 1 1 590 590 ILE CA C 590 62.663 62.663 64.453 -1.790 19214 768 1 . 1 1 590 590 ILE CB C 590 38.222 38.222 37.420 0.802 19214 769 1 . 1 1 590 590 ILE H H 590 7.985 7.985 7.918 0.067 19214 770 1 . 1 1 591 591 ALA N N 591 125.105 125.105 122.121 2.984 19214 771 1 . 1 1 591 591 ALA HA H 591 4.181 4.181 4.084 0.097 19214 772 1 . 1 1 591 591 ALA C C 591 178.466 178.466 178.879 -0.413 19214 773 1 . 1 1 591 591 ALA CA C 591 53.502 53.502 54.613 -1.111 19214 774 1 . 1 1 591 591 ALA CB C 591 18.788 18.788 18.421 0.366 19214 775 1 . 1 1 591 591 ALA H H 591 8.086 8.086 7.699 0.387 19214 776 1 . 1 1 592 592 SER N N 592 113.591 113.591 113.169 0.422 19214 777 1 . 1 1 592 592 SER HA H 592 4.298 4.298 4.304 -0.007 19214 778 1 . 1 1 592 592 SER C C 592 174.886 174.886 174.700 0.186 19214 779 1 . 1 1 592 592 SER CA C 592 58.939 58.939 59.664 -0.725 19214 780 1 . 1 1 592 592 SER CB C 592 63.738 63.738 63.588 0.150 19214 781 1 . 1 1 592 592 SER H H 592 7.957 7.957 7.726 0.231 19214 stop_ save_