data_25010 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25010 _Entry.PDB_ID 2MQ3 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 25010 _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 1 451 451 HIS HA H 451 4.666 4.666 4.777 -0.111 25010 2 1 1 . 1 1 451 451 HIS CA C 451 56.039 56.039 54.763 1.276 25010 3 1 1 . 1 1 451 451 HIS CB C 451 30.388 30.388 27.771 2.617 25010 4 1 1 . 1 1 452 452 MET N N 452 123.092 123.092 122.949 0.143 25010 5 1 1 . 1 1 452 452 MET CB C 452 32.012 32.012 31.814 0.198 25010 6 1 1 . 1 1 452 452 MET H H 452 8.328 8.328 7.662 0.666 25010 7 1 1 . 1 1 453 453 PRO HA H 453 4.316 4.316 4.495 -0.179 25010 8 1 1 . 1 1 453 453 PRO CA C 453 62.807 62.807 62.116 0.691 25010 9 1 1 . 1 1 453 453 PRO CB C 453 32.230 32.230 32.363 -0.133 25010 10 1 1 . 1 1 454 454 VAL N N 454 122.113 122.113 122.796 -0.683 25010 11 1 1 . 1 1 454 454 VAL HA H 454 3.762 3.762 3.917 -0.155 25010 12 1 1 . 1 1 454 454 VAL CA C 454 63.093 63.093 62.583 0.510 25010 13 1 1 . 1 1 454 454 VAL CB C 454 32.192 32.192 31.423 0.769 25010 14 1 1 . 1 1 454 454 VAL H H 454 7.806 7.806 8.357 -0.551 25010 15 1 1 . 1 1 455 455 LEU N N 455 129.322 129.322 128.668 0.654 25010 16 1 1 . 1 1 455 455 LEU HA H 455 4.459 4.459 4.402 0.057 25010 17 1 1 . 1 1 455 455 LEU CA C 455 53.133 53.133 54.267 -1.134 25010 18 1 1 . 1 1 455 455 LEU CB C 455 43.699 43.699 42.541 1.158 25010 19 1 1 . 1 1 455 455 LEU H H 455 8.586 8.586 8.388 0.198 25010 20 1 1 . 1 1 456 456 ILE N N 456 120.924 120.924 123.351 -2.427 25010 21 1 1 . 1 1 456 456 ILE HA H 456 4.259 4.259 4.332 -0.073 25010 22 1 1 . 1 1 456 456 ILE CA C 456 60.937 60.937 59.881 1.056 25010 23 1 1 . 1 1 456 456 ILE CB C 456 36.860 36.860 36.126 0.734 25010 24 1 1 . 1 1 456 456 ILE H H 456 8.519 8.519 8.435 0.084 25010 25 1 1 . 1 1 457 457 THR N N 457 120.896 120.896 124.342 -3.446 25010 26 1 1 . 1 1 457 457 THR HA H 457 4.297 4.297 4.095 0.202 25010 27 1 1 . 1 1 457 457 THR CA C 457 62.783 62.783 64.527 -1.744 25010 28 1 1 . 1 1 457 457 THR CB C 457 67.927 67.927 69.355 -1.428 25010 29 1 1 . 1 1 457 457 THR H H 457 8.671 8.671 8.577 0.094 25010 30 1 1 . 1 1 458 458 ARG N N 458 122.706 122.706 120.958 1.748 25010 31 1 1 . 1 1 458 458 ARG HA H 458 4.931 4.931 4.954 -0.023 25010 32 1 1 . 1 1 458 458 ARG CA C 458 53.816 53.816 52.265 1.551 25010 33 1 1 . 1 1 458 458 ARG CB C 458 32.443 32.443 30.697 1.746 25010 34 1 1 . 1 1 458 458 ARG H H 458 7.576 7.576 7.670 -0.094 25010 35 1 1 . 1 1 459 459 PRO HA H 459 4.315 4.315 4.468 -0.153 25010 36 1 1 . 1 1 459 459 PRO CA C 459 62.763 62.763 62.513 0.250 25010 37 1 1 . 1 1 459 459 PRO CB C 459 32.644 32.644 32.525 0.119 25010 38 1 1 . 1 1 460 460 LEU N N 460 115.406 115.406 121.442 -6.036 25010 39 1 1 . 1 1 460 460 LEU HA H 460 4.575 4.575 4.453 0.122 25010 40 1 1 . 1 1 460 460 LEU CA C 460 55.114 55.114 54.360 0.754 25010 41 1 1 . 1 1 460 460 LEU CB C 460 45.383 45.383 42.412 2.971 25010 42 1 1 . 1 1 460 460 LEU H H 460 6.134 6.134 8.296 -2.162 25010 43 1 1 . 1 1 461 461 GLU N N 461 120.629 120.629 120.567 0.062 25010 44 1 1 . 1 1 461 461 GLU HA H 461 4.826 4.826 4.229 0.597 25010 45 1 1 . 1 1 461 461 GLU CA C 461 54.846 54.846 57.141 -2.295 25010 46 1 1 . 1 1 461 461 GLU CB C 461 32.513 32.513 29.997 2.516 25010 47 1 1 . 1 1 461 461 GLU H H 461 8.409 8.409 8.440 -0.031 25010 48 1 1 . 1 1 462 462 ASP N N 462 122.487 122.487 121.260 1.227 25010 49 1 1 . 1 1 462 462 ASP HA H 462 5.043 5.043 4.479 0.564 25010 50 1 1 . 1 1 462 462 ASP CA C 462 55.551 55.551 54.399 1.152 25010 51 1 1 . 1 1 462 462 ASP CB C 462 41.180 41.180 41.291 -0.111 25010 52 1 1 . 1 1 462 462 ASP H H 462 8.603 8.603 8.474 0.129 25010 53 1 1 . 1 1 463 463 GLN N N 463 117.119 117.119 119.660 -2.541 25010 54 1 1 . 1 1 463 463 GLN HA H 463 4.687 4.687 4.311 0.376 25010 55 1 1 . 1 1 463 463 GLN CA C 463 54.383 54.383 55.196 -0.813 25010 56 1 1 . 1 1 463 463 GLN CB C 463 33.212 33.212 29.655 3.557 25010 57 1 1 . 1 1 463 463 GLN H H 463 8.785 8.785 7.688 1.097 25010 58 1 1 . 1 1 464 464 LEU N N 464 127.523 127.523 124.100 3.423 25010 59 1 1 . 1 1 464 464 LEU HA H 464 5.337 5.337 4.736 0.601 25010 60 1 1 . 1 1 464 464 LEU CA C 464 54.511 54.511 54.620 -0.109 25010 61 1 1 . 1 1 464 464 LEU CB C 464 44.048 44.048 43.300 0.748 25010 62 1 1 . 1 1 464 464 LEU H H 464 8.420 8.420 8.361 0.059 25010 63 1 1 . 1 1 465 465 VAL N N 465 119.244 119.244 120.912 -1.668 25010 64 1 1 . 1 1 465 465 VAL HA H 465 4.796 4.796 4.643 0.153 25010 65 1 1 . 1 1 465 465 VAL CA C 465 58.546 58.546 59.836 -1.290 25010 66 1 1 . 1 1 465 465 VAL CB C 465 36.136 36.136 35.546 0.590 25010 67 1 1 . 1 1 465 465 VAL H H 465 8.730 8.730 8.577 0.153 25010 68 1 1 . 1 1 466 466 MET N N 466 119.234 119.234 116.854 2.380 25010 69 1 1 . 1 1 466 466 MET HA H 466 5.269 5.269 5.429 -0.160 25010 70 1 1 . 1 1 466 466 MET CA C 466 52.842 52.842 53.895 -1.053 25010 71 1 1 . 1 1 466 466 MET CB C 466 33.563 33.563 35.486 -1.923 25010 72 1 1 . 1 1 466 466 MET H H 466 8.099 8.099 8.154 -0.055 25010 73 1 1 . 1 1 467 467 VAL N N 467 119.519 119.519 121.503 -1.984 25010 74 1 1 . 1 1 467 467 VAL HA H 467 3.457 3.457 3.759 -0.302 25010 75 1 1 . 1 1 467 467 VAL CA C 467 64.434 64.434 64.206 0.228 25010 76 1 1 . 1 1 467 467 VAL CB C 467 32.220 32.220 31.767 0.453 25010 77 1 1 . 1 1 467 467 VAL H H 467 7.917 7.917 8.563 -0.646 25010 78 1 1 . 1 1 468 468 GLY N N 468 115.365 115.365 112.979 2.386 25010 79 1 1 . 1 1 468 468 GLY CA C 468 44.814 44.814 44.682 0.132 25010 80 1 1 . 1 1 468 468 GLY H H 468 9.845 9.845 8.811 1.034 25010 81 1 1 . 1 1 469 469 GLN N N 469 120.329 120.329 119.823 0.506 25010 82 1 1 . 1 1 469 469 GLN HA H 469 4.433 4.433 4.448 -0.015 25010 83 1 1 . 1 1 469 469 GLN CA C 469 55.841 55.841 54.549 1.292 25010 84 1 1 . 1 1 469 469 GLN CB C 469 30.198 30.198 30.566 -0.368 25010 85 1 1 . 1 1 469 469 GLN H H 469 7.984 7.984 7.421 0.563 25010 86 1 1 . 1 1 470 470 ARG N N 470 122.940 122.940 123.549 -0.609 25010 87 1 1 . 1 1 470 470 ARG HA H 470 4.603 4.603 4.528 0.075 25010 88 1 1 . 1 1 470 470 ARG CA C 470 55.873 55.873 55.965 -0.092 25010 89 1 1 . 1 1 470 470 ARG CB C 470 31.614 31.614 30.582 1.032 25010 90 1 1 . 1 1 470 470 ARG H H 470 8.138 8.138 8.576 -0.438 25010 91 1 1 . 1 1 471 471 VAL N N 471 127.100 127.100 128.575 -1.475 25010 92 1 1 . 1 1 471 471 VAL HA H 471 4.135 4.135 4.136 -0.001 25010 93 1 1 . 1 1 471 471 VAL CA C 471 60.424 60.424 61.012 -0.588 25010 94 1 1 . 1 1 471 471 VAL CB C 471 34.725 34.725 33.803 0.921 25010 95 1 1 . 1 1 471 471 VAL H H 471 8.869 8.869 8.431 0.438 25010 96 1 1 . 1 1 472 472 GLU N N 472 126.220 126.220 126.070 0.150 25010 97 1 1 . 1 1 472 472 GLU HA H 472 5.096 5.096 4.323 0.773 25010 98 1 1 . 1 1 472 472 GLU CA C 472 54.644 54.644 55.175 -0.531 25010 99 1 1 . 1 1 472 472 GLU CB C 472 32.890 32.890 31.084 1.806 25010 100 1 1 . 1 1 472 472 GLU H H 472 8.601 8.601 8.482 0.119 25010 101 1 1 . 1 1 473 473 PHE N N 473 125.641 125.641 125.181 0.460 25010 102 1 1 . 1 1 473 473 PHE HA H 473 4.747 4.747 4.911 -0.164 25010 103 1 1 . 1 1 473 473 PHE CA C 473 57.513 57.513 57.333 0.180 25010 104 1 1 . 1 1 473 473 PHE CB C 473 41.975 41.975 40.906 1.069 25010 105 1 1 . 1 1 473 473 PHE H H 473 9.275 9.275 9.026 0.249 25010 106 1 1 . 1 1 474 474 GLU N N 474 120.663 120.663 124.008 -3.345 25010 107 1 1 . 1 1 474 474 GLU HA H 474 5.369 5.369 4.826 0.543 25010 108 1 1 . 1 1 474 474 GLU CA C 474 54.976 54.976 55.434 -0.458 25010 109 1 1 . 1 1 474 474 GLU CB C 474 32.849 32.849 32.548 0.301 25010 110 1 1 . 1 1 474 474 GLU H H 474 8.452 8.452 9.116 -0.664 25010 111 1 1 . 1 1 475 475 CYS N N 475 121.477 121.477 124.304 -2.827 25010 112 1 1 . 1 1 475 475 CYS HA H 475 4.818 4.818 4.844 -0.026 25010 113 1 1 . 1 1 475 475 CYS CA C 475 56.706 56.706 57.886 -1.180 25010 114 1 1 . 1 1 475 475 CYS CB C 475 30.937 30.937 29.547 1.390 25010 115 1 1 . 1 1 475 475 CYS H H 475 9.015 9.015 8.443 0.572 25010 116 1 1 . 1 1 476 476 GLU N N 476 123.383 123.383 125.896 -2.513 25010 117 1 1 . 1 1 476 476 GLU HA H 476 5.522 5.522 4.692 0.830 25010 118 1 1 . 1 1 476 476 GLU CA C 476 55.076 55.076 53.767 1.309 25010 119 1 1 . 1 1 476 476 GLU CB C 476 33.796 33.796 32.107 1.689 25010 120 1 1 . 1 1 476 476 GLU H H 476 8.574 8.574 8.028 0.546 25010 121 1 1 . 1 1 477 477 VAL N N 477 116.481 116.481 114.255 2.226 25010 122 1 1 . 1 1 477 477 VAL HA H 477 5.430 5.430 4.754 0.676 25010 123 1 1 . 1 1 477 477 VAL CA C 477 58.827 58.827 59.635 -0.808 25010 124 1 1 . 1 1 477 477 VAL CB C 477 34.087 34.087 33.522 0.565 25010 125 1 1 . 1 1 477 477 VAL H H 477 8.739 8.739 7.969 0.770 25010 126 1 1 . 1 1 478 478 SER N N 478 111.234 111.234 116.159 -4.925 25010 127 1 1 . 1 1 478 478 SER HA H 478 4.072 4.072 4.435 -0.363 25010 128 1 1 . 1 1 478 478 SER CA C 478 60.984 60.984 59.779 1.204 25010 129 1 1 . 1 1 478 478 SER CB C 478 63.568 63.568 63.565 0.003 25010 130 1 1 . 1 1 478 478 SER H H 478 8.779 8.779 8.785 -0.006 25010 131 1 1 . 1 1 479 479 GLU N N 479 116.983 116.983 120.084 -3.101 25010 132 1 1 . 1 1 479 479 GLU HA H 479 4.872 4.872 4.535 0.337 25010 133 1 1 . 1 1 479 479 GLU CA C 479 54.615 54.615 55.014 -0.399 25010 134 1 1 . 1 1 479 479 GLU CB C 479 33.654 33.654 31.996 1.658 25010 135 1 1 . 1 1 479 479 GLU H H 479 6.800 6.800 8.030 -1.230 25010 136 1 1 . 1 1 480 480 GLU N N 480 124.422 124.422 124.392 0.030 25010 137 1 1 . 1 1 480 480 GLU HA H 480 4.405 4.405 4.126 0.279 25010 138 1 1 . 1 1 480 480 GLU CA C 480 57.861 57.861 56.487 1.374 25010 139 1 1 . 1 1 480 480 GLU CB C 480 29.787 29.787 29.775 0.012 25010 140 1 1 . 1 1 480 480 GLU H H 480 9.243 9.243 8.835 0.408 25010 141 1 1 . 1 1 481 481 GLY CA C 481 45.916 45.916 44.945 0.971 25010 142 1 1 . 1 1 482 482 ALA N N 482 121.277 121.277 124.604 -3.327 25010 143 1 1 . 1 1 482 482 ALA HA H 482 4.513 4.513 4.513 0.000 25010 144 1 1 . 1 1 482 482 ALA CA C 482 52.243 52.243 52.021 0.222 25010 145 1 1 . 1 1 482 482 ALA CB C 482 20.653 20.653 19.678 0.975 25010 146 1 1 . 1 1 482 482 ALA H H 482 7.449 7.449 7.628 -0.179 25010 147 1 1 . 1 1 483 483 GLN N N 483 121.318 121.318 121.176 0.142 25010 148 1 1 . 1 1 483 483 GLN HA H 483 4.481 4.481 4.850 -0.369 25010 149 1 1 . 1 1 483 483 GLN CA C 483 55.471 55.471 54.599 0.873 25010 150 1 1 . 1 1 483 483 GLN CB C 483 28.077 28.077 31.578 -3.501 25010 151 1 1 . 1 1 483 483 GLN H H 483 8.541 8.541 8.624 -0.083 25010 152 1 1 . 1 1 484 484 VAL N N 484 118.395 118.395 112.911 5.484 25010 153 1 1 . 1 1 484 484 VAL HA H 484 4.919 4.919 4.604 0.315 25010 154 1 1 . 1 1 484 484 VAL CA C 484 58.491 58.491 59.104 -0.613 25010 155 1 1 . 1 1 484 484 VAL CB C 484 34.518 34.518 34.616 -0.098 25010 156 1 1 . 1 1 484 484 VAL H H 484 8.283 8.283 7.802 0.481 25010 157 1 1 . 1 1 485 485 LYS N N 485 119.957 119.957 121.256 -1.299 25010 158 1 1 . 1 1 485 485 LYS HA H 485 4.594 4.594 4.558 0.036 25010 159 1 1 . 1 1 485 485 LYS CA C 485 55.038 55.038 54.821 0.217 25010 160 1 1 . 1 1 485 485 LYS CB C 485 36.678 36.678 35.818 0.861 25010 161 1 1 . 1 1 485 485 LYS H H 485 8.039 8.039 8.049 -0.010 25010 162 1 1 . 1 1 486 486 TRP N N 486 123.677 123.677 124.332 -0.655 25010 163 1 1 . 1 1 486 486 TRP HA H 486 5.608 5.608 4.752 0.856 25010 164 1 1 . 1 1 486 486 TRP CA C 486 55.766 55.766 56.175 -0.409 25010 165 1 1 . 1 1 486 486 TRP CB C 486 32.033 32.033 30.733 1.300 25010 166 1 1 . 1 1 486 486 TRP H H 486 8.767 8.767 8.622 0.145 25010 167 1 1 . 1 1 487 487 LEU N N 487 121.292 121.292 125.753 -4.461 25010 168 1 1 . 1 1 487 487 LEU HA H 487 5.199 5.199 5.091 0.108 25010 169 1 1 . 1 1 487 487 LEU CA C 487 53.645 53.645 53.861 -0.216 25010 170 1 1 . 1 1 487 487 LEU CB C 487 46.241 46.241 45.365 0.876 25010 171 1 1 . 1 1 487 487 LEU H H 487 9.599 9.599 9.331 0.268 25010 172 1 1 . 1 1 488 488 LYS N N 488 119.097 119.097 128.247 -9.150 25010 173 1 1 . 1 1 488 488 LYS HA H 488 4.448 4.448 4.843 -0.395 25010 174 1 1 . 1 1 488 488 LYS CA C 488 55.221 55.221 54.329 0.892 25010 175 1 1 . 1 1 488 488 LYS CB C 488 35.636 35.636 33.843 1.793 25010 176 1 1 . 1 1 488 488 LYS H H 488 8.702 8.702 9.087 -0.385 25010 177 1 1 . 1 1 489 489 ASP N N 489 130.255 130.255 128.727 1.528 25010 178 1 1 . 1 1 489 489 ASP HA H 489 4.377 4.377 4.164 0.213 25010 179 1 1 . 1 1 489 489 ASP CA C 489 55.843 55.843 55.268 0.575 25010 180 1 1 . 1 1 489 489 ASP CB C 489 40.211 40.211 39.776 0.435 25010 181 1 1 . 1 1 489 489 ASP H H 489 9.895 9.895 9.092 0.803 25010 182 1 1 . 1 1 490 490 GLY N N 490 101.682 101.682 103.610 -1.928 25010 183 1 1 . 1 1 490 490 GLY CA C 490 45.394 45.394 45.113 0.281 25010 184 1 1 . 1 1 490 490 GLY H H 490 8.673 8.673 8.536 0.137 25010 185 1 1 . 1 1 491 491 VAL N N 491 123.371 123.371 122.789 0.582 25010 186 1 1 . 1 1 491 491 VAL HA H 491 4.197 4.197 4.172 0.025 25010 187 1 1 . 1 1 491 491 VAL CA C 491 61.597 61.597 60.593 1.004 25010 188 1 1 . 1 1 491 491 VAL CB C 491 33.598 33.598 32.815 0.783 25010 189 1 1 . 1 1 491 491 VAL H H 491 7.954 7.954 7.805 0.149 25010 190 1 1 . 1 1 492 492 GLU N N 492 127.934 127.934 127.868 0.066 25010 191 1 1 . 1 1 492 492 GLU HA H 492 4.410 4.410 4.394 0.016 25010 192 1 1 . 1 1 492 492 GLU CA C 492 57.649 57.649 55.994 1.655 25010 193 1 1 . 1 1 492 492 GLU CB C 492 29.242 29.242 29.929 -0.687 25010 194 1 1 . 1 1 492 492 GLU H H 492 8.781 8.781 8.630 0.151 25010 195 1 1 . 1 1 493 493 LEU N N 493 127.787 127.787 128.322 -0.535 25010 196 1 1 . 1 1 493 493 LEU HA H 493 4.591 4.591 4.456 0.135 25010 197 1 1 . 1 1 493 493 LEU CA C 493 54.628 54.628 55.075 -0.447 25010 198 1 1 . 1 1 493 493 LEU CB C 493 41.823 41.823 42.573 -0.750 25010 199 1 1 . 1 1 493 493 LEU H H 493 8.934 8.934 7.861 1.073 25010 200 1 1 . 1 1 494 494 THR N N 494 114.564 114.564 114.561 0.003 25010 201 1 1 . 1 1 494 494 THR HA H 494 4.238 4.238 4.477 -0.239 25010 202 1 1 . 1 1 494 494 THR CA C 494 61.209 61.209 61.108 0.101 25010 203 1 1 . 1 1 494 494 THR CB C 494 70.420 70.420 70.122 0.298 25010 204 1 1 . 1 1 494 494 THR H H 494 8.338 8.338 8.592 -0.254 25010 205 1 1 . 1 1 495 495 ARG N N 495 121.286 121.286 126.194 -4.908 25010 206 1 1 . 1 1 495 495 ARG HA H 495 4.421 4.421 4.555 -0.134 25010 207 1 1 . 1 1 495 495 ARG CA C 495 56.805 56.805 56.566 0.240 25010 208 1 1 . 1 1 495 495 ARG CB C 495 30.014 30.014 29.330 0.684 25010 209 1 1 . 1 1 495 495 ARG H H 495 8.580 8.580 8.778 -0.198 25010 210 1 1 . 1 1 496 496 GLU N N 496 120.070 120.070 123.679 -3.609 25010 211 1 1 . 1 1 496 496 GLU HA H 496 4.341 4.341 4.383 -0.042 25010 212 1 1 . 1 1 496 496 GLU CA C 496 57.093 57.093 55.774 1.319 25010 213 1 1 . 1 1 496 496 GLU CB C 496 29.927 29.927 31.447 -1.520 25010 214 1 1 . 1 1 496 496 GLU H H 496 8.304 8.304 8.395 -0.091 25010 215 1 1 . 1 1 497 497 GLU N N 497 120.611 120.611 121.264 -0.653 25010 216 1 1 . 1 1 497 497 GLU HA H 497 4.390 4.390 4.334 0.056 25010 217 1 1 . 1 1 497 497 GLU CA C 497 56.781 56.781 55.009 1.772 25010 218 1 1 . 1 1 497 497 GLU CB C 497 29.722 29.722 31.485 -1.763 25010 219 1 1 . 1 1 497 497 GLU H H 497 8.181 8.181 8.394 -0.213 25010 220 1 1 . 1 1 498 498 THR N N 498 113.761 113.761 112.933 0.828 25010 221 1 1 . 1 1 498 498 THR HA H 498 4.519 4.519 4.220 0.299 25010 222 1 1 . 1 1 498 498 THR CA C 498 61.768 61.768 60.487 1.281 25010 223 1 1 . 1 1 498 498 THR CB C 498 69.893 69.893 69.618 0.275 25010 224 1 1 . 1 1 498 498 THR H H 498 8.077 8.077 7.948 0.129 25010 225 1 1 . 1 1 499 499 PHE N N 499 119.315 119.315 119.156 0.159 25010 226 1 1 . 1 1 499 499 PHE HA H 499 4.571 4.571 4.649 -0.078 25010 227 1 1 . 1 1 499 499 PHE CA C 499 58.469 58.469 59.011 -0.541 25010 228 1 1 . 1 1 499 499 PHE CB C 499 38.648 38.648 39.075 -0.427 25010 229 1 1 . 1 1 499 499 PHE H H 499 8.089 8.089 8.349 -0.260 25010 230 1 1 . 1 1 500 500 LYS N N 500 120.851 120.851 119.530 1.321 25010 231 1 1 . 1 1 500 500 LYS HA H 500 4.146 4.146 4.363 -0.217 25010 232 1 1 . 1 1 500 500 LYS CA C 500 57.814 57.814 58.417 -0.603 25010 233 1 1 . 1 1 500 500 LYS CB C 500 33.603 33.603 33.746 -0.143 25010 234 1 1 . 1 1 500 500 LYS H H 500 8.100 8.100 8.103 -0.003 25010 235 1 1 . 1 1 501 501 TYR N N 501 114.551 114.551 113.430 1.121 25010 236 1 1 . 1 1 501 501 TYR HA H 501 4.782 4.782 5.746 -0.964 25010 237 1 1 . 1 1 501 501 TYR CA C 501 55.002 55.002 55.316 -0.314 25010 238 1 1 . 1 1 501 501 TYR CB C 501 41.643 41.643 40.996 0.647 25010 239 1 1 . 1 1 501 501 TYR H H 501 7.259 7.259 7.545 -0.286 25010 240 1 1 . 1 1 502 502 TRP N N 502 119.304 119.304 120.834 -1.530 25010 241 1 1 . 1 1 502 502 TRP HA H 502 5.351 5.351 4.964 0.387 25010 242 1 1 . 1 1 502 502 TRP CA C 502 55.377 55.377 55.332 0.045 25010 243 1 1 . 1 1 502 502 TRP CB C 502 30.599 30.599 32.458 -1.859 25010 244 1 1 . 1 1 502 502 TRP H H 502 8.399 8.399 8.745 -0.346 25010 245 1 1 . 1 1 503 503 PHE N N 503 119.216 119.216 116.620 2.596 25010 246 1 1 . 1 1 503 503 PHE HA H 503 5.382 5.382 5.735 -0.353 25010 247 1 1 . 1 1 503 503 PHE CA C 503 54.961 54.961 55.156 -0.195 25010 248 1 1 . 1 1 503 503 PHE CB C 503 41.607 41.607 42.275 -0.668 25010 249 1 1 . 1 1 503 503 PHE H H 503 8.840 8.840 7.985 0.855 25010 250 1 1 . 1 1 504 504 LYS N N 504 120.145 120.145 123.118 -2.973 25010 251 1 1 . 1 1 504 504 LYS HA H 504 4.887 4.887 4.868 0.019 25010 252 1 1 . 1 1 504 504 LYS CA C 504 55.586 55.586 54.728 0.858 25010 253 1 1 . 1 1 504 504 LYS CB C 504 36.415 36.415 36.794 -0.379 25010 254 1 1 . 1 1 504 504 LYS H H 504 8.870 8.870 9.020 -0.150 25010 255 1 1 . 1 1 505 505 LYS N N 505 126.170 126.170 125.192 0.978 25010 256 1 1 . 1 1 505 505 LYS HA H 505 4.901 4.901 5.022 -0.121 25010 257 1 1 . 1 1 505 505 LYS CA C 505 55.352 55.352 55.508 -0.155 25010 258 1 1 . 1 1 505 505 LYS CB C 505 34.907 34.907 34.347 0.560 25010 259 1 1 . 1 1 505 505 LYS H H 505 8.838 8.838 8.697 0.141 25010 260 1 1 . 1 1 506 506 ASP N N 506 125.883 125.883 126.985 -1.102 25010 261 1 1 . 1 1 506 506 ASP HA H 506 4.839 4.839 4.840 -0.001 25010 262 1 1 . 1 1 506 506 ASP CA C 506 52.564 52.564 53.940 -1.376 25010 263 1 1 . 1 1 506 506 ASP CB C 506 41.961 41.961 41.511 0.450 25010 264 1 1 . 1 1 506 506 ASP H H 506 8.947 8.947 8.464 0.483 25010 265 1 1 . 1 1 507 507 GLY N N 507 114.432 114.432 114.873 -0.441 25010 266 1 1 . 1 1 507 507 GLY CA C 507 47.615 47.615 47.069 0.546 25010 267 1 1 . 1 1 507 507 GLY H H 507 9.004 9.004 8.480 0.524 25010 268 1 1 . 1 1 508 508 GLN N N 508 128.557 128.557 122.737 5.820 25010 269 1 1 . 1 1 508 508 GLN HA H 508 4.119 4.119 4.331 -0.212 25010 270 1 1 . 1 1 508 508 GLN CA C 508 57.237 57.237 55.696 1.541 25010 271 1 1 . 1 1 508 508 GLN CB C 508 29.867 29.867 30.645 -0.778 25010 272 1 1 . 1 1 508 508 GLN H H 508 9.448 9.448 8.113 1.335 25010 273 1 1 . 1 1 509 509 ARG N N 509 120.332 120.332 119.741 0.591 25010 274 1 1 . 1 1 509 509 ARG HA H 509 4.986 4.986 4.278 0.708 25010 275 1 1 . 1 1 509 509 ARG CA C 509 56.146 56.146 55.520 0.626 25010 276 1 1 . 1 1 509 509 ARG CB C 509 32.012 32.012 31.818 0.194 25010 277 1 1 . 1 1 509 509 ARG H H 509 8.215 8.215 7.626 0.589 25010 278 1 1 . 1 1 510 510 HIS N N 510 122.773 122.773 122.285 0.488 25010 279 1 1 . 1 1 510 510 HIS HA H 510 5.136 5.136 5.838 -0.702 25010 280 1 1 . 1 1 510 510 HIS CA C 510 56.449 56.449 54.420 2.029 25010 281 1 1 . 1 1 510 510 HIS CB C 510 35.290 35.290 32.683 2.607 25010 282 1 1 . 1 1 510 510 HIS H H 510 8.786 8.786 8.358 0.428 25010 283 1 1 . 1 1 511 511 HIS N N 511 119.128 119.128 122.321 -3.193 25010 284 1 1 . 1 1 511 511 HIS HA H 511 6.075 6.075 5.187 0.888 25010 285 1 1 . 1 1 511 511 HIS CA C 511 53.818 53.818 54.935 -1.117 25010 286 1 1 . 1 1 511 511 HIS CB C 511 33.422 33.422 32.431 0.991 25010 287 1 1 . 1 1 511 511 HIS H H 511 9.269 9.269 9.087 0.182 25010 288 1 1 . 1 1 512 512 LEU N N 512 125.504 125.504 127.512 -2.008 25010 289 1 1 . 1 1 512 512 LEU HA H 512 4.384 4.384 4.856 -0.472 25010 290 1 1 . 1 1 512 512 LEU CA C 512 54.196 54.196 53.398 0.798 25010 291 1 1 . 1 1 512 512 LEU CB C 512 42.275 42.275 43.536 -1.261 25010 292 1 1 . 1 1 512 512 LEU H H 512 8.345 8.345 9.201 -0.856 25010 293 1 1 . 1 1 513 513 ILE N N 513 127.867 127.867 128.326 -0.459 25010 294 1 1 . 1 1 513 513 ILE HA H 513 4.907 4.907 4.219 0.688 25010 295 1 1 . 1 1 513 513 ILE CA C 513 59.524 59.524 59.998 -0.474 25010 296 1 1 . 1 1 513 513 ILE CB C 513 40.044 40.044 39.098 0.946 25010 297 1 1 . 1 1 513 513 ILE H H 513 8.776 8.776 8.811 -0.035 25010 298 1 1 . 1 1 514 514 ILE N N 514 125.882 125.882 128.565 -2.683 25010 299 1 1 . 1 1 514 514 ILE HA H 514 4.354 4.354 4.665 -0.311 25010 300 1 1 . 1 1 514 514 ILE CA C 514 60.058 60.058 60.633 -0.575 25010 301 1 1 . 1 1 514 514 ILE CB C 514 39.802 39.802 39.036 0.766 25010 302 1 1 . 1 1 514 514 ILE H H 514 8.777 8.777 8.832 -0.055 25010 303 1 1 . 1 1 515 515 ASN N N 515 124.270 124.270 125.736 -1.466 25010 304 1 1 . 1 1 515 515 ASN HA H 515 4.277 4.277 4.599 -0.322 25010 305 1 1 . 1 1 515 515 ASN CA C 515 57.166 57.166 56.349 0.817 25010 306 1 1 . 1 1 515 515 ASN CB C 515 38.944 38.944 39.241 -0.297 25010 307 1 1 . 1 1 515 515 ASN H H 515 8.068 8.068 8.649 -0.581 25010 308 1 1 . 1 1 516 516 GLU N N 516 117.624 117.624 117.600 0.024 25010 309 1 1 . 1 1 516 516 GLU HA H 516 3.841 3.841 4.666 -0.825 25010 310 1 1 . 1 1 516 516 GLU CA C 516 55.032 55.032 55.317 -0.285 25010 311 1 1 . 1 1 516 516 GLU CB C 516 31.030 31.030 32.387 -1.357 25010 312 1 1 . 1 1 516 516 GLU H H 516 8.320 8.320 7.931 0.389 25010 313 1 1 . 1 1 517 517 ALA N N 517 125.884 125.884 128.908 -3.024 25010 314 1 1 . 1 1 517 517 ALA HA H 517 4.186 4.186 4.346 -0.160 25010 315 1 1 . 1 1 517 517 ALA CA C 517 53.726 53.726 53.114 0.612 25010 316 1 1 . 1 1 517 517 ALA CB C 517 18.902 18.902 19.544 -0.642 25010 317 1 1 . 1 1 517 517 ALA H H 517 8.735 8.735 8.979 -0.244 25010 318 1 1 . 1 1 518 518 MET N N 518 123.090 123.090 122.561 0.529 25010 319 1 1 . 1 1 518 518 MET HA H 518 4.888 4.888 4.800 0.088 25010 320 1 1 . 1 1 518 518 MET CA C 518 53.006 53.006 53.040 -0.034 25010 321 1 1 . 1 1 518 518 MET CB C 518 36.535 36.535 35.287 1.248 25010 322 1 1 . 1 1 518 518 MET H H 518 9.831 9.831 8.072 1.759 25010 323 1 1 . 1 1 519 519 LEU N N 519 123.171 123.171 123.389 -0.218 25010 324 1 1 . 1 1 519 519 LEU HA H 519 3.846 3.846 4.117 -0.271 25010 325 1 1 . 1 1 519 519 LEU CA C 519 59.407 59.407 58.354 1.053 25010 326 1 1 . 1 1 519 519 LEU CB C 519 40.967 40.967 40.385 0.582 25010 327 1 1 . 1 1 519 519 LEU H H 519 9.108 9.108 8.673 0.435 25010 328 1 1 . 1 1 520 520 GLU N N 520 115.409 115.409 118.559 -3.150 25010 329 1 1 . 1 1 520 520 GLU HA H 520 4.257 4.257 3.967 0.290 25010 330 1 1 . 1 1 520 520 GLU CA C 520 58.537 58.537 59.209 -0.672 25010 331 1 1 . 1 1 520 520 GLU CB C 520 28.123 28.123 29.360 -1.238 25010 332 1 1 . 1 1 520 520 GLU H H 520 9.118 9.118 8.813 0.305 25010 333 1 1 . 1 1 521 521 ASP N N 521 117.154 117.154 117.485 -0.331 25010 334 1 1 . 1 1 521 521 ASP HA H 521 4.692 4.692 4.621 0.071 25010 335 1 1 . 1 1 521 521 ASP CA C 521 56.134 56.134 55.458 0.676 25010 336 1 1 . 1 1 521 521 ASP CB C 521 41.053 41.053 40.777 0.276 25010 337 1 1 . 1 1 521 521 ASP H H 521 8.114 8.114 7.879 0.235 25010 338 1 1 . 1 1 522 522 ALA N N 522 123.368 123.368 121.595 1.773 25010 339 1 1 . 1 1 522 522 ALA HA H 522 4.159 4.159 4.348 -0.189 25010 340 1 1 . 1 1 522 522 ALA CA C 522 53.689 53.689 52.584 1.105 25010 341 1 1 . 1 1 522 522 ALA CB C 522 19.915 19.915 18.610 1.305 25010 342 1 1 . 1 1 522 522 ALA H H 522 7.572 7.572 7.209 0.363 25010 343 1 1 . 1 1 523 523 GLY N N 523 107.946 107.946 105.201 2.745 25010 344 1 1 . 1 1 523 523 GLY CA C 523 45.093 45.093 43.695 1.398 25010 345 1 1 . 1 1 523 523 GLY H H 523 8.509 8.509 7.274 1.235 25010 346 1 1 . 1 1 524 524 HIS N N 524 119.840 119.840 118.434 1.406 25010 347 1 1 . 1 1 524 524 HIS HA H 524 5.290 5.290 4.351 0.939 25010 348 1 1 . 1 1 524 524 HIS CA C 524 56.034 56.034 56.341 -0.307 25010 349 1 1 . 1 1 524 524 HIS CB C 524 30.145 30.145 30.852 -0.707 25010 350 1 1 . 1 1 524 524 HIS H H 524 9.142 9.142 8.100 1.042 25010 351 1 1 . 1 1 525 525 TYR N N 525 127.518 127.518 120.582 6.936 25010 352 1 1 . 1 1 525 525 TYR HA H 525 5.218 5.218 5.182 0.036 25010 353 1 1 . 1 1 525 525 TYR CA C 525 57.358 57.358 56.833 0.525 25010 354 1 1 . 1 1 525 525 TYR CB C 525 40.926 40.926 40.761 0.165 25010 355 1 1 . 1 1 525 525 TYR H H 525 9.590 9.590 8.660 0.930 25010 356 1 1 . 1 1 526 526 ALA N N 526 121.840 121.840 125.904 -4.064 25010 357 1 1 . 1 1 526 526 ALA HA H 526 5.608 5.608 5.368 0.240 25010 358 1 1 . 1 1 526 526 ALA CA C 526 49.627 49.627 49.841 -0.214 25010 359 1 1 . 1 1 526 526 ALA CB C 526 24.176 24.176 22.697 1.479 25010 360 1 1 . 1 1 526 526 ALA H H 526 9.116 9.116 9.386 -0.270 25010 361 1 1 . 1 1 527 527 LEU N N 527 121.819 121.819 124.240 -2.421 25010 362 1 1 . 1 1 527 527 LEU HA H 527 4.564 4.564 5.050 -0.486 25010 363 1 1 . 1 1 527 527 LEU CA C 527 53.112 53.112 53.136 -0.024 25010 364 1 1 . 1 1 527 527 LEU CB C 527 42.995 42.995 44.500 -1.505 25010 365 1 1 . 1 1 527 527 LEU H H 527 8.177 8.177 8.986 -0.809 25010 366 1 1 . 1 1 528 528 CYS N N 528 122.918 122.918 128.343 -5.425 25010 367 1 1 . 1 1 528 528 CYS HA H 528 4.995 4.995 4.696 0.299 25010 368 1 1 . 1 1 528 528 CYS CA C 528 57.302 57.302 58.164 -0.862 25010 369 1 1 . 1 1 528 528 CYS CB C 528 29.928 29.928 26.211 3.717 25010 370 1 1 . 1 1 528 528 CYS H H 528 8.991 8.991 8.901 0.090 25010 371 1 1 . 1 1 529 529 THR N N 529 116.311 116.311 120.437 -4.126 25010 372 1 1 . 1 1 529 529 THR HA H 529 4.717 4.717 4.613 0.104 25010 373 1 1 . 1 1 529 529 THR CA C 529 59.605 59.605 60.668 -1.063 25010 374 1 1 . 1 1 529 529 THR CB C 529 71.228 71.228 71.441 -0.213 25010 375 1 1 . 1 1 529 529 THR H H 529 8.688 8.688 7.995 0.693 25010 376 1 1 . 1 1 530 530 SER N N 530 115.043 115.043 118.748 -3.705 25010 377 1 1 . 1 1 530 530 SER HA H 530 4.284 4.284 4.344 -0.060 25010 378 1 1 . 1 1 530 530 SER CA C 530 59.975 59.975 60.689 -0.714 25010 379 1 1 . 1 1 530 530 SER CB C 530 62.698 62.698 63.453 -0.755 25010 380 1 1 . 1 1 530 530 SER H H 530 9.371 9.371 8.798 0.573 25010 381 1 1 . 1 1 531 531 GLY N N 531 108.631 108.631 109.585 -0.954 25010 382 1 1 . 1 1 531 531 GLY CA C 531 45.295 45.295 44.718 0.577 25010 383 1 1 . 1 1 531 531 GLY H H 531 8.173 8.173 7.678 0.495 25010 384 1 1 . 1 1 532 532 GLY N N 532 109.029 109.029 107.155 1.874 25010 385 1 1 . 1 1 532 532 GLY CA C 532 45.389 45.389 44.275 1.114 25010 386 1 1 . 1 1 532 532 GLY H H 532 7.540 7.540 7.970 -0.430 25010 387 1 1 . 1 1 533 533 GLN N N 533 116.724 116.724 118.156 -1.432 25010 388 1 1 . 1 1 533 533 GLN HA H 533 5.357 5.357 4.747 0.610 25010 389 1 1 . 1 1 533 533 GLN CA C 533 54.682 54.682 54.828 -0.146 25010 390 1 1 . 1 1 533 533 GLN CB C 533 32.353 32.353 32.014 0.339 25010 391 1 1 . 1 1 533 533 GLN H H 533 8.309 8.309 8.278 0.031 25010 392 1 1 . 1 1 534 534 ALA N N 534 126.868 126.868 130.136 -3.268 25010 393 1 1 . 1 1 534 534 ALA HA H 534 4.870 4.870 4.756 0.114 25010 394 1 1 . 1 1 534 534 ALA CA C 534 50.764 50.764 50.874 -0.110 25010 395 1 1 . 1 1 534 534 ALA CB C 534 22.046 22.046 20.093 1.953 25010 396 1 1 . 1 1 534 534 ALA H H 534 8.876 8.876 8.516 0.360 25010 397 1 1 . 1 1 535 535 LEU N N 535 122.735 122.735 125.410 -2.675 25010 398 1 1 . 1 1 535 535 LEU HA H 535 5.401 5.401 4.936 0.465 25010 399 1 1 . 1 1 535 535 LEU CA C 535 54.530 54.530 53.937 0.593 25010 400 1 1 . 1 1 535 535 LEU CB C 535 46.423 46.423 44.668 1.755 25010 401 1 1 . 1 1 535 535 LEU H H 535 8.445 8.445 8.636 -0.191 25010 402 1 1 . 1 1 536 536 ALA N N 536 125.503 125.503 129.310 -3.807 25010 403 1 1 . 1 1 536 536 ALA HA H 536 4.758 4.758 4.750 0.008 25010 404 1 1 . 1 1 536 536 ALA CA C 536 51.975 51.975 51.485 0.490 25010 405 1 1 . 1 1 536 536 ALA CB C 536 24.534 24.534 22.406 2.128 25010 406 1 1 . 1 1 536 536 ALA H H 536 9.375 9.375 8.836 0.539 25010 407 1 1 . 1 1 537 537 GLU N N 537 121.939 121.939 120.311 1.628 25010 408 1 1 . 1 1 537 537 GLU HA H 537 4.942 4.942 4.367 0.575 25010 409 1 1 . 1 1 537 537 GLU CA C 537 55.059 55.059 54.752 0.307 25010 410 1 1 . 1 1 537 537 GLU CB C 537 31.991 31.991 30.555 1.437 25010 411 1 1 . 1 1 537 537 GLU H H 537 9.320 9.320 8.420 0.900 25010 412 1 1 . 1 1 538 538 LEU N N 538 125.030 125.030 125.388 -0.358 25010 413 1 1 . 1 1 538 538 LEU HA H 538 5.372 5.372 4.659 0.713 25010 414 1 1 . 1 1 538 538 LEU CA C 538 53.663 53.663 54.295 -0.632 25010 415 1 1 . 1 1 538 538 LEU CB C 538 45.180 45.180 43.934 1.246 25010 416 1 1 . 1 1 538 538 LEU H H 538 9.306 9.306 8.558 0.748 25010 417 1 1 . 1 1 539 539 ILE N N 539 130.825 130.825 126.521 4.304 25010 418 1 1 . 1 1 539 539 ILE HA H 539 4.304 4.304 4.356 -0.052 25010 419 1 1 . 1 1 539 539 ILE CA C 539 61.221 61.221 60.494 0.727 25010 420 1 1 . 1 1 539 539 ILE CB C 539 39.938 39.938 39.578 0.360 25010 421 1 1 . 1 1 539 539 ILE H H 539 8.908 8.908 8.560 0.348 25010 422 1 1 . 1 1 540 540 VAL N N 540 125.447 125.447 127.617 -2.170 25010 423 1 1 . 1 1 540 540 VAL HA H 540 4.806 4.806 4.565 0.241 25010 424 1 1 . 1 1 540 540 VAL CA C 540 60.340 60.340 60.895 -0.555 25010 425 1 1 . 1 1 540 540 VAL CB C 540 33.794 33.794 31.030 2.764 25010 426 1 1 . 1 1 540 540 VAL H H 540 7.890 7.890 8.682 -0.792 25010 427 1 1 . 1 1 541 541 GLN N N 541 126.060 126.060 127.670 -1.610 25010 428 1 1 . 1 1 541 541 GLN HA H 541 4.652 4.652 4.523 0.129 25010 429 1 1 . 1 1 541 541 GLN CA C 541 54.441 54.441 54.762 -0.321 25010 430 1 1 . 1 1 541 541 GLN CB C 541 30.994 30.994 30.512 0.482 25010 431 1 1 . 1 1 541 541 GLN H H 541 9.089 9.089 8.694 0.395 25010 432 1 1 . 1 1 542 542 GLU N N 542 122.213 122.213 121.471 0.742 25010 433 1 1 . 1 1 542 542 GLU HA H 542 4.340 4.340 4.300 0.040 25010 434 1 1 . 1 1 542 542 GLU CA C 542 57.168 57.168 56.645 0.523 25010 435 1 1 . 1 1 542 542 GLU CB C 542 32.061 32.061 30.681 1.380 25010 436 1 1 . 1 1 542 542 GLU H H 542 8.763 8.763 8.469 0.294 25010 437 1 2 . 1 1 451 451 HIS HA H 451 4.666 4.666 4.848 -0.182 25010 438 1 2 . 1 1 451 451 HIS CA C 451 56.039 56.039 55.207 0.832 25010 439 1 2 . 1 1 451 451 HIS CB C 451 30.388 30.388 31.923 -1.535 25010 440 1 2 . 1 1 452 452 MET N N 452 123.092 123.092 121.160 1.932 25010 441 1 2 . 1 1 452 452 MET CB C 452 32.012 32.012 32.352 -0.341 25010 442 1 2 . 1 1 452 452 MET H H 452 8.328 8.328 8.374 -0.046 25010 443 1 2 . 1 1 453 453 PRO HA H 453 4.316 4.316 4.492 -0.176 25010 444 1 2 . 1 1 453 453 PRO CA C 453 62.807 62.807 62.016 0.791 25010 445 1 2 . 1 1 453 453 PRO CB C 453 32.230 32.230 32.379 -0.149 25010 446 1 2 . 1 1 454 454 VAL N N 454 122.113 122.113 121.475 0.638 25010 447 1 2 . 1 1 454 454 VAL HA H 454 3.762 3.762 3.911 -0.149 25010 448 1 2 . 1 1 454 454 VAL CA C 454 63.093 63.093 62.562 0.531 25010 449 1 2 . 1 1 454 454 VAL CB C 454 32.192 32.192 30.841 1.351 25010 450 1 2 . 1 1 454 454 VAL H H 454 7.806 7.806 8.274 -0.468 25010 451 1 2 . 1 1 455 455 LEU N N 455 129.322 129.322 127.816 1.506 25010 452 1 2 . 1 1 455 455 LEU HA H 455 4.459 4.459 4.391 0.068 25010 453 1 2 . 1 1 455 455 LEU CA C 455 53.133 53.133 54.388 -1.255 25010 454 1 2 . 1 1 455 455 LEU CB C 455 43.699 43.699 42.643 1.056 25010 455 1 2 . 1 1 455 455 LEU H H 455 8.586 8.586 8.031 0.555 25010 456 1 2 . 1 1 456 456 ILE N N 456 120.924 120.924 124.441 -3.517 25010 457 1 2 . 1 1 456 456 ILE HA H 456 4.259 4.259 4.239 0.020 25010 458 1 2 . 1 1 456 456 ILE CA C 456 60.937 60.937 59.881 1.056 25010 459 1 2 . 1 1 456 456 ILE CB C 456 36.860 36.860 36.400 0.460 25010 460 1 2 . 1 1 456 456 ILE H H 456 8.519 8.519 8.526 -0.007 25010 461 1 2 . 1 1 457 457 THR N N 457 120.896 120.896 123.855 -2.959 25010 462 1 2 . 1 1 457 457 THR HA H 457 4.297 4.297 4.216 0.081 25010 463 1 2 . 1 1 457 457 THR CA C 457 62.783 62.783 64.209 -1.426 25010 464 1 2 . 1 1 457 457 THR CB C 457 67.927 67.927 69.426 -1.499 25010 465 1 2 . 1 1 457 457 THR H H 457 8.671 8.671 8.979 -0.308 25010 466 1 2 . 1 1 458 458 ARG N N 458 122.706 122.706 120.739 1.967 25010 467 1 2 . 1 1 458 458 ARG HA H 458 4.931 4.931 4.891 0.040 25010 468 1 2 . 1 1 458 458 ARG CA C 458 53.816 53.816 51.974 1.842 25010 469 1 2 . 1 1 458 458 ARG CB C 458 32.443 32.443 31.404 1.039 25010 470 1 2 . 1 1 458 458 ARG H H 458 7.576 7.576 7.629 -0.053 25010 471 1 2 . 1 1 459 459 PRO HA H 459 4.315 4.315 4.488 -0.173 25010 472 1 2 . 1 1 459 459 PRO CA C 459 62.763 62.763 62.490 0.272 25010 473 1 2 . 1 1 459 459 PRO CB C 459 32.644 32.644 32.527 0.117 25010 474 1 2 . 1 1 460 460 LEU N N 460 115.406 115.406 119.008 -3.602 25010 475 1 2 . 1 1 460 460 LEU HA H 460 4.575 4.575 4.410 0.165 25010 476 1 2 . 1 1 460 460 LEU CA C 460 55.114 55.114 54.045 1.069 25010 477 1 2 . 1 1 460 460 LEU CB C 460 45.383 45.383 42.850 2.533 25010 478 1 2 . 1 1 460 460 LEU H H 460 6.134 6.134 8.015 -1.881 25010 479 1 2 . 1 1 461 461 GLU N N 461 120.629 120.629 120.488 0.141 25010 480 1 2 . 1 1 461 461 GLU HA H 461 4.826 4.826 4.257 0.569 25010 481 1 2 . 1 1 461 461 GLU CA C 461 54.846 54.846 56.624 -1.778 25010 482 1 2 . 1 1 461 461 GLU CB C 461 32.513 32.513 29.511 3.002 25010 483 1 2 . 1 1 461 461 GLU H H 461 8.409 8.409 8.646 -0.237 25010 484 1 2 . 1 1 462 462 ASP N N 462 122.487 122.487 123.028 -0.541 25010 485 1 2 . 1 1 462 462 ASP HA H 462 5.043 5.043 4.501 0.542 25010 486 1 2 . 1 1 462 462 ASP CA C 462 55.551 55.551 54.579 0.972 25010 487 1 2 . 1 1 462 462 ASP CB C 462 41.180 41.180 41.368 -0.188 25010 488 1 2 . 1 1 462 462 ASP H H 462 8.603 8.603 8.605 -0.002 25010 489 1 2 . 1 1 463 463 GLN N N 463 117.119 117.119 119.786 -2.667 25010 490 1 2 . 1 1 463 463 GLN HA H 463 4.687 4.687 4.376 0.311 25010 491 1 2 . 1 1 463 463 GLN CA C 463 54.383 54.383 55.121 -0.738 25010 492 1 2 . 1 1 463 463 GLN CB C 463 33.212 33.212 29.854 3.358 25010 493 1 2 . 1 1 463 463 GLN H H 463 8.785 8.785 7.718 1.067 25010 494 1 2 . 1 1 464 464 LEU N N 464 127.523 127.523 123.015 4.508 25010 495 1 2 . 1 1 464 464 LEU HA H 464 5.337 5.337 4.507 0.830 25010 496 1 2 . 1 1 464 464 LEU CA C 464 54.511 54.511 54.396 0.115 25010 497 1 2 . 1 1 464 464 LEU CB C 464 44.048 44.048 43.344 0.704 25010 498 1 2 . 1 1 464 464 LEU H H 464 8.420 8.420 8.316 0.104 25010 499 1 2 . 1 1 465 465 VAL N N 465 119.244 119.244 120.528 -1.284 25010 500 1 2 . 1 1 465 465 VAL HA H 465 4.796 4.796 4.591 0.205 25010 501 1 2 . 1 1 465 465 VAL CA C 465 58.546 58.546 59.879 -1.333 25010 502 1 2 . 1 1 465 465 VAL CB C 465 36.136 36.136 35.901 0.235 25010 503 1 2 . 1 1 465 465 VAL H H 465 8.730 8.730 8.938 -0.208 25010 504 1 2 . 1 1 466 466 MET N N 466 119.234 119.234 117.562 1.672 25010 505 1 2 . 1 1 466 466 MET HA H 466 5.269 5.269 5.057 0.212 25010 506 1 2 . 1 1 466 466 MET CA C 466 52.842 52.842 54.081 -1.239 25010 507 1 2 . 1 1 466 466 MET CB C 466 33.563 33.563 36.447 -2.884 25010 508 1 2 . 1 1 466 466 MET H H 466 8.099 8.099 8.043 0.056 25010 509 1 2 . 1 1 467 467 VAL N N 467 119.519 119.519 119.912 -0.393 25010 510 1 2 . 1 1 467 467 VAL HA H 467 3.457 3.457 4.112 -0.655 25010 511 1 2 . 1 1 467 467 VAL CA C 467 64.434 64.434 63.369 1.065 25010 512 1 2 . 1 1 467 467 VAL CB C 467 32.220 32.220 31.605 0.615 25010 513 1 2 . 1 1 467 467 VAL H H 467 7.917 7.917 7.998 -0.081 25010 514 1 2 . 1 1 468 468 GLY N N 468 115.365 115.365 114.733 0.632 25010 515 1 2 . 1 1 468 468 GLY CA C 468 44.814 44.814 44.793 0.021 25010 516 1 2 . 1 1 468 468 GLY H H 468 9.845 9.845 8.652 1.193 25010 517 1 2 . 1 1 469 469 GLN N N 469 120.329 120.329 117.659 2.670 25010 518 1 2 . 1 1 469 469 GLN HA H 469 4.433 4.433 4.649 -0.216 25010 519 1 2 . 1 1 469 469 GLN CA C 469 55.841 55.841 54.082 1.759 25010 520 1 2 . 1 1 469 469 GLN CB C 469 30.198 30.198 31.222 -1.024 25010 521 1 2 . 1 1 469 469 GLN H H 469 7.984 7.984 7.442 0.542 25010 522 1 2 . 1 1 470 470 ARG N N 470 122.940 122.940 122.519 0.421 25010 523 1 2 . 1 1 470 470 ARG HA H 470 4.603 4.603 4.960 -0.357 25010 524 1 2 . 1 1 470 470 ARG CA C 470 55.873 55.873 55.970 -0.097 25010 525 1 2 . 1 1 470 470 ARG CB C 470 31.614 31.614 31.414 0.200 25010 526 1 2 . 1 1 470 470 ARG H H 470 8.138 8.138 8.606 -0.468 25010 527 1 2 . 1 1 471 471 VAL N N 471 127.100 127.100 124.701 2.399 25010 528 1 2 . 1 1 471 471 VAL HA H 471 4.135 4.135 4.192 -0.057 25010 529 1 2 . 1 1 471 471 VAL CA C 471 60.424 60.424 60.593 -0.168 25010 530 1 2 . 1 1 471 471 VAL CB C 471 34.725 34.725 34.222 0.503 25010 531 1 2 . 1 1 471 471 VAL H H 471 8.869 8.869 8.727 0.142 25010 532 1 2 . 1 1 472 472 GLU N N 472 126.220 126.220 126.062 0.158 25010 533 1 2 . 1 1 472 472 GLU HA H 472 5.096 5.096 4.365 0.731 25010 534 1 2 . 1 1 472 472 GLU CA C 472 54.644 54.644 54.740 -0.096 25010 535 1 2 . 1 1 472 472 GLU CB C 472 32.890 32.890 30.925 1.965 25010 536 1 2 . 1 1 472 472 GLU H H 472 8.601 8.601 8.435 0.166 25010 537 1 2 . 1 1 473 473 PHE N N 473 125.641 125.641 127.247 -1.606 25010 538 1 2 . 1 1 473 473 PHE HA H 473 4.747 4.747 4.653 0.094 25010 539 1 2 . 1 1 473 473 PHE CA C 473 57.513 57.513 56.575 0.938 25010 540 1 2 . 1 1 473 473 PHE CB C 473 41.975 41.975 40.411 1.564 25010 541 1 2 . 1 1 473 473 PHE H H 473 9.275 9.275 8.610 0.665 25010 542 1 2 . 1 1 474 474 GLU N N 474 120.663 120.663 123.889 -3.226 25010 543 1 2 . 1 1 474 474 GLU HA H 474 5.369 5.369 3.825 1.544 25010 544 1 2 . 1 1 474 474 GLU CA C 474 54.976 54.976 55.631 -0.655 25010 545 1 2 . 1 1 474 474 GLU CB C 474 32.849 32.849 31.026 1.823 25010 546 1 2 . 1 1 474 474 GLU H H 474 8.452 8.452 8.844 -0.392 25010 547 1 2 . 1 1 475 475 CYS N N 475 121.477 121.477 123.354 -1.877 25010 548 1 2 . 1 1 475 475 CYS HA H 475 4.818 4.818 4.895 -0.077 25010 549 1 2 . 1 1 475 475 CYS CA C 475 56.706 56.706 57.520 -0.814 25010 550 1 2 . 1 1 475 475 CYS CB C 475 30.937 30.937 30.020 0.917 25010 551 1 2 . 1 1 475 475 CYS H H 475 9.015 9.015 8.392 0.623 25010 552 1 2 . 1 1 476 476 GLU N N 476 123.383 123.383 127.411 -4.028 25010 553 1 2 . 1 1 476 476 GLU HA H 476 5.522 5.522 4.730 0.792 25010 554 1 2 . 1 1 476 476 GLU CA C 476 55.076 55.076 54.665 0.411 25010 555 1 2 . 1 1 476 476 GLU CB C 476 33.796 33.796 31.600 2.196 25010 556 1 2 . 1 1 476 476 GLU H H 476 8.574 8.574 8.356 0.218 25010 557 1 2 . 1 1 477 477 VAL N N 477 116.481 116.481 119.934 -3.453 25010 558 1 2 . 1 1 477 477 VAL HA H 477 5.430 5.430 4.827 0.603 25010 559 1 2 . 1 1 477 477 VAL CA C 477 58.827 58.827 60.379 -1.552 25010 560 1 2 . 1 1 477 477 VAL CB C 477 34.087 34.087 32.703 1.384 25010 561 1 2 . 1 1 477 477 VAL H H 477 8.739 8.739 8.150 0.589 25010 562 1 2 . 1 1 478 478 SER N N 478 111.234 111.234 117.774 -6.540 25010 563 1 2 . 1 1 478 478 SER HA H 478 4.072 4.072 4.355 -0.283 25010 564 1 2 . 1 1 478 478 SER CA C 478 60.984 60.984 60.178 0.806 25010 565 1 2 . 1 1 478 478 SER CB C 478 63.568 63.568 63.855 -0.287 25010 566 1 2 . 1 1 478 478 SER H H 478 8.779 8.779 8.420 0.359 25010 567 1 2 . 1 1 479 479 GLU N N 479 116.983 116.983 119.641 -2.658 25010 568 1 2 . 1 1 479 479 GLU HA H 479 4.872 4.872 4.601 0.271 25010 569 1 2 . 1 1 479 479 GLU CA C 479 54.615 54.615 54.944 -0.329 25010 570 1 2 . 1 1 479 479 GLU CB C 479 33.654 33.654 32.480 1.174 25010 571 1 2 . 1 1 479 479 GLU H H 479 6.800 6.800 8.056 -1.256 25010 572 1 2 . 1 1 480 480 GLU N N 480 124.422 124.422 123.671 0.751 25010 573 1 2 . 1 1 480 480 GLU HA H 480 4.405 4.405 4.102 0.303 25010 574 1 2 . 1 1 480 480 GLU CA C 480 57.861 57.861 57.602 0.259 25010 575 1 2 . 1 1 480 480 GLU CB C 480 29.787 29.787 30.083 -0.296 25010 576 1 2 . 1 1 480 480 GLU H H 480 9.243 9.243 8.818 0.425 25010 577 1 2 . 1 1 481 481 GLY CA C 481 45.916 45.916 44.983 0.933 25010 578 1 2 . 1 1 482 482 ALA N N 482 121.277 121.277 123.385 -2.108 25010 579 1 2 . 1 1 482 482 ALA HA H 482 4.513 4.513 4.459 0.054 25010 580 1 2 . 1 1 482 482 ALA CA C 482 52.243 52.243 51.494 0.749 25010 581 1 2 . 1 1 482 482 ALA CB C 482 20.653 20.653 19.413 1.240 25010 582 1 2 . 1 1 482 482 ALA H H 482 7.449 7.449 7.752 -0.303 25010 583 1 2 . 1 1 483 483 GLN N N 483 121.318 121.318 122.697 -1.379 25010 584 1 2 . 1 1 483 483 GLN HA H 483 4.481 4.481 4.233 0.248 25010 585 1 2 . 1 1 483 483 GLN CA C 483 55.471 55.471 56.056 -0.585 25010 586 1 2 . 1 1 483 483 GLN CB C 483 28.077 28.077 29.619 -1.542 25010 587 1 2 . 1 1 483 483 GLN H H 483 8.541 8.541 8.392 0.149 25010 588 1 2 . 1 1 484 484 VAL N N 484 118.395 118.395 114.923 3.472 25010 589 1 2 . 1 1 484 484 VAL HA H 484 4.919 4.919 4.569 0.350 25010 590 1 2 . 1 1 484 484 VAL CA C 484 58.491 58.491 59.471 -0.980 25010 591 1 2 . 1 1 484 484 VAL CB C 484 34.518 34.518 34.527 -0.009 25010 592 1 2 . 1 1 484 484 VAL H H 484 8.283 8.283 7.834 0.449 25010 593 1 2 . 1 1 485 485 LYS N N 485 119.957 119.957 124.487 -4.530 25010 594 1 2 . 1 1 485 485 LYS HA H 485 4.594 4.594 4.593 0.001 25010 595 1 2 . 1 1 485 485 LYS CA C 485 55.038 55.038 54.719 0.319 25010 596 1 2 . 1 1 485 485 LYS CB C 485 36.678 36.678 35.986 0.692 25010 597 1 2 . 1 1 485 485 LYS H H 485 8.039 8.039 8.318 -0.279 25010 598 1 2 . 1 1 486 486 TRP N N 486 123.677 123.677 125.659 -1.982 25010 599 1 2 . 1 1 486 486 TRP HA H 486 5.608 5.608 4.841 0.767 25010 600 1 2 . 1 1 486 486 TRP CA C 486 55.766 55.766 56.279 -0.513 25010 601 1 2 . 1 1 486 486 TRP CB C 486 32.033 32.033 30.665 1.368 25010 602 1 2 . 1 1 486 486 TRP H H 486 8.767 8.767 8.736 0.031 25010 603 1 2 . 1 1 487 487 LEU N N 487 121.292 121.292 125.736 -4.444 25010 604 1 2 . 1 1 487 487 LEU HA H 487 5.199 5.199 4.823 0.376 25010 605 1 2 . 1 1 487 487 LEU CA C 487 53.645 53.645 53.895 -0.250 25010 606 1 2 . 1 1 487 487 LEU CB C 487 46.241 46.241 45.212 1.029 25010 607 1 2 . 1 1 487 487 LEU H H 487 9.599 9.599 9.492 0.107 25010 608 1 2 . 1 1 488 488 LYS N N 488 119.097 119.097 128.088 -8.991 25010 609 1 2 . 1 1 488 488 LYS HA H 488 4.448 4.448 4.236 0.212 25010 610 1 2 . 1 1 488 488 LYS CA C 488 55.221 55.221 55.181 0.040 25010 611 1 2 . 1 1 488 488 LYS CB C 488 35.636 35.636 33.168 2.468 25010 612 1 2 . 1 1 488 488 LYS H H 488 8.702 8.702 9.101 -0.399 25010 613 1 2 . 1 1 489 489 ASP N N 489 130.255 130.255 127.925 2.330 25010 614 1 2 . 1 1 489 489 ASP HA H 489 4.377 4.377 4.323 0.054 25010 615 1 2 . 1 1 489 489 ASP CA C 489 55.843 55.843 55.405 0.438 25010 616 1 2 . 1 1 489 489 ASP CB C 489 40.211 40.211 39.839 0.372 25010 617 1 2 . 1 1 489 489 ASP H H 489 9.895 9.895 9.055 0.840 25010 618 1 2 . 1 1 490 490 GLY N N 490 101.682 101.682 104.182 -2.500 25010 619 1 2 . 1 1 490 490 GLY CA C 490 45.394 45.394 45.058 0.336 25010 620 1 2 . 1 1 490 490 GLY H H 490 8.673 8.673 8.647 0.026 25010 621 1 2 . 1 1 491 491 VAL N N 491 123.371 123.371 123.683 -0.312 25010 622 1 2 . 1 1 491 491 VAL HA H 491 4.197 4.197 4.132 0.065 25010 623 1 2 . 1 1 491 491 VAL CA C 491 61.597 61.597 61.360 0.237 25010 624 1 2 . 1 1 491 491 VAL CB C 491 33.598 33.598 32.549 1.049 25010 625 1 2 . 1 1 491 491 VAL H H 491 7.954 7.954 7.860 0.094 25010 626 1 2 . 1 1 492 492 GLU N N 492 127.934 127.934 129.248 -1.314 25010 627 1 2 . 1 1 492 492 GLU HA H 492 4.410 4.410 4.375 0.035 25010 628 1 2 . 1 1 492 492 GLU CA C 492 57.649 57.649 56.612 1.036 25010 629 1 2 . 1 1 492 492 GLU CB C 492 29.242 29.242 30.333 -1.091 25010 630 1 2 . 1 1 492 492 GLU H H 492 8.781 8.781 8.710 0.071 25010 631 1 2 . 1 1 493 493 LEU N N 493 127.787 127.787 125.367 2.420 25010 632 1 2 . 1 1 493 493 LEU HA H 493 4.591 4.591 4.756 -0.165 25010 633 1 2 . 1 1 493 493 LEU CA C 493 54.628 54.628 53.267 1.361 25010 634 1 2 . 1 1 493 493 LEU CB C 493 41.823 41.823 43.428 -1.605 25010 635 1 2 . 1 1 493 493 LEU H H 493 8.934 8.934 8.113 0.821 25010 636 1 2 . 1 1 494 494 THR N N 494 114.564 114.564 110.499 4.065 25010 637 1 2 . 1 1 494 494 THR HA H 494 4.238 4.238 4.799 -0.561 25010 638 1 2 . 1 1 494 494 THR CA C 494 61.209 61.209 60.365 0.844 25010 639 1 2 . 1 1 494 494 THR CB C 494 70.420 70.420 71.087 -0.667 25010 640 1 2 . 1 1 494 494 THR H H 494 8.338 8.338 9.444 -1.106 25010 641 1 2 . 1 1 495 495 ARG N N 495 121.286 121.286 122.994 -1.708 25010 642 1 2 . 1 1 495 495 ARG HA H 495 4.421 4.421 4.296 0.125 25010 643 1 2 . 1 1 495 495 ARG CA C 495 56.805 56.805 57.515 -0.710 25010 644 1 2 . 1 1 495 495 ARG CB C 495 30.014 30.014 29.784 0.230 25010 645 1 2 . 1 1 495 495 ARG H H 495 8.580 8.580 8.674 -0.094 25010 646 1 2 . 1 1 496 496 GLU N N 496 120.070 120.070 116.957 3.113 25010 647 1 2 . 1 1 496 496 GLU HA H 496 4.341 4.341 4.489 -0.148 25010 648 1 2 . 1 1 496 496 GLU CA C 496 57.093 57.093 55.237 1.856 25010 649 1 2 . 1 1 496 496 GLU CB C 496 29.927 29.927 28.678 1.249 25010 650 1 2 . 1 1 496 496 GLU H H 496 8.304 8.304 8.026 0.278 25010 651 1 2 . 1 1 497 497 GLU N N 497 120.611 120.611 120.460 0.151 25010 652 1 2 . 1 1 497 497 GLU HA H 497 4.390 4.390 4.429 -0.039 25010 653 1 2 . 1 1 497 497 GLU CA C 497 56.781 56.781 56.404 0.377 25010 654 1 2 . 1 1 497 497 GLU CB C 497 29.722 29.722 30.532 -0.810 25010 655 1 2 . 1 1 497 497 GLU H H 497 8.181 8.181 7.653 0.528 25010 656 1 2 . 1 1 498 498 THR N N 498 113.761 113.761 114.736 -0.975 25010 657 1 2 . 1 1 498 498 THR HA H 498 4.519 4.519 4.178 0.341 25010 658 1 2 . 1 1 498 498 THR CA C 498 61.768 61.768 62.307 -0.539 25010 659 1 2 . 1 1 498 498 THR CB C 498 69.893 69.893 69.468 0.425 25010 660 1 2 . 1 1 498 498 THR H H 498 8.077 8.077 8.330 -0.253 25010 661 1 2 . 1 1 499 499 PHE N N 499 119.315 119.315 120.500 -1.185 25010 662 1 2 . 1 1 499 499 PHE HA H 499 4.571 4.571 4.536 0.035 25010 663 1 2 . 1 1 499 499 PHE CA C 499 58.469 58.469 57.296 1.173 25010 664 1 2 . 1 1 499 499 PHE CB C 499 38.648 38.648 38.060 0.588 25010 665 1 2 . 1 1 499 499 PHE H H 499 8.089 8.089 7.919 0.170 25010 666 1 2 . 1 1 500 500 LYS N N 500 120.851 120.851 121.483 -0.632 25010 667 1 2 . 1 1 500 500 LYS HA H 500 4.146 4.146 4.195 -0.049 25010 668 1 2 . 1 1 500 500 LYS CA C 500 57.814 57.814 58.647 -0.833 25010 669 1 2 . 1 1 500 500 LYS CB C 500 33.603 33.603 33.105 0.498 25010 670 1 2 . 1 1 500 500 LYS H H 500 8.100 8.100 7.733 0.367 25010 671 1 2 . 1 1 501 501 TYR N N 501 114.551 114.551 114.364 0.187 25010 672 1 2 . 1 1 501 501 TYR HA H 501 4.782 4.782 5.616 -0.834 25010 673 1 2 . 1 1 501 501 TYR CA C 501 55.002 55.002 54.914 0.087 25010 674 1 2 . 1 1 501 501 TYR CB C 501 41.643 41.643 40.767 0.876 25010 675 1 2 . 1 1 501 501 TYR H H 501 7.259 7.259 7.603 -0.344 25010 676 1 2 . 1 1 502 502 TRP N N 502 119.304 119.304 123.835 -4.531 25010 677 1 2 . 1 1 502 502 TRP HA H 502 5.351 5.351 5.075 0.276 25010 678 1 2 . 1 1 502 502 TRP CA C 502 55.377 55.377 54.979 0.398 25010 679 1 2 . 1 1 502 502 TRP CB C 502 30.599 30.599 31.628 -1.029 25010 680 1 2 . 1 1 502 502 TRP H H 502 8.399 8.399 8.549 -0.150 25010 681 1 2 . 1 1 503 503 PHE N N 503 119.216 119.216 116.531 2.685 25010 682 1 2 . 1 1 503 503 PHE HA H 503 5.382 5.382 5.578 -0.196 25010 683 1 2 . 1 1 503 503 PHE CA C 503 54.961 54.961 55.400 -0.439 25010 684 1 2 . 1 1 503 503 PHE CB C 503 41.607 41.607 42.032 -0.425 25010 685 1 2 . 1 1 503 503 PHE H H 503 8.840 8.840 8.095 0.745 25010 686 1 2 . 1 1 504 504 LYS N N 504 120.145 120.145 121.503 -1.358 25010 687 1 2 . 1 1 504 504 LYS HA H 504 4.887 4.887 4.706 0.181 25010 688 1 2 . 1 1 504 504 LYS CA C 504 55.586 55.586 55.160 0.426 25010 689 1 2 . 1 1 504 504 LYS CB C 504 36.415 36.415 35.404 1.011 25010 690 1 2 . 1 1 504 504 LYS H H 504 8.870 8.870 8.904 -0.034 25010 691 1 2 . 1 1 505 505 LYS N N 505 126.170 126.170 126.719 -0.549 25010 692 1 2 . 1 1 505 505 LYS HA H 505 4.901 4.901 4.844 0.057 25010 693 1 2 . 1 1 505 505 LYS CA C 505 55.352 55.352 55.320 0.032 25010 694 1 2 . 1 1 505 505 LYS CB C 505 34.907 34.907 33.501 1.406 25010 695 1 2 . 1 1 505 505 LYS H H 505 8.838 8.838 8.798 0.040 25010 696 1 2 . 1 1 506 506 ASP N N 506 125.883 125.883 129.157 -3.274 25010 697 1 2 . 1 1 506 506 ASP HA H 506 4.839 4.839 4.873 -0.034 25010 698 1 2 . 1 1 506 506 ASP CA C 506 52.564 52.564 53.473 -0.909 25010 699 1 2 . 1 1 506 506 ASP CB C 506 41.961 41.961 41.217 0.744 25010 700 1 2 . 1 1 506 506 ASP H H 506 8.947 8.947 8.213 0.734 25010 701 1 2 . 1 1 507 507 GLY N N 507 114.432 114.432 113.474 0.958 25010 702 1 2 . 1 1 507 507 GLY CA C 507 47.615 47.615 47.143 0.472 25010 703 1 2 . 1 1 507 507 GLY H H 507 9.004 9.004 8.559 0.445 25010 704 1 2 . 1 1 508 508 GLN N N 508 128.557 128.557 122.635 5.922 25010 705 1 2 . 1 1 508 508 GLN HA H 508 4.119 4.119 4.342 -0.223 25010 706 1 2 . 1 1 508 508 GLN CA C 508 57.237 57.237 55.849 1.388 25010 707 1 2 . 1 1 508 508 GLN CB C 508 29.867 29.867 30.143 -0.276 25010 708 1 2 . 1 1 508 508 GLN H H 508 9.448 9.448 8.124 1.324 25010 709 1 2 . 1 1 509 509 ARG N N 509 120.332 120.332 120.045 0.287 25010 710 1 2 . 1 1 509 509 ARG HA H 509 4.986 4.986 4.501 0.485 25010 711 1 2 . 1 1 509 509 ARG CA C 509 56.146 56.146 55.694 0.452 25010 712 1 2 . 1 1 509 509 ARG CB C 509 32.012 32.012 32.436 -0.424 25010 713 1 2 . 1 1 509 509 ARG H H 509 8.215 8.215 7.904 0.311 25010 714 1 2 . 1 1 510 510 HIS N N 510 122.773 122.773 122.089 0.684 25010 715 1 2 . 1 1 510 510 HIS HA H 510 5.136 5.136 5.721 -0.585 25010 716 1 2 . 1 1 510 510 HIS CA C 510 56.449 56.449 54.954 1.495 25010 717 1 2 . 1 1 510 510 HIS CB C 510 35.290 35.290 32.201 3.089 25010 718 1 2 . 1 1 510 510 HIS H H 510 8.786 8.786 8.588 0.198 25010 719 1 2 . 1 1 511 511 HIS N N 511 119.128 119.128 123.691 -4.563 25010 720 1 2 . 1 1 511 511 HIS HA H 511 6.075 6.075 5.584 0.491 25010 721 1 2 . 1 1 511 511 HIS CA C 511 53.818 53.818 54.559 -0.741 25010 722 1 2 . 1 1 511 511 HIS CB C 511 33.422 33.422 33.156 0.266 25010 723 1 2 . 1 1 511 511 HIS H H 511 9.269 9.269 9.043 0.226 25010 724 1 2 . 1 1 512 512 LEU N N 512 125.504 125.504 127.358 -1.854 25010 725 1 2 . 1 1 512 512 LEU HA H 512 4.384 4.384 4.867 -0.483 25010 726 1 2 . 1 1 512 512 LEU CA C 512 54.196 54.196 53.937 0.259 25010 727 1 2 . 1 1 512 512 LEU CB C 512 42.275 42.275 43.987 -1.712 25010 728 1 2 . 1 1 512 512 LEU H H 512 8.345 8.345 8.386 -0.041 25010 729 1 2 . 1 1 513 513 ILE N N 513 127.867 127.867 128.105 -0.238 25010 730 1 2 . 1 1 513 513 ILE HA H 513 4.907 4.907 4.584 0.323 25010 731 1 2 . 1 1 513 513 ILE CA C 513 59.524 59.524 60.041 -0.517 25010 732 1 2 . 1 1 513 513 ILE CB C 513 40.044 40.044 38.714 1.330 25010 733 1 2 . 1 1 513 513 ILE H H 513 8.776 8.776 8.998 -0.222 25010 734 1 2 . 1 1 514 514 ILE N N 514 125.882 125.882 129.010 -3.128 25010 735 1 2 . 1 1 514 514 ILE HA H 514 4.354 4.354 4.336 0.018 25010 736 1 2 . 1 1 514 514 ILE CA C 514 60.058 60.058 61.723 -1.665 25010 737 1 2 . 1 1 514 514 ILE CB C 514 39.802 39.802 37.674 2.128 25010 738 1 2 . 1 1 514 514 ILE H H 514 8.777 8.777 8.431 0.346 25010 739 1 2 . 1 1 515 515 ASN N N 515 124.270 124.270 126.613 -2.343 25010 740 1 2 . 1 1 515 515 ASN HA H 515 4.277 4.277 4.635 -0.358 25010 741 1 2 . 1 1 515 515 ASN CA C 515 57.166 57.166 56.308 0.858 25010 742 1 2 . 1 1 515 515 ASN CB C 515 38.944 38.944 39.255 -0.311 25010 743 1 2 . 1 1 515 515 ASN H H 515 8.068 8.068 8.853 -0.785 25010 744 1 2 . 1 1 516 516 GLU N N 516 117.624 117.624 117.968 -0.344 25010 745 1 2 . 1 1 516 516 GLU HA H 516 3.841 3.841 4.645 -0.804 25010 746 1 2 . 1 1 516 516 GLU CA C 516 55.032 55.032 55.381 -0.349 25010 747 1 2 . 1 1 516 516 GLU CB C 516 31.030 31.030 32.062 -1.032 25010 748 1 2 . 1 1 516 516 GLU H H 516 8.320 8.320 7.727 0.593 25010 749 1 2 . 1 1 517 517 ALA N N 517 125.884 125.884 129.282 -3.398 25010 750 1 2 . 1 1 517 517 ALA HA H 517 4.186 4.186 4.314 -0.128 25010 751 1 2 . 1 1 517 517 ALA CA C 517 53.726 53.726 52.905 0.821 25010 752 1 2 . 1 1 517 517 ALA CB C 517 18.902 18.902 20.162 -1.260 25010 753 1 2 . 1 1 517 517 ALA H H 517 8.735 8.735 9.002 -0.267 25010 754 1 2 . 1 1 518 518 MET N N 518 123.090 123.090 120.829 2.261 25010 755 1 2 . 1 1 518 518 MET HA H 518 4.888 4.888 4.741 0.147 25010 756 1 2 . 1 1 518 518 MET CA C 518 53.006 53.006 53.907 -0.901 25010 757 1 2 . 1 1 518 518 MET CB C 518 36.535 36.535 36.028 0.507 25010 758 1 2 . 1 1 518 518 MET H H 518 9.831 9.831 9.669 0.162 25010 759 1 2 . 1 1 519 519 LEU N N 519 123.171 123.171 122.990 0.181 25010 760 1 2 . 1 1 519 519 LEU HA H 519 3.846 3.846 4.100 -0.254 25010 761 1 2 . 1 1 519 519 LEU CA C 519 59.407 59.407 58.082 1.325 25010 762 1 2 . 1 1 519 519 LEU CB C 519 40.967 40.967 40.263 0.704 25010 763 1 2 . 1 1 519 519 LEU H H 519 9.108 9.108 8.703 0.405 25010 764 1 2 . 1 1 520 520 GLU N N 520 115.409 115.409 119.039 -3.630 25010 765 1 2 . 1 1 520 520 GLU HA H 520 4.257 4.257 4.042 0.215 25010 766 1 2 . 1 1 520 520 GLU CA C 520 58.537 58.537 59.183 -0.646 25010 767 1 2 . 1 1 520 520 GLU CB C 520 28.123 28.123 29.169 -1.046 25010 768 1 2 . 1 1 520 520 GLU H H 520 9.118 9.118 8.779 0.339 25010 769 1 2 . 1 1 521 521 ASP N N 521 117.154 117.154 117.719 -0.565 25010 770 1 2 . 1 1 521 521 ASP HA H 521 4.692 4.692 4.526 0.166 25010 771 1 2 . 1 1 521 521 ASP CA C 521 56.134 56.134 55.376 0.758 25010 772 1 2 . 1 1 521 521 ASP CB C 521 41.053 41.053 40.784 0.269 25010 773 1 2 . 1 1 521 521 ASP H H 521 8.114 8.114 8.160 -0.046 25010 774 1 2 . 1 1 522 522 ALA N N 522 123.368 123.368 121.222 2.146 25010 775 1 2 . 1 1 522 522 ALA HA H 522 4.159 4.159 4.680 -0.521 25010 776 1 2 . 1 1 522 522 ALA CA C 522 53.689 53.689 52.543 1.146 25010 777 1 2 . 1 1 522 522 ALA CB C 522 19.915 19.915 19.062 0.853 25010 778 1 2 . 1 1 522 522 ALA H H 522 7.572 7.572 7.208 0.364 25010 779 1 2 . 1 1 523 523 GLY N N 523 107.946 107.946 106.141 1.805 25010 780 1 2 . 1 1 523 523 GLY CA C 523 45.093 45.093 43.955 1.138 25010 781 1 2 . 1 1 523 523 GLY H H 523 8.509 8.509 7.220 1.289 25010 782 1 2 . 1 1 524 524 HIS N N 524 119.840 119.840 119.689 0.151 25010 783 1 2 . 1 1 524 524 HIS HA H 524 5.290 5.290 4.663 0.626 25010 784 1 2 . 1 1 524 524 HIS CA C 524 56.034 56.034 56.777 -0.743 25010 785 1 2 . 1 1 524 524 HIS CB C 524 30.145 30.145 28.815 1.330 25010 786 1 2 . 1 1 524 524 HIS H H 524 9.142 9.142 9.255 -0.113 25010 787 1 2 . 1 1 525 525 TYR N N 525 127.518 127.518 127.089 0.429 25010 788 1 2 . 1 1 525 525 TYR HA H 525 5.218 5.218 4.781 0.437 25010 789 1 2 . 1 1 525 525 TYR CA C 525 57.358 57.358 59.259 -1.901 25010 790 1 2 . 1 1 525 525 TYR CB C 525 40.926 40.926 38.532 2.394 25010 791 1 2 . 1 1 525 525 TYR H H 525 9.590 9.590 8.354 1.236 25010 792 1 2 . 1 1 526 526 ALA N N 526 121.840 121.840 127.109 -5.269 25010 793 1 2 . 1 1 526 526 ALA HA H 526 5.608 5.608 5.261 0.347 25010 794 1 2 . 1 1 526 526 ALA CA C 526 49.627 49.627 49.855 -0.228 25010 795 1 2 . 1 1 526 526 ALA CB C 526 24.176 24.176 22.514 1.662 25010 796 1 2 . 1 1 526 526 ALA H H 526 9.116 9.116 9.421 -0.305 25010 797 1 2 . 1 1 527 527 LEU N N 527 121.819 121.819 124.343 -2.524 25010 798 1 2 . 1 1 527 527 LEU HA H 527 4.564 4.564 5.236 -0.672 25010 799 1 2 . 1 1 527 527 LEU CA C 527 53.112 53.112 52.787 0.325 25010 800 1 2 . 1 1 527 527 LEU CB C 527 42.995 42.995 44.989 -1.994 25010 801 1 2 . 1 1 527 527 LEU H H 527 8.177 8.177 8.982 -0.805 25010 802 1 2 . 1 1 528 528 CYS N N 528 122.918 122.918 128.154 -5.236 25010 803 1 2 . 1 1 528 528 CYS HA H 528 4.995 4.995 4.591 0.404 25010 804 1 2 . 1 1 528 528 CYS CA C 528 57.302 57.302 57.700 -0.398 25010 805 1 2 . 1 1 528 528 CYS CB C 528 29.928 29.928 27.238 2.690 25010 806 1 2 . 1 1 528 528 CYS H H 528 8.991 8.991 8.710 0.281 25010 807 1 2 . 1 1 529 529 THR N N 529 116.311 116.311 123.123 -6.812 25010 808 1 2 . 1 1 529 529 THR HA H 529 4.717 4.717 4.613 0.104 25010 809 1 2 . 1 1 529 529 THR CA C 529 59.605 59.605 61.172 -1.567 25010 810 1 2 . 1 1 529 529 THR CB C 529 71.228 71.228 70.224 1.004 25010 811 1 2 . 1 1 529 529 THR H H 529 8.688 8.688 8.516 0.172 25010 812 1 2 . 1 1 530 530 SER N N 530 115.043 115.043 116.138 -1.095 25010 813 1 2 . 1 1 530 530 SER HA H 530 4.284 4.284 4.245 0.039 25010 814 1 2 . 1 1 530 530 SER CA C 530 59.975 59.975 59.489 0.486 25010 815 1 2 . 1 1 530 530 SER CB C 530 62.698 62.698 63.133 -0.434 25010 816 1 2 . 1 1 530 530 SER H H 530 9.371 9.371 8.499 0.872 25010 817 1 2 . 1 1 531 531 GLY N N 531 108.631 108.631 107.635 0.996 25010 818 1 2 . 1 1 531 531 GLY CA C 531 45.295 45.295 45.000 0.295 25010 819 1 2 . 1 1 531 531 GLY H H 531 8.173 8.173 7.927 0.246 25010 820 1 2 . 1 1 532 532 GLY N N 532 109.029 109.029 108.483 0.546 25010 821 1 2 . 1 1 532 532 GLY CA C 532 45.389 45.389 44.179 1.210 25010 822 1 2 . 1 1 532 532 GLY H H 532 7.540 7.540 8.196 -0.656 25010 823 1 2 . 1 1 533 533 GLN N N 533 116.724 116.724 116.188 0.536 25010 824 1 2 . 1 1 533 533 GLN HA H 533 5.357 5.357 5.071 0.286 25010 825 1 2 . 1 1 533 533 GLN CA C 533 54.682 54.682 54.424 0.258 25010 826 1 2 . 1 1 533 533 GLN CB C 533 32.353 32.353 32.174 0.179 25010 827 1 2 . 1 1 533 533 GLN H H 533 8.309 8.309 8.237 0.072 25010 828 1 2 . 1 1 534 534 ALA N N 534 126.868 126.868 126.898 -0.030 25010 829 1 2 . 1 1 534 534 ALA HA H 534 4.870 4.870 4.819 0.051 25010 830 1 2 . 1 1 534 534 ALA CA C 534 50.764 50.764 50.618 0.146 25010 831 1 2 . 1 1 534 534 ALA CB C 534 22.046 22.046 21.539 0.507 25010 832 1 2 . 1 1 534 534 ALA H H 534 8.876 8.876 9.036 -0.160 25010 833 1 2 . 1 1 535 535 LEU N N 535 122.735 122.735 123.165 -0.430 25010 834 1 2 . 1 1 535 535 LEU HA H 535 5.401 5.401 5.215 0.186 25010 835 1 2 . 1 1 535 535 LEU CA C 535 54.530 54.530 54.992 -0.462 25010 836 1 2 . 1 1 535 535 LEU CB C 535 46.423 46.423 45.551 0.872 25010 837 1 2 . 1 1 535 535 LEU H H 535 8.445 8.445 8.357 0.088 25010 838 1 2 . 1 1 536 536 ALA N N 536 125.503 125.503 129.465 -3.962 25010 839 1 2 . 1 1 536 536 ALA HA H 536 4.758 4.758 4.939 -0.181 25010 840 1 2 . 1 1 536 536 ALA CA C 536 51.975 51.975 51.584 0.391 25010 841 1 2 . 1 1 536 536 ALA CB C 536 24.534 24.534 22.453 2.081 25010 842 1 2 . 1 1 536 536 ALA H H 536 9.375 9.375 8.966 0.408 25010 843 1 2 . 1 1 537 537 GLU N N 537 121.939 121.939 120.505 1.434 25010 844 1 2 . 1 1 537 537 GLU HA H 537 4.942 4.942 4.272 0.670 25010 845 1 2 . 1 1 537 537 GLU CA C 537 55.059 55.059 54.868 0.191 25010 846 1 2 . 1 1 537 537 GLU CB C 537 31.991 31.991 30.399 1.592 25010 847 1 2 . 1 1 537 537 GLU H H 537 9.320 9.320 8.362 0.958 25010 848 1 2 . 1 1 538 538 LEU N N 538 125.030 125.030 127.951 -2.921 25010 849 1 2 . 1 1 538 538 LEU HA H 538 5.372 5.372 4.722 0.650 25010 850 1 2 . 1 1 538 538 LEU CA C 538 53.663 53.663 54.061 -0.398 25010 851 1 2 . 1 1 538 538 LEU CB C 538 45.180 45.180 43.644 1.536 25010 852 1 2 . 1 1 538 538 LEU H H 538 9.306 9.306 7.956 1.350 25010 853 1 2 . 1 1 539 539 ILE N N 539 130.825 130.825 128.068 2.757 25010 854 1 2 . 1 1 539 539 ILE HA H 539 4.304 4.304 4.141 0.163 25010 855 1 2 . 1 1 539 539 ILE CA C 539 61.221 61.221 61.180 0.041 25010 856 1 2 . 1 1 539 539 ILE CB C 539 39.938 39.938 38.508 1.430 25010 857 1 2 . 1 1 539 539 ILE H H 539 8.908 8.908 8.514 0.394 25010 858 1 2 . 1 1 540 540 VAL N N 540 125.447 125.447 127.505 -2.058 25010 859 1 2 . 1 1 540 540 VAL HA H 540 4.806 4.806 4.782 0.024 25010 860 1 2 . 1 1 540 540 VAL CA C 540 60.340 60.340 61.018 -0.678 25010 861 1 2 . 1 1 540 540 VAL CB C 540 33.794 33.794 32.377 1.417 25010 862 1 2 . 1 1 540 540 VAL H H 540 7.890 7.890 8.577 -0.687 25010 863 1 2 . 1 1 541 541 GLN N N 541 126.060 126.060 126.361 -0.301 25010 864 1 2 . 1 1 541 541 GLN HA H 541 4.652 4.652 4.744 -0.092 25010 865 1 2 . 1 1 541 541 GLN CA C 541 54.441 54.441 53.004 1.437 25010 866 1 2 . 1 1 541 541 GLN CB C 541 30.994 30.994 31.638 -0.644 25010 867 1 2 . 1 1 541 541 GLN H H 541 9.089 9.089 8.109 0.980 25010 868 1 2 . 1 1 542 542 GLU N N 542 122.213 122.213 121.510 0.703 25010 869 1 2 . 1 1 542 542 GLU HA H 542 4.340 4.340 4.292 0.048 25010 870 1 2 . 1 1 542 542 GLU CA C 542 57.168 57.168 56.050 1.117 25010 871 1 2 . 1 1 542 542 GLU CB C 542 32.061 32.061 30.058 2.003 25010 872 1 2 . 1 1 542 542 GLU H H 542 8.763 8.763 8.592 0.171 25010 873 1 3 . 1 1 451 451 HIS HA H 451 4.666 4.666 4.573 0.093 25010 874 1 3 . 1 1 451 451 HIS CA C 451 56.039 56.039 56.205 -0.166 25010 875 1 3 . 1 1 451 451 HIS CB C 451 30.388 30.388 29.317 1.071 25010 876 1 3 . 1 1 452 452 MET N N 452 123.092 123.092 125.619 -2.527 25010 877 1 3 . 1 1 452 452 MET CB C 452 32.012 32.012 34.482 -2.470 25010 878 1 3 . 1 1 452 452 MET H H 452 8.328 8.328 8.411 -0.083 25010 879 1 3 . 1 1 453 453 PRO HA H 453 4.316 4.316 4.629 -0.313 25010 880 1 3 . 1 1 453 453 PRO CA C 453 62.807 62.807 61.932 0.875 25010 881 1 3 . 1 1 453 453 PRO CB C 453 32.230 32.230 32.688 -0.458 25010 882 1 3 . 1 1 454 454 VAL N N 454 122.113 122.113 120.243 1.870 25010 883 1 3 . 1 1 454 454 VAL HA H 454 3.762 3.762 3.902 -0.140 25010 884 1 3 . 1 1 454 454 VAL CA C 454 63.093 63.093 62.981 0.112 25010 885 1 3 . 1 1 454 454 VAL CB C 454 32.192 32.192 31.421 0.771 25010 886 1 3 . 1 1 454 454 VAL H H 454 7.806 7.806 8.217 -0.411 25010 887 1 3 . 1 1 455 455 LEU N N 455 129.322 129.322 128.800 0.522 25010 888 1 3 . 1 1 455 455 LEU HA H 455 4.459 4.459 4.545 -0.086 25010 889 1 3 . 1 1 455 455 LEU CA C 455 53.133 53.133 54.127 -0.994 25010 890 1 3 . 1 1 455 455 LEU CB C 455 43.699 43.699 43.184 0.514 25010 891 1 3 . 1 1 455 455 LEU H H 455 8.586 8.586 8.518 0.068 25010 892 1 3 . 1 1 456 456 ILE N N 456 120.924 120.924 121.474 -0.550 25010 893 1 3 . 1 1 456 456 ILE HA H 456 4.259 4.259 4.475 -0.216 25010 894 1 3 . 1 1 456 456 ILE CA C 456 60.937 60.937 59.562 1.375 25010 895 1 3 . 1 1 456 456 ILE CB C 456 36.860 36.860 37.364 -0.504 25010 896 1 3 . 1 1 456 456 ILE H H 456 8.519 8.519 8.334 0.185 25010 897 1 3 . 1 1 457 457 THR N N 457 120.896 120.896 120.677 0.219 25010 898 1 3 . 1 1 457 457 THR HA H 457 4.297 4.297 4.360 -0.063 25010 899 1 3 . 1 1 457 457 THR CA C 457 62.783 62.783 62.159 0.624 25010 900 1 3 . 1 1 457 457 THR CB C 457 67.927 67.927 69.810 -1.883 25010 901 1 3 . 1 1 457 457 THR H H 457 8.671 8.671 8.598 0.073 25010 902 1 3 . 1 1 458 458 ARG N N 458 122.706 122.706 122.995 -0.289 25010 903 1 3 . 1 1 458 458 ARG HA H 458 4.931 4.931 4.906 0.025 25010 904 1 3 . 1 1 458 458 ARG CA C 458 53.816 53.816 52.715 1.101 25010 905 1 3 . 1 1 458 458 ARG CB C 458 32.443 32.443 31.999 0.444 25010 906 1 3 . 1 1 458 458 ARG H H 458 7.576 7.576 7.655 -0.079 25010 907 1 3 . 1 1 459 459 PRO HA H 459 4.315 4.315 4.454 -0.139 25010 908 1 3 . 1 1 459 459 PRO CA C 459 62.763 62.763 62.528 0.235 25010 909 1 3 . 1 1 459 459 PRO CB C 459 32.644 32.644 32.684 -0.041 25010 910 1 3 . 1 1 460 460 LEU N N 460 115.406 115.406 119.673 -4.267 25010 911 1 3 . 1 1 460 460 LEU HA H 460 4.575 4.575 4.508 0.067 25010 912 1 3 . 1 1 460 460 LEU CA C 460 55.114 55.114 53.800 1.314 25010 913 1 3 . 1 1 460 460 LEU CB C 460 45.383 45.383 42.910 2.473 25010 914 1 3 . 1 1 460 460 LEU H H 460 6.134 6.134 8.223 -2.089 25010 915 1 3 . 1 1 461 461 GLU N N 461 120.629 120.629 120.543 0.086 25010 916 1 3 . 1 1 461 461 GLU HA H 461 4.826 4.826 4.258 0.568 25010 917 1 3 . 1 1 461 461 GLU CA C 461 54.846 54.846 57.016 -2.170 25010 918 1 3 . 1 1 461 461 GLU CB C 461 32.513 32.513 29.595 2.918 25010 919 1 3 . 1 1 461 461 GLU H H 461 8.409 8.409 8.733 -0.324 25010 920 1 3 . 1 1 462 462 ASP N N 462 122.487 122.487 122.448 0.039 25010 921 1 3 . 1 1 462 462 ASP HA H 462 5.043 5.043 4.519 0.524 25010 922 1 3 . 1 1 462 462 ASP CA C 462 55.551 55.551 54.573 0.978 25010 923 1 3 . 1 1 462 462 ASP CB C 462 41.180 41.180 41.455 -0.275 25010 924 1 3 . 1 1 462 462 ASP H H 462 8.603 8.603 8.587 0.016 25010 925 1 3 . 1 1 463 463 GLN N N 463 117.119 117.119 119.528 -2.409 25010 926 1 3 . 1 1 463 463 GLN HA H 463 4.687 4.687 4.345 0.342 25010 927 1 3 . 1 1 463 463 GLN CA C 463 54.383 54.383 55.195 -0.812 25010 928 1 3 . 1 1 463 463 GLN CB C 463 33.212 33.212 29.727 3.485 25010 929 1 3 . 1 1 463 463 GLN H H 463 8.785 8.785 7.735 1.050 25010 930 1 3 . 1 1 464 464 LEU N N 464 127.523 127.523 124.069 3.454 25010 931 1 3 . 1 1 464 464 LEU HA H 464 5.337 5.337 4.831 0.506 25010 932 1 3 . 1 1 464 464 LEU CA C 464 54.511 54.511 54.671 -0.160 25010 933 1 3 . 1 1 464 464 LEU CB C 464 44.048 44.048 43.238 0.810 25010 934 1 3 . 1 1 464 464 LEU H H 464 8.420 8.420 8.356 0.064 25010 935 1 3 . 1 1 465 465 VAL N N 465 119.244 119.244 121.279 -2.035 25010 936 1 3 . 1 1 465 465 VAL HA H 465 4.796 4.796 4.620 0.176 25010 937 1 3 . 1 1 465 465 VAL CA C 465 58.546 58.546 59.706 -1.160 25010 938 1 3 . 1 1 465 465 VAL CB C 465 36.136 36.136 35.719 0.417 25010 939 1 3 . 1 1 465 465 VAL H H 465 8.730 8.730 8.924 -0.194 25010 940 1 3 . 1 1 466 466 MET N N 466 119.234 119.234 116.993 2.241 25010 941 1 3 . 1 1 466 466 MET HA H 466 5.269 5.269 5.526 -0.257 25010 942 1 3 . 1 1 466 466 MET CA C 466 52.842 52.842 53.941 -1.099 25010 943 1 3 . 1 1 466 466 MET CB C 466 33.563 33.563 35.373 -1.810 25010 944 1 3 . 1 1 466 466 MET H H 466 8.099 8.099 8.138 -0.039 25010 945 1 3 . 1 1 467 467 VAL N N 467 119.519 119.519 121.158 -1.639 25010 946 1 3 . 1 1 467 467 VAL HA H 467 3.457 3.457 3.582 -0.125 25010 947 1 3 . 1 1 467 467 VAL CA C 467 64.434 64.434 64.136 0.298 25010 948 1 3 . 1 1 467 467 VAL CB C 467 32.220 32.220 31.826 0.394 25010 949 1 3 . 1 1 467 467 VAL H H 467 7.917 7.917 8.366 -0.449 25010 950 1 3 . 1 1 468 468 GLY N N 468 115.365 115.365 114.545 0.820 25010 951 1 3 . 1 1 468 468 GLY CA C 468 44.814 44.814 44.610 0.204 25010 952 1 3 . 1 1 468 468 GLY H H 468 9.845 9.845 8.939 0.906 25010 953 1 3 . 1 1 469 469 GLN N N 469 120.329 120.329 118.855 1.474 25010 954 1 3 . 1 1 469 469 GLN HA H 469 4.433 4.433 4.556 -0.123 25010 955 1 3 . 1 1 469 469 GLN CA C 469 55.841 55.841 53.939 1.902 25010 956 1 3 . 1 1 469 469 GLN CB C 469 30.198 30.198 31.395 -1.198 25010 957 1 3 . 1 1 469 469 GLN H H 469 7.984 7.984 7.364 0.620 25010 958 1 3 . 1 1 470 470 ARG N N 470 122.940 122.940 123.120 -0.180 25010 959 1 3 . 1 1 470 470 ARG HA H 470 4.603 4.603 5.081 -0.478 25010 960 1 3 . 1 1 470 470 ARG CA C 470 55.873 55.873 56.291 -0.418 25010 961 1 3 . 1 1 470 470 ARG CB C 470 31.614 31.614 30.860 0.754 25010 962 1 3 . 1 1 470 470 ARG H H 470 8.138 8.138 8.510 -0.372 25010 963 1 3 . 1 1 471 471 VAL N N 471 127.100 127.100 126.736 0.364 25010 964 1 3 . 1 1 471 471 VAL HA H 471 4.135 4.135 4.182 -0.047 25010 965 1 3 . 1 1 471 471 VAL CA C 471 60.424 60.424 61.426 -1.002 25010 966 1 3 . 1 1 471 471 VAL CB C 471 34.725 34.725 35.404 -0.679 25010 967 1 3 . 1 1 471 471 VAL H H 471 8.869 8.869 8.816 0.053 25010 968 1 3 . 1 1 472 472 GLU N N 472 126.220 126.220 125.843 0.377 25010 969 1 3 . 1 1 472 472 GLU HA H 472 5.096 5.096 4.683 0.413 25010 970 1 3 . 1 1 472 472 GLU CA C 472 54.644 54.644 54.916 -0.272 25010 971 1 3 . 1 1 472 472 GLU CB C 472 32.890 32.890 31.918 0.972 25010 972 1 3 . 1 1 472 472 GLU H H 472 8.601 8.601 8.389 0.212 25010 973 1 3 . 1 1 473 473 PHE N N 473 125.641 125.641 123.783 1.858 25010 974 1 3 . 1 1 473 473 PHE HA H 473 4.747 4.747 4.677 0.070 25010 975 1 3 . 1 1 473 473 PHE CA C 473 57.513 57.513 56.467 1.046 25010 976 1 3 . 1 1 473 473 PHE CB C 473 41.975 41.975 39.972 2.003 25010 977 1 3 . 1 1 473 473 PHE H H 473 9.275 9.275 8.959 0.316 25010 978 1 3 . 1 1 474 474 GLU N N 474 120.663 120.663 125.246 -4.583 25010 979 1 3 . 1 1 474 474 GLU HA H 474 5.369 5.369 4.538 0.831 25010 980 1 3 . 1 1 474 474 GLU CA C 474 54.976 54.976 55.724 -0.748 25010 981 1 3 . 1 1 474 474 GLU CB C 474 32.849 32.849 30.821 2.028 25010 982 1 3 . 1 1 474 474 GLU H H 474 8.452 8.452 8.843 -0.391 25010 983 1 3 . 1 1 475 475 CYS N N 475 121.477 121.477 124.090 -2.613 25010 984 1 3 . 1 1 475 475 CYS HA H 475 4.818 4.818 5.036 -0.218 25010 985 1 3 . 1 1 475 475 CYS CA C 475 56.706 56.706 57.133 -0.427 25010 986 1 3 . 1 1 475 475 CYS CB C 475 30.937 30.937 30.703 0.234 25010 987 1 3 . 1 1 475 475 CYS H H 475 9.015 9.015 9.120 -0.105 25010 988 1 3 . 1 1 476 476 GLU N N 476 123.383 123.383 127.525 -4.142 25010 989 1 3 . 1 1 476 476 GLU HA H 476 5.522 5.522 4.783 0.739 25010 990 1 3 . 1 1 476 476 GLU CA C 476 55.076 55.076 54.131 0.945 25010 991 1 3 . 1 1 476 476 GLU CB C 476 33.796 33.796 33.228 0.568 25010 992 1 3 . 1 1 476 476 GLU H H 476 8.574 8.574 8.514 0.060 25010 993 1 3 . 1 1 477 477 VAL N N 477 116.481 116.481 117.021 -0.540 25010 994 1 3 . 1 1 477 477 VAL HA H 477 5.430 5.430 4.987 0.443 25010 995 1 3 . 1 1 477 477 VAL CA C 477 58.827 58.827 59.183 -0.356 25010 996 1 3 . 1 1 477 477 VAL CB C 477 34.087 34.087 34.446 -0.358 25010 997 1 3 . 1 1 477 477 VAL H H 477 8.739 8.739 8.201 0.538 25010 998 1 3 . 1 1 478 478 SER N N 478 111.234 111.234 115.749 -4.515 25010 999 1 3 . 1 1 478 478 SER HA H 478 4.072 4.072 4.370 -0.298 25010 1000 1 3 . 1 1 478 478 SER CA C 478 60.984 60.984 59.586 1.398 25010 1001 1 3 . 1 1 478 478 SER CB C 478 63.568 63.568 63.717 -0.149 25010 1002 1 3 . 1 1 478 478 SER H H 478 8.779 8.779 8.196 0.583 25010 1003 1 3 . 1 1 479 479 GLU N N 479 116.983 116.983 120.946 -3.963 25010 1004 1 3 . 1 1 479 479 GLU HA H 479 4.872 4.872 4.498 0.374 25010 1005 1 3 . 1 1 479 479 GLU CA C 479 54.615 54.615 55.334 -0.719 25010 1006 1 3 . 1 1 479 479 GLU CB C 479 33.654 33.654 31.944 1.710 25010 1007 1 3 . 1 1 479 479 GLU H H 479 6.800 6.800 7.953 -1.153 25010 1008 1 3 . 1 1 480 480 GLU N N 480 124.422 124.422 125.893 -1.471 25010 1009 1 3 . 1 1 480 480 GLU HA H 480 4.405 4.405 4.383 0.022 25010 1010 1 3 . 1 1 480 480 GLU CA C 480 57.861 57.861 56.457 1.404 25010 1011 1 3 . 1 1 480 480 GLU CB C 480 29.787 29.787 29.593 0.195 25010 1012 1 3 . 1 1 480 480 GLU H H 480 9.243 9.243 8.727 0.516 25010 1013 1 3 . 1 1 481 481 GLY CA C 481 45.916 45.916 44.752 1.164 25010 1014 1 3 . 1 1 482 482 ALA N N 482 121.277 121.277 123.220 -1.943 25010 1015 1 3 . 1 1 482 482 ALA HA H 482 4.513 4.513 4.364 0.149 25010 1016 1 3 . 1 1 482 482 ALA CA C 482 52.243 52.243 52.012 0.231 25010 1017 1 3 . 1 1 482 482 ALA CB C 482 20.653 20.653 19.445 1.208 25010 1018 1 3 . 1 1 482 482 ALA H H 482 7.449 7.449 7.551 -0.102 25010 1019 1 3 . 1 1 483 483 GLN N N 483 121.318 121.318 124.800 -3.482 25010 1020 1 3 . 1 1 483 483 GLN HA H 483 4.481 4.481 4.324 0.157 25010 1021 1 3 . 1 1 483 483 GLN CA C 483 55.471 55.471 55.639 -0.168 25010 1022 1 3 . 1 1 483 483 GLN CB C 483 28.077 28.077 30.075 -1.998 25010 1023 1 3 . 1 1 483 483 GLN H H 483 8.541 8.541 8.649 -0.108 25010 1024 1 3 . 1 1 484 484 VAL N N 484 118.395 118.395 117.495 0.900 25010 1025 1 3 . 1 1 484 484 VAL HA H 484 4.919 4.919 4.564 0.355 25010 1026 1 3 . 1 1 484 484 VAL CA C 484 58.491 58.491 59.249 -0.758 25010 1027 1 3 . 1 1 484 484 VAL CB C 484 34.518 34.518 34.198 0.320 25010 1028 1 3 . 1 1 484 484 VAL H H 484 8.283 8.283 7.906 0.377 25010 1029 1 3 . 1 1 485 485 LYS N N 485 119.957 119.957 123.325 -3.368 25010 1030 1 3 . 1 1 485 485 LYS HA H 485 4.594 4.594 4.602 -0.008 25010 1031 1 3 . 1 1 485 485 LYS CA C 485 55.038 55.038 54.703 0.334 25010 1032 1 3 . 1 1 485 485 LYS CB C 485 36.678 36.678 35.886 0.792 25010 1033 1 3 . 1 1 485 485 LYS H H 485 8.039 8.039 8.273 -0.234 25010 1034 1 3 . 1 1 486 486 TRP N N 486 123.677 123.677 125.499 -1.822 25010 1035 1 3 . 1 1 486 486 TRP HA H 486 5.608 5.608 4.710 0.898 25010 1036 1 3 . 1 1 486 486 TRP CA C 486 55.766 55.766 56.578 -0.812 25010 1037 1 3 . 1 1 486 486 TRP CB C 486 32.033 32.033 30.600 1.433 25010 1038 1 3 . 1 1 486 486 TRP H H 486 8.767 8.767 8.675 0.092 25010 1039 1 3 . 1 1 487 487 LEU N N 487 121.292 121.292 125.686 -4.394 25010 1040 1 3 . 1 1 487 487 LEU HA H 487 5.199 5.199 4.870 0.329 25010 1041 1 3 . 1 1 487 487 LEU CA C 487 53.645 53.645 53.795 -0.150 25010 1042 1 3 . 1 1 487 487 LEU CB C 487 46.241 46.241 45.726 0.515 25010 1043 1 3 . 1 1 487 487 LEU H H 487 9.599 9.599 9.389 0.210 25010 1044 1 3 . 1 1 488 488 LYS N N 488 119.097 119.097 128.059 -8.962 25010 1045 1 3 . 1 1 488 488 LYS HA H 488 4.448 4.448 4.415 0.033 25010 1046 1 3 . 1 1 488 488 LYS CA C 488 55.221 55.221 54.362 0.859 25010 1047 1 3 . 1 1 488 488 LYS CB C 488 35.636 35.636 32.761 2.875 25010 1048 1 3 . 1 1 488 488 LYS H H 488 8.702 8.702 8.999 -0.297 25010 1049 1 3 . 1 1 489 489 ASP N N 489 130.255 130.255 127.955 2.300 25010 1050 1 3 . 1 1 489 489 ASP HA H 489 4.377 4.377 4.256 0.121 25010 1051 1 3 . 1 1 489 489 ASP CA C 489 55.843 55.843 55.568 0.275 25010 1052 1 3 . 1 1 489 489 ASP CB C 489 40.211 40.211 40.154 0.057 25010 1053 1 3 . 1 1 489 489 ASP H H 489 9.895 9.895 9.039 0.856 25010 1054 1 3 . 1 1 490 490 GLY N N 490 101.682 101.682 103.111 -1.429 25010 1055 1 3 . 1 1 490 490 GLY CA C 490 45.394 45.394 45.037 0.357 25010 1056 1 3 . 1 1 490 490 GLY H H 490 8.673 8.673 8.473 0.200 25010 1057 1 3 . 1 1 491 491 VAL N N 491 123.371 123.371 123.170 0.201 25010 1058 1 3 . 1 1 491 491 VAL HA H 491 4.197 4.197 4.095 0.102 25010 1059 1 3 . 1 1 491 491 VAL CA C 491 61.597 61.597 61.921 -0.324 25010 1060 1 3 . 1 1 491 491 VAL CB C 491 33.598 33.598 32.768 0.830 25010 1061 1 3 . 1 1 491 491 VAL H H 491 7.954 7.954 7.907 0.047 25010 1062 1 3 . 1 1 492 492 GLU N N 492 127.934 127.934 127.335 0.599 25010 1063 1 3 . 1 1 492 492 GLU HA H 492 4.410 4.410 4.501 -0.091 25010 1064 1 3 . 1 1 492 492 GLU CA C 492 57.649 57.649 55.036 2.612 25010 1065 1 3 . 1 1 492 492 GLU CB C 492 29.242 29.242 30.379 -1.137 25010 1066 1 3 . 1 1 492 492 GLU H H 492 8.781 8.781 8.674 0.107 25010 1067 1 3 . 1 1 493 493 LEU N N 493 127.787 127.787 125.804 1.983 25010 1068 1 3 . 1 1 493 493 LEU HA H 493 4.591 4.591 4.686 -0.095 25010 1069 1 3 . 1 1 493 493 LEU CA C 493 54.628 54.628 54.915 -0.287 25010 1070 1 3 . 1 1 493 493 LEU CB C 493 41.823 41.823 41.857 -0.034 25010 1071 1 3 . 1 1 493 493 LEU H H 493 8.934 8.934 7.966 0.968 25010 1072 1 3 . 1 1 494 494 THR N N 494 114.564 114.564 115.496 -0.932 25010 1073 1 3 . 1 1 494 494 THR HA H 494 4.238 4.238 4.441 -0.203 25010 1074 1 3 . 1 1 494 494 THR CA C 494 61.209 61.209 61.421 -0.212 25010 1075 1 3 . 1 1 494 494 THR CB C 494 70.420 70.420 69.733 0.688 25010 1076 1 3 . 1 1 494 494 THR H H 494 8.338 8.338 8.307 0.031 25010 1077 1 3 . 1 1 495 495 ARG N N 495 121.286 121.286 121.052 0.234 25010 1078 1 3 . 1 1 495 495 ARG HA H 495 4.421 4.421 4.586 -0.165 25010 1079 1 3 . 1 1 495 495 ARG CA C 495 56.805 56.805 56.821 -0.016 25010 1080 1 3 . 1 1 495 495 ARG CB C 495 30.014 30.014 29.941 0.073 25010 1081 1 3 . 1 1 495 495 ARG H H 495 8.580 8.580 8.690 -0.110 25010 1082 1 3 . 1 1 496 496 GLU N N 496 120.070 120.070 118.540 1.530 25010 1083 1 3 . 1 1 496 496 GLU HA H 496 4.341 4.341 4.384 -0.043 25010 1084 1 3 . 1 1 496 496 GLU CA C 496 57.093 57.093 55.441 1.652 25010 1085 1 3 . 1 1 496 496 GLU CB C 496 29.927 29.927 28.650 1.277 25010 1086 1 3 . 1 1 496 496 GLU H H 496 8.304 8.304 8.060 0.244 25010 1087 1 3 . 1 1 497 497 GLU N N 497 120.611 120.611 120.716 -0.105 25010 1088 1 3 . 1 1 497 497 GLU HA H 497 4.390 4.390 4.400 -0.010 25010 1089 1 3 . 1 1 497 497 GLU CA C 497 56.781 56.781 56.146 0.635 25010 1090 1 3 . 1 1 497 497 GLU CB C 497 29.722 29.722 30.231 -0.509 25010 1091 1 3 . 1 1 497 497 GLU H H 497 8.181 8.181 8.083 0.098 25010 1092 1 3 . 1 1 498 498 THR N N 498 113.761 113.761 115.945 -2.184 25010 1093 1 3 . 1 1 498 498 THR HA H 498 4.519 4.519 4.109 0.410 25010 1094 1 3 . 1 1 498 498 THR CA C 498 61.768 61.768 60.939 0.829 25010 1095 1 3 . 1 1 498 498 THR CB C 498 69.893 69.893 69.405 0.488 25010 1096 1 3 . 1 1 498 498 THR H H 498 8.077 8.077 8.106 -0.029 25010 1097 1 3 . 1 1 499 499 PHE N N 499 119.315 119.315 119.110 0.205 25010 1098 1 3 . 1 1 499 499 PHE HA H 499 4.571 4.571 4.538 0.033 25010 1099 1 3 . 1 1 499 499 PHE CA C 499 58.469 58.469 57.853 0.616 25010 1100 1 3 . 1 1 499 499 PHE CB C 499 38.648 38.648 38.393 0.255 25010 1101 1 3 . 1 1 499 499 PHE H H 499 8.089 8.089 8.571 -0.482 25010 1102 1 3 . 1 1 500 500 LYS N N 500 120.851 120.851 120.840 0.011 25010 1103 1 3 . 1 1 500 500 LYS HA H 500 4.146 4.146 4.162 -0.016 25010 1104 1 3 . 1 1 500 500 LYS CA C 500 57.814 57.814 58.437 -0.623 25010 1105 1 3 . 1 1 500 500 LYS CB C 500 33.603 33.603 33.010 0.593 25010 1106 1 3 . 1 1 500 500 LYS H H 500 8.100 8.100 8.125 -0.025 25010 1107 1 3 . 1 1 501 501 TYR N N 501 114.551 114.551 113.182 1.369 25010 1108 1 3 . 1 1 501 501 TYR HA H 501 4.782 4.782 5.262 -0.480 25010 1109 1 3 . 1 1 501 501 TYR CA C 501 55.002 55.002 55.675 -0.673 25010 1110 1 3 . 1 1 501 501 TYR CB C 501 41.643 41.643 41.046 0.597 25010 1111 1 3 . 1 1 501 501 TYR H H 501 7.259 7.259 7.535 -0.276 25010 1112 1 3 . 1 1 502 502 TRP N N 502 119.304 119.304 120.811 -1.507 25010 1113 1 3 . 1 1 502 502 TRP HA H 502 5.351 5.351 4.915 0.436 25010 1114 1 3 . 1 1 502 502 TRP CA C 502 55.377 55.377 56.202 -0.825 25010 1115 1 3 . 1 1 502 502 TRP CB C 502 30.599 30.599 31.702 -1.103 25010 1116 1 3 . 1 1 502 502 TRP H H 502 8.399 8.399 8.962 -0.563 25010 1117 1 3 . 1 1 503 503 PHE N N 503 119.216 119.216 116.507 2.709 25010 1118 1 3 . 1 1 503 503 PHE HA H 503 5.382 5.382 5.461 -0.079 25010 1119 1 3 . 1 1 503 503 PHE CA C 503 54.961 54.961 55.399 -0.438 25010 1120 1 3 . 1 1 503 503 PHE CB C 503 41.607 41.607 42.464 -0.857 25010 1121 1 3 . 1 1 503 503 PHE H H 503 8.840 8.840 7.839 1.001 25010 1122 1 3 . 1 1 504 504 LYS N N 504 120.145 120.145 118.673 1.472 25010 1123 1 3 . 1 1 504 504 LYS HA H 504 4.887 4.887 4.900 -0.013 25010 1124 1 3 . 1 1 504 504 LYS CA C 504 55.586 55.586 54.980 0.606 25010 1125 1 3 . 1 1 504 504 LYS CB C 504 36.415 36.415 36.320 0.095 25010 1126 1 3 . 1 1 504 504 LYS H H 504 8.870 8.870 9.363 -0.493 25010 1127 1 3 . 1 1 505 505 LYS N N 505 126.170 126.170 125.072 1.098 25010 1128 1 3 . 1 1 505 505 LYS HA H 505 4.901 4.901 4.622 0.279 25010 1129 1 3 . 1 1 505 505 LYS CA C 505 55.352 55.352 55.697 -0.345 25010 1130 1 3 . 1 1 505 505 LYS CB C 505 34.907 34.907 34.297 0.610 25010 1131 1 3 . 1 1 505 505 LYS H H 505 8.838 8.838 8.686 0.152 25010 1132 1 3 . 1 1 506 506 ASP N N 506 125.883 125.883 129.187 -3.304 25010 1133 1 3 . 1 1 506 506 ASP HA H 506 4.839 4.839 4.856 -0.017 25010 1134 1 3 . 1 1 506 506 ASP CA C 506 52.564 52.564 53.454 -0.890 25010 1135 1 3 . 1 1 506 506 ASP CB C 506 41.961 41.961 40.961 1.000 25010 1136 1 3 . 1 1 506 506 ASP H H 506 8.947 8.947 8.838 0.109 25010 1137 1 3 . 1 1 507 507 GLY N N 507 114.432 114.432 112.610 1.822 25010 1138 1 3 . 1 1 507 507 GLY CA C 507 47.615 47.615 46.775 0.841 25010 1139 1 3 . 1 1 507 507 GLY H H 507 9.004 9.004 8.415 0.589 25010 1140 1 3 . 1 1 508 508 GLN N N 508 128.557 128.557 124.447 4.110 25010 1141 1 3 . 1 1 508 508 GLN HA H 508 4.119 4.119 4.338 -0.219 25010 1142 1 3 . 1 1 508 508 GLN CA C 508 57.237 57.237 55.887 1.350 25010 1143 1 3 . 1 1 508 508 GLN CB C 508 29.867 29.867 29.505 0.362 25010 1144 1 3 . 1 1 508 508 GLN H H 508 9.448 9.448 8.463 0.985 25010 1145 1 3 . 1 1 509 509 ARG N N 509 120.332 120.332 120.524 -0.192 25010 1146 1 3 . 1 1 509 509 ARG HA H 509 4.986 4.986 4.743 0.243 25010 1147 1 3 . 1 1 509 509 ARG CA C 509 56.146 56.146 55.431 0.715 25010 1148 1 3 . 1 1 509 509 ARG CB C 509 32.012 32.012 32.392 -0.381 25010 1149 1 3 . 1 1 509 509 ARG H H 509 8.215 8.215 7.811 0.405 25010 1150 1 3 . 1 1 510 510 HIS N N 510 122.773 122.773 122.576 0.197 25010 1151 1 3 . 1 1 510 510 HIS HA H 510 5.136 5.136 5.522 -0.386 25010 1152 1 3 . 1 1 510 510 HIS CA C 510 56.449 56.449 55.060 1.389 25010 1153 1 3 . 1 1 510 510 HIS CB C 510 35.290 35.290 32.951 2.339 25010 1154 1 3 . 1 1 510 510 HIS H H 510 8.786 8.786 9.163 -0.377 25010 1155 1 3 . 1 1 511 511 HIS N N 511 119.128 119.128 122.585 -3.457 25010 1156 1 3 . 1 1 511 511 HIS HA H 511 6.075 6.075 5.613 0.462 25010 1157 1 3 . 1 1 511 511 HIS CA C 511 53.818 53.818 54.307 -0.489 25010 1158 1 3 . 1 1 511 511 HIS CB C 511 33.422 33.422 32.530 0.892 25010 1159 1 3 . 1 1 511 511 HIS H H 511 9.269 9.269 9.520 -0.251 25010 1160 1 3 . 1 1 512 512 LEU N N 512 125.504 125.504 127.082 -1.578 25010 1161 1 3 . 1 1 512 512 LEU HA H 512 4.384 4.384 4.697 -0.313 25010 1162 1 3 . 1 1 512 512 LEU CA C 512 54.196 54.196 53.438 0.758 25010 1163 1 3 . 1 1 512 512 LEU CB C 512 42.275 42.275 42.607 -0.332 25010 1164 1 3 . 1 1 512 512 LEU H H 512 8.345 8.345 9.050 -0.705 25010 1165 1 3 . 1 1 513 513 ILE N N 513 127.867 127.867 128.679 -0.812 25010 1166 1 3 . 1 1 513 513 ILE HA H 513 4.907 4.907 4.159 0.748 25010 1167 1 3 . 1 1 513 513 ILE CA C 513 59.524 59.524 60.505 -0.981 25010 1168 1 3 . 1 1 513 513 ILE CB C 513 40.044 40.044 37.349 2.695 25010 1169 1 3 . 1 1 513 513 ILE H H 513 8.776 8.776 8.702 0.074 25010 1170 1 3 . 1 1 514 514 ILE N N 514 125.882 125.882 128.452 -2.570 25010 1171 1 3 . 1 1 514 514 ILE HA H 514 4.354 4.354 4.025 0.329 25010 1172 1 3 . 1 1 514 514 ILE CA C 514 60.058 60.058 62.035 -1.977 25010 1173 1 3 . 1 1 514 514 ILE CB C 514 39.802 39.802 36.998 2.804 25010 1174 1 3 . 1 1 514 514 ILE H H 514 8.777 8.777 8.842 -0.065 25010 1175 1 3 . 1 1 515 515 ASN N N 515 124.270 124.270 126.646 -2.376 25010 1176 1 3 . 1 1 515 515 ASN HA H 515 4.277 4.277 4.596 -0.319 25010 1177 1 3 . 1 1 515 515 ASN CA C 515 57.166 57.166 55.430 1.736 25010 1178 1 3 . 1 1 515 515 ASN CB C 515 38.944 38.944 39.568 -0.624 25010 1179 1 3 . 1 1 515 515 ASN H H 515 8.068 8.068 9.089 -1.021 25010 1180 1 3 . 1 1 516 516 GLU N N 516 117.624 117.624 119.071 -1.447 25010 1181 1 3 . 1 1 516 516 GLU HA H 516 3.841 3.841 4.592 -0.751 25010 1182 1 3 . 1 1 516 516 GLU CA C 516 55.032 55.032 55.205 -0.172 25010 1183 1 3 . 1 1 516 516 GLU CB C 516 31.030 31.030 31.300 -0.270 25010 1184 1 3 . 1 1 516 516 GLU H H 516 8.320 8.320 7.793 0.527 25010 1185 1 3 . 1 1 517 517 ALA N N 517 125.884 125.884 129.752 -3.868 25010 1186 1 3 . 1 1 517 517 ALA HA H 517 4.186 4.186 4.308 -0.122 25010 1187 1 3 . 1 1 517 517 ALA CA C 517 53.726 53.726 53.026 0.700 25010 1188 1 3 . 1 1 517 517 ALA CB C 517 18.902 18.902 19.794 -0.892 25010 1189 1 3 . 1 1 517 517 ALA H H 517 8.735 8.735 9.020 -0.285 25010 1190 1 3 . 1 1 518 518 MET N N 518 123.090 123.090 121.366 1.724 25010 1191 1 3 . 1 1 518 518 MET HA H 518 4.888 4.888 4.720 0.168 25010 1192 1 3 . 1 1 518 518 MET CA C 518 53.006 53.006 53.212 -0.206 25010 1193 1 3 . 1 1 518 518 MET CB C 518 36.535 36.535 35.609 0.926 25010 1194 1 3 . 1 1 518 518 MET H H 518 9.831 9.831 8.315 1.516 25010 1195 1 3 . 1 1 519 519 LEU N N 519 123.171 123.171 122.259 0.912 25010 1196 1 3 . 1 1 519 519 LEU HA H 519 3.846 3.846 4.192 -0.346 25010 1197 1 3 . 1 1 519 519 LEU CA C 519 59.407 59.407 58.340 1.067 25010 1198 1 3 . 1 1 519 519 LEU CB C 519 40.967 40.967 40.645 0.322 25010 1199 1 3 . 1 1 519 519 LEU H H 519 9.108 9.108 8.485 0.623 25010 1200 1 3 . 1 1 520 520 GLU N N 520 115.409 115.409 118.960 -3.551 25010 1201 1 3 . 1 1 520 520 GLU HA H 520 4.257 4.257 4.103 0.154 25010 1202 1 3 . 1 1 520 520 GLU CA C 520 58.537 58.537 59.036 -0.499 25010 1203 1 3 . 1 1 520 520 GLU CB C 520 28.123 28.123 28.583 -0.460 25010 1204 1 3 . 1 1 520 520 GLU H H 520 9.118 9.118 8.677 0.441 25010 1205 1 3 . 1 1 521 521 ASP N N 521 117.154 117.154 119.441 -2.287 25010 1206 1 3 . 1 1 521 521 ASP HA H 521 4.692 4.692 4.510 0.182 25010 1207 1 3 . 1 1 521 521 ASP CA C 521 56.134 56.134 55.383 0.751 25010 1208 1 3 . 1 1 521 521 ASP CB C 521 41.053 41.053 40.626 0.427 25010 1209 1 3 . 1 1 521 521 ASP H H 521 8.114 8.114 8.291 -0.177 25010 1210 1 3 . 1 1 522 522 ALA N N 522 123.368 123.368 120.735 2.633 25010 1211 1 3 . 1 1 522 522 ALA HA H 522 4.159 4.159 4.357 -0.198 25010 1212 1 3 . 1 1 522 522 ALA CA C 522 53.689 53.689 52.480 1.209 25010 1213 1 3 . 1 1 522 522 ALA CB C 522 19.915 19.915 18.898 1.017 25010 1214 1 3 . 1 1 522 522 ALA H H 522 7.572 7.572 7.283 0.289 25010 1215 1 3 . 1 1 523 523 GLY N N 523 107.946 107.946 105.701 2.245 25010 1216 1 3 . 1 1 523 523 GLY CA C 523 45.093 45.093 43.993 1.100 25010 1217 1 3 . 1 1 523 523 GLY H H 523 8.509 8.509 7.317 1.192 25010 1218 1 3 . 1 1 524 524 HIS N N 524 119.840 119.840 118.438 1.402 25010 1219 1 3 . 1 1 524 524 HIS HA H 524 5.290 5.290 4.455 0.835 25010 1220 1 3 . 1 1 524 524 HIS CA C 524 56.034 56.034 56.515 -0.481 25010 1221 1 3 . 1 1 524 524 HIS CB C 524 30.145 30.145 30.988 -0.843 25010 1222 1 3 . 1 1 524 524 HIS H H 524 9.142 9.142 8.520 0.622 25010 1223 1 3 . 1 1 525 525 TYR N N 525 127.518 127.518 121.055 6.463 25010 1224 1 3 . 1 1 525 525 TYR HA H 525 5.218 5.218 4.958 0.260 25010 1225 1 3 . 1 1 525 525 TYR CA C 525 57.358 57.358 57.201 0.157 25010 1226 1 3 . 1 1 525 525 TYR CB C 525 40.926 40.926 41.493 -0.568 25010 1227 1 3 . 1 1 525 525 TYR H H 525 9.590 9.590 8.605 0.985 25010 1228 1 3 . 1 1 526 526 ALA N N 526 121.840 121.840 125.374 -3.534 25010 1229 1 3 . 1 1 526 526 ALA HA H 526 5.608 5.608 5.420 0.188 25010 1230 1 3 . 1 1 526 526 ALA CA C 526 49.627 49.627 50.520 -0.893 25010 1231 1 3 . 1 1 526 526 ALA CB C 526 24.176 24.176 22.853 1.323 25010 1232 1 3 . 1 1 526 526 ALA H H 526 9.116 9.116 9.264 -0.148 25010 1233 1 3 . 1 1 527 527 LEU N N 527 121.819 121.819 123.721 -1.902 25010 1234 1 3 . 1 1 527 527 LEU HA H 527 4.564 4.564 5.491 -0.927 25010 1235 1 3 . 1 1 527 527 LEU CA C 527 53.112 53.112 52.819 0.293 25010 1236 1 3 . 1 1 527 527 LEU CB C 527 42.995 42.995 45.523 -2.528 25010 1237 1 3 . 1 1 527 527 LEU H H 527 8.177 8.177 9.028 -0.851 25010 1238 1 3 . 1 1 528 528 CYS N N 528 122.918 122.918 126.494 -3.576 25010 1239 1 3 . 1 1 528 528 CYS HA H 528 4.995 4.995 5.017 -0.022 25010 1240 1 3 . 1 1 528 528 CYS CA C 528 57.302 57.302 56.052 1.250 25010 1241 1 3 . 1 1 528 528 CYS CB C 528 29.928 29.928 30.256 -0.328 25010 1242 1 3 . 1 1 528 528 CYS H H 528 8.991 8.991 8.751 0.240 25010 1243 1 3 . 1 1 529 529 THR N N 529 116.311 116.311 118.456 -2.145 25010 1244 1 3 . 1 1 529 529 THR HA H 529 4.717 4.717 5.093 -0.376 25010 1245 1 3 . 1 1 529 529 THR CA C 529 59.605 59.605 59.637 -0.032 25010 1246 1 3 . 1 1 529 529 THR CB C 529 71.228 71.228 70.929 0.299 25010 1247 1 3 . 1 1 529 529 THR H H 529 8.688 8.688 8.661 0.027 25010 1248 1 3 . 1 1 530 530 SER N N 530 115.043 115.043 114.830 0.213 25010 1249 1 3 . 1 1 530 530 SER HA H 530 4.284 4.284 4.377 -0.093 25010 1250 1 3 . 1 1 530 530 SER CA C 530 59.975 59.975 60.294 -0.319 25010 1251 1 3 . 1 1 530 530 SER CB C 530 62.698 62.698 63.123 -0.425 25010 1252 1 3 . 1 1 530 530 SER H H 530 9.371 9.371 8.595 0.776 25010 1253 1 3 . 1 1 531 531 GLY N N 531 108.631 108.631 109.568 -0.937 25010 1254 1 3 . 1 1 531 531 GLY CA C 531 45.295 45.295 44.698 0.597 25010 1255 1 3 . 1 1 531 531 GLY H H 531 8.173 8.173 7.457 0.716 25010 1256 1 3 . 1 1 532 532 GLY N N 532 109.029 109.029 107.999 1.030 25010 1257 1 3 . 1 1 532 532 GLY CA C 532 45.389 45.389 44.199 1.190 25010 1258 1 3 . 1 1 532 532 GLY H H 532 7.540 7.540 7.753 -0.213 25010 1259 1 3 . 1 1 533 533 GLN N N 533 116.724 116.724 116.548 0.176 25010 1260 1 3 . 1 1 533 533 GLN HA H 533 5.357 5.357 5.092 0.265 25010 1261 1 3 . 1 1 533 533 GLN CA C 533 54.682 54.682 54.381 0.301 25010 1262 1 3 . 1 1 533 533 GLN CB C 533 32.353 32.353 32.631 -0.278 25010 1263 1 3 . 1 1 533 533 GLN H H 533 8.309 8.309 8.265 0.044 25010 1264 1 3 . 1 1 534 534 ALA N N 534 126.868 126.868 124.526 2.342 25010 1265 1 3 . 1 1 534 534 ALA HA H 534 4.870 4.870 4.804 0.066 25010 1266 1 3 . 1 1 534 534 ALA CA C 534 50.764 50.764 51.072 -0.308 25010 1267 1 3 . 1 1 534 534 ALA CB C 534 22.046 22.046 21.099 0.947 25010 1268 1 3 . 1 1 534 534 ALA H H 534 8.876 8.876 9.079 -0.203 25010 1269 1 3 . 1 1 535 535 LEU N N 535 122.735 122.735 125.341 -2.606 25010 1270 1 3 . 1 1 535 535 LEU HA H 535 5.401 5.401 5.273 0.128 25010 1271 1 3 . 1 1 535 535 LEU CA C 535 54.530 54.530 53.649 0.881 25010 1272 1 3 . 1 1 535 535 LEU CB C 535 46.423 46.423 44.923 1.500 25010 1273 1 3 . 1 1 535 535 LEU H H 535 8.445 8.445 8.603 -0.158 25010 1274 1 3 . 1 1 536 536 ALA N N 536 125.503 125.503 128.712 -3.209 25010 1275 1 3 . 1 1 536 536 ALA HA H 536 4.758 4.758 4.861 -0.103 25010 1276 1 3 . 1 1 536 536 ALA CA C 536 51.975 51.975 51.614 0.361 25010 1277 1 3 . 1 1 536 536 ALA CB C 536 24.534 24.534 22.314 2.220 25010 1278 1 3 . 1 1 536 536 ALA H H 536 9.375 9.375 8.990 0.385 25010 1279 1 3 . 1 1 537 537 GLU N N 537 121.939 121.939 122.098 -0.159 25010 1280 1 3 . 1 1 537 537 GLU HA H 537 4.942 4.942 4.375 0.567 25010 1281 1 3 . 1 1 537 537 GLU CA C 537 55.059 55.059 55.168 -0.109 25010 1282 1 3 . 1 1 537 537 GLU CB C 537 31.991 31.991 30.307 1.684 25010 1283 1 3 . 1 1 537 537 GLU H H 537 9.320 9.320 8.385 0.935 25010 1284 1 3 . 1 1 538 538 LEU N N 538 125.030 125.030 127.352 -2.322 25010 1285 1 3 . 1 1 538 538 LEU HA H 538 5.372 5.372 4.667 0.705 25010 1286 1 3 . 1 1 538 538 LEU CA C 538 53.663 53.663 54.156 -0.493 25010 1287 1 3 . 1 1 538 538 LEU CB C 538 45.180 45.180 43.242 1.938 25010 1288 1 3 . 1 1 538 538 LEU H H 538 9.306 9.306 8.678 0.628 25010 1289 1 3 . 1 1 539 539 ILE N N 539 130.825 130.825 128.459 2.366 25010 1290 1 3 . 1 1 539 539 ILE HA H 539 4.304 4.304 4.275 0.029 25010 1291 1 3 . 1 1 539 539 ILE CA C 539 61.221 61.221 61.132 0.089 25010 1292 1 3 . 1 1 539 539 ILE CB C 539 39.938 39.938 38.469 1.469 25010 1293 1 3 . 1 1 539 539 ILE H H 539 8.908 8.908 8.481 0.427 25010 1294 1 3 . 1 1 540 540 VAL N N 540 125.447 125.447 128.433 -2.986 25010 1295 1 3 . 1 1 540 540 VAL HA H 540 4.806 4.806 4.654 0.152 25010 1296 1 3 . 1 1 540 540 VAL CA C 540 60.340 60.340 61.193 -0.853 25010 1297 1 3 . 1 1 540 540 VAL CB C 540 33.794 33.794 32.382 1.412 25010 1298 1 3 . 1 1 540 540 VAL H H 540 7.890 7.890 8.553 -0.663 25010 1299 1 3 . 1 1 541 541 GLN N N 541 126.060 126.060 127.541 -1.481 25010 1300 1 3 . 1 1 541 541 GLN HA H 541 4.652 4.652 4.560 0.092 25010 1301 1 3 . 1 1 541 541 GLN CA C 541 54.441 54.441 53.749 0.692 25010 1302 1 3 . 1 1 541 541 GLN CB C 541 30.994 30.994 30.621 0.373 25010 1303 1 3 . 1 1 541 541 GLN H H 541 9.089 9.089 8.839 0.250 25010 1304 1 3 . 1 1 542 542 GLU N N 542 122.213 122.213 123.896 -1.683 25010 1305 1 3 . 1 1 542 542 GLU HA H 542 4.340 4.340 4.225 0.115 25010 1306 1 3 . 1 1 542 542 GLU CA C 542 57.168 57.168 55.355 1.813 25010 1307 1 3 . 1 1 542 542 GLU CB C 542 32.061 32.061 31.033 1.028 25010 1308 1 3 . 1 1 542 542 GLU H H 542 8.763 8.763 8.688 0.075 25010 1309 1 4 . 1 1 451 451 HIS HA H 451 4.666 4.666 4.430 0.236 25010 1310 1 4 . 1 1 451 451 HIS CA C 451 56.039 56.039 57.037 -0.998 25010 1311 1 4 . 1 1 451 451 HIS CB C 451 30.388 30.388 28.049 2.339 25010 1312 1 4 . 1 1 452 452 MET N N 452 123.092 123.092 118.130 4.962 25010 1313 1 4 . 1 1 452 452 MET CB C 452 32.012 32.012 33.036 -1.024 25010 1314 1 4 . 1 1 452 452 MET H H 452 8.328 8.328 7.659 0.669 25010 1315 1 4 . 1 1 453 453 PRO HA H 453 4.316 4.316 4.327 -0.011 25010 1316 1 4 . 1 1 453 453 PRO CA C 453 62.807 62.807 62.857 -0.050 25010 1317 1 4 . 1 1 453 453 PRO CB C 453 32.230 32.230 31.916 0.313 25010 1318 1 4 . 1 1 454 454 VAL N N 454 122.113 122.113 120.846 1.267 25010 1319 1 4 . 1 1 454 454 VAL HA H 454 3.762 3.762 3.906 -0.144 25010 1320 1 4 . 1 1 454 454 VAL CA C 454 63.093 63.093 63.172 -0.079 25010 1321 1 4 . 1 1 454 454 VAL CB C 454 32.192 32.192 31.846 0.346 25010 1322 1 4 . 1 1 454 454 VAL H H 454 7.806 7.806 8.353 -0.547 25010 1323 1 4 . 1 1 455 455 LEU N N 455 129.322 129.322 128.654 0.668 25010 1324 1 4 . 1 1 455 455 LEU HA H 455 4.459 4.459 4.357 0.102 25010 1325 1 4 . 1 1 455 455 LEU CA C 455 53.133 53.133 55.259 -2.126 25010 1326 1 4 . 1 1 455 455 LEU CB C 455 43.699 43.699 42.791 0.908 25010 1327 1 4 . 1 1 455 455 LEU H H 455 8.586 8.586 8.332 0.254 25010 1328 1 4 . 1 1 456 456 ILE N N 456 120.924 120.924 123.195 -2.271 25010 1329 1 4 . 1 1 456 456 ILE HA H 456 4.259 4.259 4.375 -0.116 25010 1330 1 4 . 1 1 456 456 ILE CA C 456 60.937 60.937 59.944 0.993 25010 1331 1 4 . 1 1 456 456 ILE CB C 456 36.860 36.860 36.623 0.237 25010 1332 1 4 . 1 1 456 456 ILE H H 456 8.519 8.519 8.423 0.096 25010 1333 1 4 . 1 1 457 457 THR N N 457 120.896 120.896 122.423 -1.527 25010 1334 1 4 . 1 1 457 457 THR HA H 457 4.297 4.297 4.281 0.016 25010 1335 1 4 . 1 1 457 457 THR CA C 457 62.783 62.783 63.107 -0.324 25010 1336 1 4 . 1 1 457 457 THR CB C 457 67.927 67.927 69.766 -1.839 25010 1337 1 4 . 1 1 457 457 THR H H 457 8.671 8.671 8.276 0.395 25010 1338 1 4 . 1 1 458 458 ARG N N 458 122.706 122.706 122.093 0.613 25010 1339 1 4 . 1 1 458 458 ARG HA H 458 4.931 4.931 4.926 0.005 25010 1340 1 4 . 1 1 458 458 ARG CA C 458 53.816 53.816 52.683 1.133 25010 1341 1 4 . 1 1 458 458 ARG CB C 458 32.443 32.443 31.537 0.906 25010 1342 1 4 . 1 1 458 458 ARG H H 458 7.576 7.576 7.575 0.001 25010 1343 1 4 . 1 1 459 459 PRO HA H 459 4.315 4.315 4.475 -0.160 25010 1344 1 4 . 1 1 459 459 PRO CA C 459 62.763 62.763 62.231 0.532 25010 1345 1 4 . 1 1 459 459 PRO CB C 459 32.644 32.644 32.587 0.056 25010 1346 1 4 . 1 1 460 460 LEU N N 460 115.406 115.406 120.079 -4.673 25010 1347 1 4 . 1 1 460 460 LEU HA H 460 4.575 4.575 4.289 0.286 25010 1348 1 4 . 1 1 460 460 LEU CA C 460 55.114 55.114 53.633 1.481 25010 1349 1 4 . 1 1 460 460 LEU CB C 460 45.383 45.383 42.045 3.338 25010 1350 1 4 . 1 1 460 460 LEU H H 460 6.134 6.134 8.109 -1.975 25010 1351 1 4 . 1 1 461 461 GLU N N 461 120.629 120.629 119.839 0.790 25010 1352 1 4 . 1 1 461 461 GLU HA H 461 4.826 4.826 4.216 0.610 25010 1353 1 4 . 1 1 461 461 GLU CA C 461 54.846 54.846 56.703 -1.857 25010 1354 1 4 . 1 1 461 461 GLU CB C 461 32.513 32.513 29.637 2.876 25010 1355 1 4 . 1 1 461 461 GLU H H 461 8.409 8.409 8.264 0.145 25010 1356 1 4 . 1 1 462 462 ASP N N 462 122.487 122.487 122.368 0.119 25010 1357 1 4 . 1 1 462 462 ASP HA H 462 5.043 5.043 4.453 0.590 25010 1358 1 4 . 1 1 462 462 ASP CA C 462 55.551 55.551 54.481 1.069 25010 1359 1 4 . 1 1 462 462 ASP CB C 462 41.180 41.180 41.151 0.028 25010 1360 1 4 . 1 1 462 462 ASP H H 462 8.603 8.603 8.515 0.088 25010 1361 1 4 . 1 1 463 463 GLN N N 463 117.119 117.119 119.506 -2.387 25010 1362 1 4 . 1 1 463 463 GLN HA H 463 4.687 4.687 4.347 0.340 25010 1363 1 4 . 1 1 463 463 GLN CA C 463 54.383 54.383 55.193 -0.810 25010 1364 1 4 . 1 1 463 463 GLN CB C 463 33.212 33.212 29.629 3.583 25010 1365 1 4 . 1 1 463 463 GLN H H 463 8.785 8.785 7.731 1.054 25010 1366 1 4 . 1 1 464 464 LEU N N 464 127.523 127.523 123.883 3.640 25010 1367 1 4 . 1 1 464 464 LEU HA H 464 5.337 5.337 4.528 0.809 25010 1368 1 4 . 1 1 464 464 LEU CA C 464 54.511 54.511 54.840 -0.329 25010 1369 1 4 . 1 1 464 464 LEU CB C 464 44.048 44.048 43.171 0.877 25010 1370 1 4 . 1 1 464 464 LEU H H 464 8.420 8.420 8.311 0.109 25010 1371 1 4 . 1 1 465 465 VAL N N 465 119.244 119.244 122.430 -3.186 25010 1372 1 4 . 1 1 465 465 VAL HA H 465 4.796 4.796 4.642 0.154 25010 1373 1 4 . 1 1 465 465 VAL CA C 465 58.546 58.546 59.827 -1.281 25010 1374 1 4 . 1 1 465 465 VAL CB C 465 36.136 36.136 35.983 0.153 25010 1375 1 4 . 1 1 465 465 VAL H H 465 8.730 8.730 8.208 0.522 25010 1376 1 4 . 1 1 466 466 MET N N 466 119.234 119.234 117.638 1.596 25010 1377 1 4 . 1 1 466 466 MET HA H 466 5.269 5.269 4.899 0.370 25010 1378 1 4 . 1 1 466 466 MET CA C 466 52.842 52.842 54.358 -1.516 25010 1379 1 4 . 1 1 466 466 MET CB C 466 33.563 33.563 36.047 -2.484 25010 1380 1 4 . 1 1 466 466 MET H H 466 8.099 8.099 8.047 0.052 25010 1381 1 4 . 1 1 467 467 VAL N N 467 119.519 119.519 120.586 -1.067 25010 1382 1 4 . 1 1 467 467 VAL HA H 467 3.457 3.457 3.788 -0.331 25010 1383 1 4 . 1 1 467 467 VAL CA C 467 64.434 64.434 64.103 0.330 25010 1384 1 4 . 1 1 467 467 VAL CB C 467 32.220 32.220 31.753 0.467 25010 1385 1 4 . 1 1 467 467 VAL H H 467 7.917 7.917 8.324 -0.407 25010 1386 1 4 . 1 1 468 468 GLY N N 468 115.365 115.365 114.404 0.961 25010 1387 1 4 . 1 1 468 468 GLY CA C 468 44.814 44.814 44.831 -0.017 25010 1388 1 4 . 1 1 468 468 GLY H H 468 9.845 9.845 8.035 1.810 25010 1389 1 4 . 1 1 469 469 GLN N N 469 120.329 120.329 119.220 1.109 25010 1390 1 4 . 1 1 469 469 GLN HA H 469 4.433 4.433 4.529 -0.096 25010 1391 1 4 . 1 1 469 469 GLN CA C 469 55.841 55.841 54.166 1.675 25010 1392 1 4 . 1 1 469 469 GLN CB C 469 30.198 30.198 30.515 -0.317 25010 1393 1 4 . 1 1 469 469 GLN H H 469 7.984 7.984 7.481 0.503 25010 1394 1 4 . 1 1 470 470 ARG N N 470 122.940 122.940 121.520 1.420 25010 1395 1 4 . 1 1 470 470 ARG HA H 470 4.603 4.603 4.750 -0.147 25010 1396 1 4 . 1 1 470 470 ARG CA C 470 55.873 55.873 56.031 -0.158 25010 1397 1 4 . 1 1 470 470 ARG CB C 470 31.614 31.614 31.186 0.428 25010 1398 1 4 . 1 1 470 470 ARG H H 470 8.138 8.138 8.527 -0.389 25010 1399 1 4 . 1 1 471 471 VAL N N 471 127.100 127.100 128.014 -0.914 25010 1400 1 4 . 1 1 471 471 VAL HA H 471 4.135 4.135 4.264 -0.129 25010 1401 1 4 . 1 1 471 471 VAL CA C 471 60.424 60.424 60.840 -0.416 25010 1402 1 4 . 1 1 471 471 VAL CB C 471 34.725 34.725 33.713 1.012 25010 1403 1 4 . 1 1 471 471 VAL H H 471 8.869 8.869 8.817 0.052 25010 1404 1 4 . 1 1 472 472 GLU N N 472 126.220 126.220 126.136 0.084 25010 1405 1 4 . 1 1 472 472 GLU HA H 472 5.096 5.096 4.825 0.271 25010 1406 1 4 . 1 1 472 472 GLU CA C 472 54.644 54.644 54.670 -0.026 25010 1407 1 4 . 1 1 472 472 GLU CB C 472 32.890 32.890 32.624 0.266 25010 1408 1 4 . 1 1 472 472 GLU H H 472 8.601 8.601 8.591 0.010 25010 1409 1 4 . 1 1 473 473 PHE N N 473 125.641 125.641 123.985 1.656 25010 1410 1 4 . 1 1 473 473 PHE HA H 473 4.747 4.747 4.875 -0.128 25010 1411 1 4 . 1 1 473 473 PHE CA C 473 57.513 57.513 55.678 1.835 25010 1412 1 4 . 1 1 473 473 PHE CB C 473 41.975 41.975 40.510 1.466 25010 1413 1 4 . 1 1 473 473 PHE H H 473 9.275 9.275 9.128 0.147 25010 1414 1 4 . 1 1 474 474 GLU N N 474 120.663 120.663 125.096 -4.433 25010 1415 1 4 . 1 1 474 474 GLU HA H 474 5.369 5.369 4.680 0.689 25010 1416 1 4 . 1 1 474 474 GLU CA C 474 54.976 54.976 55.250 -0.274 25010 1417 1 4 . 1 1 474 474 GLU CB C 474 32.849 32.849 32.063 0.786 25010 1418 1 4 . 1 1 474 474 GLU H H 474 8.452 8.452 8.692 -0.240 25010 1419 1 4 . 1 1 475 475 CYS N N 475 121.477 121.477 123.839 -2.362 25010 1420 1 4 . 1 1 475 475 CYS HA H 475 4.818 4.818 5.506 -0.688 25010 1421 1 4 . 1 1 475 475 CYS CA C 475 56.706 56.706 56.008 0.698 25010 1422 1 4 . 1 1 475 475 CYS CB C 475 30.937 30.937 31.846 -0.909 25010 1423 1 4 . 1 1 475 475 CYS H H 475 9.015 9.015 8.590 0.425 25010 1424 1 4 . 1 1 476 476 GLU N N 476 123.383 123.383 118.381 5.002 25010 1425 1 4 . 1 1 476 476 GLU HA H 476 5.522 5.522 5.294 0.228 25010 1426 1 4 . 1 1 476 476 GLU CA C 476 55.076 55.076 55.386 -0.310 25010 1427 1 4 . 1 1 476 476 GLU CB C 476 33.796 33.796 33.114 0.682 25010 1428 1 4 . 1 1 476 476 GLU H H 476 8.574 8.574 8.146 0.428 25010 1429 1 4 . 1 1 477 477 VAL N N 477 116.481 116.481 112.969 3.512 25010 1430 1 4 . 1 1 477 477 VAL HA H 477 5.430 5.430 4.991 0.439 25010 1431 1 4 . 1 1 477 477 VAL CA C 477 58.827 58.827 58.837 -0.010 25010 1432 1 4 . 1 1 477 477 VAL CB C 477 34.087 34.087 34.602 -0.515 25010 1433 1 4 . 1 1 477 477 VAL H H 477 8.739 8.739 8.165 0.574 25010 1434 1 4 . 1 1 478 478 SER N N 478 111.234 111.234 114.833 -3.599 25010 1435 1 4 . 1 1 478 478 SER HA H 478 4.072 4.072 4.433 -0.361 25010 1436 1 4 . 1 1 478 478 SER CA C 478 60.984 60.984 59.332 1.652 25010 1437 1 4 . 1 1 478 478 SER CB C 478 63.568 63.568 63.687 -0.119 25010 1438 1 4 . 1 1 478 478 SER H H 478 8.779 8.779 8.437 0.342 25010 1439 1 4 . 1 1 479 479 GLU N N 479 116.983 116.983 120.276 -3.293 25010 1440 1 4 . 1 1 479 479 GLU HA H 479 4.872 4.872 4.488 0.384 25010 1441 1 4 . 1 1 479 479 GLU CA C 479 54.615 54.615 54.561 0.054 25010 1442 1 4 . 1 1 479 479 GLU CB C 479 33.654 33.654 31.556 2.098 25010 1443 1 4 . 1 1 479 479 GLU H H 479 6.800 6.800 7.833 -1.033 25010 1444 1 4 . 1 1 480 480 GLU N N 480 124.422 124.422 127.601 -3.179 25010 1445 1 4 . 1 1 480 480 GLU HA H 480 4.405 4.405 4.191 0.214 25010 1446 1 4 . 1 1 480 480 GLU CA C 480 57.861 57.861 57.277 0.584 25010 1447 1 4 . 1 1 480 480 GLU CB C 480 29.787 29.787 29.950 -0.163 25010 1448 1 4 . 1 1 480 480 GLU H H 480 9.243 9.243 8.790 0.453 25010 1449 1 4 . 1 1 481 481 GLY CA C 481 45.916 45.916 45.376 0.540 25010 1450 1 4 . 1 1 482 482 ALA N N 482 121.277 121.277 121.940 -0.663 25010 1451 1 4 . 1 1 482 482 ALA HA H 482 4.513 4.513 4.375 0.138 25010 1452 1 4 . 1 1 482 482 ALA CA C 482 52.243 52.243 51.809 0.434 25010 1453 1 4 . 1 1 482 482 ALA CB C 482 20.653 20.653 20.018 0.635 25010 1454 1 4 . 1 1 482 482 ALA H H 482 7.449 7.449 7.533 -0.084 25010 1455 1 4 . 1 1 483 483 GLN N N 483 121.318 121.318 122.934 -1.616 25010 1456 1 4 . 1 1 483 483 GLN HA H 483 4.481 4.481 4.431 0.050 25010 1457 1 4 . 1 1 483 483 GLN CA C 483 55.471 55.471 55.671 -0.200 25010 1458 1 4 . 1 1 483 483 GLN CB C 483 28.077 28.077 29.793 -1.716 25010 1459 1 4 . 1 1 483 483 GLN H H 483 8.541 8.541 8.632 -0.091 25010 1460 1 4 . 1 1 484 484 VAL N N 484 118.395 118.395 117.262 1.133 25010 1461 1 4 . 1 1 484 484 VAL HA H 484 4.919 4.919 4.475 0.444 25010 1462 1 4 . 1 1 484 484 VAL CA C 484 58.491 58.491 59.400 -0.909 25010 1463 1 4 . 1 1 484 484 VAL CB C 484 34.518 34.518 33.380 1.138 25010 1464 1 4 . 1 1 484 484 VAL H H 484 8.283 8.283 7.877 0.406 25010 1465 1 4 . 1 1 485 485 LYS N N 485 119.957 119.957 123.846 -3.889 25010 1466 1 4 . 1 1 485 485 LYS HA H 485 4.594 4.594 4.507 0.087 25010 1467 1 4 . 1 1 485 485 LYS CA C 485 55.038 55.038 54.474 0.564 25010 1468 1 4 . 1 1 485 485 LYS CB C 485 36.678 36.678 35.474 1.204 25010 1469 1 4 . 1 1 485 485 LYS H H 485 8.039 8.039 8.670 -0.631 25010 1470 1 4 . 1 1 486 486 TRP N N 486 123.677 123.677 125.583 -1.906 25010 1471 1 4 . 1 1 486 486 TRP HA H 486 5.608 5.608 4.964 0.644 25010 1472 1 4 . 1 1 486 486 TRP CA C 486 55.766 55.766 56.402 -0.636 25010 1473 1 4 . 1 1 486 486 TRP CB C 486 32.033 32.033 30.656 1.377 25010 1474 1 4 . 1 1 486 486 TRP H H 486 8.767 8.767 8.589 0.178 25010 1475 1 4 . 1 1 487 487 LEU N N 487 121.292 121.292 124.833 -3.541 25010 1476 1 4 . 1 1 487 487 LEU HA H 487 5.199 5.199 4.971 0.228 25010 1477 1 4 . 1 1 487 487 LEU CA C 487 53.645 53.645 53.611 0.034 25010 1478 1 4 . 1 1 487 487 LEU CB C 487 46.241 46.241 46.721 -0.480 25010 1479 1 4 . 1 1 487 487 LEU H H 487 9.599 9.599 9.410 0.189 25010 1480 1 4 . 1 1 488 488 LYS N N 488 119.097 119.097 124.298 -5.201 25010 1481 1 4 . 1 1 488 488 LYS HA H 488 4.448 4.448 4.844 -0.396 25010 1482 1 4 . 1 1 488 488 LYS CA C 488 55.221 55.221 55.372 -0.151 25010 1483 1 4 . 1 1 488 488 LYS CB C 488 35.636 35.636 34.323 1.313 25010 1484 1 4 . 1 1 488 488 LYS H H 488 8.702 8.702 9.219 -0.517 25010 1485 1 4 . 1 1 489 489 ASP N N 489 130.255 130.255 128.274 1.981 25010 1486 1 4 . 1 1 489 489 ASP HA H 489 4.377 4.377 4.271 0.106 25010 1487 1 4 . 1 1 489 489 ASP CA C 489 55.843 55.843 55.550 0.293 25010 1488 1 4 . 1 1 489 489 ASP CB C 489 40.211 40.211 40.078 0.133 25010 1489 1 4 . 1 1 489 489 ASP H H 489 9.895 9.895 8.928 0.967 25010 1490 1 4 . 1 1 490 490 GLY N N 490 101.682 101.682 103.634 -1.952 25010 1491 1 4 . 1 1 490 490 GLY CA C 490 45.394 45.394 44.972 0.422 25010 1492 1 4 . 1 1 490 490 GLY H H 490 8.673 8.673 8.515 0.158 25010 1493 1 4 . 1 1 491 491 VAL N N 491 123.371 123.371 123.324 0.047 25010 1494 1 4 . 1 1 491 491 VAL HA H 491 4.197 4.197 4.147 0.050 25010 1495 1 4 . 1 1 491 491 VAL CA C 491 61.597 61.597 61.822 -0.225 25010 1496 1 4 . 1 1 491 491 VAL CB C 491 33.598 33.598 33.134 0.464 25010 1497 1 4 . 1 1 491 491 VAL H H 491 7.954 7.954 7.805 0.149 25010 1498 1 4 . 1 1 492 492 GLU N N 492 127.934 127.934 126.682 1.252 25010 1499 1 4 . 1 1 492 492 GLU HA H 492 4.410 4.410 4.438 -0.028 25010 1500 1 4 . 1 1 492 492 GLU CA C 492 57.649 57.649 55.918 1.731 25010 1501 1 4 . 1 1 492 492 GLU CB C 492 29.242 29.242 30.864 -1.622 25010 1502 1 4 . 1 1 492 492 GLU H H 492 8.781 8.781 8.559 0.222 25010 1503 1 4 . 1 1 493 493 LEU N N 493 127.787 127.787 128.532 -0.745 25010 1504 1 4 . 1 1 493 493 LEU HA H 493 4.591 4.591 4.319 0.272 25010 1505 1 4 . 1 1 493 493 LEU CA C 493 54.628 54.628 55.584 -0.956 25010 1506 1 4 . 1 1 493 493 LEU CB C 493 41.823 41.823 42.764 -0.941 25010 1507 1 4 . 1 1 493 493 LEU H H 493 8.934 8.934 8.211 0.723 25010 1508 1 4 . 1 1 494 494 THR N N 494 114.564 114.564 115.425 -0.861 25010 1509 1 4 . 1 1 494 494 THR HA H 494 4.238 4.238 4.501 -0.263 25010 1510 1 4 . 1 1 494 494 THR CA C 494 61.209 61.209 62.267 -1.058 25010 1511 1 4 . 1 1 494 494 THR CB C 494 70.420 70.420 69.657 0.763 25010 1512 1 4 . 1 1 494 494 THR H H 494 8.338 8.338 8.723 -0.385 25010 1513 1 4 . 1 1 495 495 ARG N N 495 121.286 121.286 124.046 -2.760 25010 1514 1 4 . 1 1 495 495 ARG HA H 495 4.421 4.421 4.258 0.163 25010 1515 1 4 . 1 1 495 495 ARG CA C 495 56.805 56.805 58.220 -1.415 25010 1516 1 4 . 1 1 495 495 ARG CB C 495 30.014 30.014 29.847 0.167 25010 1517 1 4 . 1 1 495 495 ARG H H 495 8.580 8.580 8.785 -0.205 25010 1518 1 4 . 1 1 496 496 GLU N N 496 120.070 120.070 117.676 2.394 25010 1519 1 4 . 1 1 496 496 GLU HA H 496 4.341 4.341 4.429 -0.088 25010 1520 1 4 . 1 1 496 496 GLU CA C 496 57.093 57.093 54.536 2.557 25010 1521 1 4 . 1 1 496 496 GLU CB C 496 29.927 29.927 28.771 1.156 25010 1522 1 4 . 1 1 496 496 GLU H H 496 8.304 8.304 8.072 0.232 25010 1523 1 4 . 1 1 497 497 GLU N N 497 120.611 120.611 120.827 -0.216 25010 1524 1 4 . 1 1 497 497 GLU HA H 497 4.390 4.390 4.179 0.211 25010 1525 1 4 . 1 1 497 497 GLU CA C 497 56.781 56.781 56.682 0.099 25010 1526 1 4 . 1 1 497 497 GLU CB C 497 29.722 29.722 30.336 -0.614 25010 1527 1 4 . 1 1 497 497 GLU H H 497 8.181 8.181 7.554 0.627 25010 1528 1 4 . 1 1 498 498 THR N N 498 113.761 113.761 116.603 -2.842 25010 1529 1 4 . 1 1 498 498 THR HA H 498 4.519 4.519 4.094 0.425 25010 1530 1 4 . 1 1 498 498 THR CA C 498 61.768 61.768 62.974 -1.206 25010 1531 1 4 . 1 1 498 498 THR CB C 498 69.893 69.893 69.553 0.340 25010 1532 1 4 . 1 1 498 498 THR H H 498 8.077 8.077 8.301 -0.224 25010 1533 1 4 . 1 1 499 499 PHE N N 499 119.315 119.315 125.354 -6.039 25010 1534 1 4 . 1 1 499 499 PHE HA H 499 4.571 4.571 4.595 -0.024 25010 1535 1 4 . 1 1 499 499 PHE CA C 499 58.469 58.469 58.549 -0.080 25010 1536 1 4 . 1 1 499 499 PHE CB C 499 38.648 38.648 38.253 0.395 25010 1537 1 4 . 1 1 499 499 PHE H H 499 8.089 8.089 8.590 -0.501 25010 1538 1 4 . 1 1 500 500 LYS N N 500 120.851 120.851 120.466 0.385 25010 1539 1 4 . 1 1 500 500 LYS HA H 500 4.146 4.146 4.041 0.105 25010 1540 1 4 . 1 1 500 500 LYS CA C 500 57.814 57.814 57.990 -0.176 25010 1541 1 4 . 1 1 500 500 LYS CB C 500 33.603 33.603 33.660 -0.057 25010 1542 1 4 . 1 1 500 500 LYS H H 500 8.100 8.100 7.826 0.274 25010 1543 1 4 . 1 1 501 501 TYR N N 501 114.551 114.551 114.488 0.063 25010 1544 1 4 . 1 1 501 501 TYR HA H 501 4.782 4.782 4.817 -0.035 25010 1545 1 4 . 1 1 501 501 TYR CA C 501 55.002 55.002 54.593 0.409 25010 1546 1 4 . 1 1 501 501 TYR CB C 501 41.643 41.643 40.481 1.162 25010 1547 1 4 . 1 1 501 501 TYR H H 501 7.259 7.259 7.232 0.027 25010 1548 1 4 . 1 1 502 502 TRP N N 502 119.304 119.304 121.551 -2.247 25010 1549 1 4 . 1 1 502 502 TRP HA H 502 5.351 5.351 5.000 0.351 25010 1550 1 4 . 1 1 502 502 TRP CA C 502 55.377 55.377 54.531 0.846 25010 1551 1 4 . 1 1 502 502 TRP CB C 502 30.599 30.599 31.295 -0.696 25010 1552 1 4 . 1 1 502 502 TRP H H 502 8.399 8.399 8.514 -0.115 25010 1553 1 4 . 1 1 503 503 PHE N N 503 119.216 119.216 116.628 2.588 25010 1554 1 4 . 1 1 503 503 PHE HA H 503 5.382 5.382 5.874 -0.492 25010 1555 1 4 . 1 1 503 503 PHE CA C 503 54.961 54.961 55.363 -0.402 25010 1556 1 4 . 1 1 503 503 PHE CB C 503 41.607 41.607 42.067 -0.460 25010 1557 1 4 . 1 1 503 503 PHE H H 503 8.840 8.840 8.077 0.763 25010 1558 1 4 . 1 1 504 504 LYS N N 504 120.145 120.145 123.418 -3.273 25010 1559 1 4 . 1 1 504 504 LYS HA H 504 4.887 4.887 4.713 0.174 25010 1560 1 4 . 1 1 504 504 LYS CA C 504 55.586 55.586 54.284 1.302 25010 1561 1 4 . 1 1 504 504 LYS CB C 504 36.415 36.415 35.777 0.638 25010 1562 1 4 . 1 1 504 504 LYS H H 504 8.870 8.870 9.332 -0.462 25010 1563 1 4 . 1 1 505 505 LYS N N 505 126.170 126.170 127.222 -1.052 25010 1564 1 4 . 1 1 505 505 LYS HA H 505 4.901 4.901 4.721 0.180 25010 1565 1 4 . 1 1 505 505 LYS CA C 505 55.352 55.352 55.835 -0.483 25010 1566 1 4 . 1 1 505 505 LYS CB C 505 34.907 34.907 33.704 1.203 25010 1567 1 4 . 1 1 505 505 LYS H H 505 8.838 8.838 8.824 0.014 25010 1568 1 4 . 1 1 506 506 ASP N N 506 125.883 125.883 128.864 -2.981 25010 1569 1 4 . 1 1 506 506 ASP HA H 506 4.839 4.839 4.910 -0.071 25010 1570 1 4 . 1 1 506 506 ASP CA C 506 52.564 52.564 53.908 -1.344 25010 1571 1 4 . 1 1 506 506 ASP CB C 506 41.961 41.961 41.710 0.251 25010 1572 1 4 . 1 1 506 506 ASP H H 506 8.947 8.947 8.849 0.098 25010 1573 1 4 . 1 1 507 507 GLY N N 507 114.432 114.432 111.684 2.748 25010 1574 1 4 . 1 1 507 507 GLY CA C 507 47.615 47.615 46.532 1.083 25010 1575 1 4 . 1 1 507 507 GLY H H 507 9.004 9.004 8.388 0.616 25010 1576 1 4 . 1 1 508 508 GLN N N 508 128.557 128.557 124.175 4.382 25010 1577 1 4 . 1 1 508 508 GLN HA H 508 4.119 4.119 4.229 -0.110 25010 1578 1 4 . 1 1 508 508 GLN CA C 508 57.237 57.237 56.299 0.938 25010 1579 1 4 . 1 1 508 508 GLN CB C 508 29.867 29.867 29.453 0.414 25010 1580 1 4 . 1 1 508 508 GLN H H 508 9.448 9.448 8.498 0.950 25010 1581 1 4 . 1 1 509 509 ARG N N 509 120.332 120.332 120.169 0.163 25010 1582 1 4 . 1 1 509 509 ARG HA H 509 4.986 4.986 4.684 0.302 25010 1583 1 4 . 1 1 509 509 ARG CA C 509 56.146 56.146 55.519 0.627 25010 1584 1 4 . 1 1 509 509 ARG CB C 509 32.012 32.012 32.584 -0.572 25010 1585 1 4 . 1 1 509 509 ARG H H 509 8.215 8.215 7.484 0.731 25010 1586 1 4 . 1 1 510 510 HIS N N 510 122.773 122.773 122.161 0.612 25010 1587 1 4 . 1 1 510 510 HIS HA H 510 5.136 5.136 5.680 -0.544 25010 1588 1 4 . 1 1 510 510 HIS CA C 510 56.449 56.449 54.926 1.523 25010 1589 1 4 . 1 1 510 510 HIS CB C 510 35.290 35.290 32.532 2.758 25010 1590 1 4 . 1 1 510 510 HIS H H 510 8.786 8.786 9.323 -0.537 25010 1591 1 4 . 1 1 511 511 HIS N N 511 119.128 119.128 124.617 -5.489 25010 1592 1 4 . 1 1 511 511 HIS HA H 511 6.075 6.075 5.445 0.630 25010 1593 1 4 . 1 1 511 511 HIS CA C 511 53.818 53.818 55.223 -1.405 25010 1594 1 4 . 1 1 511 511 HIS CB C 511 33.422 33.422 31.946 1.476 25010 1595 1 4 . 1 1 511 511 HIS H H 511 9.269 9.269 9.636 -0.367 25010 1596 1 4 . 1 1 512 512 LEU N N 512 125.504 125.504 128.213 -2.709 25010 1597 1 4 . 1 1 512 512 LEU HA H 512 4.384 4.384 4.964 -0.580 25010 1598 1 4 . 1 1 512 512 LEU CA C 512 54.196 54.196 53.730 0.466 25010 1599 1 4 . 1 1 512 512 LEU CB C 512 42.275 42.275 43.362 -1.087 25010 1600 1 4 . 1 1 512 512 LEU H H 512 8.345 8.345 9.223 -0.878 25010 1601 1 4 . 1 1 513 513 ILE N N 513 127.867 127.867 129.159 -1.292 25010 1602 1 4 . 1 1 513 513 ILE HA H 513 4.907 4.907 4.278 0.629 25010 1603 1 4 . 1 1 513 513 ILE CA C 513 59.524 59.524 60.500 -0.976 25010 1604 1 4 . 1 1 513 513 ILE CB C 513 40.044 40.044 38.632 1.412 25010 1605 1 4 . 1 1 513 513 ILE H H 513 8.776 8.776 9.545 -0.769 25010 1606 1 4 . 1 1 514 514 ILE N N 514 125.882 125.882 129.301 -3.419 25010 1607 1 4 . 1 1 514 514 ILE HA H 514 4.354 4.354 4.071 0.283 25010 1608 1 4 . 1 1 514 514 ILE CA C 514 60.058 60.058 61.257 -1.199 25010 1609 1 4 . 1 1 514 514 ILE CB C 514 39.802 39.802 37.471 2.331 25010 1610 1 4 . 1 1 514 514 ILE H H 514 8.777 8.777 8.902 -0.125 25010 1611 1 4 . 1 1 515 515 ASN N N 515 124.270 124.270 126.140 -1.870 25010 1612 1 4 . 1 1 515 515 ASN HA H 515 4.277 4.277 4.452 -0.175 25010 1613 1 4 . 1 1 515 515 ASN CA C 515 57.166 57.166 55.452 1.714 25010 1614 1 4 . 1 1 515 515 ASN CB C 515 38.944 38.944 38.847 0.097 25010 1615 1 4 . 1 1 515 515 ASN H H 515 8.068 8.068 8.250 -0.182 25010 1616 1 4 . 1 1 516 516 GLU N N 516 117.624 117.624 118.358 -0.734 25010 1617 1 4 . 1 1 516 516 GLU HA H 516 3.841 3.841 4.394 -0.553 25010 1618 1 4 . 1 1 516 516 GLU CA C 516 55.032 55.032 55.215 -0.183 25010 1619 1 4 . 1 1 516 516 GLU CB C 516 31.030 31.030 31.256 -0.226 25010 1620 1 4 . 1 1 516 516 GLU H H 516 8.320 8.320 7.394 0.926 25010 1621 1 4 . 1 1 517 517 ALA N N 517 125.884 125.884 129.477 -3.593 25010 1622 1 4 . 1 1 517 517 ALA HA H 517 4.186 4.186 4.192 -0.006 25010 1623 1 4 . 1 1 517 517 ALA CA C 517 53.726 53.726 53.141 0.585 25010 1624 1 4 . 1 1 517 517 ALA CB C 517 18.902 18.902 19.506 -0.604 25010 1625 1 4 . 1 1 517 517 ALA H H 517 8.735 8.735 8.506 0.229 25010 1626 1 4 . 1 1 518 518 MET N N 518 123.090 123.090 123.287 -0.197 25010 1627 1 4 . 1 1 518 518 MET HA H 518 4.888 4.888 4.741 0.147 25010 1628 1 4 . 1 1 518 518 MET CA C 518 53.006 53.006 52.972 0.034 25010 1629 1 4 . 1 1 518 518 MET CB C 518 36.535 36.535 35.194 1.341 25010 1630 1 4 . 1 1 518 518 MET H H 518 9.831 9.831 9.495 0.336 25010 1631 1 4 . 1 1 519 519 LEU N N 519 123.171 123.171 123.409 -0.238 25010 1632 1 4 . 1 1 519 519 LEU HA H 519 3.846 3.846 4.084 -0.238 25010 1633 1 4 . 1 1 519 519 LEU CA C 519 59.407 59.407 58.337 1.070 25010 1634 1 4 . 1 1 519 519 LEU CB C 519 40.967 40.967 40.959 0.008 25010 1635 1 4 . 1 1 519 519 LEU H H 519 9.108 9.108 8.654 0.454 25010 1636 1 4 . 1 1 520 520 GLU N N 520 115.409 115.409 118.782 -3.373 25010 1637 1 4 . 1 1 520 520 GLU HA H 520 4.257 4.257 4.057 0.200 25010 1638 1 4 . 1 1 520 520 GLU CA C 520 58.537 58.537 59.314 -0.777 25010 1639 1 4 . 1 1 520 520 GLU CB C 520 28.123 28.123 28.739 -0.616 25010 1640 1 4 . 1 1 520 520 GLU H H 520 9.118 9.118 8.842 0.276 25010 1641 1 4 . 1 1 521 521 ASP N N 521 117.154 117.154 119.034 -1.880 25010 1642 1 4 . 1 1 521 521 ASP HA H 521 4.692 4.692 4.681 0.011 25010 1643 1 4 . 1 1 521 521 ASP CA C 521 56.134 56.134 56.307 -0.173 25010 1644 1 4 . 1 1 521 521 ASP CB C 521 41.053 41.053 40.617 0.436 25010 1645 1 4 . 1 1 521 521 ASP H H 521 8.114 8.114 7.851 0.263 25010 1646 1 4 . 1 1 522 522 ALA N N 522 123.368 123.368 120.851 2.517 25010 1647 1 4 . 1 1 522 522 ALA HA H 522 4.159 4.159 4.308 -0.149 25010 1648 1 4 . 1 1 522 522 ALA CA C 522 53.689 53.689 53.090 0.598 25010 1649 1 4 . 1 1 522 522 ALA CB C 522 19.915 19.915 19.256 0.659 25010 1650 1 4 . 1 1 522 522 ALA H H 522 7.572 7.572 7.330 0.242 25010 1651 1 4 . 1 1 523 523 GLY N N 523 107.946 107.946 106.162 1.784 25010 1652 1 4 . 1 1 523 523 GLY CA C 523 45.093 45.093 44.924 0.169 25010 1653 1 4 . 1 1 523 523 GLY H H 523 8.509 8.509 7.553 0.956 25010 1654 1 4 . 1 1 524 524 HIS N N 524 119.840 119.840 121.331 -1.491 25010 1655 1 4 . 1 1 524 524 HIS HA H 524 5.290 5.290 4.328 0.962 25010 1656 1 4 . 1 1 524 524 HIS CA C 524 56.034 56.034 54.868 1.166 25010 1657 1 4 . 1 1 524 524 HIS CB C 524 30.145 30.145 29.619 0.526 25010 1658 1 4 . 1 1 524 524 HIS H H 524 9.142 9.142 7.914 1.228 25010 1659 1 4 . 1 1 525 525 TYR N N 525 127.518 127.518 122.438 5.080 25010 1660 1 4 . 1 1 525 525 TYR HA H 525 5.218 5.218 5.011 0.207 25010 1661 1 4 . 1 1 525 525 TYR CA C 525 57.358 57.358 57.844 -0.486 25010 1662 1 4 . 1 1 525 525 TYR CB C 525 40.926 40.926 40.340 0.586 25010 1663 1 4 . 1 1 525 525 TYR H H 525 9.590 9.590 8.533 1.057 25010 1664 1 4 . 1 1 526 526 ALA N N 526 121.840 121.840 122.197 -0.357 25010 1665 1 4 . 1 1 526 526 ALA HA H 526 5.608 5.608 5.045 0.563 25010 1666 1 4 . 1 1 526 526 ALA CA C 526 49.627 49.627 50.383 -0.756 25010 1667 1 4 . 1 1 526 526 ALA CB C 526 24.176 24.176 22.817 1.359 25010 1668 1 4 . 1 1 526 526 ALA H H 526 9.116 9.116 9.464 -0.348 25010 1669 1 4 . 1 1 527 527 LEU N N 527 121.819 121.819 123.890 -2.071 25010 1670 1 4 . 1 1 527 527 LEU HA H 527 4.564 4.564 4.663 -0.099 25010 1671 1 4 . 1 1 527 527 LEU CA C 527 53.112 53.112 53.626 -0.514 25010 1672 1 4 . 1 1 527 527 LEU CB C 527 42.995 42.995 44.190 -1.195 25010 1673 1 4 . 1 1 527 527 LEU H H 527 8.177 8.177 8.949 -0.772 25010 1674 1 4 . 1 1 528 528 CYS N N 528 122.918 122.918 128.598 -5.680 25010 1675 1 4 . 1 1 528 528 CYS HA H 528 4.995 4.995 5.052 -0.057 25010 1676 1 4 . 1 1 528 528 CYS CA C 528 57.302 57.302 56.094 1.208 25010 1677 1 4 . 1 1 528 528 CYS CB C 528 29.928 29.928 29.969 -0.041 25010 1678 1 4 . 1 1 528 528 CYS H H 528 8.991 8.991 9.113 -0.122 25010 1679 1 4 . 1 1 529 529 THR N N 529 116.311 116.311 119.403 -3.092 25010 1680 1 4 . 1 1 529 529 THR HA H 529 4.717 4.717 4.778 -0.061 25010 1681 1 4 . 1 1 529 529 THR CA C 529 59.605 59.605 59.476 0.129 25010 1682 1 4 . 1 1 529 529 THR CB C 529 71.228 71.228 70.961 0.267 25010 1683 1 4 . 1 1 529 529 THR H H 529 8.688 8.688 8.826 -0.138 25010 1684 1 4 . 1 1 530 530 SER N N 530 115.043 115.043 115.171 -0.128 25010 1685 1 4 . 1 1 530 530 SER HA H 530 4.284 4.284 4.323 -0.039 25010 1686 1 4 . 1 1 530 530 SER CA C 530 59.975 59.975 59.804 0.171 25010 1687 1 4 . 1 1 530 530 SER CB C 530 62.698 62.698 63.076 -0.378 25010 1688 1 4 . 1 1 530 530 SER H H 530 9.371 9.371 8.669 0.702 25010 1689 1 4 . 1 1 531 531 GLY N N 531 108.631 108.631 108.808 -0.177 25010 1690 1 4 . 1 1 531 531 GLY CA C 531 45.295 45.295 45.032 0.263 25010 1691 1 4 . 1 1 531 531 GLY H H 531 8.173 8.173 7.424 0.749 25010 1692 1 4 . 1 1 532 532 GLY N N 532 109.029 109.029 108.486 0.543 25010 1693 1 4 . 1 1 532 532 GLY CA C 532 45.389 45.389 43.904 1.485 25010 1694 1 4 . 1 1 532 532 GLY H H 532 7.540 7.540 8.175 -0.635 25010 1695 1 4 . 1 1 533 533 GLN N N 533 116.724 116.724 121.290 -4.566 25010 1696 1 4 . 1 1 533 533 GLN HA H 533 5.357 5.357 4.961 0.396 25010 1697 1 4 . 1 1 533 533 GLN CA C 533 54.682 54.682 54.747 -0.065 25010 1698 1 4 . 1 1 533 533 GLN CB C 533 32.353 32.353 31.882 0.471 25010 1699 1 4 . 1 1 533 533 GLN H H 533 8.309 8.309 8.377 -0.068 25010 1700 1 4 . 1 1 534 534 ALA N N 534 126.868 126.868 131.381 -4.513 25010 1701 1 4 . 1 1 534 534 ALA HA H 534 4.870 4.870 4.790 0.080 25010 1702 1 4 . 1 1 534 534 ALA CA C 534 50.764 50.764 50.885 -0.121 25010 1703 1 4 . 1 1 534 534 ALA CB C 534 22.046 22.046 21.102 0.944 25010 1704 1 4 . 1 1 534 534 ALA H H 534 8.876 8.876 9.128 -0.252 25010 1705 1 4 . 1 1 535 535 LEU N N 535 122.735 122.735 124.506 -1.771 25010 1706 1 4 . 1 1 535 535 LEU HA H 535 5.401 5.401 4.669 0.732 25010 1707 1 4 . 1 1 535 535 LEU CA C 535 54.530 54.530 54.269 0.261 25010 1708 1 4 . 1 1 535 535 LEU CB C 535 46.423 46.423 44.700 1.723 25010 1709 1 4 . 1 1 535 535 LEU H H 535 8.445 8.445 8.585 -0.140 25010 1710 1 4 . 1 1 536 536 ALA N N 536 125.503 125.503 129.435 -3.932 25010 1711 1 4 . 1 1 536 536 ALA HA H 536 4.758 4.758 4.699 0.059 25010 1712 1 4 . 1 1 536 536 ALA CA C 536 51.975 51.975 51.200 0.775 25010 1713 1 4 . 1 1 536 536 ALA CB C 536 24.534 24.534 21.439 3.095 25010 1714 1 4 . 1 1 536 536 ALA H H 536 9.375 9.375 8.051 1.324 25010 1715 1 4 . 1 1 537 537 GLU N N 537 121.939 121.939 121.055 0.884 25010 1716 1 4 . 1 1 537 537 GLU HA H 537 4.942 4.942 3.810 1.132 25010 1717 1 4 . 1 1 537 537 GLU CA C 537 55.059 55.059 54.928 0.131 25010 1718 1 4 . 1 1 537 537 GLU CB C 537 31.991 31.991 29.617 2.374 25010 1719 1 4 . 1 1 537 537 GLU H H 537 9.320 9.320 8.267 1.053 25010 1720 1 4 . 1 1 538 538 LEU N N 538 125.030 125.030 126.028 -0.998 25010 1721 1 4 . 1 1 538 538 LEU HA H 538 5.372 5.372 4.669 0.703 25010 1722 1 4 . 1 1 538 538 LEU CA C 538 53.663 53.663 54.142 -0.478 25010 1723 1 4 . 1 1 538 538 LEU CB C 538 45.180 45.180 44.736 0.444 25010 1724 1 4 . 1 1 538 538 LEU H H 538 9.306 9.306 7.998 1.308 25010 1725 1 4 . 1 1 539 539 ILE N N 539 130.825 130.825 125.894 4.931 25010 1726 1 4 . 1 1 539 539 ILE HA H 539 4.304 4.304 4.369 -0.065 25010 1727 1 4 . 1 1 539 539 ILE CA C 539 61.221 61.221 60.622 0.599 25010 1728 1 4 . 1 1 539 539 ILE CB C 539 39.938 39.938 39.787 0.151 25010 1729 1 4 . 1 1 539 539 ILE H H 539 8.908 8.908 8.585 0.323 25010 1730 1 4 . 1 1 540 540 VAL N N 540 125.447 125.447 127.884 -2.437 25010 1731 1 4 . 1 1 540 540 VAL HA H 540 4.806 4.806 4.697 0.109 25010 1732 1 4 . 1 1 540 540 VAL CA C 540 60.340 60.340 60.966 -0.626 25010 1733 1 4 . 1 1 540 540 VAL CB C 540 33.794 33.794 32.420 1.374 25010 1734 1 4 . 1 1 540 540 VAL H H 540 7.890 7.890 8.635 -0.745 25010 1735 1 4 . 1 1 541 541 GLN N N 541 126.060 126.060 128.401 -2.341 25010 1736 1 4 . 1 1 541 541 GLN HA H 541 4.652 4.652 4.448 0.204 25010 1737 1 4 . 1 1 541 541 GLN CA C 541 54.441 54.441 55.059 -0.618 25010 1738 1 4 . 1 1 541 541 GLN CB C 541 30.994 30.994 30.094 0.900 25010 1739 1 4 . 1 1 541 541 GLN H H 541 9.089 9.089 8.147 0.942 25010 1740 1 4 . 1 1 542 542 GLU N N 542 122.213 122.213 123.407 -1.194 25010 1741 1 4 . 1 1 542 542 GLU HA H 542 4.340 4.340 4.375 -0.035 25010 1742 1 4 . 1 1 542 542 GLU CA C 542 57.168 57.168 56.287 0.881 25010 1743 1 4 . 1 1 542 542 GLU CB C 542 32.061 32.061 30.652 1.409 25010 1744 1 4 . 1 1 542 542 GLU H H 542 8.763 8.763 8.527 0.236 25010 1745 1 5 . 1 1 451 451 HIS HA H 451 4.666 4.666 4.761 -0.095 25010 1746 1 5 . 1 1 451 451 HIS CA C 451 56.039 56.039 55.750 0.289 25010 1747 1 5 . 1 1 451 451 HIS CB C 451 30.388 30.388 30.571 -0.183 25010 1748 1 5 . 1 1 452 452 MET N N 452 123.092 123.092 120.830 2.262 25010 1749 1 5 . 1 1 452 452 MET CB C 452 32.012 32.012 31.906 0.106 25010 1750 1 5 . 1 1 452 452 MET H H 452 8.328 8.328 7.793 0.535 25010 1751 1 5 . 1 1 453 453 PRO HA H 453 4.316 4.316 4.350 -0.034 25010 1752 1 5 . 1 1 453 453 PRO CA C 453 62.807 62.807 62.260 0.547 25010 1753 1 5 . 1 1 453 453 PRO CB C 453 32.230 32.230 32.205 0.025 25010 1754 1 5 . 1 1 454 454 VAL N N 454 122.113 122.113 120.339 1.774 25010 1755 1 5 . 1 1 454 454 VAL HA H 454 3.762 3.762 3.890 -0.128 25010 1756 1 5 . 1 1 454 454 VAL CA C 454 63.093 63.093 63.022 0.071 25010 1757 1 5 . 1 1 454 454 VAL CB C 454 32.192 32.192 30.847 1.345 25010 1758 1 5 . 1 1 454 454 VAL H H 454 7.806 7.806 8.305 -0.499 25010 1759 1 5 . 1 1 455 455 LEU N N 455 129.322 129.322 128.978 0.344 25010 1760 1 5 . 1 1 455 455 LEU HA H 455 4.459 4.459 4.589 -0.130 25010 1761 1 5 . 1 1 455 455 LEU CA C 455 53.133 53.133 53.956 -0.823 25010 1762 1 5 . 1 1 455 455 LEU CB C 455 43.699 43.699 43.648 0.051 25010 1763 1 5 . 1 1 455 455 LEU H H 455 8.586 8.586 7.849 0.737 25010 1764 1 5 . 1 1 456 456 ILE N N 456 120.924 120.924 120.669 0.255 25010 1765 1 5 . 1 1 456 456 ILE HA H 456 4.259 4.259 4.657 -0.398 25010 1766 1 5 . 1 1 456 456 ILE CA C 456 60.937 60.937 59.703 1.234 25010 1767 1 5 . 1 1 456 456 ILE CB C 456 36.860 36.860 37.297 -0.437 25010 1768 1 5 . 1 1 456 456 ILE H H 456 8.519 8.519 8.204 0.315 25010 1769 1 5 . 1 1 457 457 THR N N 457 120.896 120.896 122.740 -1.844 25010 1770 1 5 . 1 1 457 457 THR HA H 457 4.297 4.297 4.246 0.051 25010 1771 1 5 . 1 1 457 457 THR CA C 457 62.783 62.783 62.314 0.469 25010 1772 1 5 . 1 1 457 457 THR CB C 457 67.927 67.927 69.012 -1.085 25010 1773 1 5 . 1 1 457 457 THR H H 457 8.671 8.671 8.988 -0.317 25010 1774 1 5 . 1 1 458 458 ARG N N 458 122.706 122.706 121.462 1.244 25010 1775 1 5 . 1 1 458 458 ARG HA H 458 4.931 4.931 4.865 0.066 25010 1776 1 5 . 1 1 458 458 ARG CA C 458 53.816 53.816 52.272 1.544 25010 1777 1 5 . 1 1 458 458 ARG CB C 458 32.443 32.443 31.223 1.220 25010 1778 1 5 . 1 1 458 458 ARG H H 458 7.576 7.576 7.666 -0.090 25010 1779 1 5 . 1 1 459 459 PRO HA H 459 4.315 4.315 4.473 -0.158 25010 1780 1 5 . 1 1 459 459 PRO CA C 459 62.763 62.763 62.503 0.260 25010 1781 1 5 . 1 1 459 459 PRO CB C 459 32.644 32.644 32.340 0.304 25010 1782 1 5 . 1 1 460 460 LEU N N 460 115.406 115.406 121.509 -6.103 25010 1783 1 5 . 1 1 460 460 LEU HA H 460 4.575 4.575 4.539 0.036 25010 1784 1 5 . 1 1 460 460 LEU CA C 460 55.114 55.114 53.932 1.182 25010 1785 1 5 . 1 1 460 460 LEU CB C 460 45.383 45.383 41.987 3.396 25010 1786 1 5 . 1 1 460 460 LEU H H 460 6.134 6.134 8.157 -2.023 25010 1787 1 5 . 1 1 461 461 GLU N N 461 120.629 120.629 122.078 -1.449 25010 1788 1 5 . 1 1 461 461 GLU HA H 461 4.826 4.826 4.368 0.458 25010 1789 1 5 . 1 1 461 461 GLU CA C 461 54.846 54.846 56.251 -1.405 25010 1790 1 5 . 1 1 461 461 GLU CB C 461 32.513 32.513 30.114 2.399 25010 1791 1 5 . 1 1 461 461 GLU H H 461 8.409 8.409 8.556 -0.147 25010 1792 1 5 . 1 1 462 462 ASP N N 462 122.487 122.487 122.157 0.330 25010 1793 1 5 . 1 1 462 462 ASP HA H 462 5.043 5.043 4.550 0.493 25010 1794 1 5 . 1 1 462 462 ASP CA C 462 55.551 55.551 54.357 1.194 25010 1795 1 5 . 1 1 462 462 ASP CB C 462 41.180 41.180 41.265 -0.085 25010 1796 1 5 . 1 1 462 462 ASP H H 462 8.603 8.603 8.708 -0.105 25010 1797 1 5 . 1 1 463 463 GLN N N 463 117.119 117.119 120.023 -2.904 25010 1798 1 5 . 1 1 463 463 GLN HA H 463 4.687 4.687 4.363 0.324 25010 1799 1 5 . 1 1 463 463 GLN CA C 463 54.383 54.383 55.415 -1.032 25010 1800 1 5 . 1 1 463 463 GLN CB C 463 33.212 33.212 29.248 3.964 25010 1801 1 5 . 1 1 463 463 GLN H H 463 8.785 8.785 7.855 0.930 25010 1802 1 5 . 1 1 464 464 LEU N N 464 127.523 127.523 124.061 3.462 25010 1803 1 5 . 1 1 464 464 LEU HA H 464 5.337 5.337 4.618 0.719 25010 1804 1 5 . 1 1 464 464 LEU CA C 464 54.511 54.511 54.473 0.038 25010 1805 1 5 . 1 1 464 464 LEU CB C 464 44.048 44.048 43.002 1.046 25010 1806 1 5 . 1 1 464 464 LEU H H 464 8.420 8.420 8.399 0.021 25010 1807 1 5 . 1 1 465 465 VAL N N 465 119.244 119.244 121.777 -2.533 25010 1808 1 5 . 1 1 465 465 VAL HA H 465 4.796 4.796 4.879 -0.083 25010 1809 1 5 . 1 1 465 465 VAL CA C 465 58.546 58.546 59.397 -0.851 25010 1810 1 5 . 1 1 465 465 VAL CB C 465 36.136 36.136 35.586 0.550 25010 1811 1 5 . 1 1 465 465 VAL H H 465 8.730 8.730 9.210 -0.480 25010 1812 1 5 . 1 1 466 466 MET N N 466 119.234 119.234 115.014 4.220 25010 1813 1 5 . 1 1 466 466 MET HA H 466 5.269 5.269 5.223 0.046 25010 1814 1 5 . 1 1 466 466 MET CA C 466 52.842 52.842 53.917 -1.075 25010 1815 1 5 . 1 1 466 466 MET CB C 466 33.563 33.563 35.783 -2.220 25010 1816 1 5 . 1 1 466 466 MET H H 466 8.099 8.099 9.369 -1.270 25010 1817 1 5 . 1 1 467 467 VAL N N 467 119.519 119.519 121.337 -1.818 25010 1818 1 5 . 1 1 467 467 VAL HA H 467 3.457 3.457 3.919 -0.462 25010 1819 1 5 . 1 1 467 467 VAL CA C 467 64.434 64.434 64.025 0.409 25010 1820 1 5 . 1 1 467 467 VAL CB C 467 32.220 32.220 30.566 1.654 25010 1821 1 5 . 1 1 467 467 VAL H H 467 7.917 7.917 8.146 -0.229 25010 1822 1 5 . 1 1 468 468 GLY N N 468 115.365 115.365 116.787 -1.422 25010 1823 1 5 . 1 1 468 468 GLY CA C 468 44.814 44.814 44.798 0.016 25010 1824 1 5 . 1 1 468 468 GLY H H 468 9.845 9.845 8.837 1.008 25010 1825 1 5 . 1 1 469 469 GLN N N 469 120.329 120.329 121.003 -0.674 25010 1826 1 5 . 1 1 469 469 GLN HA H 469 4.433 4.433 4.290 0.143 25010 1827 1 5 . 1 1 469 469 GLN CA C 469 55.841 55.841 55.320 0.521 25010 1828 1 5 . 1 1 469 469 GLN CB C 469 30.198 30.198 30.054 0.144 25010 1829 1 5 . 1 1 469 469 GLN H H 469 7.984 7.984 7.683 0.301 25010 1830 1 5 . 1 1 470 470 ARG N N 470 122.940 122.940 127.737 -4.797 25010 1831 1 5 . 1 1 470 470 ARG HA H 470 4.603 4.603 4.558 0.045 25010 1832 1 5 . 1 1 470 470 ARG CA C 470 55.873 55.873 56.794 -0.920 25010 1833 1 5 . 1 1 470 470 ARG CB C 470 31.614 31.614 30.602 1.012 25010 1834 1 5 . 1 1 470 470 ARG H H 470 8.138 8.138 8.591 -0.453 25010 1835 1 5 . 1 1 471 471 VAL N N 471 127.100 127.100 127.104 -0.004 25010 1836 1 5 . 1 1 471 471 VAL HA H 471 4.135 4.135 4.203 -0.068 25010 1837 1 5 . 1 1 471 471 VAL CA C 471 60.424 60.424 60.642 -0.219 25010 1838 1 5 . 1 1 471 471 VAL CB C 471 34.725 34.725 34.808 -0.083 25010 1839 1 5 . 1 1 471 471 VAL H H 471 8.869 8.869 8.289 0.580 25010 1840 1 5 . 1 1 472 472 GLU N N 472 126.220 126.220 125.933 0.287 25010 1841 1 5 . 1 1 472 472 GLU HA H 472 5.096 5.096 4.651 0.445 25010 1842 1 5 . 1 1 472 472 GLU CA C 472 54.644 54.644 55.292 -0.648 25010 1843 1 5 . 1 1 472 472 GLU CB C 472 32.890 32.890 31.491 1.399 25010 1844 1 5 . 1 1 472 472 GLU H H 472 8.601 8.601 8.460 0.141 25010 1845 1 5 . 1 1 473 473 PHE N N 473 125.641 125.641 124.938 0.703 25010 1846 1 5 . 1 1 473 473 PHE HA H 473 4.747 4.747 4.720 0.027 25010 1847 1 5 . 1 1 473 473 PHE CA C 473 57.513 57.513 56.499 1.014 25010 1848 1 5 . 1 1 473 473 PHE CB C 473 41.975 41.975 40.247 1.728 25010 1849 1 5 . 1 1 473 473 PHE H H 473 9.275 9.275 9.139 0.136 25010 1850 1 5 . 1 1 474 474 GLU N N 474 120.663 120.663 124.639 -3.976 25010 1851 1 5 . 1 1 474 474 GLU HA H 474 5.369 5.369 4.688 0.681 25010 1852 1 5 . 1 1 474 474 GLU CA C 474 54.976 54.976 55.249 -0.273 25010 1853 1 5 . 1 1 474 474 GLU CB C 474 32.849 32.849 32.022 0.827 25010 1854 1 5 . 1 1 474 474 GLU H H 474 8.452 8.452 8.889 -0.437 25010 1855 1 5 . 1 1 475 475 CYS N N 475 121.477 121.477 121.274 0.203 25010 1856 1 5 . 1 1 475 475 CYS HA H 475 4.818 4.818 5.231 -0.413 25010 1857 1 5 . 1 1 475 475 CYS CA C 475 56.706 56.706 56.456 0.250 25010 1858 1 5 . 1 1 475 475 CYS CB C 475 30.937 30.937 29.861 1.075 25010 1859 1 5 . 1 1 475 475 CYS H H 475 9.015 9.015 8.991 0.024 25010 1860 1 5 . 1 1 476 476 GLU N N 476 123.383 123.383 124.817 -1.434 25010 1861 1 5 . 1 1 476 476 GLU HA H 476 5.522 5.522 4.662 0.860 25010 1862 1 5 . 1 1 476 476 GLU CA C 476 55.076 55.076 54.806 0.270 25010 1863 1 5 . 1 1 476 476 GLU CB C 476 33.796 33.796 31.304 2.492 25010 1864 1 5 . 1 1 476 476 GLU H H 476 8.574 8.574 8.479 0.095 25010 1865 1 5 . 1 1 477 477 VAL N N 477 116.481 116.481 119.298 -2.817 25010 1866 1 5 . 1 1 477 477 VAL HA H 477 5.430 5.430 4.944 0.486 25010 1867 1 5 . 1 1 477 477 VAL CA C 477 58.827 58.827 60.254 -1.427 25010 1868 1 5 . 1 1 477 477 VAL CB C 477 34.087 34.087 32.930 1.157 25010 1869 1 5 . 1 1 477 477 VAL H H 477 8.739 8.739 8.296 0.443 25010 1870 1 5 . 1 1 478 478 SER N N 478 111.234 111.234 117.572 -6.338 25010 1871 1 5 . 1 1 478 478 SER HA H 478 4.072 4.072 4.422 -0.350 25010 1872 1 5 . 1 1 478 478 SER CA C 478 60.984 60.984 59.555 1.429 25010 1873 1 5 . 1 1 478 478 SER CB C 478 63.568 63.568 63.943 -0.375 25010 1874 1 5 . 1 1 478 478 SER H H 478 8.779 8.779 8.792 -0.013 25010 1875 1 5 . 1 1 479 479 GLU N N 479 116.983 116.983 120.507 -3.524 25010 1876 1 5 . 1 1 479 479 GLU HA H 479 4.872 4.872 4.504 0.368 25010 1877 1 5 . 1 1 479 479 GLU CA C 479 54.615 54.615 55.178 -0.562 25010 1878 1 5 . 1 1 479 479 GLU CB C 479 33.654 33.654 32.125 1.529 25010 1879 1 5 . 1 1 479 479 GLU H H 479 6.800 6.800 7.891 -1.091 25010 1880 1 5 . 1 1 480 480 GLU N N 480 124.422 124.422 126.651 -2.229 25010 1881 1 5 . 1 1 480 480 GLU HA H 480 4.405 4.405 4.267 0.138 25010 1882 1 5 . 1 1 480 480 GLU CA C 480 57.861 57.861 57.031 0.830 25010 1883 1 5 . 1 1 480 480 GLU CB C 480 29.787 29.787 30.265 -0.478 25010 1884 1 5 . 1 1 480 480 GLU H H 480 9.243 9.243 8.811 0.432 25010 1885 1 5 . 1 1 481 481 GLY CA C 481 45.916 45.916 45.063 0.853 25010 1886 1 5 . 1 1 482 482 ALA N N 482 121.277 121.277 123.472 -2.195 25010 1887 1 5 . 1 1 482 482 ALA HA H 482 4.513 4.513 4.469 0.044 25010 1888 1 5 . 1 1 482 482 ALA CA C 482 52.243 52.243 51.406 0.837 25010 1889 1 5 . 1 1 482 482 ALA CB C 482 20.653 20.653 19.563 1.090 25010 1890 1 5 . 1 1 482 482 ALA H H 482 7.449 7.449 7.786 -0.337 25010 1891 1 5 . 1 1 483 483 GLN N N 483 121.318 121.318 123.296 -1.978 25010 1892 1 5 . 1 1 483 483 GLN HA H 483 4.481 4.481 4.480 0.001 25010 1893 1 5 . 1 1 483 483 GLN CA C 483 55.471 55.471 55.106 0.365 25010 1894 1 5 . 1 1 483 483 GLN CB C 483 28.077 28.077 30.194 -2.117 25010 1895 1 5 . 1 1 483 483 GLN H H 483 8.541 8.541 8.380 0.161 25010 1896 1 5 . 1 1 484 484 VAL N N 484 118.395 118.395 113.696 4.699 25010 1897 1 5 . 1 1 484 484 VAL HA H 484 4.919 4.919 4.819 0.100 25010 1898 1 5 . 1 1 484 484 VAL CA C 484 58.491 58.491 59.414 -0.923 25010 1899 1 5 . 1 1 484 484 VAL CB C 484 34.518 34.518 34.474 0.044 25010 1900 1 5 . 1 1 484 484 VAL H H 484 8.283 8.283 7.945 0.338 25010 1901 1 5 . 1 1 485 485 LYS N N 485 119.957 119.957 125.715 -5.758 25010 1902 1 5 . 1 1 485 485 LYS HA H 485 4.594 4.594 4.620 -0.026 25010 1903 1 5 . 1 1 485 485 LYS CA C 485 55.038 55.038 54.715 0.323 25010 1904 1 5 . 1 1 485 485 LYS CB C 485 36.678 36.678 36.300 0.378 25010 1905 1 5 . 1 1 485 485 LYS H H 485 8.039 8.039 8.474 -0.435 25010 1906 1 5 . 1 1 486 486 TRP N N 486 123.677 123.677 125.639 -1.962 25010 1907 1 5 . 1 1 486 486 TRP HA H 486 5.608 5.608 4.925 0.683 25010 1908 1 5 . 1 1 486 486 TRP CA C 486 55.766 55.766 56.234 -0.469 25010 1909 1 5 . 1 1 486 486 TRP CB C 486 32.033 32.033 30.394 1.639 25010 1910 1 5 . 1 1 486 486 TRP H H 486 8.767 8.767 8.697 0.070 25010 1911 1 5 . 1 1 487 487 LEU N N 487 121.292 121.292 125.908 -4.616 25010 1912 1 5 . 1 1 487 487 LEU HA H 487 5.199 5.199 4.829 0.370 25010 1913 1 5 . 1 1 487 487 LEU CA C 487 53.645 53.645 53.824 -0.179 25010 1914 1 5 . 1 1 487 487 LEU CB C 487 46.241 46.241 45.712 0.529 25010 1915 1 5 . 1 1 487 487 LEU H H 487 9.599 9.599 9.244 0.355 25010 1916 1 5 . 1 1 488 488 LYS N N 488 119.097 119.097 128.044 -8.947 25010 1917 1 5 . 1 1 488 488 LYS HA H 488 4.448 4.448 4.708 -0.260 25010 1918 1 5 . 1 1 488 488 LYS CA C 488 55.221 55.221 54.853 0.368 25010 1919 1 5 . 1 1 488 488 LYS CB C 488 35.636 35.636 33.338 2.298 25010 1920 1 5 . 1 1 488 488 LYS H H 488 8.702 8.702 9.140 -0.438 25010 1921 1 5 . 1 1 489 489 ASP N N 489 130.255 130.255 128.251 2.004 25010 1922 1 5 . 1 1 489 489 ASP HA H 489 4.377 4.377 4.343 0.034 25010 1923 1 5 . 1 1 489 489 ASP CA C 489 55.843 55.843 55.811 0.032 25010 1924 1 5 . 1 1 489 489 ASP CB C 489 40.211 40.211 40.242 -0.031 25010 1925 1 5 . 1 1 489 489 ASP H H 489 9.895 9.895 9.389 0.506 25010 1926 1 5 . 1 1 490 490 GLY N N 490 101.682 101.682 103.385 -1.703 25010 1927 1 5 . 1 1 490 490 GLY CA C 490 45.394 45.394 45.058 0.336 25010 1928 1 5 . 1 1 490 490 GLY H H 490 8.673 8.673 8.615 0.058 25010 1929 1 5 . 1 1 491 491 VAL N N 491 123.371 123.371 124.188 -0.817 25010 1930 1 5 . 1 1 491 491 VAL HA H 491 4.197 4.197 4.068 0.129 25010 1931 1 5 . 1 1 491 491 VAL CA C 491 61.597 61.597 62.212 -0.616 25010 1932 1 5 . 1 1 491 491 VAL CB C 491 33.598 33.598 32.589 1.009 25010 1933 1 5 . 1 1 491 491 VAL H H 491 7.954 7.954 7.871 0.083 25010 1934 1 5 . 1 1 492 492 GLU N N 492 127.934 127.934 128.128 -0.194 25010 1935 1 5 . 1 1 492 492 GLU HA H 492 4.410 4.410 4.543 -0.133 25010 1936 1 5 . 1 1 492 492 GLU CA C 492 57.649 57.649 55.344 2.305 25010 1937 1 5 . 1 1 492 492 GLU CB C 492 29.242 29.242 31.005 -1.763 25010 1938 1 5 . 1 1 492 492 GLU H H 492 8.781 8.781 8.683 0.098 25010 1939 1 5 . 1 1 493 493 LEU N N 493 127.787 127.787 126.795 0.992 25010 1940 1 5 . 1 1 493 493 LEU HA H 493 4.591 4.591 4.606 -0.015 25010 1941 1 5 . 1 1 493 493 LEU CA C 493 54.628 54.628 54.937 -0.309 25010 1942 1 5 . 1 1 493 493 LEU CB C 493 41.823 41.823 42.226 -0.403 25010 1943 1 5 . 1 1 493 493 LEU H H 493 8.934 8.934 7.872 1.062 25010 1944 1 5 . 1 1 494 494 THR N N 494 114.564 114.564 115.975 -1.411 25010 1945 1 5 . 1 1 494 494 THR HA H 494 4.238 4.238 4.686 -0.448 25010 1946 1 5 . 1 1 494 494 THR CA C 494 61.209 61.209 61.129 0.080 25010 1947 1 5 . 1 1 494 494 THR CB C 494 70.420 70.420 71.061 -0.641 25010 1948 1 5 . 1 1 494 494 THR H H 494 8.338 8.338 8.231 0.107 25010 1949 1 5 . 1 1 495 495 ARG N N 495 121.286 121.286 124.816 -3.530 25010 1950 1 5 . 1 1 495 495 ARG HA H 495 4.421 4.421 4.265 0.156 25010 1951 1 5 . 1 1 495 495 ARG CA C 495 56.805 56.805 58.901 -2.096 25010 1952 1 5 . 1 1 495 495 ARG CB C 495 30.014 30.014 30.398 -0.384 25010 1953 1 5 . 1 1 495 495 ARG H H 495 8.580 8.580 8.903 -0.323 25010 1954 1 5 . 1 1 496 496 GLU N N 496 120.070 120.070 120.593 -0.523 25010 1955 1 5 . 1 1 496 496 GLU HA H 496 4.341 4.341 4.378 -0.037 25010 1956 1 5 . 1 1 496 496 GLU CA C 496 57.093 57.093 56.429 0.664 25010 1957 1 5 . 1 1 496 496 GLU CB C 496 29.927 29.927 28.422 1.505 25010 1958 1 5 . 1 1 496 496 GLU H H 496 8.304 8.304 8.373 -0.069 25010 1959 1 5 . 1 1 497 497 GLU N N 497 120.611 120.611 121.357 -0.746 25010 1960 1 5 . 1 1 497 497 GLU HA H 497 4.390 4.390 4.691 -0.301 25010 1961 1 5 . 1 1 497 497 GLU CA C 497 56.781 56.781 55.194 1.587 25010 1962 1 5 . 1 1 497 497 GLU CB C 497 29.722 29.722 31.511 -1.789 25010 1963 1 5 . 1 1 497 497 GLU H H 497 8.181 8.181 7.937 0.244 25010 1964 1 5 . 1 1 498 498 THR N N 498 113.761 113.761 115.565 -1.804 25010 1965 1 5 . 1 1 498 498 THR HA H 498 4.519 4.519 4.481 0.038 25010 1966 1 5 . 1 1 498 498 THR CA C 498 61.768 61.768 61.450 0.318 25010 1967 1 5 . 1 1 498 498 THR CB C 498 69.893 69.893 69.593 0.300 25010 1968 1 5 . 1 1 498 498 THR H H 498 8.077 8.077 8.196 -0.119 25010 1969 1 5 . 1 1 499 499 PHE N N 499 119.315 119.315 119.438 -0.123 25010 1970 1 5 . 1 1 499 499 PHE HA H 499 4.571 4.571 4.658 -0.087 25010 1971 1 5 . 1 1 499 499 PHE CA C 499 58.469 58.469 57.360 1.109 25010 1972 1 5 . 1 1 499 499 PHE CB C 499 38.648 38.648 38.203 0.445 25010 1973 1 5 . 1 1 499 499 PHE H H 499 8.089 8.089 8.314 -0.225 25010 1974 1 5 . 1 1 500 500 LYS N N 500 120.851 120.851 120.890 -0.039 25010 1975 1 5 . 1 1 500 500 LYS HA H 500 4.146 4.146 4.063 0.083 25010 1976 1 5 . 1 1 500 500 LYS CA C 500 57.814 57.814 58.420 -0.606 25010 1977 1 5 . 1 1 500 500 LYS CB C 500 33.603 33.603 32.943 0.660 25010 1978 1 5 . 1 1 500 500 LYS H H 500 8.100 8.100 7.634 0.466 25010 1979 1 5 . 1 1 501 501 TYR N N 501 114.551 114.551 113.332 1.219 25010 1980 1 5 . 1 1 501 501 TYR HA H 501 4.782 4.782 5.679 -0.897 25010 1981 1 5 . 1 1 501 501 TYR CA C 501 55.002 55.002 55.242 -0.241 25010 1982 1 5 . 1 1 501 501 TYR CB C 501 41.643 41.643 41.696 -0.053 25010 1983 1 5 . 1 1 501 501 TYR H H 501 7.259 7.259 7.433 -0.174 25010 1984 1 5 . 1 1 502 502 TRP N N 502 119.304 119.304 121.067 -1.763 25010 1985 1 5 . 1 1 502 502 TRP HA H 502 5.351 5.351 5.067 0.284 25010 1986 1 5 . 1 1 502 502 TRP CA C 502 55.377 55.377 56.190 -0.813 25010 1987 1 5 . 1 1 502 502 TRP CB C 502 30.599 30.599 31.863 -1.264 25010 1988 1 5 . 1 1 502 502 TRP H H 502 8.399 8.399 8.685 -0.286 25010 1989 1 5 . 1 1 503 503 PHE N N 503 119.216 119.216 118.786 0.430 25010 1990 1 5 . 1 1 503 503 PHE HA H 503 5.382 5.382 5.450 -0.068 25010 1991 1 5 . 1 1 503 503 PHE CA C 503 54.961 54.961 55.506 -0.545 25010 1992 1 5 . 1 1 503 503 PHE CB C 503 41.607 41.607 42.368 -0.761 25010 1993 1 5 . 1 1 503 503 PHE H H 503 8.840 8.840 8.163 0.677 25010 1994 1 5 . 1 1 504 504 LYS N N 504 120.145 120.145 122.482 -2.337 25010 1995 1 5 . 1 1 504 504 LYS HA H 504 4.887 4.887 4.907 -0.020 25010 1996 1 5 . 1 1 504 504 LYS CA C 504 55.586 55.586 54.711 0.875 25010 1997 1 5 . 1 1 504 504 LYS CB C 504 36.415 36.415 36.404 0.012 25010 1998 1 5 . 1 1 504 504 LYS H H 504 8.870 8.870 9.256 -0.386 25010 1999 1 5 . 1 1 505 505 LYS N N 505 126.170 126.170 123.313 2.857 25010 2000 1 5 . 1 1 505 505 LYS HA H 505 4.901 4.901 5.033 -0.132 25010 2001 1 5 . 1 1 505 505 LYS CA C 505 55.352 55.352 55.057 0.295 25010 2002 1 5 . 1 1 505 505 LYS CB C 505 34.907 34.907 34.083 0.824 25010 2003 1 5 . 1 1 505 505 LYS H H 505 8.838 8.838 8.733 0.105 25010 2004 1 5 . 1 1 506 506 ASP N N 506 125.883 125.883 125.218 0.665 25010 2005 1 5 . 1 1 506 506 ASP HA H 506 4.839 4.839 4.799 0.040 25010 2006 1 5 . 1 1 506 506 ASP CA C 506 52.564 52.564 52.915 -0.351 25010 2007 1 5 . 1 1 506 506 ASP CB C 506 41.961 41.961 41.532 0.428 25010 2008 1 5 . 1 1 506 506 ASP H H 506 8.947 8.947 8.649 0.298 25010 2009 1 5 . 1 1 507 507 GLY N N 507 114.432 114.432 113.981 0.451 25010 2010 1 5 . 1 1 507 507 GLY CA C 507 47.615 47.615 47.154 0.461 25010 2011 1 5 . 1 1 507 507 GLY H H 507 9.004 9.004 8.602 0.402 25010 2012 1 5 . 1 1 508 508 GLN N N 508 128.557 128.557 123.917 4.640 25010 2013 1 5 . 1 1 508 508 GLN HA H 508 4.119 4.119 4.252 -0.133 25010 2014 1 5 . 1 1 508 508 GLN CA C 508 57.237 57.237 56.029 1.208 25010 2015 1 5 . 1 1 508 508 GLN CB C 508 29.867 29.867 29.176 0.691 25010 2016 1 5 . 1 1 508 508 GLN H H 508 9.448 9.448 8.413 1.035 25010 2017 1 5 . 1 1 509 509 ARG N N 509 120.332 120.332 120.188 0.144 25010 2018 1 5 . 1 1 509 509 ARG HA H 509 4.986 4.986 4.446 0.540 25010 2019 1 5 . 1 1 509 509 ARG CA C 509 56.146 56.146 55.761 0.385 25010 2020 1 5 . 1 1 509 509 ARG CB C 509 32.012 32.012 32.456 -0.444 25010 2021 1 5 . 1 1 509 509 ARG H H 509 8.215 8.215 7.778 0.437 25010 2022 1 5 . 1 1 510 510 HIS N N 510 122.773 122.773 121.150 1.623 25010 2023 1 5 . 1 1 510 510 HIS HA H 510 5.136 5.136 5.503 -0.367 25010 2024 1 5 . 1 1 510 510 HIS CA C 510 56.449 56.449 55.518 0.931 25010 2025 1 5 . 1 1 510 510 HIS CB C 510 35.290 35.290 32.103 3.187 25010 2026 1 5 . 1 1 510 510 HIS H H 510 8.786 8.786 9.569 -0.783 25010 2027 1 5 . 1 1 511 511 HIS N N 511 119.128 119.128 123.510 -4.382 25010 2028 1 5 . 1 1 511 511 HIS HA H 511 6.075 6.075 5.231 0.844 25010 2029 1 5 . 1 1 511 511 HIS CA C 511 53.818 53.818 54.877 -1.059 25010 2030 1 5 . 1 1 511 511 HIS CB C 511 33.422 33.422 32.899 0.523 25010 2031 1 5 . 1 1 511 511 HIS H H 511 9.269 9.269 9.762 -0.493 25010 2032 1 5 . 1 1 512 512 LEU N N 512 125.504 125.504 127.024 -1.520 25010 2033 1 5 . 1 1 512 512 LEU HA H 512 4.384 4.384 4.667 -0.283 25010 2034 1 5 . 1 1 512 512 LEU CA C 512 54.196 54.196 53.463 0.733 25010 2035 1 5 . 1 1 512 512 LEU CB C 512 42.275 42.275 44.592 -2.317 25010 2036 1 5 . 1 1 512 512 LEU H H 512 8.345 8.345 9.292 -0.947 25010 2037 1 5 . 1 1 513 513 ILE N N 513 127.867 127.867 128.180 -0.313 25010 2038 1 5 . 1 1 513 513 ILE HA H 513 4.907 4.907 4.087 0.820 25010 2039 1 5 . 1 1 513 513 ILE CA C 513 59.524 59.524 59.919 -0.395 25010 2040 1 5 . 1 1 513 513 ILE CB C 513 40.044 40.044 38.291 1.753 25010 2041 1 5 . 1 1 513 513 ILE H H 513 8.776 8.776 8.851 -0.075 25010 2042 1 5 . 1 1 514 514 ILE N N 514 125.882 125.882 128.418 -2.536 25010 2043 1 5 . 1 1 514 514 ILE HA H 514 4.354 4.354 4.350 0.004 25010 2044 1 5 . 1 1 514 514 ILE CA C 514 60.058 60.058 59.534 0.524 25010 2045 1 5 . 1 1 514 514 ILE CB C 514 39.802 39.802 36.133 3.669 25010 2046 1 5 . 1 1 514 514 ILE H H 514 8.777 8.777 8.679 0.098 25010 2047 1 5 . 1 1 515 515 ASN N N 515 124.270 124.270 126.573 -2.303 25010 2048 1 5 . 1 1 515 515 ASN HA H 515 4.277 4.277 4.597 -0.320 25010 2049 1 5 . 1 1 515 515 ASN CA C 515 57.166 57.166 56.721 0.445 25010 2050 1 5 . 1 1 515 515 ASN CB C 515 38.944 38.944 39.514 -0.570 25010 2051 1 5 . 1 1 515 515 ASN H H 515 8.068 8.068 9.144 -1.076 25010 2052 1 5 . 1 1 516 516 GLU N N 516 117.624 117.624 117.702 -0.078 25010 2053 1 5 . 1 1 516 516 GLU HA H 516 3.841 3.841 4.610 -0.769 25010 2054 1 5 . 1 1 516 516 GLU CA C 516 55.032 55.032 55.583 -0.551 25010 2055 1 5 . 1 1 516 516 GLU CB C 516 31.030 31.030 32.812 -1.782 25010 2056 1 5 . 1 1 516 516 GLU H H 516 8.320 8.320 7.684 0.636 25010 2057 1 5 . 1 1 517 517 ALA N N 517 125.884 125.884 128.696 -2.812 25010 2058 1 5 . 1 1 517 517 ALA HA H 517 4.186 4.186 4.308 -0.122 25010 2059 1 5 . 1 1 517 517 ALA CA C 517 53.726 53.726 52.781 0.945 25010 2060 1 5 . 1 1 517 517 ALA CB C 517 18.902 18.902 20.137 -1.234 25010 2061 1 5 . 1 1 517 517 ALA H H 517 8.735 8.735 8.668 0.067 25010 2062 1 5 . 1 1 518 518 MET N N 518 123.090 123.090 122.422 0.668 25010 2063 1 5 . 1 1 518 518 MET HA H 518 4.888 4.888 4.765 0.123 25010 2064 1 5 . 1 1 518 518 MET CA C 518 53.006 53.006 53.534 -0.528 25010 2065 1 5 . 1 1 518 518 MET CB C 518 36.535 36.535 35.515 1.020 25010 2066 1 5 . 1 1 518 518 MET H H 518 9.831 9.831 9.259 0.572 25010 2067 1 5 . 1 1 519 519 LEU N N 519 123.171 123.171 123.629 -0.458 25010 2068 1 5 . 1 1 519 519 LEU HA H 519 3.846 3.846 3.949 -0.103 25010 2069 1 5 . 1 1 519 519 LEU CA C 519 59.407 59.407 57.868 1.539 25010 2070 1 5 . 1 1 519 519 LEU CB C 519 40.967 40.967 41.298 -0.331 25010 2071 1 5 . 1 1 519 519 LEU H H 519 9.108 9.108 8.842 0.266 25010 2072 1 5 . 1 1 520 520 GLU N N 520 115.409 115.409 119.585 -4.176 25010 2073 1 5 . 1 1 520 520 GLU HA H 520 4.257 4.257 4.013 0.244 25010 2074 1 5 . 1 1 520 520 GLU CA C 520 58.537 58.537 59.077 -0.540 25010 2075 1 5 . 1 1 520 520 GLU CB C 520 28.123 28.123 28.786 -0.663 25010 2076 1 5 . 1 1 520 520 GLU H H 520 9.118 9.118 8.715 0.403 25010 2077 1 5 . 1 1 521 521 ASP N N 521 117.154 117.154 118.720 -1.566 25010 2078 1 5 . 1 1 521 521 ASP HA H 521 4.692 4.692 4.358 0.334 25010 2079 1 5 . 1 1 521 521 ASP CA C 521 56.134 56.134 55.769 0.365 25010 2080 1 5 . 1 1 521 521 ASP CB C 521 41.053 41.053 40.617 0.436 25010 2081 1 5 . 1 1 521 521 ASP H H 521 8.114 8.114 7.840 0.274 25010 2082 1 5 . 1 1 522 522 ALA N N 522 123.368 123.368 120.590 2.778 25010 2083 1 5 . 1 1 522 522 ALA HA H 522 4.159 4.159 4.564 -0.405 25010 2084 1 5 . 1 1 522 522 ALA CA C 522 53.689 53.689 52.543 1.146 25010 2085 1 5 . 1 1 522 522 ALA CB C 522 19.915 19.915 18.682 1.233 25010 2086 1 5 . 1 1 522 522 ALA H H 522 7.572 7.572 7.189 0.383 25010 2087 1 5 . 1 1 523 523 GLY N N 523 107.946 107.946 105.665 2.281 25010 2088 1 5 . 1 1 523 523 GLY CA C 523 45.093 45.093 43.607 1.486 25010 2089 1 5 . 1 1 523 523 GLY H H 523 8.509 8.509 7.069 1.440 25010 2090 1 5 . 1 1 524 524 HIS N N 524 119.840 119.840 118.846 0.994 25010 2091 1 5 . 1 1 524 524 HIS HA H 524 5.290 5.290 4.419 0.871 25010 2092 1 5 . 1 1 524 524 HIS CA C 524 56.034 56.034 56.228 -0.194 25010 2093 1 5 . 1 1 524 524 HIS CB C 524 30.145 30.145 29.414 0.731 25010 2094 1 5 . 1 1 524 524 HIS H H 524 9.142 9.142 8.959 0.183 25010 2095 1 5 . 1 1 525 525 TYR N N 525 127.518 127.518 125.131 2.387 25010 2096 1 5 . 1 1 525 525 TYR HA H 525 5.218 5.218 4.717 0.501 25010 2097 1 5 . 1 1 525 525 TYR CA C 525 57.358 57.358 58.806 -1.448 25010 2098 1 5 . 1 1 525 525 TYR CB C 525 40.926 40.926 39.022 1.904 25010 2099 1 5 . 1 1 525 525 TYR H H 525 9.590 9.590 8.393 1.197 25010 2100 1 5 . 1 1 526 526 ALA N N 526 121.840 121.840 125.752 -3.912 25010 2101 1 5 . 1 1 526 526 ALA HA H 526 5.608 5.608 5.188 0.420 25010 2102 1 5 . 1 1 526 526 ALA CA C 526 49.627 49.627 50.115 -0.488 25010 2103 1 5 . 1 1 526 526 ALA CB C 526 24.176 24.176 22.608 1.568 25010 2104 1 5 . 1 1 526 526 ALA H H 526 9.116 9.116 9.436 -0.320 25010 2105 1 5 . 1 1 527 527 LEU N N 527 121.819 121.819 125.021 -3.202 25010 2106 1 5 . 1 1 527 527 LEU HA H 527 4.564 4.564 4.935 -0.371 25010 2107 1 5 . 1 1 527 527 LEU CA C 527 53.112 53.112 52.866 0.246 25010 2108 1 5 . 1 1 527 527 LEU CB C 527 42.995 42.995 44.284 -1.289 25010 2109 1 5 . 1 1 527 527 LEU H H 527 8.177 8.177 8.939 -0.762 25010 2110 1 5 . 1 1 528 528 CYS N N 528 122.918 122.918 128.463 -5.545 25010 2111 1 5 . 1 1 528 528 CYS HA H 528 4.995 4.995 4.841 0.154 25010 2112 1 5 . 1 1 528 528 CYS CA C 528 57.302 57.302 56.940 0.362 25010 2113 1 5 . 1 1 528 528 CYS CB C 528 29.928 29.928 26.898 3.030 25010 2114 1 5 . 1 1 528 528 CYS H H 528 8.991 8.991 8.860 0.131 25010 2115 1 5 . 1 1 529 529 THR N N 529 116.311 116.311 116.643 -0.332 25010 2116 1 5 . 1 1 529 529 THR HA H 529 4.717 4.717 5.259 -0.542 25010 2117 1 5 . 1 1 529 529 THR CA C 529 59.605 59.605 59.118 0.487 25010 2118 1 5 . 1 1 529 529 THR CB C 529 71.228 71.228 70.474 0.754 25010 2119 1 5 . 1 1 529 529 THR H H 529 8.688 8.688 8.192 0.496 25010 2120 1 5 . 1 1 530 530 SER N N 530 115.043 115.043 115.727 -0.684 25010 2121 1 5 . 1 1 530 530 SER HA H 530 4.284 4.284 4.410 -0.126 25010 2122 1 5 . 1 1 530 530 SER CA C 530 59.975 59.975 60.247 -0.272 25010 2123 1 5 . 1 1 530 530 SER CB C 530 62.698 62.698 63.492 -0.793 25010 2124 1 5 . 1 1 530 530 SER H H 530 9.371 9.371 8.664 0.707 25010 2125 1 5 . 1 1 531 531 GLY N N 531 108.631 108.631 108.077 0.554 25010 2126 1 5 . 1 1 531 531 GLY CA C 531 45.295 45.295 45.017 0.278 25010 2127 1 5 . 1 1 531 531 GLY H H 531 8.173 8.173 7.568 0.605 25010 2128 1 5 . 1 1 532 532 GLY N N 532 109.029 109.029 110.319 -1.290 25010 2129 1 5 . 1 1 532 532 GLY CA C 532 45.389 45.389 44.380 1.009 25010 2130 1 5 . 1 1 532 532 GLY H H 532 7.540 7.540 7.916 -0.376 25010 2131 1 5 . 1 1 533 533 GLN N N 533 116.724 116.724 124.613 -7.889 25010 2132 1 5 . 1 1 533 533 GLN HA H 533 5.357 5.357 5.048 0.309 25010 2133 1 5 . 1 1 533 533 GLN CA C 533 54.682 54.682 54.211 0.471 25010 2134 1 5 . 1 1 533 533 GLN CB C 533 32.353 32.353 29.511 2.842 25010 2135 1 5 . 1 1 533 533 GLN H H 533 8.309 8.309 8.441 -0.132 25010 2136 1 5 . 1 1 534 534 ALA N N 534 126.868 126.868 128.250 -1.382 25010 2137 1 5 . 1 1 534 534 ALA HA H 534 4.870 4.870 4.692 0.178 25010 2138 1 5 . 1 1 534 534 ALA CA C 534 50.764 50.764 50.883 -0.119 25010 2139 1 5 . 1 1 534 534 ALA CB C 534 22.046 22.046 20.582 1.464 25010 2140 1 5 . 1 1 534 534 ALA H H 534 8.876 8.876 8.336 0.540 25010 2141 1 5 . 1 1 535 535 LEU N N 535 122.735 122.735 123.861 -1.126 25010 2142 1 5 . 1 1 535 535 LEU HA H 535 5.401 5.401 5.343 0.058 25010 2143 1 5 . 1 1 535 535 LEU CA C 535 54.530 54.530 53.854 0.676 25010 2144 1 5 . 1 1 535 535 LEU CB C 535 46.423 46.423 45.016 1.407 25010 2145 1 5 . 1 1 535 535 LEU H H 535 8.445 8.445 8.475 -0.030 25010 2146 1 5 . 1 1 536 536 ALA N N 536 125.503 125.503 129.336 -3.833 25010 2147 1 5 . 1 1 536 536 ALA HA H 536 4.758 4.758 4.812 -0.054 25010 2148 1 5 . 1 1 536 536 ALA CA C 536 51.975 51.975 51.439 0.536 25010 2149 1 5 . 1 1 536 536 ALA CB C 536 24.534 24.534 22.109 2.425 25010 2150 1 5 . 1 1 536 536 ALA H H 536 9.375 9.375 8.932 0.443 25010 2151 1 5 . 1 1 537 537 GLU N N 537 121.939 121.939 122.562 -0.623 25010 2152 1 5 . 1 1 537 537 GLU HA H 537 4.942 4.942 4.494 0.448 25010 2153 1 5 . 1 1 537 537 GLU CA C 537 55.059 55.059 54.636 0.423 25010 2154 1 5 . 1 1 537 537 GLU CB C 537 31.991 31.991 31.857 0.134 25010 2155 1 5 . 1 1 537 537 GLU H H 537 9.320 9.320 8.319 1.001 25010 2156 1 5 . 1 1 538 538 LEU N N 538 125.030 125.030 124.611 0.419 25010 2157 1 5 . 1 1 538 538 LEU HA H 538 5.372 5.372 4.823 0.549 25010 2158 1 5 . 1 1 538 538 LEU CA C 538 53.663 53.663 54.021 -0.358 25010 2159 1 5 . 1 1 538 538 LEU CB C 538 45.180 45.180 44.673 0.507 25010 2160 1 5 . 1 1 538 538 LEU H H 538 9.306 9.306 7.709 1.597 25010 2161 1 5 . 1 1 539 539 ILE N N 539 130.825 130.825 125.980 4.845 25010 2162 1 5 . 1 1 539 539 ILE HA H 539 4.304 4.304 4.278 0.026 25010 2163 1 5 . 1 1 539 539 ILE CA C 539 61.221 61.221 60.901 0.320 25010 2164 1 5 . 1 1 539 539 ILE CB C 539 39.938 39.938 39.201 0.737 25010 2165 1 5 . 1 1 539 539 ILE H H 539 8.908 8.908 8.618 0.290 25010 2166 1 5 . 1 1 540 540 VAL N N 540 125.447 125.447 127.101 -1.654 25010 2167 1 5 . 1 1 540 540 VAL HA H 540 4.806 4.806 4.742 0.064 25010 2168 1 5 . 1 1 540 540 VAL CA C 540 60.340 60.340 60.673 -0.333 25010 2169 1 5 . 1 1 540 540 VAL CB C 540 33.794 33.794 33.543 0.251 25010 2170 1 5 . 1 1 540 540 VAL H H 540 7.890 7.890 8.600 -0.710 25010 2171 1 5 . 1 1 541 541 GLN N N 541 126.060 126.060 128.091 -2.031 25010 2172 1 5 . 1 1 541 541 GLN HA H 541 4.652 4.652 4.473 0.179 25010 2173 1 5 . 1 1 541 541 GLN CA C 541 54.441 54.441 54.914 -0.473 25010 2174 1 5 . 1 1 541 541 GLN CB C 541 30.994 30.994 29.988 1.006 25010 2175 1 5 . 1 1 541 541 GLN H H 541 9.089 9.089 9.053 0.036 25010 2176 1 5 . 1 1 542 542 GLU N N 542 122.213 122.213 123.926 -1.713 25010 2177 1 5 . 1 1 542 542 GLU HA H 542 4.340 4.340 4.467 -0.127 25010 2178 1 5 . 1 1 542 542 GLU CA C 542 57.168 57.168 55.451 1.717 25010 2179 1 5 . 1 1 542 542 GLU CB C 542 32.061 32.061 30.567 1.494 25010 2180 1 5 . 1 1 542 542 GLU H H 542 8.763 8.763 8.697 0.066 25010 2181 1 6 . 1 1 451 451 HIS HA H 451 4.666 4.666 4.533 0.133 25010 2182 1 6 . 1 1 451 451 HIS CA C 451 56.039 56.039 55.336 0.703 25010 2183 1 6 . 1 1 451 451 HIS CB C 451 30.388 30.388 30.296 0.092 25010 2184 1 6 . 1 1 452 452 MET N N 452 123.092 123.092 122.404 0.688 25010 2185 1 6 . 1 1 452 452 MET CB C 452 32.012 32.012 32.338 -0.326 25010 2186 1 6 . 1 1 452 452 MET H H 452 8.328 8.328 8.484 -0.156 25010 2187 1 6 . 1 1 453 453 PRO HA H 453 4.316 4.316 4.137 0.179 25010 2188 1 6 . 1 1 453 453 PRO CA C 453 62.807 62.807 62.668 0.139 25010 2189 1 6 . 1 1 453 453 PRO CB C 453 32.230 32.230 32.005 0.225 25010 2190 1 6 . 1 1 454 454 VAL N N 454 122.113 122.113 121.663 0.450 25010 2191 1 6 . 1 1 454 454 VAL HA H 454 3.762 3.762 3.821 -0.059 25010 2192 1 6 . 1 1 454 454 VAL CA C 454 63.093 63.093 62.870 0.223 25010 2193 1 6 . 1 1 454 454 VAL CB C 454 32.192 32.192 30.993 1.199 25010 2194 1 6 . 1 1 454 454 VAL H H 454 7.806 7.806 8.331 -0.525 25010 2195 1 6 . 1 1 455 455 LEU N N 455 129.322 129.322 128.343 0.979 25010 2196 1 6 . 1 1 455 455 LEU HA H 455 4.459 4.459 4.401 0.058 25010 2197 1 6 . 1 1 455 455 LEU CA C 455 53.133 53.133 54.374 -1.242 25010 2198 1 6 . 1 1 455 455 LEU CB C 455 43.699 43.699 43.195 0.504 25010 2199 1 6 . 1 1 455 455 LEU H H 455 8.586 8.586 7.834 0.752 25010 2200 1 6 . 1 1 456 456 ILE N N 456 120.924 120.924 121.266 -0.342 25010 2201 1 6 . 1 1 456 456 ILE HA H 456 4.259 4.259 4.255 0.004 25010 2202 1 6 . 1 1 456 456 ILE CA C 456 60.937 60.937 60.017 0.920 25010 2203 1 6 . 1 1 456 456 ILE CB C 456 36.860 36.860 36.571 0.289 25010 2204 1 6 . 1 1 456 456 ILE H H 456 8.519 8.519 8.500 0.019 25010 2205 1 6 . 1 1 457 457 THR N N 457 120.896 120.896 122.551 -1.655 25010 2206 1 6 . 1 1 457 457 THR HA H 457 4.297 4.297 4.347 -0.050 25010 2207 1 6 . 1 1 457 457 THR CA C 457 62.783 62.783 63.968 -1.185 25010 2208 1 6 . 1 1 457 457 THR CB C 457 67.927 67.927 69.861 -1.933 25010 2209 1 6 . 1 1 457 457 THR H H 457 8.671 8.671 8.991 -0.320 25010 2210 1 6 . 1 1 458 458 ARG N N 458 122.706 122.706 121.715 0.991 25010 2211 1 6 . 1 1 458 458 ARG HA H 458 4.931 4.931 4.956 -0.025 25010 2212 1 6 . 1 1 458 458 ARG CA C 458 53.816 53.816 52.366 1.450 25010 2213 1 6 . 1 1 458 458 ARG CB C 458 32.443 32.443 30.174 2.269 25010 2214 1 6 . 1 1 458 458 ARG H H 458 7.576 7.576 7.712 -0.136 25010 2215 1 6 . 1 1 459 459 PRO HA H 459 4.315 4.315 4.453 -0.138 25010 2216 1 6 . 1 1 459 459 PRO CA C 459 62.763 62.763 62.769 -0.006 25010 2217 1 6 . 1 1 459 459 PRO CB C 459 32.644 32.644 32.319 0.325 25010 2218 1 6 . 1 1 460 460 LEU N N 460 115.406 115.406 121.322 -5.916 25010 2219 1 6 . 1 1 460 460 LEU HA H 460 4.575 4.575 4.530 0.045 25010 2220 1 6 . 1 1 460 460 LEU CA C 460 55.114 55.114 53.959 1.155 25010 2221 1 6 . 1 1 460 460 LEU CB C 460 45.383 45.383 43.020 2.363 25010 2222 1 6 . 1 1 460 460 LEU H H 460 6.134 6.134 8.187 -2.053 25010 2223 1 6 . 1 1 461 461 GLU N N 461 120.629 120.629 120.710 -0.081 25010 2224 1 6 . 1 1 461 461 GLU HA H 461 4.826 4.826 4.292 0.534 25010 2225 1 6 . 1 1 461 461 GLU CA C 461 54.846 54.846 56.977 -2.131 25010 2226 1 6 . 1 1 461 461 GLU CB C 461 32.513 32.513 29.640 2.873 25010 2227 1 6 . 1 1 461 461 GLU H H 461 8.409 8.409 8.761 -0.352 25010 2228 1 6 . 1 1 462 462 ASP N N 462 122.487 122.487 122.774 -0.287 25010 2229 1 6 . 1 1 462 462 ASP HA H 462 5.043 5.043 4.608 0.435 25010 2230 1 6 . 1 1 462 462 ASP CA C 462 55.551 55.551 54.654 0.897 25010 2231 1 6 . 1 1 462 462 ASP CB C 462 41.180 41.180 41.608 -0.428 25010 2232 1 6 . 1 1 462 462 ASP H H 462 8.603 8.603 8.598 0.005 25010 2233 1 6 . 1 1 463 463 GLN N N 463 117.119 117.119 119.523 -2.404 25010 2234 1 6 . 1 1 463 463 GLN HA H 463 4.687 4.687 4.264 0.423 25010 2235 1 6 . 1 1 463 463 GLN CA C 463 54.383 54.383 55.249 -0.866 25010 2236 1 6 . 1 1 463 463 GLN CB C 463 33.212 33.212 30.161 3.051 25010 2237 1 6 . 1 1 463 463 GLN H H 463 8.785 8.785 7.888 0.897 25010 2238 1 6 . 1 1 464 464 LEU N N 464 127.523 127.523 123.835 3.688 25010 2239 1 6 . 1 1 464 464 LEU HA H 464 5.337 5.337 5.225 0.112 25010 2240 1 6 . 1 1 464 464 LEU CA C 464 54.511 54.511 54.582 -0.071 25010 2241 1 6 . 1 1 464 464 LEU CB C 464 44.048 44.048 43.388 0.660 25010 2242 1 6 . 1 1 464 464 LEU H H 464 8.420 8.420 8.351 0.069 25010 2243 1 6 . 1 1 465 465 VAL N N 465 119.244 119.244 122.154 -2.910 25010 2244 1 6 . 1 1 465 465 VAL HA H 465 4.796 4.796 4.622 0.174 25010 2245 1 6 . 1 1 465 465 VAL CA C 465 58.546 58.546 59.578 -1.032 25010 2246 1 6 . 1 1 465 465 VAL CB C 465 36.136 36.136 36.236 -0.100 25010 2247 1 6 . 1 1 465 465 VAL H H 465 8.730 8.730 8.962 -0.232 25010 2248 1 6 . 1 1 466 466 MET N N 466 119.234 119.234 118.480 0.754 25010 2249 1 6 . 1 1 466 466 MET HA H 466 5.269 5.269 4.953 0.316 25010 2250 1 6 . 1 1 466 466 MET CA C 466 52.842 52.842 54.229 -1.387 25010 2251 1 6 . 1 1 466 466 MET CB C 466 33.563 33.563 34.619 -1.056 25010 2252 1 6 . 1 1 466 466 MET H H 466 8.099 8.099 8.070 0.029 25010 2253 1 6 . 1 1 467 467 VAL N N 467 119.519 119.519 120.620 -1.101 25010 2254 1 6 . 1 1 467 467 VAL HA H 467 3.457 3.457 3.538 -0.081 25010 2255 1 6 . 1 1 467 467 VAL CA C 467 64.434 64.434 64.225 0.208 25010 2256 1 6 . 1 1 467 467 VAL CB C 467 32.220 32.220 31.805 0.415 25010 2257 1 6 . 1 1 467 467 VAL H H 467 7.917 7.917 8.018 -0.101 25010 2258 1 6 . 1 1 468 468 GLY N N 468 115.365 115.365 111.859 3.506 25010 2259 1 6 . 1 1 468 468 GLY CA C 468 44.814 44.814 44.814 0.000 25010 2260 1 6 . 1 1 468 468 GLY H H 468 9.845 9.845 8.754 1.091 25010 2261 1 6 . 1 1 469 469 GLN N N 469 120.329 120.329 119.398 0.931 25010 2262 1 6 . 1 1 469 469 GLN HA H 469 4.433 4.433 4.409 0.024 25010 2263 1 6 . 1 1 469 469 GLN CA C 469 55.841 55.841 54.802 1.039 25010 2264 1 6 . 1 1 469 469 GLN CB C 469 30.198 30.198 30.083 0.115 25010 2265 1 6 . 1 1 469 469 GLN H H 469 7.984 7.984 7.456 0.528 25010 2266 1 6 . 1 1 470 470 ARG N N 470 122.940 122.940 122.181 0.759 25010 2267 1 6 . 1 1 470 470 ARG HA H 470 4.603 4.603 4.609 -0.006 25010 2268 1 6 . 1 1 470 470 ARG CA C 470 55.873 55.873 56.180 -0.307 25010 2269 1 6 . 1 1 470 470 ARG CB C 470 31.614 31.614 31.079 0.535 25010 2270 1 6 . 1 1 470 470 ARG H H 470 8.138 8.138 8.580 -0.442 25010 2271 1 6 . 1 1 471 471 VAL N N 471 127.100 127.100 125.764 1.336 25010 2272 1 6 . 1 1 471 471 VAL HA H 471 4.135 4.135 4.271 -0.136 25010 2273 1 6 . 1 1 471 471 VAL CA C 471 60.424 60.424 60.683 -0.259 25010 2274 1 6 . 1 1 471 471 VAL CB C 471 34.725 34.725 35.436 -0.711 25010 2275 1 6 . 1 1 471 471 VAL H H 471 8.869 8.869 8.264 0.605 25010 2276 1 6 . 1 1 472 472 GLU N N 472 126.220 126.220 123.478 2.742 25010 2277 1 6 . 1 1 472 472 GLU HA H 472 5.096 5.096 4.837 0.259 25010 2278 1 6 . 1 1 472 472 GLU CA C 472 54.644 54.644 54.666 -0.022 25010 2279 1 6 . 1 1 472 472 GLU CB C 472 32.890 32.890 33.344 -0.454 25010 2280 1 6 . 1 1 472 472 GLU H H 472 8.601 8.601 8.334 0.267 25010 2281 1 6 . 1 1 473 473 PHE N N 473 125.641 125.641 123.574 2.067 25010 2282 1 6 . 1 1 473 473 PHE HA H 473 4.747 4.747 4.748 -0.001 25010 2283 1 6 . 1 1 473 473 PHE CA C 473 57.513 57.513 57.038 0.475 25010 2284 1 6 . 1 1 473 473 PHE CB C 473 41.975 41.975 40.241 1.734 25010 2285 1 6 . 1 1 473 473 PHE H H 473 9.275 9.275 9.303 -0.028 25010 2286 1 6 . 1 1 474 474 GLU N N 474 120.663 120.663 125.446 -4.783 25010 2287 1 6 . 1 1 474 474 GLU HA H 474 5.369 5.369 4.682 0.687 25010 2288 1 6 . 1 1 474 474 GLU CA C 474 54.976 54.976 55.573 -0.597 25010 2289 1 6 . 1 1 474 474 GLU CB C 474 32.849 32.849 30.631 2.219 25010 2290 1 6 . 1 1 474 474 GLU H H 474 8.452 8.452 8.954 -0.502 25010 2291 1 6 . 1 1 475 475 CYS N N 475 121.477 121.477 122.933 -1.456 25010 2292 1 6 . 1 1 475 475 CYS HA H 475 4.818 4.818 4.972 -0.154 25010 2293 1 6 . 1 1 475 475 CYS CA C 475 56.706 56.706 57.384 -0.678 25010 2294 1 6 . 1 1 475 475 CYS CB C 475 30.937 30.937 31.563 -0.626 25010 2295 1 6 . 1 1 475 475 CYS H H 475 9.015 9.015 8.700 0.315 25010 2296 1 6 . 1 1 476 476 GLU N N 476 123.383 123.383 127.012 -3.629 25010 2297 1 6 . 1 1 476 476 GLU HA H 476 5.522 5.522 4.842 0.680 25010 2298 1 6 . 1 1 476 476 GLU CA C 476 55.076 55.076 54.465 0.611 25010 2299 1 6 . 1 1 476 476 GLU CB C 476 33.796 33.796 33.306 0.490 25010 2300 1 6 . 1 1 476 476 GLU H H 476 8.574 8.574 8.644 -0.070 25010 2301 1 6 . 1 1 477 477 VAL N N 477 116.481 116.481 121.171 -4.690 25010 2302 1 6 . 1 1 477 477 VAL HA H 477 5.430 5.430 4.892 0.538 25010 2303 1 6 . 1 1 477 477 VAL CA C 477 58.827 58.827 59.940 -1.113 25010 2304 1 6 . 1 1 477 477 VAL CB C 477 34.087 34.087 33.622 0.465 25010 2305 1 6 . 1 1 477 477 VAL H H 477 8.739 8.739 8.084 0.655 25010 2306 1 6 . 1 1 478 478 SER N N 478 111.234 111.234 115.629 -4.395 25010 2307 1 6 . 1 1 478 478 SER HA H 478 4.072 4.072 4.527 -0.456 25010 2308 1 6 . 1 1 478 478 SER CA C 478 60.984 60.984 60.345 0.639 25010 2309 1 6 . 1 1 478 478 SER CB C 478 63.568 63.568 63.841 -0.273 25010 2310 1 6 . 1 1 478 478 SER H H 478 8.779 8.779 8.809 -0.030 25010 2311 1 6 . 1 1 479 479 GLU N N 479 116.983 116.983 121.227 -4.244 25010 2312 1 6 . 1 1 479 479 GLU HA H 479 4.872 4.872 4.487 0.385 25010 2313 1 6 . 1 1 479 479 GLU CA C 479 54.615 54.615 54.817 -0.202 25010 2314 1 6 . 1 1 479 479 GLU CB C 479 33.654 33.654 31.646 2.008 25010 2315 1 6 . 1 1 479 479 GLU H H 479 6.800 6.800 7.984 -1.184 25010 2316 1 6 . 1 1 480 480 GLU N N 480 124.422 124.422 125.338 -0.916 25010 2317 1 6 . 1 1 480 480 GLU HA H 480 4.405 4.405 4.369 0.036 25010 2318 1 6 . 1 1 480 480 GLU CA C 480 57.861 57.861 56.619 1.242 25010 2319 1 6 . 1 1 480 480 GLU CB C 480 29.787 29.787 30.294 -0.506 25010 2320 1 6 . 1 1 480 480 GLU H H 480 9.243 9.243 8.593 0.650 25010 2321 1 6 . 1 1 481 481 GLY CA C 481 45.916 45.916 45.432 0.484 25010 2322 1 6 . 1 1 482 482 ALA N N 482 121.277 121.277 122.678 -1.401 25010 2323 1 6 . 1 1 482 482 ALA HA H 482 4.513 4.513 4.595 -0.082 25010 2324 1 6 . 1 1 482 482 ALA CA C 482 52.243 52.243 51.241 1.002 25010 2325 1 6 . 1 1 482 482 ALA CB C 482 20.653 20.653 19.795 0.858 25010 2326 1 6 . 1 1 482 482 ALA H H 482 7.449 7.449 7.951 -0.502 25010 2327 1 6 . 1 1 483 483 GLN N N 483 121.318 121.318 125.356 -4.038 25010 2328 1 6 . 1 1 483 483 GLN HA H 483 4.481 4.481 4.376 0.105 25010 2329 1 6 . 1 1 483 483 GLN CA C 483 55.471 55.471 55.188 0.283 25010 2330 1 6 . 1 1 483 483 GLN CB C 483 28.077 28.077 29.794 -1.717 25010 2331 1 6 . 1 1 483 483 GLN H H 483 8.541 8.541 8.666 -0.125 25010 2332 1 6 . 1 1 484 484 VAL N N 484 118.395 118.395 112.544 5.851 25010 2333 1 6 . 1 1 484 484 VAL HA H 484 4.919 4.919 4.524 0.395 25010 2334 1 6 . 1 1 484 484 VAL CA C 484 58.491 58.491 58.756 -0.265 25010 2335 1 6 . 1 1 484 484 VAL CB C 484 34.518 34.518 34.343 0.175 25010 2336 1 6 . 1 1 484 484 VAL H H 484 8.283 8.283 7.740 0.543 25010 2337 1 6 . 1 1 485 485 LYS N N 485 119.957 119.957 121.860 -1.903 25010 2338 1 6 . 1 1 485 485 LYS HA H 485 4.594 4.594 4.442 0.152 25010 2339 1 6 . 1 1 485 485 LYS CA C 485 55.038 55.038 54.682 0.356 25010 2340 1 6 . 1 1 485 485 LYS CB C 485 36.678 36.678 35.228 1.450 25010 2341 1 6 . 1 1 485 485 LYS H H 485 8.039 8.039 8.142 -0.103 25010 2342 1 6 . 1 1 486 486 TRP N N 486 123.677 123.677 125.595 -1.918 25010 2343 1 6 . 1 1 486 486 TRP HA H 486 5.608 5.608 4.720 0.888 25010 2344 1 6 . 1 1 486 486 TRP CA C 486 55.766 55.766 55.973 -0.207 25010 2345 1 6 . 1 1 486 486 TRP CB C 486 32.033 32.033 30.377 1.656 25010 2346 1 6 . 1 1 486 486 TRP H H 486 8.767 8.767 8.655 0.112 25010 2347 1 6 . 1 1 487 487 LEU N N 487 121.292 121.292 125.761 -4.469 25010 2348 1 6 . 1 1 487 487 LEU HA H 487 5.199 5.199 5.226 -0.027 25010 2349 1 6 . 1 1 487 487 LEU CA C 487 53.645 53.645 53.681 -0.036 25010 2350 1 6 . 1 1 487 487 LEU CB C 487 46.241 46.241 45.785 0.456 25010 2351 1 6 . 1 1 487 487 LEU H H 487 9.599 9.599 9.171 0.428 25010 2352 1 6 . 1 1 488 488 LYS N N 488 119.097 119.097 128.442 -9.345 25010 2353 1 6 . 1 1 488 488 LYS HA H 488 4.448 4.448 4.295 0.153 25010 2354 1 6 . 1 1 488 488 LYS CA C 488 55.221 55.221 54.646 0.575 25010 2355 1 6 . 1 1 488 488 LYS CB C 488 35.636 35.636 32.938 2.698 25010 2356 1 6 . 1 1 488 488 LYS H H 488 8.702 8.702 9.073 -0.371 25010 2357 1 6 . 1 1 489 489 ASP N N 489 130.255 130.255 128.291 1.964 25010 2358 1 6 . 1 1 489 489 ASP HA H 489 4.377 4.377 4.267 0.110 25010 2359 1 6 . 1 1 489 489 ASP CA C 489 55.843 55.843 55.420 0.423 25010 2360 1 6 . 1 1 489 489 ASP CB C 489 40.211 40.211 39.910 0.301 25010 2361 1 6 . 1 1 489 489 ASP H H 489 9.895 9.895 8.785 1.110 25010 2362 1 6 . 1 1 490 490 GLY N N 490 101.682 101.682 103.178 -1.496 25010 2363 1 6 . 1 1 490 490 GLY CA C 490 45.394 45.394 44.941 0.453 25010 2364 1 6 . 1 1 490 490 GLY H H 490 8.673 8.673 8.579 0.094 25010 2365 1 6 . 1 1 491 491 VAL N N 491 123.371 123.371 124.213 -0.842 25010 2366 1 6 . 1 1 491 491 VAL HA H 491 4.197 4.197 4.026 0.171 25010 2367 1 6 . 1 1 491 491 VAL CA C 491 61.597 61.597 62.773 -1.177 25010 2368 1 6 . 1 1 491 491 VAL CB C 491 33.598 33.598 32.194 1.404 25010 2369 1 6 . 1 1 491 491 VAL H H 491 7.954 7.954 8.003 -0.049 25010 2370 1 6 . 1 1 492 492 GLU N N 492 127.934 127.934 129.262 -1.328 25010 2371 1 6 . 1 1 492 492 GLU HA H 492 4.410 4.410 4.789 -0.379 25010 2372 1 6 . 1 1 492 492 GLU CA C 492 57.649 57.649 54.950 2.699 25010 2373 1 6 . 1 1 492 492 GLU CB C 492 29.242 29.242 31.059 -1.817 25010 2374 1 6 . 1 1 492 492 GLU H H 492 8.781 8.781 8.581 0.200 25010 2375 1 6 . 1 1 493 493 LEU N N 493 127.787 127.787 126.560 1.227 25010 2376 1 6 . 1 1 493 493 LEU HA H 493 4.591 4.591 4.734 -0.143 25010 2377 1 6 . 1 1 493 493 LEU CA C 493 54.628 54.628 54.469 0.159 25010 2378 1 6 . 1 1 493 493 LEU CB C 493 41.823 41.823 42.503 -0.680 25010 2379 1 6 . 1 1 493 493 LEU H H 493 8.934 8.934 8.125 0.809 25010 2380 1 6 . 1 1 494 494 THR N N 494 114.564 114.564 111.133 3.431 25010 2381 1 6 . 1 1 494 494 THR HA H 494 4.238 4.238 4.707 -0.469 25010 2382 1 6 . 1 1 494 494 THR CA C 494 61.209 61.209 60.122 1.087 25010 2383 1 6 . 1 1 494 494 THR CB C 494 70.420 70.420 70.896 -0.476 25010 2384 1 6 . 1 1 494 494 THR H H 494 8.338 8.338 9.219 -0.881 25010 2385 1 6 . 1 1 495 495 ARG N N 495 121.286 121.286 120.687 0.599 25010 2386 1 6 . 1 1 495 495 ARG HA H 495 4.421 4.421 4.323 0.098 25010 2387 1 6 . 1 1 495 495 ARG CA C 495 56.805 56.805 58.950 -2.145 25010 2388 1 6 . 1 1 495 495 ARG CB C 495 30.014 30.014 30.359 -0.345 25010 2389 1 6 . 1 1 495 495 ARG H H 495 8.580 8.580 8.765 -0.185 25010 2390 1 6 . 1 1 496 496 GLU N N 496 120.070 120.070 119.677 0.393 25010 2391 1 6 . 1 1 496 496 GLU HA H 496 4.341 4.341 4.399 -0.058 25010 2392 1 6 . 1 1 496 496 GLU CA C 496 57.093 57.093 55.598 1.495 25010 2393 1 6 . 1 1 496 496 GLU CB C 496 29.927 29.927 28.541 1.386 25010 2394 1 6 . 1 1 496 496 GLU H H 496 8.304 8.304 8.533 -0.229 25010 2395 1 6 . 1 1 497 497 GLU N N 497 120.611 120.611 119.618 0.993 25010 2396 1 6 . 1 1 497 497 GLU HA H 497 4.390 4.390 4.369 0.021 25010 2397 1 6 . 1 1 497 497 GLU CA C 497 56.781 56.781 56.524 0.257 25010 2398 1 6 . 1 1 497 497 GLU CB C 497 29.722 29.722 30.605 -0.883 25010 2399 1 6 . 1 1 497 497 GLU H H 497 8.181 8.181 7.512 0.669 25010 2400 1 6 . 1 1 498 498 THR N N 498 113.761 113.761 115.330 -1.569 25010 2401 1 6 . 1 1 498 498 THR HA H 498 4.519 4.519 4.114 0.405 25010 2402 1 6 . 1 1 498 498 THR CA C 498 61.768 61.768 62.650 -0.882 25010 2403 1 6 . 1 1 498 498 THR CB C 498 69.893 69.893 69.380 0.513 25010 2404 1 6 . 1 1 498 498 THR H H 498 8.077 8.077 8.200 -0.123 25010 2405 1 6 . 1 1 499 499 PHE N N 499 119.315 119.315 121.663 -2.348 25010 2406 1 6 . 1 1 499 499 PHE HA H 499 4.571 4.571 4.353 0.218 25010 2407 1 6 . 1 1 499 499 PHE CA C 499 58.469 58.469 56.398 2.071 25010 2408 1 6 . 1 1 499 499 PHE CB C 499 38.648 38.648 37.861 0.787 25010 2409 1 6 . 1 1 499 499 PHE H H 499 8.089 8.089 8.000 0.089 25010 2410 1 6 . 1 1 500 500 LYS N N 500 120.851 120.851 120.794 0.057 25010 2411 1 6 . 1 1 500 500 LYS HA H 500 4.146 4.146 3.979 0.167 25010 2412 1 6 . 1 1 500 500 LYS CA C 500 57.814 57.814 58.113 -0.299 25010 2413 1 6 . 1 1 500 500 LYS CB C 500 33.603 33.603 33.195 0.408 25010 2414 1 6 . 1 1 500 500 LYS H H 500 8.100 8.100 7.414 0.686 25010 2415 1 6 . 1 1 501 501 TYR N N 501 114.551 114.551 113.411 1.140 25010 2416 1 6 . 1 1 501 501 TYR HA H 501 4.782 4.782 5.347 -0.565 25010 2417 1 6 . 1 1 501 501 TYR CA C 501 55.002 55.002 54.581 0.421 25010 2418 1 6 . 1 1 501 501 TYR CB C 501 41.643 41.643 40.150 1.493 25010 2419 1 6 . 1 1 501 501 TYR H H 501 7.259 7.259 7.264 -0.005 25010 2420 1 6 . 1 1 502 502 TRP N N 502 119.304 119.304 123.537 -4.233 25010 2421 1 6 . 1 1 502 502 TRP HA H 502 5.351 5.351 5.026 0.325 25010 2422 1 6 . 1 1 502 502 TRP CA C 502 55.377 55.377 54.484 0.893 25010 2423 1 6 . 1 1 502 502 TRP CB C 502 30.599 30.599 31.616 -1.016 25010 2424 1 6 . 1 1 502 502 TRP H H 502 8.399 8.399 9.154 -0.755 25010 2425 1 6 . 1 1 503 503 PHE N N 503 119.216 119.216 116.243 2.973 25010 2426 1 6 . 1 1 503 503 PHE HA H 503 5.382 5.382 5.839 -0.457 25010 2427 1 6 . 1 1 503 503 PHE CA C 503 54.961 54.961 55.022 -0.061 25010 2428 1 6 . 1 1 503 503 PHE CB C 503 41.607 41.607 42.142 -0.535 25010 2429 1 6 . 1 1 503 503 PHE H H 503 8.840 8.840 7.966 0.874 25010 2430 1 6 . 1 1 504 504 LYS N N 504 120.145 120.145 121.041 -0.896 25010 2431 1 6 . 1 1 504 504 LYS HA H 504 4.887 4.887 4.752 0.135 25010 2432 1 6 . 1 1 504 504 LYS CA C 504 55.586 55.586 54.739 0.847 25010 2433 1 6 . 1 1 504 504 LYS CB C 504 36.415 36.415 36.210 0.205 25010 2434 1 6 . 1 1 504 504 LYS H H 504 8.870 8.870 9.255 -0.385 25010 2435 1 6 . 1 1 505 505 LYS N N 505 126.170 126.170 121.779 4.391 25010 2436 1 6 . 1 1 505 505 LYS HA H 505 4.901 4.901 4.948 -0.047 25010 2437 1 6 . 1 1 505 505 LYS CA C 505 55.352 55.352 54.758 0.594 25010 2438 1 6 . 1 1 505 505 LYS CB C 505 34.907 34.907 33.907 1.000 25010 2439 1 6 . 1 1 505 505 LYS H H 505 8.838 8.838 8.494 0.344 25010 2440 1 6 . 1 1 506 506 ASP N N 506 125.883 125.883 124.264 1.619 25010 2441 1 6 . 1 1 506 506 ASP HA H 506 4.839 4.839 4.799 0.040 25010 2442 1 6 . 1 1 506 506 ASP CA C 506 52.564 52.564 54.000 -1.436 25010 2443 1 6 . 1 1 506 506 ASP CB C 506 41.961 41.961 41.776 0.185 25010 2444 1 6 . 1 1 506 506 ASP H H 506 8.947 8.947 8.511 0.436 25010 2445 1 6 . 1 1 507 507 GLY N N 507 114.432 114.432 114.646 -0.214 25010 2446 1 6 . 1 1 507 507 GLY CA C 507 47.615 47.615 46.515 1.100 25010 2447 1 6 . 1 1 507 507 GLY H H 507 9.004 9.004 8.334 0.670 25010 2448 1 6 . 1 1 508 508 GLN N N 508 128.557 128.557 123.137 5.420 25010 2449 1 6 . 1 1 508 508 GLN HA H 508 4.119 4.119 4.219 -0.100 25010 2450 1 6 . 1 1 508 508 GLN CA C 508 57.237 57.237 55.522 1.715 25010 2451 1 6 . 1 1 508 508 GLN CB C 508 29.867 29.867 28.564 1.303 25010 2452 1 6 . 1 1 508 508 GLN H H 508 9.448 9.448 8.438 1.010 25010 2453 1 6 . 1 1 509 509 ARG N N 509 120.332 120.332 120.244 0.088 25010 2454 1 6 . 1 1 509 509 ARG HA H 509 4.986 4.986 4.672 0.314 25010 2455 1 6 . 1 1 509 509 ARG CA C 509 56.146 56.146 55.352 0.794 25010 2456 1 6 . 1 1 509 509 ARG CB C 509 32.012 32.012 32.849 -0.837 25010 2457 1 6 . 1 1 509 509 ARG H H 509 8.215 8.215 8.013 0.202 25010 2458 1 6 . 1 1 510 510 HIS N N 510 122.773 122.773 119.461 3.312 25010 2459 1 6 . 1 1 510 510 HIS HA H 510 5.136 5.136 5.389 -0.253 25010 2460 1 6 . 1 1 510 510 HIS CA C 510 56.449 56.449 55.258 1.191 25010 2461 1 6 . 1 1 510 510 HIS CB C 510 35.290 35.290 33.048 2.242 25010 2462 1 6 . 1 1 510 510 HIS H H 510 8.786 8.786 9.162 -0.376 25010 2463 1 6 . 1 1 511 511 HIS N N 511 119.128 119.128 122.847 -3.719 25010 2464 1 6 . 1 1 511 511 HIS HA H 511 6.075 6.075 5.422 0.653 25010 2465 1 6 . 1 1 511 511 HIS CA C 511 53.818 53.818 55.011 -1.194 25010 2466 1 6 . 1 1 511 511 HIS CB C 511 33.422 33.422 32.008 1.414 25010 2467 1 6 . 1 1 511 511 HIS H H 511 9.269 9.269 9.601 -0.333 25010 2468 1 6 . 1 1 512 512 LEU N N 512 125.504 125.504 128.187 -2.683 25010 2469 1 6 . 1 1 512 512 LEU HA H 512 4.384 4.384 4.974 -0.590 25010 2470 1 6 . 1 1 512 512 LEU CA C 512 54.196 54.196 53.690 0.506 25010 2471 1 6 . 1 1 512 512 LEU CB C 512 42.275 42.275 43.355 -1.080 25010 2472 1 6 . 1 1 512 512 LEU H H 512 8.345 8.345 9.219 -0.874 25010 2473 1 6 . 1 1 513 513 ILE N N 513 127.867 127.867 128.978 -1.111 25010 2474 1 6 . 1 1 513 513 ILE HA H 513 4.907 4.907 4.421 0.486 25010 2475 1 6 . 1 1 513 513 ILE CA C 513 59.524 59.524 60.620 -1.096 25010 2476 1 6 . 1 1 513 513 ILE CB C 513 40.044 40.044 38.884 1.160 25010 2477 1 6 . 1 1 513 513 ILE H H 513 8.776 8.776 9.543 -0.767 25010 2478 1 6 . 1 1 514 514 ILE N N 514 125.882 125.882 129.359 -3.477 25010 2479 1 6 . 1 1 514 514 ILE HA H 514 4.354 4.354 4.373 -0.019 25010 2480 1 6 . 1 1 514 514 ILE CA C 514 60.058 60.058 61.182 -1.124 25010 2481 1 6 . 1 1 514 514 ILE CB C 514 39.802 39.802 38.104 1.698 25010 2482 1 6 . 1 1 514 514 ILE H H 514 8.777 8.777 8.985 -0.208 25010 2483 1 6 . 1 1 515 515 ASN N N 515 124.270 124.270 125.909 -1.639 25010 2484 1 6 . 1 1 515 515 ASN HA H 515 4.277 4.277 4.550 -0.273 25010 2485 1 6 . 1 1 515 515 ASN CA C 515 57.166 57.166 55.735 1.431 25010 2486 1 6 . 1 1 515 515 ASN CB C 515 38.944 38.944 39.264 -0.320 25010 2487 1 6 . 1 1 515 515 ASN H H 515 8.068 8.068 8.867 -0.799 25010 2488 1 6 . 1 1 516 516 GLU N N 516 117.624 117.624 117.965 -0.341 25010 2489 1 6 . 1 1 516 516 GLU HA H 516 3.841 3.841 4.582 -0.741 25010 2490 1 6 . 1 1 516 516 GLU CA C 516 55.032 55.032 55.636 -0.604 25010 2491 1 6 . 1 1 516 516 GLU CB C 516 31.030 31.030 32.296 -1.266 25010 2492 1 6 . 1 1 516 516 GLU H H 516 8.320 8.320 7.479 0.841 25010 2493 1 6 . 1 1 517 517 ALA N N 517 125.884 125.884 128.962 -3.078 25010 2494 1 6 . 1 1 517 517 ALA HA H 517 4.186 4.186 4.337 -0.151 25010 2495 1 6 . 1 1 517 517 ALA CA C 517 53.726 53.726 53.249 0.477 25010 2496 1 6 . 1 1 517 517 ALA CB C 517 18.902 18.902 20.144 -1.242 25010 2497 1 6 . 1 1 517 517 ALA H H 517 8.735 8.735 9.099 -0.364 25010 2498 1 6 . 1 1 518 518 MET N N 518 123.090 123.090 121.239 1.851 25010 2499 1 6 . 1 1 518 518 MET HA H 518 4.888 4.888 4.766 0.122 25010 2500 1 6 . 1 1 518 518 MET CA C 518 53.006 53.006 53.948 -0.942 25010 2501 1 6 . 1 1 518 518 MET CB C 518 36.535 36.535 36.276 0.258 25010 2502 1 6 . 1 1 518 518 MET H H 518 9.831 9.831 9.818 0.013 25010 2503 1 6 . 1 1 519 519 LEU N N 519 123.171 123.171 123.993 -0.822 25010 2504 1 6 . 1 1 519 519 LEU HA H 519 3.846 3.846 4.069 -0.223 25010 2505 1 6 . 1 1 519 519 LEU CA C 519 59.407 59.407 58.309 1.097 25010 2506 1 6 . 1 1 519 519 LEU CB C 519 40.967 40.967 40.895 0.072 25010 2507 1 6 . 1 1 519 519 LEU H H 519 9.108 9.108 8.801 0.307 25010 2508 1 6 . 1 1 520 520 GLU N N 520 115.409 115.409 118.283 -2.874 25010 2509 1 6 . 1 1 520 520 GLU HA H 520 4.257 4.257 3.980 0.277 25010 2510 1 6 . 1 1 520 520 GLU CA C 520 58.537 58.537 59.267 -0.730 25010 2511 1 6 . 1 1 520 520 GLU CB C 520 28.123 28.123 28.474 -0.351 25010 2512 1 6 . 1 1 520 520 GLU H H 520 9.118 9.118 8.860 0.258 25010 2513 1 6 . 1 1 521 521 ASP N N 521 117.154 117.154 119.023 -1.869 25010 2514 1 6 . 1 1 521 521 ASP HA H 521 4.692 4.692 4.830 -0.138 25010 2515 1 6 . 1 1 521 521 ASP CA C 521 56.134 56.134 56.339 -0.205 25010 2516 1 6 . 1 1 521 521 ASP CB C 521 41.053 41.053 40.590 0.463 25010 2517 1 6 . 1 1 521 521 ASP H H 521 8.114 8.114 7.850 0.264 25010 2518 1 6 . 1 1 522 522 ALA N N 522 123.368 123.368 119.826 3.542 25010 2519 1 6 . 1 1 522 522 ALA HA H 522 4.159 4.159 4.499 -0.340 25010 2520 1 6 . 1 1 522 522 ALA CA C 522 53.689 53.689 52.838 0.851 25010 2521 1 6 . 1 1 522 522 ALA CB C 522 19.915 19.915 19.393 0.522 25010 2522 1 6 . 1 1 522 522 ALA H H 522 7.572 7.572 7.627 -0.055 25010 2523 1 6 . 1 1 523 523 GLY N N 523 107.946 107.946 106.846 1.100 25010 2524 1 6 . 1 1 523 523 GLY CA C 523 45.093 45.093 43.934 1.159 25010 2525 1 6 . 1 1 523 523 GLY H H 523 8.509 8.509 7.498 1.011 25010 2526 1 6 . 1 1 524 524 HIS N N 524 119.840 119.840 120.437 -0.597 25010 2527 1 6 . 1 1 524 524 HIS HA H 524 5.290 5.290 4.505 0.785 25010 2528 1 6 . 1 1 524 524 HIS CA C 524 56.034 56.034 55.932 0.102 25010 2529 1 6 . 1 1 524 524 HIS CB C 524 30.145 30.145 29.794 0.351 25010 2530 1 6 . 1 1 524 524 HIS H H 524 9.142 9.142 8.279 0.863 25010 2531 1 6 . 1 1 525 525 TYR N N 525 127.518 127.518 126.099 1.419 25010 2532 1 6 . 1 1 525 525 TYR HA H 525 5.218 5.218 5.226 -0.008 25010 2533 1 6 . 1 1 525 525 TYR CA C 525 57.358 57.358 57.690 -0.331 25010 2534 1 6 . 1 1 525 525 TYR CB C 525 40.926 40.926 39.488 1.438 25010 2535 1 6 . 1 1 525 525 TYR H H 525 9.590 9.590 8.262 1.328 25010 2536 1 6 . 1 1 526 526 ALA N N 526 121.840 121.840 125.735 -3.895 25010 2537 1 6 . 1 1 526 526 ALA HA H 526 5.608 5.608 5.281 0.327 25010 2538 1 6 . 1 1 526 526 ALA CA C 526 49.627 49.627 49.859 -0.232 25010 2539 1 6 . 1 1 526 526 ALA CB C 526 24.176 24.176 22.358 1.818 25010 2540 1 6 . 1 1 526 526 ALA H H 526 9.116 9.116 9.359 -0.243 25010 2541 1 6 . 1 1 527 527 LEU N N 527 121.819 121.819 125.309 -3.490 25010 2542 1 6 . 1 1 527 527 LEU HA H 527 4.564 4.564 5.429 -0.865 25010 2543 1 6 . 1 1 527 527 LEU CA C 527 53.112 53.112 52.855 0.257 25010 2544 1 6 . 1 1 527 527 LEU CB C 527 42.995 42.995 44.383 -1.388 25010 2545 1 6 . 1 1 527 527 LEU H H 527 8.177 8.177 9.115 -0.938 25010 2546 1 6 . 1 1 528 528 CYS N N 528 122.918 122.918 127.292 -4.374 25010 2547 1 6 . 1 1 528 528 CYS HA H 528 4.995 4.995 4.918 0.077 25010 2548 1 6 . 1 1 528 528 CYS CA C 528 57.302 57.302 56.807 0.495 25010 2549 1 6 . 1 1 528 528 CYS CB C 528 29.928 29.928 30.072 -0.144 25010 2550 1 6 . 1 1 528 528 CYS H H 528 8.991 8.991 8.517 0.474 25010 2551 1 6 . 1 1 529 529 THR N N 529 116.311 116.311 119.033 -2.722 25010 2552 1 6 . 1 1 529 529 THR HA H 529 4.717 4.717 4.822 -0.105 25010 2553 1 6 . 1 1 529 529 THR CA C 529 59.605 59.605 59.492 0.112 25010 2554 1 6 . 1 1 529 529 THR CB C 529 71.228 71.228 71.274 -0.046 25010 2555 1 6 . 1 1 529 529 THR H H 529 8.688 8.688 8.844 -0.156 25010 2556 1 6 . 1 1 530 530 SER N N 530 115.043 115.043 115.405 -0.362 25010 2557 1 6 . 1 1 530 530 SER HA H 530 4.284 4.284 4.345 -0.061 25010 2558 1 6 . 1 1 530 530 SER CA C 530 59.975 59.975 60.054 -0.079 25010 2559 1 6 . 1 1 530 530 SER CB C 530 62.698 62.698 63.073 -0.375 25010 2560 1 6 . 1 1 530 530 SER H H 530 9.371 9.371 8.670 0.701 25010 2561 1 6 . 1 1 531 531 GLY N N 531 108.631 108.631 108.987 -0.356 25010 2562 1 6 . 1 1 531 531 GLY CA C 531 45.295 45.295 44.904 0.391 25010 2563 1 6 . 1 1 531 531 GLY H H 531 8.173 8.173 7.433 0.740 25010 2564 1 6 . 1 1 532 532 GLY N N 532 109.029 109.029 107.773 1.256 25010 2565 1 6 . 1 1 532 532 GLY CA C 532 45.389 45.389 44.087 1.302 25010 2566 1 6 . 1 1 532 532 GLY H H 532 7.540 7.540 7.903 -0.363 25010 2567 1 6 . 1 1 533 533 GLN N N 533 116.724 116.724 119.280 -2.556 25010 2568 1 6 . 1 1 533 533 GLN HA H 533 5.357 5.357 5.118 0.239 25010 2569 1 6 . 1 1 533 533 GLN CA C 533 54.682 54.682 54.936 -0.254 25010 2570 1 6 . 1 1 533 533 GLN CB C 533 32.353 32.353 32.214 0.140 25010 2571 1 6 . 1 1 533 533 GLN H H 533 8.309 8.309 8.387 -0.078 25010 2572 1 6 . 1 1 534 534 ALA N N 534 126.868 126.868 129.893 -3.025 25010 2573 1 6 . 1 1 534 534 ALA HA H 534 4.870 4.870 4.817 0.053 25010 2574 1 6 . 1 1 534 534 ALA CA C 534 50.764 50.764 50.522 0.242 25010 2575 1 6 . 1 1 534 534 ALA CB C 534 22.046 22.046 20.804 1.242 25010 2576 1 6 . 1 1 534 534 ALA H H 534 8.876 8.876 9.115 -0.239 25010 2577 1 6 . 1 1 535 535 LEU N N 535 122.735 122.735 126.665 -3.930 25010 2578 1 6 . 1 1 535 535 LEU HA H 535 5.401 5.401 5.074 0.327 25010 2579 1 6 . 1 1 535 535 LEU CA C 535 54.530 54.530 53.912 0.618 25010 2580 1 6 . 1 1 535 535 LEU CB C 535 46.423 46.423 44.539 1.883 25010 2581 1 6 . 1 1 535 535 LEU H H 535 8.445 8.445 8.735 -0.290 25010 2582 1 6 . 1 1 536 536 ALA N N 536 125.503 125.503 129.759 -4.256 25010 2583 1 6 . 1 1 536 536 ALA HA H 536 4.758 4.758 4.789 -0.031 25010 2584 1 6 . 1 1 536 536 ALA CA C 536 51.975 51.975 50.955 1.020 25010 2585 1 6 . 1 1 536 536 ALA CB C 536 24.534 24.534 21.754 2.780 25010 2586 1 6 . 1 1 536 536 ALA H H 536 9.375 9.375 9.042 0.333 25010 2587 1 6 . 1 1 537 537 GLU N N 537 121.939 121.939 123.631 -1.692 25010 2588 1 6 . 1 1 537 537 GLU HA H 537 4.942 4.942 4.538 0.404 25010 2589 1 6 . 1 1 537 537 GLU CA C 537 55.059 55.059 54.993 0.066 25010 2590 1 6 . 1 1 537 537 GLU CB C 537 31.991 31.991 30.027 1.964 25010 2591 1 6 . 1 1 537 537 GLU H H 537 9.320 9.320 8.632 0.688 25010 2592 1 6 . 1 1 538 538 LEU N N 538 125.030 125.030 126.810 -1.780 25010 2593 1 6 . 1 1 538 538 LEU HA H 538 5.372 5.372 4.714 0.658 25010 2594 1 6 . 1 1 538 538 LEU CA C 538 53.663 53.663 54.376 -0.713 25010 2595 1 6 . 1 1 538 538 LEU CB C 538 45.180 45.180 44.559 0.621 25010 2596 1 6 . 1 1 538 538 LEU H H 538 9.306 9.306 8.674 0.632 25010 2597 1 6 . 1 1 539 539 ILE N N 539 130.825 130.825 126.894 3.931 25010 2598 1 6 . 1 1 539 539 ILE HA H 539 4.304 4.304 4.407 -0.103 25010 2599 1 6 . 1 1 539 539 ILE CA C 539 61.221 61.221 60.780 0.441 25010 2600 1 6 . 1 1 539 539 ILE CB C 539 39.938 39.938 39.088 0.850 25010 2601 1 6 . 1 1 539 539 ILE H H 539 8.908 8.908 8.608 0.300 25010 2602 1 6 . 1 1 540 540 VAL N N 540 125.447 125.447 127.409 -1.962 25010 2603 1 6 . 1 1 540 540 VAL HA H 540 4.806 4.806 5.128 -0.322 25010 2604 1 6 . 1 1 540 540 VAL CA C 540 60.340 60.340 59.316 1.024 25010 2605 1 6 . 1 1 540 540 VAL CB C 540 33.794 33.794 34.243 -0.449 25010 2606 1 6 . 1 1 540 540 VAL H H 540 7.890 7.890 8.580 -0.690 25010 2607 1 6 . 1 1 541 541 GLN N N 541 126.060 126.060 127.562 -1.502 25010 2608 1 6 . 1 1 541 541 GLN HA H 541 4.652 4.652 4.707 -0.055 25010 2609 1 6 . 1 1 541 541 GLN CA C 541 54.441 54.441 53.968 0.473 25010 2610 1 6 . 1 1 541 541 GLN CB C 541 30.994 30.994 31.316 -0.322 25010 2611 1 6 . 1 1 541 541 GLN H H 541 9.089 9.089 8.776 0.313 25010 2612 1 6 . 1 1 542 542 GLU N N 542 122.213 122.213 122.480 -0.267 25010 2613 1 6 . 1 1 542 542 GLU HA H 542 4.340 4.340 4.310 0.030 25010 2614 1 6 . 1 1 542 542 GLU CA C 542 57.168 57.168 56.904 0.264 25010 2615 1 6 . 1 1 542 542 GLU CB C 542 32.061 32.061 30.564 1.498 25010 2616 1 6 . 1 1 542 542 GLU H H 542 8.763 8.763 8.722 0.041 25010 2617 1 7 . 1 1 451 451 HIS HA H 451 4.666 4.666 4.644 0.022 25010 2618 1 7 . 1 1 451 451 HIS CA C 451 56.039 56.039 55.881 0.158 25010 2619 1 7 . 1 1 451 451 HIS CB C 451 30.388 30.388 29.063 1.325 25010 2620 1 7 . 1 1 452 452 MET N N 452 123.092 123.092 124.128 -1.036 25010 2621 1 7 . 1 1 452 452 MET CB C 452 32.012 32.012 32.722 -0.710 25010 2622 1 7 . 1 1 452 452 MET H H 452 8.328 8.328 7.983 0.345 25010 2623 1 7 . 1 1 453 453 PRO HA H 453 4.316 4.316 4.428 -0.112 25010 2624 1 7 . 1 1 453 453 PRO CA C 453 62.807 62.807 62.655 0.152 25010 2625 1 7 . 1 1 453 453 PRO CB C 453 32.230 32.230 32.355 -0.126 25010 2626 1 7 . 1 1 454 454 VAL N N 454 122.113 122.113 121.309 0.804 25010 2627 1 7 . 1 1 454 454 VAL HA H 454 3.762 3.762 3.997 -0.235 25010 2628 1 7 . 1 1 454 454 VAL CA C 454 63.093 63.093 62.804 0.289 25010 2629 1 7 . 1 1 454 454 VAL CB C 454 32.192 32.192 32.708 -0.516 25010 2630 1 7 . 1 1 454 454 VAL H H 454 7.806 7.806 8.227 -0.421 25010 2631 1 7 . 1 1 455 455 LEU N N 455 129.322 129.322 130.273 -0.951 25010 2632 1 7 . 1 1 455 455 LEU HA H 455 4.459 4.459 4.481 -0.022 25010 2633 1 7 . 1 1 455 455 LEU CA C 455 53.133 53.133 54.547 -1.414 25010 2634 1 7 . 1 1 455 455 LEU CB C 455 43.699 43.699 42.416 1.283 25010 2635 1 7 . 1 1 455 455 LEU H H 455 8.586 8.586 8.352 0.234 25010 2636 1 7 . 1 1 456 456 ILE N N 456 120.924 120.924 123.510 -2.586 25010 2637 1 7 . 1 1 456 456 ILE HA H 456 4.259 4.259 4.226 0.033 25010 2638 1 7 . 1 1 456 456 ILE CA C 456 60.937 60.937 60.070 0.867 25010 2639 1 7 . 1 1 456 456 ILE CB C 456 36.860 36.860 37.033 -0.173 25010 2640 1 7 . 1 1 456 456 ILE H H 456 8.519 8.519 8.515 0.004 25010 2641 1 7 . 1 1 457 457 THR N N 457 120.896 120.896 123.766 -2.870 25010 2642 1 7 . 1 1 457 457 THR HA H 457 4.297 4.297 4.265 0.032 25010 2643 1 7 . 1 1 457 457 THR CA C 457 62.783 62.783 63.602 -0.819 25010 2644 1 7 . 1 1 457 457 THR CB C 457 67.927 67.927 69.553 -1.626 25010 2645 1 7 . 1 1 457 457 THR H H 457 8.671 8.671 8.898 -0.227 25010 2646 1 7 . 1 1 458 458 ARG N N 458 122.706 122.706 121.322 1.384 25010 2647 1 7 . 1 1 458 458 ARG HA H 458 4.931 4.931 4.844 0.087 25010 2648 1 7 . 1 1 458 458 ARG CA C 458 53.816 53.816 52.529 1.287 25010 2649 1 7 . 1 1 458 458 ARG CB C 458 32.443 32.443 30.985 1.458 25010 2650 1 7 . 1 1 458 458 ARG H H 458 7.576 7.576 7.488 0.088 25010 2651 1 7 . 1 1 459 459 PRO HA H 459 4.315 4.315 4.665 -0.350 25010 2652 1 7 . 1 1 459 459 PRO CA C 459 62.763 62.763 62.313 0.450 25010 2653 1 7 . 1 1 459 459 PRO CB C 459 32.644 32.644 32.438 0.206 25010 2654 1 7 . 1 1 460 460 LEU N N 460 115.406 115.406 121.179 -5.773 25010 2655 1 7 . 1 1 460 460 LEU HA H 460 4.575 4.575 4.627 -0.052 25010 2656 1 7 . 1 1 460 460 LEU CA C 460 55.114 55.114 53.791 1.323 25010 2657 1 7 . 1 1 460 460 LEU CB C 460 45.383 45.383 42.723 2.660 25010 2658 1 7 . 1 1 460 460 LEU H H 460 6.134 6.134 8.293 -2.159 25010 2659 1 7 . 1 1 461 461 GLU N N 461 120.629 120.629 120.248 0.381 25010 2660 1 7 . 1 1 461 461 GLU HA H 461 4.826 4.826 4.261 0.565 25010 2661 1 7 . 1 1 461 461 GLU CA C 461 54.846 54.846 56.844 -1.998 25010 2662 1 7 . 1 1 461 461 GLU CB C 461 32.513 32.513 29.480 3.033 25010 2663 1 7 . 1 1 461 461 GLU H H 461 8.409 8.409 8.768 -0.359 25010 2664 1 7 . 1 1 462 462 ASP N N 462 122.487 122.487 122.682 -0.195 25010 2665 1 7 . 1 1 462 462 ASP HA H 462 5.043 5.043 4.547 0.496 25010 2666 1 7 . 1 1 462 462 ASP CA C 462 55.551 55.551 54.529 1.022 25010 2667 1 7 . 1 1 462 462 ASP CB C 462 41.180 41.180 41.302 -0.122 25010 2668 1 7 . 1 1 462 462 ASP H H 462 8.603 8.603 8.590 0.013 25010 2669 1 7 . 1 1 463 463 GLN N N 463 117.119 117.119 119.545 -2.426 25010 2670 1 7 . 1 1 463 463 GLN HA H 463 4.687 4.687 4.303 0.384 25010 2671 1 7 . 1 1 463 463 GLN CA C 463 54.383 54.383 55.208 -0.825 25010 2672 1 7 . 1 1 463 463 GLN CB C 463 33.212 33.212 29.746 3.466 25010 2673 1 7 . 1 1 463 463 GLN H H 463 8.785 8.785 7.671 1.114 25010 2674 1 7 . 1 1 464 464 LEU N N 464 127.523 127.523 124.567 2.956 25010 2675 1 7 . 1 1 464 464 LEU HA H 464 5.337 5.337 4.867 0.470 25010 2676 1 7 . 1 1 464 464 LEU CA C 464 54.511 54.511 54.727 -0.215 25010 2677 1 7 . 1 1 464 464 LEU CB C 464 44.048 44.048 43.290 0.758 25010 2678 1 7 . 1 1 464 464 LEU H H 464 8.420 8.420 8.375 0.045 25010 2679 1 7 . 1 1 465 465 VAL N N 465 119.244 119.244 122.761 -3.517 25010 2680 1 7 . 1 1 465 465 VAL HA H 465 4.796 4.796 4.626 0.170 25010 2681 1 7 . 1 1 465 465 VAL CA C 465 58.546 58.546 59.739 -1.193 25010 2682 1 7 . 1 1 465 465 VAL CB C 465 36.136 36.136 36.132 0.004 25010 2683 1 7 . 1 1 465 465 VAL H H 465 8.730 8.730 8.621 0.109 25010 2684 1 7 . 1 1 466 466 MET N N 466 119.234 119.234 118.656 0.578 25010 2685 1 7 . 1 1 466 466 MET HA H 466 5.269 5.269 5.201 0.068 25010 2686 1 7 . 1 1 466 466 MET CA C 466 52.842 52.842 53.079 -0.237 25010 2687 1 7 . 1 1 466 466 MET CB C 466 33.563 33.563 34.323 -0.760 25010 2688 1 7 . 1 1 466 466 MET H H 466 8.099 8.099 8.138 -0.039 25010 2689 1 7 . 1 1 467 467 VAL N N 467 119.519 119.519 121.054 -1.535 25010 2690 1 7 . 1 1 467 467 VAL HA H 467 3.457 3.457 3.738 -0.281 25010 2691 1 7 . 1 1 467 467 VAL CA C 467 64.434 64.434 64.016 0.418 25010 2692 1 7 . 1 1 467 467 VAL CB C 467 32.220 32.220 31.557 0.663 25010 2693 1 7 . 1 1 467 467 VAL H H 467 7.917 7.917 8.451 -0.534 25010 2694 1 7 . 1 1 468 468 GLY N N 468 115.365 115.365 115.754 -0.389 25010 2695 1 7 . 1 1 468 468 GLY CA C 468 44.814 44.814 44.910 -0.096 25010 2696 1 7 . 1 1 468 468 GLY H H 468 9.845 9.845 8.708 1.137 25010 2697 1 7 . 1 1 469 469 GLN N N 469 120.329 120.329 117.475 2.854 25010 2698 1 7 . 1 1 469 469 GLN HA H 469 4.433 4.433 4.627 -0.194 25010 2699 1 7 . 1 1 469 469 GLN CA C 469 55.841 55.841 53.425 2.416 25010 2700 1 7 . 1 1 469 469 GLN CB C 469 30.198 30.198 30.993 -0.795 25010 2701 1 7 . 1 1 469 469 GLN H H 469 7.984 7.984 7.538 0.446 25010 2702 1 7 . 1 1 470 470 ARG N N 470 122.940 122.940 122.427 0.513 25010 2703 1 7 . 1 1 470 470 ARG HA H 470 4.603 4.603 4.483 0.120 25010 2704 1 7 . 1 1 470 470 ARG CA C 470 55.873 55.873 56.255 -0.382 25010 2705 1 7 . 1 1 470 470 ARG CB C 470 31.614 31.614 30.986 0.628 25010 2706 1 7 . 1 1 470 470 ARG H H 470 8.138 8.138 8.569 -0.431 25010 2707 1 7 . 1 1 471 471 VAL N N 471 127.100 127.100 125.577 1.523 25010 2708 1 7 . 1 1 471 471 VAL HA H 471 4.135 4.135 4.231 -0.096 25010 2709 1 7 . 1 1 471 471 VAL CA C 471 60.424 60.424 60.883 -0.459 25010 2710 1 7 . 1 1 471 471 VAL CB C 471 34.725 34.725 35.412 -0.687 25010 2711 1 7 . 1 1 471 471 VAL H H 471 8.869 8.869 8.017 0.852 25010 2712 1 7 . 1 1 472 472 GLU N N 472 126.220 126.220 122.886 3.334 25010 2713 1 7 . 1 1 472 472 GLU HA H 472 5.096 5.096 4.723 0.373 25010 2714 1 7 . 1 1 472 472 GLU CA C 472 54.644 54.644 54.725 -0.081 25010 2715 1 7 . 1 1 472 472 GLU CB C 472 32.890 32.890 33.712 -0.822 25010 2716 1 7 . 1 1 472 472 GLU H H 472 8.601 8.601 8.159 0.442 25010 2717 1 7 . 1 1 473 473 PHE N N 473 125.641 125.641 122.771 2.870 25010 2718 1 7 . 1 1 473 473 PHE HA H 473 4.747 4.747 4.749 -0.002 25010 2719 1 7 . 1 1 473 473 PHE CA C 473 57.513 57.513 57.030 0.483 25010 2720 1 7 . 1 1 473 473 PHE CB C 473 41.975 41.975 40.770 1.204 25010 2721 1 7 . 1 1 473 473 PHE H H 473 9.275 9.275 9.226 0.049 25010 2722 1 7 . 1 1 474 474 GLU N N 474 120.663 120.663 124.526 -3.863 25010 2723 1 7 . 1 1 474 474 GLU HA H 474 5.369 5.369 5.050 0.319 25010 2724 1 7 . 1 1 474 474 GLU CA C 474 54.976 54.976 54.385 0.591 25010 2725 1 7 . 1 1 474 474 GLU CB C 474 32.849 32.849 30.573 2.276 25010 2726 1 7 . 1 1 474 474 GLU H H 474 8.452 8.452 8.739 -0.287 25010 2727 1 7 . 1 1 475 475 CYS N N 475 121.477 121.477 122.536 -1.059 25010 2728 1 7 . 1 1 475 475 CYS HA H 475 4.818 4.818 4.940 -0.122 25010 2729 1 7 . 1 1 475 475 CYS CA C 475 56.706 56.706 57.048 -0.342 25010 2730 1 7 . 1 1 475 475 CYS CB C 475 30.937 30.937 30.583 0.354 25010 2731 1 7 . 1 1 475 475 CYS H H 475 9.015 9.015 9.221 -0.206 25010 2732 1 7 . 1 1 476 476 GLU N N 476 123.383 123.383 124.880 -1.497 25010 2733 1 7 . 1 1 476 476 GLU HA H 476 5.522 5.522 5.324 0.198 25010 2734 1 7 . 1 1 476 476 GLU CA C 476 55.076 55.076 54.294 0.782 25010 2735 1 7 . 1 1 476 476 GLU CB C 476 33.796 33.796 32.681 1.115 25010 2736 1 7 . 1 1 476 476 GLU H H 476 8.574 8.574 8.604 -0.030 25010 2737 1 7 . 1 1 477 477 VAL N N 477 116.481 116.481 117.210 -0.729 25010 2738 1 7 . 1 1 477 477 VAL HA H 477 5.430 5.430 4.981 0.449 25010 2739 1 7 . 1 1 477 477 VAL CA C 477 58.827 58.827 59.083 -0.256 25010 2740 1 7 . 1 1 477 477 VAL CB C 477 34.087 34.087 34.110 -0.023 25010 2741 1 7 . 1 1 477 477 VAL H H 477 8.739 8.739 8.693 0.046 25010 2742 1 7 . 1 1 478 478 SER N N 478 111.234 111.234 115.508 -4.274 25010 2743 1 7 . 1 1 478 478 SER HA H 478 4.072 4.072 4.348 -0.276 25010 2744 1 7 . 1 1 478 478 SER CA C 478 60.984 60.984 60.297 0.687 25010 2745 1 7 . 1 1 478 478 SER CB C 478 63.568 63.568 63.849 -0.281 25010 2746 1 7 . 1 1 478 478 SER H H 478 8.779 8.779 8.504 0.275 25010 2747 1 7 . 1 1 479 479 GLU N N 479 116.983 116.983 121.230 -4.247 25010 2748 1 7 . 1 1 479 479 GLU HA H 479 4.872 4.872 4.403 0.469 25010 2749 1 7 . 1 1 479 479 GLU CA C 479 54.615 54.615 55.492 -0.877 25010 2750 1 7 . 1 1 479 479 GLU CB C 479 33.654 33.654 30.740 2.914 25010 2751 1 7 . 1 1 479 479 GLU H H 479 6.800 6.800 8.083 -1.283 25010 2752 1 7 . 1 1 480 480 GLU N N 480 124.422 124.422 127.398 -2.976 25010 2753 1 7 . 1 1 480 480 GLU HA H 480 4.405 4.405 4.199 0.206 25010 2754 1 7 . 1 1 480 480 GLU CA C 480 57.861 57.861 56.957 0.904 25010 2755 1 7 . 1 1 480 480 GLU CB C 480 29.787 29.787 29.957 -0.171 25010 2756 1 7 . 1 1 480 480 GLU H H 480 9.243 9.243 8.881 0.362 25010 2757 1 7 . 1 1 481 481 GLY CA C 481 45.916 45.916 44.885 1.031 25010 2758 1 7 . 1 1 482 482 ALA N N 482 121.277 121.277 125.744 -4.467 25010 2759 1 7 . 1 1 482 482 ALA HA H 482 4.513 4.513 4.451 0.062 25010 2760 1 7 . 1 1 482 482 ALA CA C 482 52.243 52.243 51.884 0.359 25010 2761 1 7 . 1 1 482 482 ALA CB C 482 20.653 20.653 19.106 1.547 25010 2762 1 7 . 1 1 482 482 ALA H H 482 7.449 7.449 7.503 -0.054 25010 2763 1 7 . 1 1 483 483 GLN N N 483 121.318 121.318 124.395 -3.077 25010 2764 1 7 . 1 1 483 483 GLN HA H 483 4.481 4.481 4.444 0.037 25010 2765 1 7 . 1 1 483 483 GLN CA C 483 55.471 55.471 55.158 0.313 25010 2766 1 7 . 1 1 483 483 GLN CB C 483 28.077 28.077 29.863 -1.786 25010 2767 1 7 . 1 1 483 483 GLN H H 483 8.541 8.541 8.519 0.022 25010 2768 1 7 . 1 1 484 484 VAL N N 484 118.395 118.395 114.846 3.549 25010 2769 1 7 . 1 1 484 484 VAL HA H 484 4.919 4.919 4.689 0.230 25010 2770 1 7 . 1 1 484 484 VAL CA C 484 58.491 58.491 59.209 -0.718 25010 2771 1 7 . 1 1 484 484 VAL CB C 484 34.518 34.518 34.466 0.052 25010 2772 1 7 . 1 1 484 484 VAL H H 484 8.283 8.283 7.863 0.420 25010 2773 1 7 . 1 1 485 485 LYS N N 485 119.957 119.957 123.221 -3.264 25010 2774 1 7 . 1 1 485 485 LYS HA H 485 4.594 4.594 4.638 -0.044 25010 2775 1 7 . 1 1 485 485 LYS CA C 485 55.038 55.038 53.868 1.169 25010 2776 1 7 . 1 1 485 485 LYS CB C 485 36.678 36.678 36.205 0.473 25010 2777 1 7 . 1 1 485 485 LYS H H 485 8.039 8.039 8.504 -0.465 25010 2778 1 7 . 1 1 486 486 TRP N N 486 123.677 123.677 124.219 -0.542 25010 2779 1 7 . 1 1 486 486 TRP HA H 486 5.608 5.608 4.966 0.642 25010 2780 1 7 . 1 1 486 486 TRP CA C 486 55.766 55.766 56.374 -0.608 25010 2781 1 7 . 1 1 486 486 TRP CB C 486 32.033 32.033 31.010 1.023 25010 2782 1 7 . 1 1 486 486 TRP H H 486 8.767 8.767 8.527 0.240 25010 2783 1 7 . 1 1 487 487 LEU N N 487 121.292 121.292 124.010 -2.718 25010 2784 1 7 . 1 1 487 487 LEU HA H 487 5.199 5.199 4.806 0.393 25010 2785 1 7 . 1 1 487 487 LEU CA C 487 53.645 53.645 53.635 0.010 25010 2786 1 7 . 1 1 487 487 LEU CB C 487 46.241 46.241 45.883 0.358 25010 2787 1 7 . 1 1 487 487 LEU H H 487 9.599 9.599 9.159 0.440 25010 2788 1 7 . 1 1 488 488 LYS N N 488 119.097 119.097 127.819 -8.722 25010 2789 1 7 . 1 1 488 488 LYS HA H 488 4.448 4.448 4.525 -0.077 25010 2790 1 7 . 1 1 488 488 LYS CA C 488 55.221 55.221 54.838 0.383 25010 2791 1 7 . 1 1 488 488 LYS CB C 488 35.636 35.636 33.427 2.209 25010 2792 1 7 . 1 1 488 488 LYS H H 488 8.702 8.702 9.051 -0.349 25010 2793 1 7 . 1 1 489 489 ASP N N 489 130.255 130.255 128.225 2.030 25010 2794 1 7 . 1 1 489 489 ASP HA H 489 4.377 4.377 4.255 0.122 25010 2795 1 7 . 1 1 489 489 ASP CA C 489 55.843 55.843 55.503 0.340 25010 2796 1 7 . 1 1 489 489 ASP CB C 489 40.211 40.211 40.017 0.194 25010 2797 1 7 . 1 1 489 489 ASP H H 489 9.895 9.895 9.155 0.740 25010 2798 1 7 . 1 1 490 490 GLY N N 490 101.682 101.682 103.591 -1.909 25010 2799 1 7 . 1 1 490 490 GLY CA C 490 45.394 45.394 45.083 0.312 25010 2800 1 7 . 1 1 490 490 GLY H H 490 8.673 8.673 8.640 0.033 25010 2801 1 7 . 1 1 491 491 VAL N N 491 123.371 123.371 123.653 -0.282 25010 2802 1 7 . 1 1 491 491 VAL HA H 491 4.197 4.197 4.107 0.090 25010 2803 1 7 . 1 1 491 491 VAL CA C 491 61.597 61.597 61.729 -0.132 25010 2804 1 7 . 1 1 491 491 VAL CB C 491 33.598 33.598 32.746 0.852 25010 2805 1 7 . 1 1 491 491 VAL H H 491 7.954 7.954 7.888 0.066 25010 2806 1 7 . 1 1 492 492 GLU N N 492 127.934 127.934 127.789 0.145 25010 2807 1 7 . 1 1 492 492 GLU HA H 492 4.410 4.410 4.407 0.003 25010 2808 1 7 . 1 1 492 492 GLU CA C 492 57.649 57.649 56.022 1.627 25010 2809 1 7 . 1 1 492 492 GLU CB C 492 29.242 29.242 30.836 -1.594 25010 2810 1 7 . 1 1 492 492 GLU H H 492 8.781 8.781 8.628 0.153 25010 2811 1 7 . 1 1 493 493 LEU N N 493 127.787 127.787 125.205 2.582 25010 2812 1 7 . 1 1 493 493 LEU HA H 493 4.591 4.591 4.965 -0.374 25010 2813 1 7 . 1 1 493 493 LEU CA C 493 54.628 54.628 53.333 1.295 25010 2814 1 7 . 1 1 493 493 LEU CB C 493 41.823 41.823 43.532 -1.708 25010 2815 1 7 . 1 1 493 493 LEU H H 493 8.934 8.934 8.030 0.904 25010 2816 1 7 . 1 1 494 494 THR N N 494 114.564 114.564 110.335 4.229 25010 2817 1 7 . 1 1 494 494 THR HA H 494 4.238 4.238 4.641 -0.403 25010 2818 1 7 . 1 1 494 494 THR CA C 494 61.209 61.209 60.294 0.915 25010 2819 1 7 . 1 1 494 494 THR CB C 494 70.420 70.420 70.969 -0.549 25010 2820 1 7 . 1 1 494 494 THR H H 494 8.338 8.338 7.980 0.358 25010 2821 1 7 . 1 1 495 495 ARG N N 495 121.286 121.286 118.986 2.300 25010 2822 1 7 . 1 1 495 495 ARG HA H 495 4.421 4.421 4.382 0.039 25010 2823 1 7 . 1 1 495 495 ARG CA C 495 56.805 56.805 56.538 0.267 25010 2824 1 7 . 1 1 495 495 ARG CB C 495 30.014 30.014 30.084 -0.070 25010 2825 1 7 . 1 1 495 495 ARG H H 495 8.580 8.580 8.603 -0.023 25010 2826 1 7 . 1 1 496 496 GLU N N 496 120.070 120.070 119.463 0.607 25010 2827 1 7 . 1 1 496 496 GLU HA H 496 4.341 4.341 4.230 0.111 25010 2828 1 7 . 1 1 496 496 GLU CA C 496 57.093 57.093 56.317 0.776 25010 2829 1 7 . 1 1 496 496 GLU CB C 496 29.927 29.927 27.696 2.231 25010 2830 1 7 . 1 1 496 496 GLU H H 496 8.304 8.304 8.238 0.066 25010 2831 1 7 . 1 1 497 497 GLU N N 497 120.611 120.611 122.096 -1.485 25010 2832 1 7 . 1 1 497 497 GLU HA H 497 4.390 4.390 4.570 -0.180 25010 2833 1 7 . 1 1 497 497 GLU CA C 497 56.781 56.781 54.962 1.819 25010 2834 1 7 . 1 1 497 497 GLU CB C 497 29.722 29.722 31.863 -2.141 25010 2835 1 7 . 1 1 497 497 GLU H H 497 8.181 8.181 7.970 0.211 25010 2836 1 7 . 1 1 498 498 THR N N 498 113.761 113.761 115.323 -1.562 25010 2837 1 7 . 1 1 498 498 THR HA H 498 4.519 4.519 4.111 0.408 25010 2838 1 7 . 1 1 498 498 THR CA C 498 61.768 61.768 61.111 0.657 25010 2839 1 7 . 1 1 498 498 THR CB C 498 69.893 69.893 69.451 0.442 25010 2840 1 7 . 1 1 498 498 THR H H 498 8.077 8.077 8.068 0.009 25010 2841 1 7 . 1 1 499 499 PHE N N 499 119.315 119.315 120.167 -0.852 25010 2842 1 7 . 1 1 499 499 PHE HA H 499 4.571 4.571 4.529 0.042 25010 2843 1 7 . 1 1 499 499 PHE CA C 499 58.469 58.469 57.667 0.802 25010 2844 1 7 . 1 1 499 499 PHE CB C 499 38.648 38.648 38.214 0.434 25010 2845 1 7 . 1 1 499 499 PHE H H 499 8.089 8.089 8.390 -0.301 25010 2846 1 7 . 1 1 500 500 LYS N N 500 120.851 120.851 120.738 0.113 25010 2847 1 7 . 1 1 500 500 LYS HA H 500 4.146 4.146 4.212 -0.066 25010 2848 1 7 . 1 1 500 500 LYS CA C 500 57.814 57.814 58.233 -0.419 25010 2849 1 7 . 1 1 500 500 LYS CB C 500 33.603 33.603 32.970 0.633 25010 2850 1 7 . 1 1 500 500 LYS H H 500 8.100 8.100 8.097 0.003 25010 2851 1 7 . 1 1 501 501 TYR N N 501 114.551 114.551 113.110 1.441 25010 2852 1 7 . 1 1 501 501 TYR HA H 501 4.782 4.782 5.693 -0.911 25010 2853 1 7 . 1 1 501 501 TYR CA C 501 55.002 55.002 55.227 -0.225 25010 2854 1 7 . 1 1 501 501 TYR CB C 501 41.643 41.643 41.046 0.597 25010 2855 1 7 . 1 1 501 501 TYR H H 501 7.259 7.259 7.482 -0.223 25010 2856 1 7 . 1 1 502 502 TRP N N 502 119.304 119.304 120.662 -1.358 25010 2857 1 7 . 1 1 502 502 TRP HA H 502 5.351 5.351 4.922 0.429 25010 2858 1 7 . 1 1 502 502 TRP CA C 502 55.377 55.377 56.167 -0.790 25010 2859 1 7 . 1 1 502 502 TRP CB C 502 30.599 30.599 32.223 -1.624 25010 2860 1 7 . 1 1 502 502 TRP H H 502 8.399 8.399 8.830 -0.431 25010 2861 1 7 . 1 1 503 503 PHE N N 503 119.216 119.216 117.551 1.665 25010 2862 1 7 . 1 1 503 503 PHE HA H 503 5.382 5.382 5.734 -0.352 25010 2863 1 7 . 1 1 503 503 PHE CA C 503 54.961 54.961 55.323 -0.362 25010 2864 1 7 . 1 1 503 503 PHE CB C 503 41.607 41.607 42.585 -0.978 25010 2865 1 7 . 1 1 503 503 PHE H H 503 8.840 8.840 8.056 0.784 25010 2866 1 7 . 1 1 504 504 LYS N N 504 120.145 120.145 121.574 -1.429 25010 2867 1 7 . 1 1 504 504 LYS HA H 504 4.887 4.887 4.921 -0.034 25010 2868 1 7 . 1 1 504 504 LYS CA C 504 55.586 55.586 55.041 0.545 25010 2869 1 7 . 1 1 504 504 LYS CB C 504 36.415 36.415 36.233 0.182 25010 2870 1 7 . 1 1 504 504 LYS H H 504 8.870 8.870 9.123 -0.253 25010 2871 1 7 . 1 1 505 505 LYS N N 505 126.170 126.170 123.094 3.076 25010 2872 1 7 . 1 1 505 505 LYS HA H 505 4.901 4.901 4.647 0.254 25010 2873 1 7 . 1 1 505 505 LYS CA C 505 55.352 55.352 55.651 -0.298 25010 2874 1 7 . 1 1 505 505 LYS CB C 505 34.907 34.907 33.072 1.835 25010 2875 1 7 . 1 1 505 505 LYS H H 505 8.838 8.838 8.784 0.054 25010 2876 1 7 . 1 1 506 506 ASP N N 506 125.883 125.883 127.701 -1.818 25010 2877 1 7 . 1 1 506 506 ASP HA H 506 4.839 4.839 4.829 0.010 25010 2878 1 7 . 1 1 506 506 ASP CA C 506 52.564 52.564 53.326 -0.762 25010 2879 1 7 . 1 1 506 506 ASP CB C 506 41.961 41.961 40.251 1.710 25010 2880 1 7 . 1 1 506 506 ASP H H 506 8.947 8.947 8.736 0.211 25010 2881 1 7 . 1 1 507 507 GLY N N 507 114.432 114.432 111.965 2.467 25010 2882 1 7 . 1 1 507 507 GLY CA C 507 47.615 47.615 47.139 0.476 25010 2883 1 7 . 1 1 507 507 GLY H H 507 9.004 9.004 8.278 0.726 25010 2884 1 7 . 1 1 508 508 GLN N N 508 128.557 128.557 123.366 5.191 25010 2885 1 7 . 1 1 508 508 GLN HA H 508 4.119 4.119 4.406 -0.287 25010 2886 1 7 . 1 1 508 508 GLN CA C 508 57.237 57.237 55.525 1.712 25010 2887 1 7 . 1 1 508 508 GLN CB C 508 29.867 29.867 30.393 -0.526 25010 2888 1 7 . 1 1 508 508 GLN H H 508 9.448 9.448 8.172 1.276 25010 2889 1 7 . 1 1 509 509 ARG N N 509 120.332 120.332 119.502 0.830 25010 2890 1 7 . 1 1 509 509 ARG HA H 509 4.986 4.986 4.662 0.324 25010 2891 1 7 . 1 1 509 509 ARG CA C 509 56.146 56.146 54.874 1.272 25010 2892 1 7 . 1 1 509 509 ARG CB C 509 32.012 32.012 32.728 -0.716 25010 2893 1 7 . 1 1 509 509 ARG H H 509 8.215 8.215 7.924 0.291 25010 2894 1 7 . 1 1 510 510 HIS N N 510 122.773 122.773 123.521 -0.748 25010 2895 1 7 . 1 1 510 510 HIS HA H 510 5.136 5.136 5.733 -0.597 25010 2896 1 7 . 1 1 510 510 HIS CA C 510 56.449 56.449 54.511 1.938 25010 2897 1 7 . 1 1 510 510 HIS CB C 510 35.290 35.290 32.479 2.811 25010 2898 1 7 . 1 1 510 510 HIS H H 510 8.786 8.786 9.247 -0.461 25010 2899 1 7 . 1 1 511 511 HIS N N 511 119.128 119.128 124.123 -4.995 25010 2900 1 7 . 1 1 511 511 HIS HA H 511 6.075 6.075 5.062 1.013 25010 2901 1 7 . 1 1 511 511 HIS CA C 511 53.818 53.818 55.500 -1.682 25010 2902 1 7 . 1 1 511 511 HIS CB C 511 33.422 33.422 31.985 1.437 25010 2903 1 7 . 1 1 511 511 HIS H H 511 9.269 9.269 8.892 0.377 25010 2904 1 7 . 1 1 512 512 LEU N N 512 125.504 125.504 128.571 -3.067 25010 2905 1 7 . 1 1 512 512 LEU HA H 512 4.384 4.384 4.885 -0.501 25010 2906 1 7 . 1 1 512 512 LEU CA C 512 54.196 54.196 53.560 0.636 25010 2907 1 7 . 1 1 512 512 LEU CB C 512 42.275 42.275 43.771 -1.496 25010 2908 1 7 . 1 1 512 512 LEU H H 512 8.345 8.345 9.410 -1.065 25010 2909 1 7 . 1 1 513 513 ILE N N 513 127.867 127.867 128.670 -0.803 25010 2910 1 7 . 1 1 513 513 ILE HA H 513 4.907 4.907 4.106 0.801 25010 2911 1 7 . 1 1 513 513 ILE CA C 513 59.524 59.524 60.292 -0.768 25010 2912 1 7 . 1 1 513 513 ILE CB C 513 40.044 40.044 38.262 1.782 25010 2913 1 7 . 1 1 513 513 ILE H H 513 8.776 8.776 8.935 -0.160 25010 2914 1 7 . 1 1 514 514 ILE N N 514 125.882 125.882 129.036 -3.154 25010 2915 1 7 . 1 1 514 514 ILE HA H 514 4.354 4.354 4.655 -0.301 25010 2916 1 7 . 1 1 514 514 ILE CA C 514 60.058 60.058 60.675 -0.618 25010 2917 1 7 . 1 1 514 514 ILE CB C 514 39.802 39.802 38.782 1.020 25010 2918 1 7 . 1 1 514 514 ILE H H 514 8.777 8.777 7.900 0.877 25010 2919 1 7 . 1 1 515 515 ASN N N 515 124.270 124.270 125.890 -1.620 25010 2920 1 7 . 1 1 515 515 ASN HA H 515 4.277 4.277 4.609 -0.332 25010 2921 1 7 . 1 1 515 515 ASN CA C 515 57.166 57.166 55.898 1.268 25010 2922 1 7 . 1 1 515 515 ASN CB C 515 38.944 38.944 39.276 -0.332 25010 2923 1 7 . 1 1 515 515 ASN H H 515 8.068 8.068 8.684 -0.616 25010 2924 1 7 . 1 1 516 516 GLU N N 516 117.624 117.624 117.481 0.143 25010 2925 1 7 . 1 1 516 516 GLU HA H 516 3.841 3.841 4.634 -0.793 25010 2926 1 7 . 1 1 516 516 GLU CA C 516 55.032 55.032 55.158 -0.126 25010 2927 1 7 . 1 1 516 516 GLU CB C 516 31.030 31.030 33.237 -2.207 25010 2928 1 7 . 1 1 516 516 GLU H H 516 8.320 8.320 7.760 0.560 25010 2929 1 7 . 1 1 517 517 ALA N N 517 125.884 125.884 128.521 -2.637 25010 2930 1 7 . 1 1 517 517 ALA HA H 517 4.186 4.186 4.429 -0.243 25010 2931 1 7 . 1 1 517 517 ALA CA C 517 53.726 53.726 52.952 0.774 25010 2932 1 7 . 1 1 517 517 ALA CB C 517 18.902 18.902 20.162 -1.260 25010 2933 1 7 . 1 1 517 517 ALA H H 517 8.735 8.735 9.014 -0.279 25010 2934 1 7 . 1 1 518 518 MET N N 518 123.090 123.090 122.391 0.699 25010 2935 1 7 . 1 1 518 518 MET HA H 518 4.888 4.888 4.835 0.053 25010 2936 1 7 . 1 1 518 518 MET CA C 518 53.006 53.006 53.682 -0.676 25010 2937 1 7 . 1 1 518 518 MET CB C 518 36.535 36.535 36.099 0.436 25010 2938 1 7 . 1 1 518 518 MET H H 518 9.831 9.831 9.811 0.020 25010 2939 1 7 . 1 1 519 519 LEU N N 519 123.171 123.171 123.162 0.009 25010 2940 1 7 . 1 1 519 519 LEU HA H 519 3.846 3.846 4.100 -0.254 25010 2941 1 7 . 1 1 519 519 LEU CA C 519 59.407 59.407 58.312 1.095 25010 2942 1 7 . 1 1 519 519 LEU CB C 519 40.967 40.967 41.012 -0.045 25010 2943 1 7 . 1 1 519 519 LEU H H 519 9.108 9.108 8.758 0.350 25010 2944 1 7 . 1 1 520 520 GLU N N 520 115.409 115.409 118.701 -3.292 25010 2945 1 7 . 1 1 520 520 GLU HA H 520 4.257 4.257 4.044 0.213 25010 2946 1 7 . 1 1 520 520 GLU CA C 520 58.537 58.537 58.915 -0.378 25010 2947 1 7 . 1 1 520 520 GLU CB C 520 28.123 28.123 28.466 -0.343 25010 2948 1 7 . 1 1 520 520 GLU H H 520 9.118 9.118 8.781 0.337 25010 2949 1 7 . 1 1 521 521 ASP N N 521 117.154 117.154 118.440 -1.286 25010 2950 1 7 . 1 1 521 521 ASP HA H 521 4.692 4.692 4.726 -0.034 25010 2951 1 7 . 1 1 521 521 ASP CA C 521 56.134 56.134 56.083 0.051 25010 2952 1 7 . 1 1 521 521 ASP CB C 521 41.053 41.053 40.861 0.192 25010 2953 1 7 . 1 1 521 521 ASP H H 521 8.114 8.114 8.071 0.043 25010 2954 1 7 . 1 1 522 522 ALA N N 522 123.368 123.368 121.161 2.207 25010 2955 1 7 . 1 1 522 522 ALA HA H 522 4.159 4.159 4.332 -0.173 25010 2956 1 7 . 1 1 522 522 ALA CA C 522 53.689 53.689 52.893 0.796 25010 2957 1 7 . 1 1 522 522 ALA CB C 522 19.915 19.915 19.069 0.847 25010 2958 1 7 . 1 1 522 522 ALA H H 522 7.572 7.572 7.286 0.286 25010 2959 1 7 . 1 1 523 523 GLY N N 523 107.946 107.946 106.602 1.344 25010 2960 1 7 . 1 1 523 523 GLY CA C 523 45.093 45.093 44.218 0.875 25010 2961 1 7 . 1 1 523 523 GLY H H 523 8.509 8.509 7.262 1.247 25010 2962 1 7 . 1 1 524 524 HIS N N 524 119.840 119.840 125.225 -5.385 25010 2963 1 7 . 1 1 524 524 HIS HA H 524 5.290 5.290 4.312 0.978 25010 2964 1 7 . 1 1 524 524 HIS CA C 524 56.034 56.034 54.854 1.180 25010 2965 1 7 . 1 1 524 524 HIS CB C 524 30.145 30.145 28.164 1.981 25010 2966 1 7 . 1 1 524 524 HIS H H 524 9.142 9.142 8.740 0.402 25010 2967 1 7 . 1 1 525 525 TYR N N 525 127.518 127.518 125.799 1.719 25010 2968 1 7 . 1 1 525 525 TYR HA H 525 5.218 5.218 5.158 0.060 25010 2969 1 7 . 1 1 525 525 TYR CA C 525 57.358 57.358 58.526 -1.168 25010 2970 1 7 . 1 1 525 525 TYR CB C 525 40.926 40.926 38.830 2.096 25010 2971 1 7 . 1 1 525 525 TYR H H 525 9.590 9.590 8.127 1.463 25010 2972 1 7 . 1 1 526 526 ALA N N 526 121.840 121.840 124.839 -2.999 25010 2973 1 7 . 1 1 526 526 ALA HA H 526 5.608 5.608 4.810 0.798 25010 2974 1 7 . 1 1 526 526 ALA CA C 526 49.627 49.627 50.093 -0.466 25010 2975 1 7 . 1 1 526 526 ALA CB C 526 24.176 24.176 22.534 1.642 25010 2976 1 7 . 1 1 526 526 ALA H H 526 9.116 9.116 9.280 -0.164 25010 2977 1 7 . 1 1 527 527 LEU N N 527 121.819 121.819 123.727 -1.908 25010 2978 1 7 . 1 1 527 527 LEU HA H 527 4.564 4.564 4.557 0.007 25010 2979 1 7 . 1 1 527 527 LEU CA C 527 53.112 53.112 53.226 -0.114 25010 2980 1 7 . 1 1 527 527 LEU CB C 527 42.995 42.995 43.529 -0.534 25010 2981 1 7 . 1 1 527 527 LEU H H 527 8.177 8.177 8.868 -0.691 25010 2982 1 7 . 1 1 528 528 CYS N N 528 122.918 122.918 127.968 -5.050 25010 2983 1 7 . 1 1 528 528 CYS HA H 528 4.995 4.995 4.624 0.371 25010 2984 1 7 . 1 1 528 528 CYS CA C 528 57.302 57.302 58.992 -1.690 25010 2985 1 7 . 1 1 528 528 CYS CB C 528 29.928 29.928 27.269 2.659 25010 2986 1 7 . 1 1 528 528 CYS H H 528 8.991 8.991 8.978 0.013 25010 2987 1 7 . 1 1 529 529 THR N N 529 116.311 116.311 120.249 -3.938 25010 2988 1 7 . 1 1 529 529 THR HA H 529 4.717 4.717 4.555 0.162 25010 2989 1 7 . 1 1 529 529 THR CA C 529 59.605 59.605 60.606 -1.001 25010 2990 1 7 . 1 1 529 529 THR CB C 529 71.228 71.228 70.789 0.439 25010 2991 1 7 . 1 1 529 529 THR H H 529 8.688 8.688 8.367 0.321 25010 2992 1 7 . 1 1 530 530 SER N N 530 115.043 115.043 118.012 -2.969 25010 2993 1 7 . 1 1 530 530 SER HA H 530 4.284 4.284 4.411 -0.127 25010 2994 1 7 . 1 1 530 530 SER CA C 530 59.975 59.975 59.906 0.069 25010 2995 1 7 . 1 1 530 530 SER CB C 530 62.698 62.698 63.532 -0.834 25010 2996 1 7 . 1 1 530 530 SER H H 530 9.371 9.371 8.921 0.450 25010 2997 1 7 . 1 1 531 531 GLY N N 531 108.631 108.631 109.139 -0.508 25010 2998 1 7 . 1 1 531 531 GLY CA C 531 45.295 45.295 44.487 0.808 25010 2999 1 7 . 1 1 531 531 GLY H H 531 8.173 8.173 7.538 0.635 25010 3000 1 7 . 1 1 532 532 GLY N N 532 109.029 109.029 110.492 -1.463 25010 3001 1 7 . 1 1 532 532 GLY CA C 532 45.389 45.389 44.805 0.584 25010 3002 1 7 . 1 1 532 532 GLY H H 532 7.540 7.540 7.793 -0.253 25010 3003 1 7 . 1 1 533 533 GLN N N 533 116.724 116.724 123.729 -7.005 25010 3004 1 7 . 1 1 533 533 GLN HA H 533 5.357 5.357 4.332 1.025 25010 3005 1 7 . 1 1 533 533 GLN CA C 533 54.682 54.682 54.509 0.173 25010 3006 1 7 . 1 1 533 533 GLN CB C 533 32.353 32.353 29.717 2.636 25010 3007 1 7 . 1 1 533 533 GLN H H 533 8.309 8.309 8.081 0.228 25010 3008 1 7 . 1 1 534 534 ALA N N 534 126.868 126.868 126.698 0.170 25010 3009 1 7 . 1 1 534 534 ALA HA H 534 4.870 4.870 4.752 0.118 25010 3010 1 7 . 1 1 534 534 ALA CA C 534 50.764 50.764 50.867 -0.103 25010 3011 1 7 . 1 1 534 534 ALA CB C 534 22.046 22.046 20.226 1.820 25010 3012 1 7 . 1 1 534 534 ALA H H 534 8.876 8.876 8.367 0.509 25010 3013 1 7 . 1 1 535 535 LEU N N 535 122.735 122.735 124.250 -1.515 25010 3014 1 7 . 1 1 535 535 LEU HA H 535 5.401 5.401 4.686 0.715 25010 3015 1 7 . 1 1 535 535 LEU CA C 535 54.530 54.530 54.427 0.103 25010 3016 1 7 . 1 1 535 535 LEU CB C 535 46.423 46.423 44.343 2.080 25010 3017 1 7 . 1 1 535 535 LEU H H 535 8.445 8.445 8.684 -0.239 25010 3018 1 7 . 1 1 536 536 ALA N N 536 125.503 125.503 129.201 -3.698 25010 3019 1 7 . 1 1 536 536 ALA HA H 536 4.758 4.758 4.669 0.089 25010 3020 1 7 . 1 1 536 536 ALA CA C 536 51.975 51.975 51.206 0.769 25010 3021 1 7 . 1 1 536 536 ALA CB C 536 24.534 24.534 21.755 2.779 25010 3022 1 7 . 1 1 536 536 ALA H H 536 9.375 9.375 8.637 0.738 25010 3023 1 7 . 1 1 537 537 GLU N N 537 121.939 121.939 122.897 -0.958 25010 3024 1 7 . 1 1 537 537 GLU HA H 537 4.942 4.942 4.254 0.688 25010 3025 1 7 . 1 1 537 537 GLU CA C 537 55.059 55.059 55.394 -0.335 25010 3026 1 7 . 1 1 537 537 GLU CB C 537 31.991 31.991 29.364 2.627 25010 3027 1 7 . 1 1 537 537 GLU H H 537 9.320 9.320 8.490 0.830 25010 3028 1 7 . 1 1 538 538 LEU N N 538 125.030 125.030 126.460 -1.430 25010 3029 1 7 . 1 1 538 538 LEU HA H 538 5.372 5.372 4.750 0.622 25010 3030 1 7 . 1 1 538 538 LEU CA C 538 53.663 53.663 54.474 -0.811 25010 3031 1 7 . 1 1 538 538 LEU CB C 538 45.180 45.180 44.621 0.559 25010 3032 1 7 . 1 1 538 538 LEU H H 538 9.306 9.306 8.334 0.972 25010 3033 1 7 . 1 1 539 539 ILE N N 539 130.825 130.825 126.660 4.165 25010 3034 1 7 . 1 1 539 539 ILE HA H 539 4.304 4.304 4.464 -0.160 25010 3035 1 7 . 1 1 539 539 ILE CA C 539 61.221 61.221 60.567 0.654 25010 3036 1 7 . 1 1 539 539 ILE CB C 539 39.938 39.938 40.683 -0.745 25010 3037 1 7 . 1 1 539 539 ILE H H 539 8.908 8.908 8.636 0.272 25010 3038 1 7 . 1 1 540 540 VAL N N 540 125.447 125.447 126.940 -1.493 25010 3039 1 7 . 1 1 540 540 VAL HA H 540 4.806 4.806 4.869 -0.063 25010 3040 1 7 . 1 1 540 540 VAL CA C 540 60.340 60.340 60.390 -0.050 25010 3041 1 7 . 1 1 540 540 VAL CB C 540 33.794 33.794 31.611 2.183 25010 3042 1 7 . 1 1 540 540 VAL H H 540 7.890 7.890 8.622 -0.732 25010 3043 1 7 . 1 1 541 541 GLN N N 541 126.060 126.060 128.336 -2.276 25010 3044 1 7 . 1 1 541 541 GLN HA H 541 4.652 4.652 4.505 0.147 25010 3045 1 7 . 1 1 541 541 GLN CA C 541 54.441 54.441 54.988 -0.547 25010 3046 1 7 . 1 1 541 541 GLN CB C 541 30.994 30.994 30.239 0.755 25010 3047 1 7 . 1 1 541 541 GLN H H 541 9.089 9.089 8.446 0.643 25010 3048 1 7 . 1 1 542 542 GLU N N 542 122.213 122.213 122.789 -0.576 25010 3049 1 7 . 1 1 542 542 GLU HA H 542 4.340 4.340 4.409 -0.069 25010 3050 1 7 . 1 1 542 542 GLU CA C 542 57.168 57.168 55.360 1.808 25010 3051 1 7 . 1 1 542 542 GLU CB C 542 32.061 32.061 30.747 1.314 25010 3052 1 7 . 1 1 542 542 GLU H H 542 8.763 8.763 8.522 0.241 25010 3053 1 8 . 1 1 451 451 HIS HA H 451 4.666 4.666 4.713 -0.047 25010 3054 1 8 . 1 1 451 451 HIS CA C 451 56.039 56.039 56.044 -0.005 25010 3055 1 8 . 1 1 451 451 HIS CB C 451 30.388 30.388 29.592 0.796 25010 3056 1 8 . 1 1 452 452 MET N N 452 123.092 123.092 125.113 -2.021 25010 3057 1 8 . 1 1 452 452 MET CB C 452 32.012 32.012 32.755 -0.743 25010 3058 1 8 . 1 1 452 452 MET H H 452 8.328 8.328 7.853 0.475 25010 3059 1 8 . 1 1 453 453 PRO HA H 453 4.316 4.316 4.335 -0.019 25010 3060 1 8 . 1 1 453 453 PRO CA C 453 62.807 62.807 62.039 0.767 25010 3061 1 8 . 1 1 453 453 PRO CB C 453 32.230 32.230 32.133 0.097 25010 3062 1 8 . 1 1 454 454 VAL N N 454 122.113 122.113 121.087 1.026 25010 3063 1 8 . 1 1 454 454 VAL HA H 454 3.762 3.762 3.868 -0.106 25010 3064 1 8 . 1 1 454 454 VAL CA C 454 63.093 63.093 62.581 0.512 25010 3065 1 8 . 1 1 454 454 VAL CB C 454 32.192 32.192 31.163 1.029 25010 3066 1 8 . 1 1 454 454 VAL H H 454 7.806 7.806 8.155 -0.349 25010 3067 1 8 . 1 1 455 455 LEU N N 455 129.322 129.322 128.606 0.716 25010 3068 1 8 . 1 1 455 455 LEU HA H 455 4.459 4.459 4.407 0.052 25010 3069 1 8 . 1 1 455 455 LEU CA C 455 53.133 53.133 53.680 -0.547 25010 3070 1 8 . 1 1 455 455 LEU CB C 455 43.699 43.699 41.900 1.799 25010 3071 1 8 . 1 1 455 455 LEU H H 455 8.586 8.586 8.330 0.256 25010 3072 1 8 . 1 1 456 456 ILE N N 456 120.924 120.924 125.017 -4.093 25010 3073 1 8 . 1 1 456 456 ILE HA H 456 4.259 4.259 4.097 0.162 25010 3074 1 8 . 1 1 456 456 ILE CA C 456 60.937 60.937 60.372 0.565 25010 3075 1 8 . 1 1 456 456 ILE CB C 456 36.860 36.860 36.151 0.709 25010 3076 1 8 . 1 1 456 456 ILE H H 456 8.519 8.519 8.576 -0.057 25010 3077 1 8 . 1 1 457 457 THR N N 457 120.896 120.896 122.925 -2.029 25010 3078 1 8 . 1 1 457 457 THR HA H 457 4.297 4.297 4.094 0.203 25010 3079 1 8 . 1 1 457 457 THR CA C 457 62.783 62.783 64.880 -2.098 25010 3080 1 8 . 1 1 457 457 THR CB C 457 67.927 67.927 69.420 -1.493 25010 3081 1 8 . 1 1 457 457 THR H H 457 8.671 8.671 8.392 0.279 25010 3082 1 8 . 1 1 458 458 ARG N N 458 122.706 122.706 119.945 2.761 25010 3083 1 8 . 1 1 458 458 ARG HA H 458 4.931 4.931 4.814 0.117 25010 3084 1 8 . 1 1 458 458 ARG CA C 458 53.816 53.816 53.239 0.578 25010 3085 1 8 . 1 1 458 458 ARG CB C 458 32.443 32.443 32.163 0.280 25010 3086 1 8 . 1 1 458 458 ARG H H 458 7.576 7.576 7.601 -0.025 25010 3087 1 8 . 1 1 459 459 PRO HA H 459 4.315 4.315 4.421 -0.106 25010 3088 1 8 . 1 1 459 459 PRO CA C 459 62.763 62.763 62.359 0.404 25010 3089 1 8 . 1 1 459 459 PRO CB C 459 32.644 32.644 32.425 0.219 25010 3090 1 8 . 1 1 460 460 LEU N N 460 115.406 115.406 120.943 -5.537 25010 3091 1 8 . 1 1 460 460 LEU HA H 460 4.575 4.575 4.364 0.211 25010 3092 1 8 . 1 1 460 460 LEU CA C 460 55.114 55.114 54.298 0.816 25010 3093 1 8 . 1 1 460 460 LEU CB C 460 45.383 45.383 42.439 2.944 25010 3094 1 8 . 1 1 460 460 LEU H H 460 6.134 6.134 7.978 -1.844 25010 3095 1 8 . 1 1 461 461 GLU N N 461 120.629 120.629 120.538 0.091 25010 3096 1 8 . 1 1 461 461 GLU HA H 461 4.826 4.826 4.158 0.668 25010 3097 1 8 . 1 1 461 461 GLU CA C 461 54.846 54.846 56.919 -2.073 25010 3098 1 8 . 1 1 461 461 GLU CB C 461 32.513 32.513 29.838 2.675 25010 3099 1 8 . 1 1 461 461 GLU H H 461 8.409 8.409 8.256 0.153 25010 3100 1 8 . 1 1 462 462 ASP N N 462 122.487 122.487 122.080 0.407 25010 3101 1 8 . 1 1 462 462 ASP HA H 462 5.043 5.043 4.414 0.629 25010 3102 1 8 . 1 1 462 462 ASP CA C 462 55.551 55.551 54.390 1.161 25010 3103 1 8 . 1 1 462 462 ASP CB C 462 41.180 41.180 41.300 -0.120 25010 3104 1 8 . 1 1 462 462 ASP H H 462 8.603 8.603 8.504 0.099 25010 3105 1 8 . 1 1 463 463 GLN N N 463 117.119 117.119 119.480 -2.361 25010 3106 1 8 . 1 1 463 463 GLN HA H 463 4.687 4.687 4.334 0.353 25010 3107 1 8 . 1 1 463 463 GLN CA C 463 54.383 54.383 55.189 -0.806 25010 3108 1 8 . 1 1 463 463 GLN CB C 463 33.212 33.212 29.812 3.400 25010 3109 1 8 . 1 1 463 463 GLN H H 463 8.785 8.785 7.725 1.060 25010 3110 1 8 . 1 1 464 464 LEU N N 464 127.523 127.523 123.581 3.942 25010 3111 1 8 . 1 1 464 464 LEU HA H 464 5.337 5.337 4.524 0.813 25010 3112 1 8 . 1 1 464 464 LEU CA C 464 54.511 54.511 54.631 -0.120 25010 3113 1 8 . 1 1 464 464 LEU CB C 464 44.048 44.048 43.233 0.815 25010 3114 1 8 . 1 1 464 464 LEU H H 464 8.420 8.420 8.299 0.121 25010 3115 1 8 . 1 1 465 465 VAL N N 465 119.244 119.244 121.703 -2.459 25010 3116 1 8 . 1 1 465 465 VAL HA H 465 4.796 4.796 4.740 0.056 25010 3117 1 8 . 1 1 465 465 VAL CA C 465 58.546 58.546 60.079 -1.533 25010 3118 1 8 . 1 1 465 465 VAL CB C 465 36.136 36.136 36.292 -0.156 25010 3119 1 8 . 1 1 465 465 VAL H H 465 8.730 8.730 8.779 -0.049 25010 3120 1 8 . 1 1 466 466 MET N N 466 119.234 119.234 115.991 3.243 25010 3121 1 8 . 1 1 466 466 MET HA H 466 5.269 5.269 5.460 -0.191 25010 3122 1 8 . 1 1 466 466 MET CA C 466 52.842 52.842 54.078 -1.236 25010 3123 1 8 . 1 1 466 466 MET CB C 466 33.563 33.563 35.880 -2.317 25010 3124 1 8 . 1 1 466 466 MET H H 466 8.099 8.099 8.053 0.046 25010 3125 1 8 . 1 1 467 467 VAL N N 467 119.519 119.519 119.755 -0.236 25010 3126 1 8 . 1 1 467 467 VAL HA H 467 3.457 3.457 3.802 -0.345 25010 3127 1 8 . 1 1 467 467 VAL CA C 467 64.434 64.434 63.686 0.748 25010 3128 1 8 . 1 1 467 467 VAL CB C 467 32.220 32.220 31.995 0.225 25010 3129 1 8 . 1 1 467 467 VAL H H 467 7.917 7.917 8.380 -0.463 25010 3130 1 8 . 1 1 468 468 GLY N N 468 115.365 115.365 112.982 2.383 25010 3131 1 8 . 1 1 468 468 GLY CA C 468 44.814 44.814 44.728 0.086 25010 3132 1 8 . 1 1 468 468 GLY H H 468 9.845 9.845 8.267 1.578 25010 3133 1 8 . 1 1 469 469 GLN N N 469 120.329 120.329 118.031 2.298 25010 3134 1 8 . 1 1 469 469 GLN HA H 469 4.433 4.433 4.623 -0.190 25010 3135 1 8 . 1 1 469 469 GLN CA C 469 55.841 55.841 53.634 2.207 25010 3136 1 8 . 1 1 469 469 GLN CB C 469 30.198 30.198 30.890 -0.692 25010 3137 1 8 . 1 1 469 469 GLN H H 469 7.984 7.984 7.593 0.391 25010 3138 1 8 . 1 1 470 470 ARG N N 470 122.940 122.940 120.713 2.227 25010 3139 1 8 . 1 1 470 470 ARG HA H 470 4.603 4.603 4.493 0.110 25010 3140 1 8 . 1 1 470 470 ARG CA C 470 55.873 55.873 55.924 -0.051 25010 3141 1 8 . 1 1 470 470 ARG CB C 470 31.614 31.614 31.037 0.577 25010 3142 1 8 . 1 1 470 470 ARG H H 470 8.138 8.138 8.528 -0.390 25010 3143 1 8 . 1 1 471 471 VAL N N 471 127.100 127.100 119.274 7.826 25010 3144 1 8 . 1 1 471 471 VAL HA H 471 4.135 4.135 4.321 -0.186 25010 3145 1 8 . 1 1 471 471 VAL CA C 471 60.424 60.424 60.391 0.033 25010 3146 1 8 . 1 1 471 471 VAL CB C 471 34.725 34.725 34.215 0.510 25010 3147 1 8 . 1 1 471 471 VAL H H 471 8.869 8.869 8.553 0.316 25010 3148 1 8 . 1 1 472 472 GLU N N 472 126.220 126.220 124.132 2.088 25010 3149 1 8 . 1 1 472 472 GLU HA H 472 5.096 5.096 4.693 0.403 25010 3150 1 8 . 1 1 472 472 GLU CA C 472 54.644 54.644 54.341 0.303 25010 3151 1 8 . 1 1 472 472 GLU CB C 472 32.890 32.890 32.057 0.833 25010 3152 1 8 . 1 1 472 472 GLU H H 472 8.601 8.601 8.012 0.589 25010 3153 1 8 . 1 1 473 473 PHE N N 473 125.641 125.641 123.960 1.681 25010 3154 1 8 . 1 1 473 473 PHE HA H 473 4.747 4.747 4.998 -0.251 25010 3155 1 8 . 1 1 473 473 PHE CA C 473 57.513 57.513 55.970 1.543 25010 3156 1 8 . 1 1 473 473 PHE CB C 473 41.975 41.975 41.795 0.180 25010 3157 1 8 . 1 1 473 473 PHE H H 473 9.275 9.275 9.012 0.263 25010 3158 1 8 . 1 1 474 474 GLU N N 474 120.663 120.663 123.165 -2.502 25010 3159 1 8 . 1 1 474 474 GLU HA H 474 5.369 5.369 4.771 0.598 25010 3160 1 8 . 1 1 474 474 GLU CA C 474 54.976 54.976 55.215 -0.238 25010 3161 1 8 . 1 1 474 474 GLU CB C 474 32.849 32.849 32.030 0.819 25010 3162 1 8 . 1 1 474 474 GLU H H 474 8.452 8.452 8.963 -0.511 25010 3163 1 8 . 1 1 475 475 CYS N N 475 121.477 121.477 122.263 -0.786 25010 3164 1 8 . 1 1 475 475 CYS HA H 475 4.818 4.818 4.944 -0.126 25010 3165 1 8 . 1 1 475 475 CYS CA C 475 56.706 56.706 56.833 -0.127 25010 3166 1 8 . 1 1 475 475 CYS CB C 475 30.937 30.937 29.793 1.144 25010 3167 1 8 . 1 1 475 475 CYS H H 475 9.015 9.015 8.477 0.538 25010 3168 1 8 . 1 1 476 476 GLU N N 476 123.383 123.383 122.694 0.689 25010 3169 1 8 . 1 1 476 476 GLU HA H 476 5.522 5.522 4.786 0.736 25010 3170 1 8 . 1 1 476 476 GLU CA C 476 55.076 55.076 54.323 0.753 25010 3171 1 8 . 1 1 476 476 GLU CB C 476 33.796 33.796 32.004 1.792 25010 3172 1 8 . 1 1 476 476 GLU H H 476 8.574 8.574 8.299 0.275 25010 3173 1 8 . 1 1 477 477 VAL N N 477 116.481 116.481 114.658 1.823 25010 3174 1 8 . 1 1 477 477 VAL HA H 477 5.430 5.430 4.709 0.721 25010 3175 1 8 . 1 1 477 477 VAL CA C 477 58.827 58.827 58.991 -0.164 25010 3176 1 8 . 1 1 477 477 VAL CB C 477 34.087 34.087 33.697 0.390 25010 3177 1 8 . 1 1 477 477 VAL H H 477 8.739 8.739 8.587 0.152 25010 3178 1 8 . 1 1 478 478 SER N N 478 111.234 111.234 115.112 -3.878 25010 3179 1 8 . 1 1 478 478 SER HA H 478 4.072 4.072 4.447 -0.375 25010 3180 1 8 . 1 1 478 478 SER CA C 478 60.984 60.984 59.614 1.370 25010 3181 1 8 . 1 1 478 478 SER CB C 478 63.568 63.568 64.302 -0.734 25010 3182 1 8 . 1 1 478 478 SER H H 478 8.779 8.779 8.292 0.487 25010 3183 1 8 . 1 1 479 479 GLU N N 479 116.983 116.983 121.158 -4.175 25010 3184 1 8 . 1 1 479 479 GLU HA H 479 4.872 4.872 4.422 0.450 25010 3185 1 8 . 1 1 479 479 GLU CA C 479 54.615 54.615 55.173 -0.558 25010 3186 1 8 . 1 1 479 479 GLU CB C 479 33.654 33.654 30.877 2.777 25010 3187 1 8 . 1 1 479 479 GLU H H 479 6.800 6.800 8.206 -1.406 25010 3188 1 8 . 1 1 480 480 GLU N N 480 124.422 124.422 126.223 -1.801 25010 3189 1 8 . 1 1 480 480 GLU HA H 480 4.405 4.405 4.222 0.183 25010 3190 1 8 . 1 1 480 480 GLU CA C 480 57.861 57.861 56.450 1.411 25010 3191 1 8 . 1 1 480 480 GLU CB C 480 29.787 29.787 29.679 0.108 25010 3192 1 8 . 1 1 480 480 GLU H H 480 9.243 9.243 8.819 0.424 25010 3193 1 8 . 1 1 481 481 GLY CA C 481 45.916 45.916 44.962 0.954 25010 3194 1 8 . 1 1 482 482 ALA N N 482 121.277 121.277 125.679 -4.402 25010 3195 1 8 . 1 1 482 482 ALA HA H 482 4.513 4.513 4.449 0.064 25010 3196 1 8 . 1 1 482 482 ALA CA C 482 52.243 52.243 52.011 0.232 25010 3197 1 8 . 1 1 482 482 ALA CB C 482 20.653 20.653 19.236 1.417 25010 3198 1 8 . 1 1 482 482 ALA H H 482 7.449 7.449 7.518 -0.069 25010 3199 1 8 . 1 1 483 483 GLN N N 483 121.318 121.318 122.875 -1.557 25010 3200 1 8 . 1 1 483 483 GLN HA H 483 4.481 4.481 4.651 -0.170 25010 3201 1 8 . 1 1 483 483 GLN CA C 483 55.471 55.471 54.915 0.556 25010 3202 1 8 . 1 1 483 483 GLN CB C 483 28.077 28.077 31.859 -3.782 25010 3203 1 8 . 1 1 483 483 GLN H H 483 8.541 8.541 8.565 -0.024 25010 3204 1 8 . 1 1 484 484 VAL N N 484 118.395 118.395 113.147 5.248 25010 3205 1 8 . 1 1 484 484 VAL HA H 484 4.919 4.919 4.833 0.086 25010 3206 1 8 . 1 1 484 484 VAL CA C 484 58.491 58.491 59.216 -0.725 25010 3207 1 8 . 1 1 484 484 VAL CB C 484 34.518 34.518 34.682 -0.164 25010 3208 1 8 . 1 1 484 484 VAL H H 484 8.283 8.283 7.966 0.317 25010 3209 1 8 . 1 1 485 485 LYS N N 485 119.957 119.957 123.088 -3.131 25010 3210 1 8 . 1 1 485 485 LYS HA H 485 4.594 4.594 4.689 -0.095 25010 3211 1 8 . 1 1 485 485 LYS CA C 485 55.038 55.038 54.475 0.563 25010 3212 1 8 . 1 1 485 485 LYS CB C 485 36.678 36.678 36.111 0.567 25010 3213 1 8 . 1 1 485 485 LYS H H 485 8.039 8.039 8.540 -0.501 25010 3214 1 8 . 1 1 486 486 TRP N N 486 123.677 123.677 123.899 -0.222 25010 3215 1 8 . 1 1 486 486 TRP HA H 486 5.608 5.608 5.094 0.514 25010 3216 1 8 . 1 1 486 486 TRP CA C 486 55.766 55.766 56.420 -0.654 25010 3217 1 8 . 1 1 486 486 TRP CB C 486 32.033 32.033 31.069 0.964 25010 3218 1 8 . 1 1 486 486 TRP H H 486 8.767 8.767 8.628 0.139 25010 3219 1 8 . 1 1 487 487 LEU N N 487 121.292 121.292 123.688 -2.396 25010 3220 1 8 . 1 1 487 487 LEU HA H 487 5.199 5.199 4.809 0.390 25010 3221 1 8 . 1 1 487 487 LEU CA C 487 53.645 53.645 54.076 -0.431 25010 3222 1 8 . 1 1 487 487 LEU CB C 487 46.241 46.241 46.402 -0.161 25010 3223 1 8 . 1 1 487 487 LEU H H 487 9.599 9.599 9.343 0.256 25010 3224 1 8 . 1 1 488 488 LYS N N 488 119.097 119.097 127.693 -8.596 25010 3225 1 8 . 1 1 488 488 LYS HA H 488 4.448 4.448 4.359 0.089 25010 3226 1 8 . 1 1 488 488 LYS CA C 488 55.221 55.221 55.016 0.205 25010 3227 1 8 . 1 1 488 488 LYS CB C 488 35.636 35.636 33.230 2.406 25010 3228 1 8 . 1 1 488 488 LYS H H 488 8.702 8.702 9.073 -0.371 25010 3229 1 8 . 1 1 489 489 ASP N N 489 130.255 130.255 127.916 2.339 25010 3230 1 8 . 1 1 489 489 ASP HA H 489 4.377 4.377 4.263 0.114 25010 3231 1 8 . 1 1 489 489 ASP CA C 489 55.843 55.843 55.343 0.500 25010 3232 1 8 . 1 1 489 489 ASP CB C 489 40.211 40.211 39.902 0.309 25010 3233 1 8 . 1 1 489 489 ASP H H 489 9.895 9.895 9.077 0.818 25010 3234 1 8 . 1 1 490 490 GLY N N 490 101.682 101.682 103.666 -1.984 25010 3235 1 8 . 1 1 490 490 GLY CA C 490 45.394 45.394 45.136 0.258 25010 3236 1 8 . 1 1 490 490 GLY H H 490 8.673 8.673 8.652 0.021 25010 3237 1 8 . 1 1 491 491 VAL N N 491 123.371 123.371 123.023 0.348 25010 3238 1 8 . 1 1 491 491 VAL HA H 491 4.197 4.197 4.138 0.059 25010 3239 1 8 . 1 1 491 491 VAL CA C 491 61.597 61.597 61.456 0.141 25010 3240 1 8 . 1 1 491 491 VAL CB C 491 33.598 33.598 33.086 0.513 25010 3241 1 8 . 1 1 491 491 VAL H H 491 7.954 7.954 7.830 0.124 25010 3242 1 8 . 1 1 492 492 GLU N N 492 127.934 127.934 127.314 0.620 25010 3243 1 8 . 1 1 492 492 GLU HA H 492 4.410 4.410 4.325 0.085 25010 3244 1 8 . 1 1 492 492 GLU CA C 492 57.649 57.649 55.941 1.708 25010 3245 1 8 . 1 1 492 492 GLU CB C 492 29.242 29.242 30.441 -1.198 25010 3246 1 8 . 1 1 492 492 GLU H H 492 8.781 8.781 8.642 0.139 25010 3247 1 8 . 1 1 493 493 LEU N N 493 127.787 127.787 124.700 3.087 25010 3248 1 8 . 1 1 493 493 LEU HA H 493 4.591 4.591 4.690 -0.099 25010 3249 1 8 . 1 1 493 493 LEU CA C 493 54.628 54.628 55.091 -0.463 25010 3250 1 8 . 1 1 493 493 LEU CB C 493 41.823 41.823 42.352 -0.529 25010 3251 1 8 . 1 1 493 493 LEU H H 493 8.934 8.934 8.730 0.204 25010 3252 1 8 . 1 1 494 494 THR N N 494 114.564 114.564 114.066 0.498 25010 3253 1 8 . 1 1 494 494 THR HA H 494 4.238 4.238 4.541 -0.303 25010 3254 1 8 . 1 1 494 494 THR CA C 494 61.209 61.209 60.492 0.716 25010 3255 1 8 . 1 1 494 494 THR CB C 494 70.420 70.420 69.824 0.596 25010 3256 1 8 . 1 1 494 494 THR H H 494 8.338 8.338 8.277 0.061 25010 3257 1 8 . 1 1 495 495 ARG N N 495 121.286 121.286 121.154 0.132 25010 3258 1 8 . 1 1 495 495 ARG HA H 495 4.421 4.421 4.510 -0.089 25010 3259 1 8 . 1 1 495 495 ARG CA C 495 56.805 56.805 55.664 1.141 25010 3260 1 8 . 1 1 495 495 ARG CB C 495 30.014 30.014 29.917 0.097 25010 3261 1 8 . 1 1 495 495 ARG H H 495 8.580 8.580 8.711 -0.131 25010 3262 1 8 . 1 1 496 496 GLU N N 496 120.070 120.070 119.949 0.121 25010 3263 1 8 . 1 1 496 496 GLU HA H 496 4.341 4.341 4.127 0.214 25010 3264 1 8 . 1 1 496 496 GLU CA C 496 57.093 57.093 58.117 -1.024 25010 3265 1 8 . 1 1 496 496 GLU CB C 496 29.927 29.927 30.070 -0.143 25010 3266 1 8 . 1 1 496 496 GLU H H 496 8.304 8.304 7.851 0.453 25010 3267 1 8 . 1 1 497 497 GLU N N 497 120.611 120.611 119.744 0.867 25010 3268 1 8 . 1 1 497 497 GLU HA H 497 4.390 4.390 4.423 -0.033 25010 3269 1 8 . 1 1 497 497 GLU CA C 497 56.781 56.781 56.098 0.683 25010 3270 1 8 . 1 1 497 497 GLU CB C 497 29.722 29.722 30.163 -0.441 25010 3271 1 8 . 1 1 497 497 GLU H H 497 8.181 8.181 8.214 -0.033 25010 3272 1 8 . 1 1 498 498 THR N N 498 113.761 113.761 120.373 -6.612 25010 3273 1 8 . 1 1 498 498 THR HA H 498 4.519 4.519 4.298 0.221 25010 3274 1 8 . 1 1 498 498 THR CA C 498 61.768 61.768 61.838 -0.070 25010 3275 1 8 . 1 1 498 498 THR CB C 498 69.893 69.893 69.098 0.795 25010 3276 1 8 . 1 1 498 498 THR H H 498 8.077 8.077 8.357 -0.280 25010 3277 1 8 . 1 1 499 499 PHE N N 499 119.315 119.315 120.212 -0.897 25010 3278 1 8 . 1 1 499 499 PHE HA H 499 4.571 4.571 4.195 0.376 25010 3279 1 8 . 1 1 499 499 PHE CA C 499 58.469 58.469 58.963 -0.494 25010 3280 1 8 . 1 1 499 499 PHE CB C 499 38.648 38.648 38.648 -0.000 25010 3281 1 8 . 1 1 499 499 PHE H H 499 8.089 8.089 7.673 0.416 25010 3282 1 8 . 1 1 500 500 LYS N N 500 120.851 120.851 118.633 2.218 25010 3283 1 8 . 1 1 500 500 LYS HA H 500 4.146 4.146 4.091 0.055 25010 3284 1 8 . 1 1 500 500 LYS CA C 500 57.814 57.814 58.646 -0.832 25010 3285 1 8 . 1 1 500 500 LYS CB C 500 33.603 33.603 33.449 0.154 25010 3286 1 8 . 1 1 500 500 LYS H H 500 8.100 8.100 8.046 0.054 25010 3287 1 8 . 1 1 501 501 TYR N N 501 114.551 114.551 110.884 3.667 25010 3288 1 8 . 1 1 501 501 TYR HA H 501 4.782 4.782 5.022 -0.240 25010 3289 1 8 . 1 1 501 501 TYR CA C 501 55.002 55.002 54.385 0.617 25010 3290 1 8 . 1 1 501 501 TYR CB C 501 41.643 41.643 40.521 1.122 25010 3291 1 8 . 1 1 501 501 TYR H H 501 7.259 7.259 7.253 0.006 25010 3292 1 8 . 1 1 502 502 TRP N N 502 119.304 119.304 119.735 -0.431 25010 3293 1 8 . 1 1 502 502 TRP HA H 502 5.351 5.351 5.021 0.330 25010 3294 1 8 . 1 1 502 502 TRP CA C 502 55.377 55.377 54.941 0.436 25010 3295 1 8 . 1 1 502 502 TRP CB C 502 30.599 30.599 31.614 -1.015 25010 3296 1 8 . 1 1 502 502 TRP H H 502 8.399 8.399 8.766 -0.367 25010 3297 1 8 . 1 1 503 503 PHE N N 503 119.216 119.216 119.048 0.168 25010 3298 1 8 . 1 1 503 503 PHE HA H 503 5.382 5.382 5.725 -0.343 25010 3299 1 8 . 1 1 503 503 PHE CA C 503 54.961 54.961 55.216 -0.255 25010 3300 1 8 . 1 1 503 503 PHE CB C 503 41.607 41.607 42.284 -0.677 25010 3301 1 8 . 1 1 503 503 PHE H H 503 8.840 8.840 8.253 0.587 25010 3302 1 8 . 1 1 504 504 LYS N N 504 120.145 120.145 122.630 -2.485 25010 3303 1 8 . 1 1 504 504 LYS HA H 504 4.887 4.887 4.671 0.216 25010 3304 1 8 . 1 1 504 504 LYS CA C 504 55.586 55.586 54.682 0.904 25010 3305 1 8 . 1 1 504 504 LYS CB C 504 36.415 36.415 34.887 1.528 25010 3306 1 8 . 1 1 504 504 LYS H H 504 8.870 8.870 9.089 -0.219 25010 3307 1 8 . 1 1 505 505 LYS N N 505 126.170 126.170 124.142 2.028 25010 3308 1 8 . 1 1 505 505 LYS HA H 505 4.901 4.901 5.047 -0.146 25010 3309 1 8 . 1 1 505 505 LYS CA C 505 55.352 55.352 55.085 0.267 25010 3310 1 8 . 1 1 505 505 LYS CB C 505 34.907 34.907 34.062 0.845 25010 3311 1 8 . 1 1 505 505 LYS H H 505 8.838 8.838 8.649 0.189 25010 3312 1 8 . 1 1 506 506 ASP N N 506 125.883 125.883 126.064 -0.181 25010 3313 1 8 . 1 1 506 506 ASP HA H 506 4.839 4.839 4.708 0.131 25010 3314 1 8 . 1 1 506 506 ASP CA C 506 52.564 52.564 53.985 -1.421 25010 3315 1 8 . 1 1 506 506 ASP CB C 506 41.961 41.961 42.060 -0.099 25010 3316 1 8 . 1 1 506 506 ASP H H 506 8.947 8.947 8.579 0.368 25010 3317 1 8 . 1 1 507 507 GLY N N 507 114.432 114.432 113.878 0.554 25010 3318 1 8 . 1 1 507 507 GLY CA C 507 47.615 47.615 46.980 0.635 25010 3319 1 8 . 1 1 507 507 GLY H H 507 9.004 9.004 8.749 0.255 25010 3320 1 8 . 1 1 508 508 GLN N N 508 128.557 128.557 123.490 5.067 25010 3321 1 8 . 1 1 508 508 GLN HA H 508 4.119 4.119 4.403 -0.284 25010 3322 1 8 . 1 1 508 508 GLN CA C 508 57.237 57.237 55.356 1.881 25010 3323 1 8 . 1 1 508 508 GLN CB C 508 29.867 29.867 30.031 -0.164 25010 3324 1 8 . 1 1 508 508 GLN H H 508 9.448 9.448 8.246 1.202 25010 3325 1 8 . 1 1 509 509 ARG N N 509 120.332 120.332 121.071 -0.739 25010 3326 1 8 . 1 1 509 509 ARG HA H 509 4.986 4.986 4.544 0.442 25010 3327 1 8 . 1 1 509 509 ARG CA C 509 56.146 56.146 56.110 0.036 25010 3328 1 8 . 1 1 509 509 ARG CB C 509 32.012 32.012 32.066 -0.054 25010 3329 1 8 . 1 1 509 509 ARG H H 509 8.215 8.215 7.971 0.244 25010 3330 1 8 . 1 1 510 510 HIS N N 510 122.773 122.773 122.212 0.561 25010 3331 1 8 . 1 1 510 510 HIS HA H 510 5.136 5.136 5.952 -0.816 25010 3332 1 8 . 1 1 510 510 HIS CA C 510 56.449 56.449 55.194 1.255 25010 3333 1 8 . 1 1 510 510 HIS CB C 510 35.290 35.290 32.375 2.915 25010 3334 1 8 . 1 1 510 510 HIS H H 510 8.786 8.786 8.723 0.063 25010 3335 1 8 . 1 1 511 511 HIS N N 511 119.128 119.128 123.107 -3.979 25010 3336 1 8 . 1 1 511 511 HIS HA H 511 6.075 6.075 5.053 1.022 25010 3337 1 8 . 1 1 511 511 HIS CA C 511 53.818 53.818 55.182 -1.364 25010 3338 1 8 . 1 1 511 511 HIS CB C 511 33.422 33.422 33.026 0.396 25010 3339 1 8 . 1 1 511 511 HIS H H 511 9.269 9.269 9.134 0.135 25010 3340 1 8 . 1 1 512 512 LEU N N 512 125.504 125.504 127.562 -2.058 25010 3341 1 8 . 1 1 512 512 LEU HA H 512 4.384 4.384 5.040 -0.656 25010 3342 1 8 . 1 1 512 512 LEU CA C 512 54.196 54.196 53.892 0.304 25010 3343 1 8 . 1 1 512 512 LEU CB C 512 42.275 42.275 44.330 -2.055 25010 3344 1 8 . 1 1 512 512 LEU H H 512 8.345 8.345 9.471 -1.126 25010 3345 1 8 . 1 1 513 513 ILE N N 513 127.867 127.867 128.088 -0.221 25010 3346 1 8 . 1 1 513 513 ILE HA H 513 4.907 4.907 4.359 0.548 25010 3347 1 8 . 1 1 513 513 ILE CA C 513 59.524 59.524 60.724 -1.200 25010 3348 1 8 . 1 1 513 513 ILE CB C 513 40.044 40.044 39.561 0.483 25010 3349 1 8 . 1 1 513 513 ILE H H 513 8.776 8.776 9.399 -0.623 25010 3350 1 8 . 1 1 514 514 ILE N N 514 125.882 125.882 128.915 -3.033 25010 3351 1 8 . 1 1 514 514 ILE HA H 514 4.354 4.354 4.426 -0.072 25010 3352 1 8 . 1 1 514 514 ILE CA C 514 60.058 60.058 60.828 -0.770 25010 3353 1 8 . 1 1 514 514 ILE CB C 514 39.802 39.802 38.346 1.456 25010 3354 1 8 . 1 1 514 514 ILE H H 514 8.777 8.777 8.900 -0.123 25010 3355 1 8 . 1 1 515 515 ASN N N 515 124.270 124.270 126.041 -1.771 25010 3356 1 8 . 1 1 515 515 ASN HA H 515 4.277 4.277 4.512 -0.235 25010 3357 1 8 . 1 1 515 515 ASN CA C 515 57.166 57.166 55.367 1.799 25010 3358 1 8 . 1 1 515 515 ASN CB C 515 38.944 38.944 38.967 -0.023 25010 3359 1 8 . 1 1 515 515 ASN H H 515 8.068 8.068 8.758 -0.690 25010 3360 1 8 . 1 1 516 516 GLU N N 516 117.624 117.624 118.120 -0.496 25010 3361 1 8 . 1 1 516 516 GLU HA H 516 3.841 3.841 4.561 -0.720 25010 3362 1 8 . 1 1 516 516 GLU CA C 516 55.032 55.032 55.337 -0.305 25010 3363 1 8 . 1 1 516 516 GLU CB C 516 31.030 31.030 31.925 -0.895 25010 3364 1 8 . 1 1 516 516 GLU H H 516 8.320 8.320 7.355 0.965 25010 3365 1 8 . 1 1 517 517 ALA N N 517 125.884 125.884 130.026 -4.142 25010 3366 1 8 . 1 1 517 517 ALA HA H 517 4.186 4.186 4.456 -0.270 25010 3367 1 8 . 1 1 517 517 ALA CA C 517 53.726 53.726 52.875 0.851 25010 3368 1 8 . 1 1 517 517 ALA CB C 517 18.902 18.902 19.701 -0.799 25010 3369 1 8 . 1 1 517 517 ALA H H 517 8.735 8.735 8.953 -0.218 25010 3370 1 8 . 1 1 518 518 MET N N 518 123.090 123.090 121.107 1.983 25010 3371 1 8 . 1 1 518 518 MET HA H 518 4.888 4.888 4.680 0.208 25010 3372 1 8 . 1 1 518 518 MET CA C 518 53.006 53.006 53.197 -0.191 25010 3373 1 8 . 1 1 518 518 MET CB C 518 36.535 36.535 35.386 1.149 25010 3374 1 8 . 1 1 518 518 MET H H 518 9.831 9.831 8.388 1.443 25010 3375 1 8 . 1 1 519 519 LEU N N 519 123.171 123.171 122.925 0.246 25010 3376 1 8 . 1 1 519 519 LEU HA H 519 3.846 3.846 4.114 -0.268 25010 3377 1 8 . 1 1 519 519 LEU CA C 519 59.407 59.407 58.029 1.378 25010 3378 1 8 . 1 1 519 519 LEU CB C 519 40.967 40.967 40.561 0.406 25010 3379 1 8 . 1 1 519 519 LEU H H 519 9.108 9.108 8.686 0.422 25010 3380 1 8 . 1 1 520 520 GLU N N 520 115.409 115.409 118.291 -2.882 25010 3381 1 8 . 1 1 520 520 GLU HA H 520 4.257 4.257 4.104 0.153 25010 3382 1 8 . 1 1 520 520 GLU CA C 520 58.537 58.537 59.126 -0.589 25010 3383 1 8 . 1 1 520 520 GLU CB C 520 28.123 28.123 28.855 -0.732 25010 3384 1 8 . 1 1 520 520 GLU H H 520 9.118 9.118 8.689 0.429 25010 3385 1 8 . 1 1 521 521 ASP N N 521 117.154 117.154 118.505 -1.351 25010 3386 1 8 . 1 1 521 521 ASP HA H 521 4.692 4.692 4.682 0.010 25010 3387 1 8 . 1 1 521 521 ASP CA C 521 56.134 56.134 55.066 1.068 25010 3388 1 8 . 1 1 521 521 ASP CB C 521 41.053 41.053 41.161 -0.108 25010 3389 1 8 . 1 1 521 521 ASP H H 521 8.114 8.114 7.797 0.317 25010 3390 1 8 . 1 1 522 522 ALA N N 522 123.368 123.368 120.636 2.732 25010 3391 1 8 . 1 1 522 522 ALA HA H 522 4.159 4.159 4.561 -0.402 25010 3392 1 8 . 1 1 522 522 ALA CA C 522 53.689 53.689 52.157 1.532 25010 3393 1 8 . 1 1 522 522 ALA CB C 522 19.915 19.915 19.136 0.779 25010 3394 1 8 . 1 1 522 522 ALA H H 522 7.572 7.572 7.256 0.316 25010 3395 1 8 . 1 1 523 523 GLY N N 523 107.946 107.946 105.683 2.263 25010 3396 1 8 . 1 1 523 523 GLY CA C 523 45.093 45.093 44.179 0.914 25010 3397 1 8 . 1 1 523 523 GLY H H 523 8.509 8.509 7.245 1.264 25010 3398 1 8 . 1 1 524 524 HIS N N 524 119.840 119.840 120.166 -0.326 25010 3399 1 8 . 1 1 524 524 HIS HA H 524 5.290 5.290 4.624 0.666 25010 3400 1 8 . 1 1 524 524 HIS CA C 524 56.034 56.034 54.142 1.892 25010 3401 1 8 . 1 1 524 524 HIS CB C 524 30.145 30.145 28.563 1.582 25010 3402 1 8 . 1 1 524 524 HIS H H 524 9.142 9.142 8.281 0.861 25010 3403 1 8 . 1 1 525 525 TYR N N 525 127.518 127.518 126.084 1.434 25010 3404 1 8 . 1 1 525 525 TYR HA H 525 5.218 5.218 5.129 0.089 25010 3405 1 8 . 1 1 525 525 TYR CA C 525 57.358 57.358 57.945 -0.587 25010 3406 1 8 . 1 1 525 525 TYR CB C 525 40.926 40.926 39.420 1.506 25010 3407 1 8 . 1 1 525 525 TYR H H 525 9.590 9.590 8.344 1.246 25010 3408 1 8 . 1 1 526 526 ALA N N 526 121.840 121.840 125.779 -3.939 25010 3409 1 8 . 1 1 526 526 ALA HA H 526 5.608 5.608 5.146 0.462 25010 3410 1 8 . 1 1 526 526 ALA CA C 526 49.627 49.627 49.902 -0.275 25010 3411 1 8 . 1 1 526 526 ALA CB C 526 24.176 24.176 22.546 1.630 25010 3412 1 8 . 1 1 526 526 ALA H H 526 9.116 9.116 9.381 -0.265 25010 3413 1 8 . 1 1 527 527 LEU N N 527 121.819 121.819 123.214 -1.395 25010 3414 1 8 . 1 1 527 527 LEU HA H 527 4.564 4.564 5.018 -0.454 25010 3415 1 8 . 1 1 527 527 LEU CA C 527 53.112 53.112 53.109 0.003 25010 3416 1 8 . 1 1 527 527 LEU CB C 527 42.995 42.995 45.376 -2.381 25010 3417 1 8 . 1 1 527 527 LEU H H 527 8.177 8.177 9.103 -0.926 25010 3418 1 8 . 1 1 528 528 CYS N N 528 122.918 122.918 127.712 -4.794 25010 3419 1 8 . 1 1 528 528 CYS HA H 528 4.995 4.995 4.704 0.291 25010 3420 1 8 . 1 1 528 528 CYS CA C 528 57.302 57.302 56.959 0.343 25010 3421 1 8 . 1 1 528 528 CYS CB C 528 29.928 29.928 27.003 2.925 25010 3422 1 8 . 1 1 528 528 CYS H H 528 8.991 8.991 9.191 -0.200 25010 3423 1 8 . 1 1 529 529 THR N N 529 116.311 116.311 119.863 -3.552 25010 3424 1 8 . 1 1 529 529 THR HA H 529 4.717 4.717 4.746 -0.029 25010 3425 1 8 . 1 1 529 529 THR CA C 529 59.605 59.605 60.304 -0.699 25010 3426 1 8 . 1 1 529 529 THR CB C 529 71.228 71.228 71.016 0.212 25010 3427 1 8 . 1 1 529 529 THR H H 529 8.688 8.688 8.302 0.386 25010 3428 1 8 . 1 1 530 530 SER N N 530 115.043 115.043 118.076 -3.033 25010 3429 1 8 . 1 1 530 530 SER HA H 530 4.284 4.284 4.220 0.064 25010 3430 1 8 . 1 1 530 530 SER CA C 530 59.975 59.975 61.306 -1.331 25010 3431 1 8 . 1 1 530 530 SER CB C 530 62.698 62.698 63.392 -0.694 25010 3432 1 8 . 1 1 530 530 SER H H 530 9.371 9.371 8.942 0.429 25010 3433 1 8 . 1 1 531 531 GLY N N 531 108.631 108.631 105.860 2.771 25010 3434 1 8 . 1 1 531 531 GLY CA C 531 45.295 45.295 44.381 0.914 25010 3435 1 8 . 1 1 531 531 GLY H H 531 8.173 8.173 8.039 0.134 25010 3436 1 8 . 1 1 532 532 GLY N N 532 109.029 109.029 108.076 0.953 25010 3437 1 8 . 1 1 532 532 GLY CA C 532 45.389 45.389 42.944 2.445 25010 3438 1 8 . 1 1 532 532 GLY H H 532 7.540 7.540 7.597 -0.057 25010 3439 1 8 . 1 1 533 533 GLN N N 533 116.724 116.724 116.535 0.189 25010 3440 1 8 . 1 1 533 533 GLN HA H 533 5.357 5.357 5.178 0.179 25010 3441 1 8 . 1 1 533 533 GLN CA C 533 54.682 54.682 54.288 0.394 25010 3442 1 8 . 1 1 533 533 GLN CB C 533 32.353 32.353 32.183 0.170 25010 3443 1 8 . 1 1 533 533 GLN H H 533 8.309 8.309 8.246 0.063 25010 3444 1 8 . 1 1 534 534 ALA N N 534 126.868 126.868 126.399 0.469 25010 3445 1 8 . 1 1 534 534 ALA HA H 534 4.870 4.870 4.859 0.011 25010 3446 1 8 . 1 1 534 534 ALA CA C 534 50.764 50.764 50.899 -0.135 25010 3447 1 8 . 1 1 534 534 ALA CB C 534 22.046 22.046 22.365 -0.319 25010 3448 1 8 . 1 1 534 534 ALA H H 534 8.876 8.876 9.095 -0.219 25010 3449 1 8 . 1 1 535 535 LEU N N 535 122.735 122.735 122.906 -0.171 25010 3450 1 8 . 1 1 535 535 LEU HA H 535 5.401 5.401 5.163 0.238 25010 3451 1 8 . 1 1 535 535 LEU CA C 535 54.530 54.530 54.660 -0.130 25010 3452 1 8 . 1 1 535 535 LEU CB C 535 46.423 46.423 45.926 0.497 25010 3453 1 8 . 1 1 535 535 LEU H H 535 8.445 8.445 8.534 -0.089 25010 3454 1 8 . 1 1 536 536 ALA N N 536 125.503 125.503 128.114 -2.611 25010 3455 1 8 . 1 1 536 536 ALA HA H 536 4.758 4.758 4.801 -0.043 25010 3456 1 8 . 1 1 536 536 ALA CA C 536 51.975 51.975 51.268 0.707 25010 3457 1 8 . 1 1 536 536 ALA CB C 536 24.534 24.534 22.297 2.237 25010 3458 1 8 . 1 1 536 536 ALA H H 536 9.375 9.375 9.103 0.272 25010 3459 1 8 . 1 1 537 537 GLU N N 537 121.939 121.939 122.970 -1.031 25010 3460 1 8 . 1 1 537 537 GLU HA H 537 4.942 4.942 4.182 0.760 25010 3461 1 8 . 1 1 537 537 GLU CA C 537 55.059 55.059 54.855 0.204 25010 3462 1 8 . 1 1 537 537 GLU CB C 537 31.991 31.991 29.696 2.295 25010 3463 1 8 . 1 1 537 537 GLU H H 537 9.320 9.320 8.447 0.873 25010 3464 1 8 . 1 1 538 538 LEU N N 538 125.030 125.030 127.314 -2.284 25010 3465 1 8 . 1 1 538 538 LEU HA H 538 5.372 5.372 4.671 0.701 25010 3466 1 8 . 1 1 538 538 LEU CA C 538 53.663 53.663 53.968 -0.305 25010 3467 1 8 . 1 1 538 538 LEU CB C 538 45.180 45.180 43.929 1.251 25010 3468 1 8 . 1 1 538 538 LEU H H 538 9.306 9.306 8.461 0.845 25010 3469 1 8 . 1 1 539 539 ILE N N 539 130.825 130.825 127.884 2.941 25010 3470 1 8 . 1 1 539 539 ILE HA H 539 4.304 4.304 4.303 0.001 25010 3471 1 8 . 1 1 539 539 ILE CA C 539 61.221 61.221 60.757 0.464 25010 3472 1 8 . 1 1 539 539 ILE CB C 539 39.938 39.938 39.170 0.768 25010 3473 1 8 . 1 1 539 539 ILE H H 539 8.908 8.908 8.599 0.309 25010 3474 1 8 . 1 1 540 540 VAL N N 540 125.447 125.447 128.594 -3.147 25010 3475 1 8 . 1 1 540 540 VAL HA H 540 4.806 4.806 4.495 0.311 25010 3476 1 8 . 1 1 540 540 VAL CA C 540 60.340 60.340 61.351 -1.011 25010 3477 1 8 . 1 1 540 540 VAL CB C 540 33.794 33.794 31.674 2.120 25010 3478 1 8 . 1 1 540 540 VAL H H 540 7.890 7.890 8.695 -0.806 25010 3479 1 8 . 1 1 541 541 GLN N N 541 126.060 126.060 127.971 -1.911 25010 3480 1 8 . 1 1 541 541 GLN HA H 541 4.652 4.652 4.473 0.179 25010 3481 1 8 . 1 1 541 541 GLN CA C 541 54.441 54.441 54.843 -0.402 25010 3482 1 8 . 1 1 541 541 GLN CB C 541 30.994 30.994 30.312 0.682 25010 3483 1 8 . 1 1 541 541 GLN H H 541 9.089 9.089 8.733 0.355 25010 3484 1 8 . 1 1 542 542 GLU N N 542 122.213 122.213 122.192 0.021 25010 3485 1 8 . 1 1 542 542 GLU HA H 542 4.340 4.340 4.329 0.011 25010 3486 1 8 . 1 1 542 542 GLU CA C 542 57.168 57.168 56.177 0.991 25010 3487 1 8 . 1 1 542 542 GLU CB C 542 32.061 32.061 30.960 1.101 25010 3488 1 8 . 1 1 542 542 GLU H H 542 8.763 8.763 8.554 0.209 25010 3489 1 9 . 1 1 451 451 HIS HA H 451 4.666 4.666 4.605 0.061 25010 3490 1 9 . 1 1 451 451 HIS CA C 451 56.039 56.039 55.877 0.162 25010 3491 1 9 . 1 1 451 451 HIS CB C 451 30.388 30.388 30.312 0.076 25010 3492 1 9 . 1 1 452 452 MET N N 452 123.092 123.092 123.583 -0.491 25010 3493 1 9 . 1 1 452 452 MET CB C 452 32.012 32.012 32.263 -0.251 25010 3494 1 9 . 1 1 452 452 MET H H 452 8.328 8.328 8.277 0.051 25010 3495 1 9 . 1 1 453 453 PRO HA H 453 4.316 4.316 4.435 -0.119 25010 3496 1 9 . 1 1 453 453 PRO CA C 453 62.807 62.807 62.182 0.625 25010 3497 1 9 . 1 1 453 453 PRO CB C 453 32.230 32.230 32.316 -0.086 25010 3498 1 9 . 1 1 454 454 VAL N N 454 122.113 122.113 121.638 0.475 25010 3499 1 9 . 1 1 454 454 VAL HA H 454 3.762 3.762 3.886 -0.124 25010 3500 1 9 . 1 1 454 454 VAL CA C 454 63.093 63.093 62.895 0.198 25010 3501 1 9 . 1 1 454 454 VAL CB C 454 32.192 32.192 31.404 0.788 25010 3502 1 9 . 1 1 454 454 VAL H H 454 7.806 7.806 8.333 -0.527 25010 3503 1 9 . 1 1 455 455 LEU N N 455 129.322 129.322 127.720 1.602 25010 3504 1 9 . 1 1 455 455 LEU HA H 455 4.459 4.459 4.404 0.055 25010 3505 1 9 . 1 1 455 455 LEU CA C 455 53.133 53.133 54.638 -1.504 25010 3506 1 9 . 1 1 455 455 LEU CB C 455 43.699 43.699 42.886 0.813 25010 3507 1 9 . 1 1 455 455 LEU H H 455 8.586 8.586 8.239 0.347 25010 3508 1 9 . 1 1 456 456 ILE N N 456 120.924 120.924 121.855 -0.931 25010 3509 1 9 . 1 1 456 456 ILE HA H 456 4.259 4.259 4.231 0.028 25010 3510 1 9 . 1 1 456 456 ILE CA C 456 60.937 60.937 60.122 0.815 25010 3511 1 9 . 1 1 456 456 ILE CB C 456 36.860 36.860 36.671 0.189 25010 3512 1 9 . 1 1 456 456 ILE H H 456 8.519 8.519 8.350 0.169 25010 3513 1 9 . 1 1 457 457 THR N N 457 120.896 120.896 120.832 0.064 25010 3514 1 9 . 1 1 457 457 THR HA H 457 4.297 4.297 4.311 -0.014 25010 3515 1 9 . 1 1 457 457 THR CA C 457 62.783 62.783 62.439 0.344 25010 3516 1 9 . 1 1 457 457 THR CB C 457 67.927 67.927 69.770 -1.843 25010 3517 1 9 . 1 1 457 457 THR H H 457 8.671 8.671 8.372 0.299 25010 3518 1 9 . 1 1 458 458 ARG N N 458 122.706 122.706 123.072 -0.366 25010 3519 1 9 . 1 1 458 458 ARG HA H 458 4.931 4.931 4.879 0.052 25010 3520 1 9 . 1 1 458 458 ARG CA C 458 53.816 53.816 52.640 1.176 25010 3521 1 9 . 1 1 458 458 ARG CB C 458 32.443 32.443 30.563 1.880 25010 3522 1 9 . 1 1 458 458 ARG H H 458 7.576 7.576 7.612 -0.036 25010 3523 1 9 . 1 1 459 459 PRO HA H 459 4.315 4.315 4.537 -0.222 25010 3524 1 9 . 1 1 459 459 PRO CA C 459 62.763 62.763 62.475 0.288 25010 3525 1 9 . 1 1 459 459 PRO CB C 459 32.644 32.644 32.619 0.025 25010 3526 1 9 . 1 1 460 460 LEU N N 460 115.406 115.406 120.611 -5.205 25010 3527 1 9 . 1 1 460 460 LEU HA H 460 4.575 4.575 4.375 0.200 25010 3528 1 9 . 1 1 460 460 LEU CA C 460 55.114 55.114 53.430 1.684 25010 3529 1 9 . 1 1 460 460 LEU CB C 460 45.383 45.383 42.422 2.962 25010 3530 1 9 . 1 1 460 460 LEU H H 460 6.134 6.134 8.060 -1.926 25010 3531 1 9 . 1 1 461 461 GLU N N 461 120.629 120.629 119.575 1.054 25010 3532 1 9 . 1 1 461 461 GLU HA H 461 4.826 4.826 4.180 0.646 25010 3533 1 9 . 1 1 461 461 GLU CA C 461 54.846 54.846 56.685 -1.839 25010 3534 1 9 . 1 1 461 461 GLU CB C 461 32.513 32.513 29.414 3.099 25010 3535 1 9 . 1 1 461 461 GLU H H 461 8.409 8.409 8.018 0.391 25010 3536 1 9 . 1 1 462 462 ASP N N 462 122.487 122.487 123.040 -0.553 25010 3537 1 9 . 1 1 462 462 ASP HA H 462 5.043 5.043 4.429 0.614 25010 3538 1 9 . 1 1 462 462 ASP CA C 462 55.551 55.551 54.687 0.864 25010 3539 1 9 . 1 1 462 462 ASP CB C 462 41.180 41.180 41.119 0.061 25010 3540 1 9 . 1 1 462 462 ASP H H 462 8.603 8.603 8.568 0.035 25010 3541 1 9 . 1 1 463 463 GLN N N 463 117.119 117.119 120.312 -3.193 25010 3542 1 9 . 1 1 463 463 GLN HA H 463 4.687 4.687 4.335 0.352 25010 3543 1 9 . 1 1 463 463 GLN CA C 463 54.383 54.383 55.161 -0.778 25010 3544 1 9 . 1 1 463 463 GLN CB C 463 33.212 33.212 29.566 3.646 25010 3545 1 9 . 1 1 463 463 GLN H H 463 8.785 8.785 7.794 0.991 25010 3546 1 9 . 1 1 464 464 LEU N N 464 127.523 127.523 123.593 3.930 25010 3547 1 9 . 1 1 464 464 LEU HA H 464 5.337 5.337 4.513 0.824 25010 3548 1 9 . 1 1 464 464 LEU CA C 464 54.511 54.511 54.352 0.159 25010 3549 1 9 . 1 1 464 464 LEU CB C 464 44.048 44.048 42.971 1.077 25010 3550 1 9 . 1 1 464 464 LEU H H 464 8.420 8.420 8.338 0.082 25010 3551 1 9 . 1 1 465 465 VAL N N 465 119.244 119.244 120.518 -1.274 25010 3552 1 9 . 1 1 465 465 VAL HA H 465 4.796 4.796 4.654 0.142 25010 3553 1 9 . 1 1 465 465 VAL CA C 465 58.546 58.546 59.529 -0.983 25010 3554 1 9 . 1 1 465 465 VAL CB C 465 36.136 36.136 35.696 0.440 25010 3555 1 9 . 1 1 465 465 VAL H H 465 8.730 8.730 8.730 -0.000 25010 3556 1 9 . 1 1 466 466 MET N N 466 119.234 119.234 119.724 -0.490 25010 3557 1 9 . 1 1 466 466 MET HA H 466 5.269 5.269 5.201 0.068 25010 3558 1 9 . 1 1 466 466 MET CA C 466 52.842 52.842 54.763 -1.921 25010 3559 1 9 . 1 1 466 466 MET CB C 466 33.563 33.563 34.482 -0.919 25010 3560 1 9 . 1 1 466 466 MET H H 466 8.099 8.099 8.096 0.003 25010 3561 1 9 . 1 1 467 467 VAL N N 467 119.519 119.519 121.629 -2.110 25010 3562 1 9 . 1 1 467 467 VAL HA H 467 3.457 3.457 3.706 -0.249 25010 3563 1 9 . 1 1 467 467 VAL CA C 467 64.434 64.434 63.636 0.798 25010 3564 1 9 . 1 1 467 467 VAL CB C 467 32.220 32.220 32.443 -0.223 25010 3565 1 9 . 1 1 467 467 VAL H H 467 7.917 7.917 8.303 -0.386 25010 3566 1 9 . 1 1 468 468 GLY N N 468 115.365 115.365 113.418 1.947 25010 3567 1 9 . 1 1 468 468 GLY CA C 468 44.814 44.814 44.785 0.029 25010 3568 1 9 . 1 1 468 468 GLY H H 468 9.845 9.845 8.930 0.915 25010 3569 1 9 . 1 1 469 469 GLN N N 469 120.329 120.329 120.107 0.222 25010 3570 1 9 . 1 1 469 469 GLN HA H 469 4.433 4.433 4.371 0.062 25010 3571 1 9 . 1 1 469 469 GLN CA C 469 55.841 55.841 54.691 1.150 25010 3572 1 9 . 1 1 469 469 GLN CB C 469 30.198 30.198 30.205 -0.007 25010 3573 1 9 . 1 1 469 469 GLN H H 469 7.984 7.984 7.389 0.595 25010 3574 1 9 . 1 1 470 470 ARG N N 470 122.940 122.940 123.309 -0.369 25010 3575 1 9 . 1 1 470 470 ARG HA H 470 4.603 4.603 4.730 -0.127 25010 3576 1 9 . 1 1 470 470 ARG CA C 470 55.873 55.873 56.062 -0.189 25010 3577 1 9 . 1 1 470 470 ARG CB C 470 31.614 31.614 30.629 0.985 25010 3578 1 9 . 1 1 470 470 ARG H H 470 8.138 8.138 8.469 -0.331 25010 3579 1 9 . 1 1 471 471 VAL N N 471 127.100 127.100 126.807 0.293 25010 3580 1 9 . 1 1 471 471 VAL HA H 471 4.135 4.135 4.193 -0.058 25010 3581 1 9 . 1 1 471 471 VAL CA C 471 60.424 60.424 60.783 -0.359 25010 3582 1 9 . 1 1 471 471 VAL CB C 471 34.725 34.725 34.092 0.633 25010 3583 1 9 . 1 1 471 471 VAL H H 471 8.869 8.869 7.991 0.878 25010 3584 1 9 . 1 1 472 472 GLU N N 472 126.220 126.220 125.913 0.307 25010 3585 1 9 . 1 1 472 472 GLU HA H 472 5.096 5.096 4.470 0.626 25010 3586 1 9 . 1 1 472 472 GLU CA C 472 54.644 54.644 54.931 -0.287 25010 3587 1 9 . 1 1 472 472 GLU CB C 472 32.890 32.890 31.541 1.349 25010 3588 1 9 . 1 1 472 472 GLU H H 472 8.601 8.601 8.482 0.119 25010 3589 1 9 . 1 1 473 473 PHE N N 473 125.641 125.641 124.825 0.816 25010 3590 1 9 . 1 1 473 473 PHE HA H 473 4.747 4.747 4.697 0.050 25010 3591 1 9 . 1 1 473 473 PHE CA C 473 57.513 57.513 55.897 1.616 25010 3592 1 9 . 1 1 473 473 PHE CB C 473 41.975 41.975 39.609 2.366 25010 3593 1 9 . 1 1 473 473 PHE H H 473 9.275 9.275 8.512 0.763 25010 3594 1 9 . 1 1 474 474 GLU N N 474 120.663 120.663 125.019 -4.356 25010 3595 1 9 . 1 1 474 474 GLU HA H 474 5.369 5.369 4.569 0.800 25010 3596 1 9 . 1 1 474 474 GLU CA C 474 54.976 54.976 55.564 -0.588 25010 3597 1 9 . 1 1 474 474 GLU CB C 474 32.849 32.849 31.184 1.665 25010 3598 1 9 . 1 1 474 474 GLU H H 474 8.452 8.452 8.947 -0.495 25010 3599 1 9 . 1 1 475 475 CYS N N 475 121.477 121.477 123.468 -1.991 25010 3600 1 9 . 1 1 475 475 CYS HA H 475 4.818 4.818 4.709 0.109 25010 3601 1 9 . 1 1 475 475 CYS CA C 475 56.706 56.706 57.886 -1.180 25010 3602 1 9 . 1 1 475 475 CYS CB C 475 30.937 30.937 29.262 1.675 25010 3603 1 9 . 1 1 475 475 CYS H H 475 9.015 9.015 8.467 0.548 25010 3604 1 9 . 1 1 476 476 GLU N N 476 123.383 123.383 127.376 -3.993 25010 3605 1 9 . 1 1 476 476 GLU HA H 476 5.522 5.522 4.762 0.760 25010 3606 1 9 . 1 1 476 476 GLU CA C 476 55.076 55.076 54.257 0.820 25010 3607 1 9 . 1 1 476 476 GLU CB C 476 33.796 33.796 32.472 1.324 25010 3608 1 9 . 1 1 476 476 GLU H H 476 8.574 8.574 8.224 0.350 25010 3609 1 9 . 1 1 477 477 VAL N N 477 116.481 116.481 113.337 3.144 25010 3610 1 9 . 1 1 477 477 VAL HA H 477 5.430 5.430 4.799 0.631 25010 3611 1 9 . 1 1 477 477 VAL CA C 477 58.827 58.827 59.570 -0.743 25010 3612 1 9 . 1 1 477 477 VAL CB C 477 34.087 34.087 34.224 -0.137 25010 3613 1 9 . 1 1 477 477 VAL H H 477 8.739 8.739 8.255 0.484 25010 3614 1 9 . 1 1 478 478 SER N N 478 111.234 111.234 114.973 -3.739 25010 3615 1 9 . 1 1 478 478 SER HA H 478 4.072 4.072 4.425 -0.353 25010 3616 1 9 . 1 1 478 478 SER CA C 478 60.984 60.984 59.973 1.011 25010 3617 1 9 . 1 1 478 478 SER CB C 478 63.568 63.568 64.069 -0.501 25010 3618 1 9 . 1 1 478 478 SER H H 478 8.779 8.779 8.304 0.475 25010 3619 1 9 . 1 1 479 479 GLU N N 479 116.983 116.983 120.231 -3.248 25010 3620 1 9 . 1 1 479 479 GLU HA H 479 4.872 4.872 4.443 0.429 25010 3621 1 9 . 1 1 479 479 GLU CA C 479 54.615 54.615 55.237 -0.622 25010 3622 1 9 . 1 1 479 479 GLU CB C 479 33.654 33.654 31.738 1.916 25010 3623 1 9 . 1 1 479 479 GLU H H 479 6.800 6.800 7.932 -1.132 25010 3624 1 9 . 1 1 480 480 GLU N N 480 124.422 124.422 126.996 -2.574 25010 3625 1 9 . 1 1 480 480 GLU HA H 480 4.405 4.405 4.309 0.096 25010 3626 1 9 . 1 1 480 480 GLU CA C 480 57.861 57.861 57.386 0.475 25010 3627 1 9 . 1 1 480 480 GLU CB C 480 29.787 29.787 30.026 -0.239 25010 3628 1 9 . 1 1 480 480 GLU H H 480 9.243 9.243 8.721 0.522 25010 3629 1 9 . 1 1 481 481 GLY CA C 481 45.916 45.916 45.438 0.478 25010 3630 1 9 . 1 1 482 482 ALA N N 482 121.277 121.277 125.798 -4.521 25010 3631 1 9 . 1 1 482 482 ALA HA H 482 4.513 4.513 4.445 0.068 25010 3632 1 9 . 1 1 482 482 ALA CA C 482 52.243 52.243 51.783 0.460 25010 3633 1 9 . 1 1 482 482 ALA CB C 482 20.653 20.653 19.104 1.549 25010 3634 1 9 . 1 1 482 482 ALA H H 482 7.449 7.449 7.548 -0.099 25010 3635 1 9 . 1 1 483 483 GLN N N 483 121.318 121.318 124.545 -3.227 25010 3636 1 9 . 1 1 483 483 GLN HA H 483 4.481 4.481 4.433 0.048 25010 3637 1 9 . 1 1 483 483 GLN CA C 483 55.471 55.471 54.830 0.641 25010 3638 1 9 . 1 1 483 483 GLN CB C 483 28.077 28.077 30.011 -1.934 25010 3639 1 9 . 1 1 483 483 GLN H H 483 8.541 8.541 8.566 -0.025 25010 3640 1 9 . 1 1 484 484 VAL N N 484 118.395 118.395 112.663 5.732 25010 3641 1 9 . 1 1 484 484 VAL HA H 484 4.919 4.919 4.786 0.133 25010 3642 1 9 . 1 1 484 484 VAL CA C 484 58.491 58.491 58.945 -0.454 25010 3643 1 9 . 1 1 484 484 VAL CB C 484 34.518 34.518 34.505 0.013 25010 3644 1 9 . 1 1 484 484 VAL H H 484 8.283 8.283 7.839 0.444 25010 3645 1 9 . 1 1 485 485 LYS N N 485 119.957 119.957 123.326 -3.369 25010 3646 1 9 . 1 1 485 485 LYS HA H 485 4.594 4.594 4.570 0.024 25010 3647 1 9 . 1 1 485 485 LYS CA C 485 55.038 55.038 54.622 0.416 25010 3648 1 9 . 1 1 485 485 LYS CB C 485 36.678 36.678 36.012 0.666 25010 3649 1 9 . 1 1 485 485 LYS H H 485 8.039 8.039 8.412 -0.373 25010 3650 1 9 . 1 1 486 486 TRP N N 486 123.677 123.677 125.267 -1.590 25010 3651 1 9 . 1 1 486 486 TRP HA H 486 5.608 5.608 4.745 0.863 25010 3652 1 9 . 1 1 486 486 TRP CA C 486 55.766 55.766 56.421 -0.655 25010 3653 1 9 . 1 1 486 486 TRP CB C 486 32.033 32.033 30.674 1.359 25010 3654 1 9 . 1 1 486 486 TRP H H 486 8.767 8.767 8.689 0.078 25010 3655 1 9 . 1 1 487 487 LEU N N 487 121.292 121.292 125.413 -4.121 25010 3656 1 9 . 1 1 487 487 LEU HA H 487 5.199 5.199 4.885 0.314 25010 3657 1 9 . 1 1 487 487 LEU CA C 487 53.645 53.645 53.824 -0.179 25010 3658 1 9 . 1 1 487 487 LEU CB C 487 46.241 46.241 45.920 0.321 25010 3659 1 9 . 1 1 487 487 LEU H H 487 9.599 9.599 9.257 0.342 25010 3660 1 9 . 1 1 488 488 LYS N N 488 119.097 119.097 127.393 -8.296 25010 3661 1 9 . 1 1 488 488 LYS HA H 488 4.448 4.448 4.202 0.246 25010 3662 1 9 . 1 1 488 488 LYS CA C 488 55.221 55.221 55.509 -0.288 25010 3663 1 9 . 1 1 488 488 LYS CB C 488 35.636 35.636 33.099 2.537 25010 3664 1 9 . 1 1 488 488 LYS H H 488 8.702 8.702 9.083 -0.381 25010 3665 1 9 . 1 1 489 489 ASP N N 489 130.255 130.255 127.952 2.303 25010 3666 1 9 . 1 1 489 489 ASP HA H 489 4.377 4.377 4.313 0.064 25010 3667 1 9 . 1 1 489 489 ASP CA C 489 55.843 55.843 55.538 0.305 25010 3668 1 9 . 1 1 489 489 ASP CB C 489 40.211 40.211 39.504 0.707 25010 3669 1 9 . 1 1 489 489 ASP H H 489 9.895 9.895 9.157 0.738 25010 3670 1 9 . 1 1 490 490 GLY N N 490 101.682 101.682 102.877 -1.195 25010 3671 1 9 . 1 1 490 490 GLY CA C 490 45.394 45.394 45.006 0.388 25010 3672 1 9 . 1 1 490 490 GLY H H 490 8.673 8.673 8.615 0.058 25010 3673 1 9 . 1 1 491 491 VAL N N 491 123.371 123.371 123.162 0.209 25010 3674 1 9 . 1 1 491 491 VAL HA H 491 4.197 4.197 4.133 0.064 25010 3675 1 9 . 1 1 491 491 VAL CA C 491 61.597 61.597 61.385 0.212 25010 3676 1 9 . 1 1 491 491 VAL CB C 491 33.598 33.598 33.111 0.487 25010 3677 1 9 . 1 1 491 491 VAL H H 491 7.954 7.954 7.904 0.050 25010 3678 1 9 . 1 1 492 492 GLU N N 492 127.934 127.934 127.879 0.055 25010 3679 1 9 . 1 1 492 492 GLU HA H 492 4.410 4.410 4.249 0.161 25010 3680 1 9 . 1 1 492 492 GLU CA C 492 57.649 57.649 56.370 1.279 25010 3681 1 9 . 1 1 492 492 GLU CB C 492 29.242 29.242 30.145 -0.903 25010 3682 1 9 . 1 1 492 492 GLU H H 492 8.781 8.781 8.576 0.205 25010 3683 1 9 . 1 1 493 493 LEU N N 493 127.787 127.787 128.379 -0.592 25010 3684 1 9 . 1 1 493 493 LEU HA H 493 4.591 4.591 4.507 0.084 25010 3685 1 9 . 1 1 493 493 LEU CA C 493 54.628 54.628 54.725 -0.097 25010 3686 1 9 . 1 1 493 493 LEU CB C 493 41.823 41.823 42.663 -0.840 25010 3687 1 9 . 1 1 493 493 LEU H H 493 8.934 8.934 8.015 0.919 25010 3688 1 9 . 1 1 494 494 THR N N 494 114.564 114.564 116.066 -1.502 25010 3689 1 9 . 1 1 494 494 THR HA H 494 4.238 4.238 4.470 -0.232 25010 3690 1 9 . 1 1 494 494 THR CA C 494 61.209 61.209 60.495 0.714 25010 3691 1 9 . 1 1 494 494 THR CB C 494 70.420 70.420 70.397 0.023 25010 3692 1 9 . 1 1 494 494 THR H H 494 8.338 8.338 8.304 0.034 25010 3693 1 9 . 1 1 495 495 ARG N N 495 121.286 121.286 121.134 0.152 25010 3694 1 9 . 1 1 495 495 ARG HA H 495 4.421 4.421 4.227 0.194 25010 3695 1 9 . 1 1 495 495 ARG CA C 495 56.805 56.805 57.533 -0.728 25010 3696 1 9 . 1 1 495 495 ARG CB C 495 30.014 30.014 30.539 -0.525 25010 3697 1 9 . 1 1 495 495 ARG H H 495 8.580 8.580 8.578 0.002 25010 3698 1 9 . 1 1 496 496 GLU N N 496 120.070 120.070 120.691 -0.621 25010 3699 1 9 . 1 1 496 496 GLU HA H 496 4.341 4.341 4.390 -0.049 25010 3700 1 9 . 1 1 496 496 GLU CA C 496 57.093 57.093 55.683 1.410 25010 3701 1 9 . 1 1 496 496 GLU CB C 496 29.927 29.927 29.287 0.640 25010 3702 1 9 . 1 1 496 496 GLU H H 496 8.304 8.304 7.830 0.474 25010 3703 1 9 . 1 1 497 497 GLU N N 497 120.611 120.611 122.941 -2.330 25010 3704 1 9 . 1 1 497 497 GLU HA H 497 4.390 4.390 4.434 -0.044 25010 3705 1 9 . 1 1 497 497 GLU CA C 497 56.781 56.781 55.361 1.420 25010 3706 1 9 . 1 1 497 497 GLU CB C 497 29.722 29.722 30.830 -1.108 25010 3707 1 9 . 1 1 497 497 GLU H H 497 8.181 8.181 7.971 0.210 25010 3708 1 9 . 1 1 498 498 THR N N 498 113.761 113.761 116.331 -2.570 25010 3709 1 9 . 1 1 498 498 THR HA H 498 4.519 4.519 4.049 0.470 25010 3710 1 9 . 1 1 498 498 THR CA C 498 61.768 61.768 62.062 -0.294 25010 3711 1 9 . 1 1 498 498 THR CB C 498 69.893 69.893 69.604 0.289 25010 3712 1 9 . 1 1 498 498 THR H H 498 8.077 8.077 8.303 -0.226 25010 3713 1 9 . 1 1 499 499 PHE N N 499 119.315 119.315 124.119 -4.804 25010 3714 1 9 . 1 1 499 499 PHE HA H 499 4.571 4.571 4.567 0.004 25010 3715 1 9 . 1 1 499 499 PHE CA C 499 58.469 58.469 57.888 0.581 25010 3716 1 9 . 1 1 499 499 PHE CB C 499 38.648 38.648 38.341 0.307 25010 3717 1 9 . 1 1 499 499 PHE H H 499 8.089 8.089 8.611 -0.522 25010 3718 1 9 . 1 1 500 500 LYS N N 500 120.851 120.851 120.335 0.516 25010 3719 1 9 . 1 1 500 500 LYS HA H 500 4.146 4.146 4.285 -0.139 25010 3720 1 9 . 1 1 500 500 LYS CA C 500 57.814 57.814 58.274 -0.460 25010 3721 1 9 . 1 1 500 500 LYS CB C 500 33.603 33.603 33.444 0.159 25010 3722 1 9 . 1 1 500 500 LYS H H 500 8.100 8.100 7.829 0.271 25010 3723 1 9 . 1 1 501 501 TYR N N 501 114.551 114.551 114.707 -0.156 25010 3724 1 9 . 1 1 501 501 TYR HA H 501 4.782 4.782 5.525 -0.743 25010 3725 1 9 . 1 1 501 501 TYR CA C 501 55.002 55.002 54.772 0.230 25010 3726 1 9 . 1 1 501 501 TYR CB C 501 41.643 41.643 40.751 0.892 25010 3727 1 9 . 1 1 501 501 TYR H H 501 7.259 7.259 7.642 -0.383 25010 3728 1 9 . 1 1 502 502 TRP N N 502 119.304 119.304 122.655 -3.351 25010 3729 1 9 . 1 1 502 502 TRP HA H 502 5.351 5.351 5.076 0.275 25010 3730 1 9 . 1 1 502 502 TRP CA C 502 55.377 55.377 55.602 -0.225 25010 3731 1 9 . 1 1 502 502 TRP CB C 502 30.599 30.599 31.944 -1.345 25010 3732 1 9 . 1 1 502 502 TRP H H 502 8.399 8.399 8.832 -0.433 25010 3733 1 9 . 1 1 503 503 PHE N N 503 119.216 119.216 115.572 3.644 25010 3734 1 9 . 1 1 503 503 PHE HA H 503 5.382 5.382 5.372 0.010 25010 3735 1 9 . 1 1 503 503 PHE CA C 503 54.961 54.961 55.864 -0.903 25010 3736 1 9 . 1 1 503 503 PHE CB C 503 41.607 41.607 41.862 -0.255 25010 3737 1 9 . 1 1 503 503 PHE H H 503 8.840 8.840 8.197 0.643 25010 3738 1 9 . 1 1 504 504 LYS N N 504 120.145 120.145 120.483 -0.338 25010 3739 1 9 . 1 1 504 504 LYS HA H 504 4.887 4.887 4.832 0.055 25010 3740 1 9 . 1 1 504 504 LYS CA C 504 55.586 55.586 54.846 0.740 25010 3741 1 9 . 1 1 504 504 LYS CB C 504 36.415 36.415 36.396 0.019 25010 3742 1 9 . 1 1 504 504 LYS H H 504 8.870 8.870 9.336 -0.466 25010 3743 1 9 . 1 1 505 505 LYS N N 505 126.170 126.170 122.010 4.160 25010 3744 1 9 . 1 1 505 505 LYS HA H 505 4.901 4.901 5.194 -0.293 25010 3745 1 9 . 1 1 505 505 LYS CA C 505 55.352 55.352 55.357 -0.005 25010 3746 1 9 . 1 1 505 505 LYS CB C 505 34.907 34.907 35.451 -0.544 25010 3747 1 9 . 1 1 505 505 LYS H H 505 8.838 8.838 8.571 0.267 25010 3748 1 9 . 1 1 506 506 ASP N N 506 125.883 125.883 126.967 -1.084 25010 3749 1 9 . 1 1 506 506 ASP HA H 506 4.839 4.839 4.810 0.029 25010 3750 1 9 . 1 1 506 506 ASP CA C 506 52.564 52.564 53.336 -0.772 25010 3751 1 9 . 1 1 506 506 ASP CB C 506 41.961 41.961 41.221 0.740 25010 3752 1 9 . 1 1 506 506 ASP H H 506 8.947 8.947 8.676 0.271 25010 3753 1 9 . 1 1 507 507 GLY N N 507 114.432 114.432 112.773 1.659 25010 3754 1 9 . 1 1 507 507 GLY CA C 507 47.615 47.615 46.979 0.636 25010 3755 1 9 . 1 1 507 507 GLY H H 507 9.004 9.004 8.536 0.468 25010 3756 1 9 . 1 1 508 508 GLN N N 508 128.557 128.557 123.405 5.152 25010 3757 1 9 . 1 1 508 508 GLN HA H 508 4.119 4.119 4.121 -0.002 25010 3758 1 9 . 1 1 508 508 GLN CA C 508 57.237 57.237 56.657 0.580 25010 3759 1 9 . 1 1 508 508 GLN CB C 508 29.867 29.867 29.298 0.569 25010 3760 1 9 . 1 1 508 508 GLN H H 508 9.448 9.448 8.299 1.149 25010 3761 1 9 . 1 1 509 509 ARG N N 509 120.332 120.332 120.775 -0.443 25010 3762 1 9 . 1 1 509 509 ARG HA H 509 4.986 4.986 4.437 0.549 25010 3763 1 9 . 1 1 509 509 ARG CA C 509 56.146 56.146 55.830 0.316 25010 3764 1 9 . 1 1 509 509 ARG CB C 509 32.012 32.012 31.691 0.322 25010 3765 1 9 . 1 1 509 509 ARG H H 509 8.215 8.215 7.758 0.457 25010 3766 1 9 . 1 1 510 510 HIS N N 510 122.773 122.773 123.252 -0.479 25010 3767 1 9 . 1 1 510 510 HIS HA H 510 5.136 5.136 5.572 -0.436 25010 3768 1 9 . 1 1 510 510 HIS CA C 510 56.449 56.449 55.268 1.181 25010 3769 1 9 . 1 1 510 510 HIS CB C 510 35.290 35.290 31.866 3.424 25010 3770 1 9 . 1 1 510 510 HIS H H 510 8.786 8.786 8.771 0.015 25010 3771 1 9 . 1 1 511 511 HIS N N 511 119.128 119.128 122.755 -3.627 25010 3772 1 9 . 1 1 511 511 HIS HA H 511 6.075 6.075 4.959 1.116 25010 3773 1 9 . 1 1 511 511 HIS CA C 511 53.818 53.818 54.921 -1.103 25010 3774 1 9 . 1 1 511 511 HIS CB C 511 33.422 33.422 33.175 0.247 25010 3775 1 9 . 1 1 511 511 HIS H H 511 9.269 9.269 9.637 -0.368 25010 3776 1 9 . 1 1 512 512 LEU N N 512 125.504 125.504 127.052 -1.548 25010 3777 1 9 . 1 1 512 512 LEU HA H 512 4.384 4.384 4.831 -0.447 25010 3778 1 9 . 1 1 512 512 LEU CA C 512 54.196 54.196 53.706 0.490 25010 3779 1 9 . 1 1 512 512 LEU CB C 512 42.275 42.275 44.596 -2.321 25010 3780 1 9 . 1 1 512 512 LEU H H 512 8.345 8.345 9.030 -0.685 25010 3781 1 9 . 1 1 513 513 ILE N N 513 127.867 127.867 126.834 1.033 25010 3782 1 9 . 1 1 513 513 ILE HA H 513 4.907 4.907 4.106 0.801 25010 3783 1 9 . 1 1 513 513 ILE CA C 513 59.524 59.524 59.934 -0.410 25010 3784 1 9 . 1 1 513 513 ILE CB C 513 40.044 40.044 39.376 0.668 25010 3785 1 9 . 1 1 513 513 ILE H H 513 8.776 8.776 9.035 -0.259 25010 3786 1 9 . 1 1 514 514 ILE N N 514 125.882 125.882 128.740 -2.858 25010 3787 1 9 . 1 1 514 514 ILE HA H 514 4.354 4.354 4.319 0.035 25010 3788 1 9 . 1 1 514 514 ILE CA C 514 60.058 60.058 61.072 -1.014 25010 3789 1 9 . 1 1 514 514 ILE CB C 514 39.802 39.802 38.056 1.746 25010 3790 1 9 . 1 1 514 514 ILE H H 514 8.777 8.777 8.233 0.544 25010 3791 1 9 . 1 1 515 515 ASN N N 515 124.270 124.270 125.626 -1.356 25010 3792 1 9 . 1 1 515 515 ASN HA H 515 4.277 4.277 4.574 -0.297 25010 3793 1 9 . 1 1 515 515 ASN CA C 515 57.166 57.166 55.644 1.522 25010 3794 1 9 . 1 1 515 515 ASN CB C 515 38.944 38.944 39.331 -0.387 25010 3795 1 9 . 1 1 515 515 ASN H H 515 8.068 8.068 9.091 -1.023 25010 3796 1 9 . 1 1 516 516 GLU N N 516 117.624 117.624 117.799 -0.175 25010 3797 1 9 . 1 1 516 516 GLU HA H 516 3.841 3.841 4.508 -0.667 25010 3798 1 9 . 1 1 516 516 GLU CA C 516 55.032 55.032 55.058 -0.026 25010 3799 1 9 . 1 1 516 516 GLU CB C 516 31.030 31.030 31.707 -0.677 25010 3800 1 9 . 1 1 516 516 GLU H H 516 8.320 8.320 7.453 0.867 25010 3801 1 9 . 1 1 517 517 ALA N N 517 125.884 125.884 128.978 -3.094 25010 3802 1 9 . 1 1 517 517 ALA HA H 517 4.186 4.186 4.296 -0.110 25010 3803 1 9 . 1 1 517 517 ALA CA C 517 53.726 53.726 52.817 0.909 25010 3804 1 9 . 1 1 517 517 ALA CB C 517 18.902 18.902 19.610 -0.708 25010 3805 1 9 . 1 1 517 517 ALA H H 517 8.735 8.735 8.915 -0.180 25010 3806 1 9 . 1 1 518 518 MET N N 518 123.090 123.090 122.253 0.837 25010 3807 1 9 . 1 1 518 518 MET HA H 518 4.888 4.888 4.758 0.130 25010 3808 1 9 . 1 1 518 518 MET CA C 518 53.006 53.006 53.292 -0.286 25010 3809 1 9 . 1 1 518 518 MET CB C 518 36.535 36.535 35.914 0.621 25010 3810 1 9 . 1 1 518 518 MET H H 518 9.831 9.831 8.186 1.645 25010 3811 1 9 . 1 1 519 519 LEU N N 519 123.171 123.171 123.208 -0.037 25010 3812 1 9 . 1 1 519 519 LEU HA H 519 3.846 3.846 4.034 -0.188 25010 3813 1 9 . 1 1 519 519 LEU CA C 519 59.407 59.407 58.246 1.161 25010 3814 1 9 . 1 1 519 519 LEU CB C 519 40.967 40.967 41.387 -0.420 25010 3815 1 9 . 1 1 519 519 LEU H H 519 9.108 9.108 8.697 0.411 25010 3816 1 9 . 1 1 520 520 GLU N N 520 115.409 115.409 117.423 -2.014 25010 3817 1 9 . 1 1 520 520 GLU HA H 520 4.257 4.257 4.101 0.156 25010 3818 1 9 . 1 1 520 520 GLU CA C 520 58.537 58.537 58.511 0.026 25010 3819 1 9 . 1 1 520 520 GLU CB C 520 28.123 28.123 28.757 -0.634 25010 3820 1 9 . 1 1 520 520 GLU H H 520 9.118 9.118 8.720 0.398 25010 3821 1 9 . 1 1 521 521 ASP N N 521 117.154 117.154 119.340 -2.186 25010 3822 1 9 . 1 1 521 521 ASP HA H 521 4.692 4.692 4.552 0.140 25010 3823 1 9 . 1 1 521 521 ASP CA C 521 56.134 56.134 54.387 1.747 25010 3824 1 9 . 1 1 521 521 ASP CB C 521 41.053 41.053 41.237 -0.184 25010 3825 1 9 . 1 1 521 521 ASP H H 521 8.114 8.114 7.675 0.439 25010 3826 1 9 . 1 1 522 522 ALA N N 522 123.368 123.368 121.117 2.251 25010 3827 1 9 . 1 1 522 522 ALA HA H 522 4.159 4.159 4.320 -0.161 25010 3828 1 9 . 1 1 522 522 ALA CA C 522 53.689 53.689 52.538 1.151 25010 3829 1 9 . 1 1 522 522 ALA CB C 522 19.915 19.915 18.902 1.013 25010 3830 1 9 . 1 1 522 522 ALA H H 522 7.572 7.572 7.167 0.405 25010 3831 1 9 . 1 1 523 523 GLY N N 523 107.946 107.946 105.302 2.644 25010 3832 1 9 . 1 1 523 523 GLY CA C 523 45.093 45.093 44.337 0.756 25010 3833 1 9 . 1 1 523 523 GLY H H 523 8.509 8.509 7.420 1.089 25010 3834 1 9 . 1 1 524 524 HIS N N 524 119.840 119.840 123.674 -3.834 25010 3835 1 9 . 1 1 524 524 HIS HA H 524 5.290 5.290 4.425 0.865 25010 3836 1 9 . 1 1 524 524 HIS CA C 524 56.034 56.034 55.455 0.580 25010 3837 1 9 . 1 1 524 524 HIS CB C 524 30.145 30.145 28.785 1.360 25010 3838 1 9 . 1 1 524 524 HIS H H 524 9.142 9.142 8.603 0.539 25010 3839 1 9 . 1 1 525 525 TYR N N 525 127.518 127.518 124.758 2.760 25010 3840 1 9 . 1 1 525 525 TYR HA H 525 5.218 5.218 4.632 0.586 25010 3841 1 9 . 1 1 525 525 TYR CA C 525 57.358 57.358 59.049 -1.691 25010 3842 1 9 . 1 1 525 525 TYR CB C 525 40.926 40.926 39.096 1.830 25010 3843 1 9 . 1 1 525 525 TYR H H 525 9.590 9.590 8.396 1.194 25010 3844 1 9 . 1 1 526 526 ALA N N 526 121.840 121.840 126.504 -4.664 25010 3845 1 9 . 1 1 526 526 ALA HA H 526 5.608 5.608 5.261 0.347 25010 3846 1 9 . 1 1 526 526 ALA CA C 526 49.627 49.627 50.123 -0.496 25010 3847 1 9 . 1 1 526 526 ALA CB C 526 24.176 24.176 22.598 1.578 25010 3848 1 9 . 1 1 526 526 ALA H H 526 9.116 9.116 9.115 0.001 25010 3849 1 9 . 1 1 527 527 LEU N N 527 121.819 121.819 124.019 -2.200 25010 3850 1 9 . 1 1 527 527 LEU HA H 527 4.564 4.564 5.421 -0.857 25010 3851 1 9 . 1 1 527 527 LEU CA C 527 53.112 53.112 52.938 0.173 25010 3852 1 9 . 1 1 527 527 LEU CB C 527 42.995 42.995 45.822 -2.827 25010 3853 1 9 . 1 1 527 527 LEU H H 527 8.177 8.177 9.068 -0.891 25010 3854 1 9 . 1 1 528 528 CYS N N 528 122.918 122.918 126.781 -3.863 25010 3855 1 9 . 1 1 528 528 CYS HA H 528 4.995 4.995 4.687 0.308 25010 3856 1 9 . 1 1 528 528 CYS CA C 528 57.302 57.302 57.276 0.026 25010 3857 1 9 . 1 1 528 528 CYS CB C 528 29.928 29.928 27.783 2.145 25010 3858 1 9 . 1 1 528 528 CYS H H 528 8.991 8.991 8.813 0.178 25010 3859 1 9 . 1 1 529 529 THR N N 529 116.311 116.311 120.136 -3.825 25010 3860 1 9 . 1 1 529 529 THR HA H 529 4.717 4.717 4.703 0.014 25010 3861 1 9 . 1 1 529 529 THR CA C 529 59.605 59.605 60.696 -1.091 25010 3862 1 9 . 1 1 529 529 THR CB C 529 71.228 71.228 70.939 0.289 25010 3863 1 9 . 1 1 529 529 THR H H 529 8.688 8.688 8.110 0.578 25010 3864 1 9 . 1 1 530 530 SER N N 530 115.043 115.043 117.375 -2.332 25010 3865 1 9 . 1 1 530 530 SER HA H 530 4.284 4.284 4.335 -0.051 25010 3866 1 9 . 1 1 530 530 SER CA C 530 59.975 59.975 60.286 -0.311 25010 3867 1 9 . 1 1 530 530 SER CB C 530 62.698 62.698 63.597 -0.899 25010 3868 1 9 . 1 1 530 530 SER H H 530 9.371 9.371 8.878 0.493 25010 3869 1 9 . 1 1 531 531 GLY N N 531 108.631 108.631 108.890 -0.259 25010 3870 1 9 . 1 1 531 531 GLY CA C 531 45.295 45.295 44.860 0.435 25010 3871 1 9 . 1 1 531 531 GLY H H 531 8.173 8.173 7.842 0.331 25010 3872 1 9 . 1 1 532 532 GLY N N 532 109.029 109.029 107.279 1.750 25010 3873 1 9 . 1 1 532 532 GLY CA C 532 45.389 45.389 44.225 1.164 25010 3874 1 9 . 1 1 532 532 GLY H H 532 7.540 7.540 7.713 -0.173 25010 3875 1 9 . 1 1 533 533 GLN N N 533 116.724 116.724 119.894 -3.170 25010 3876 1 9 . 1 1 533 533 GLN HA H 533 5.357 5.357 4.785 0.572 25010 3877 1 9 . 1 1 533 533 GLN CA C 533 54.682 54.682 54.742 -0.060 25010 3878 1 9 . 1 1 533 533 GLN CB C 533 32.353 32.353 30.726 1.627 25010 3879 1 9 . 1 1 533 533 GLN H H 533 8.309 8.309 8.399 -0.090 25010 3880 1 9 . 1 1 534 534 ALA N N 534 126.868 126.868 130.407 -3.539 25010 3881 1 9 . 1 1 534 534 ALA HA H 534 4.870 4.870 4.795 0.075 25010 3882 1 9 . 1 1 534 534 ALA CA C 534 50.764 50.764 50.600 0.164 25010 3883 1 9 . 1 1 534 534 ALA CB C 534 22.046 22.046 20.890 1.156 25010 3884 1 9 . 1 1 534 534 ALA H H 534 8.876 8.876 9.051 -0.175 25010 3885 1 9 . 1 1 535 535 LEU N N 535 122.735 122.735 123.492 -0.757 25010 3886 1 9 . 1 1 535 535 LEU HA H 535 5.401 5.401 5.138 0.263 25010 3887 1 9 . 1 1 535 535 LEU CA C 535 54.530 54.530 54.515 0.015 25010 3888 1 9 . 1 1 535 535 LEU CB C 535 46.423 46.423 45.631 0.792 25010 3889 1 9 . 1 1 535 535 LEU H H 535 8.445 8.445 8.441 0.004 25010 3890 1 9 . 1 1 536 536 ALA N N 536 125.503 125.503 127.762 -2.259 25010 3891 1 9 . 1 1 536 536 ALA HA H 536 4.758 4.758 4.739 0.019 25010 3892 1 9 . 1 1 536 536 ALA CA C 536 51.975 51.975 51.035 0.940 25010 3893 1 9 . 1 1 536 536 ALA CB C 536 24.534 24.534 22.160 2.374 25010 3894 1 9 . 1 1 536 536 ALA H H 536 9.375 9.375 8.670 0.705 25010 3895 1 9 . 1 1 537 537 GLU N N 537 121.939 121.939 119.734 2.205 25010 3896 1 9 . 1 1 537 537 GLU HA H 537 4.942 4.942 4.079 0.863 25010 3897 1 9 . 1 1 537 537 GLU CA C 537 55.059 55.059 55.093 -0.034 25010 3898 1 9 . 1 1 537 537 GLU CB C 537 31.991 31.991 29.713 2.278 25010 3899 1 9 . 1 1 537 537 GLU H H 537 9.320 9.320 8.434 0.886 25010 3900 1 9 . 1 1 538 538 LEU N N 538 125.030 125.030 126.970 -1.940 25010 3901 1 9 . 1 1 538 538 LEU HA H 538 5.372 5.372 4.702 0.670 25010 3902 1 9 . 1 1 538 538 LEU CA C 538 53.663 53.663 54.289 -0.626 25010 3903 1 9 . 1 1 538 538 LEU CB C 538 45.180 45.180 44.332 0.848 25010 3904 1 9 . 1 1 538 538 LEU H H 538 9.306 9.306 8.022 1.284 25010 3905 1 9 . 1 1 539 539 ILE N N 539 130.825 130.825 125.909 4.916 25010 3906 1 9 . 1 1 539 539 ILE HA H 539 4.304 4.304 4.456 -0.152 25010 3907 1 9 . 1 1 539 539 ILE CA C 539 61.221 61.221 60.674 0.547 25010 3908 1 9 . 1 1 539 539 ILE CB C 539 39.938 39.938 41.710 -1.772 25010 3909 1 9 . 1 1 539 539 ILE H H 539 8.908 8.908 8.571 0.337 25010 3910 1 9 . 1 1 540 540 VAL N N 540 125.447 125.447 126.144 -0.697 25010 3911 1 9 . 1 1 540 540 VAL HA H 540 4.806 4.806 5.040 -0.234 25010 3912 1 9 . 1 1 540 540 VAL CA C 540 60.340 60.340 60.760 -0.420 25010 3913 1 9 . 1 1 540 540 VAL CB C 540 33.794 33.794 33.271 0.523 25010 3914 1 9 . 1 1 540 540 VAL H H 540 7.890 7.890 8.511 -0.621 25010 3915 1 9 . 1 1 541 541 GLN N N 541 126.060 126.060 127.731 -1.671 25010 3916 1 9 . 1 1 541 541 GLN HA H 541 4.652 4.652 4.586 0.066 25010 3917 1 9 . 1 1 541 541 GLN CA C 541 54.441 54.441 54.327 0.114 25010 3918 1 9 . 1 1 541 541 GLN CB C 541 30.994 30.994 30.874 0.120 25010 3919 1 9 . 1 1 541 541 GLN H H 541 9.089 9.089 8.513 0.576 25010 3920 1 9 . 1 1 542 542 GLU N N 542 122.213 122.213 123.583 -1.370 25010 3921 1 9 . 1 1 542 542 GLU HA H 542 4.340 4.340 4.274 0.066 25010 3922 1 9 . 1 1 542 542 GLU CA C 542 57.168 57.168 56.110 1.058 25010 3923 1 9 . 1 1 542 542 GLU CB C 542 32.061 32.061 30.286 1.775 25010 3924 1 9 . 1 1 542 542 GLU H H 542 8.763 8.763 8.662 0.101 25010 3925 1 10 . 1 1 451 451 HIS HA H 451 4.666 4.666 4.835 -0.169 25010 3926 1 10 . 1 1 451 451 HIS CA C 451 56.039 56.039 55.301 0.738 25010 3927 1 10 . 1 1 451 451 HIS CB C 451 30.388 30.388 31.192 -0.804 25010 3928 1 10 . 1 1 452 452 MET N N 452 123.092 123.092 121.875 1.217 25010 3929 1 10 . 1 1 452 452 MET CB C 452 32.012 32.012 33.567 -1.555 25010 3930 1 10 . 1 1 452 452 MET H H 452 8.328 8.328 8.433 -0.105 25010 3931 1 10 . 1 1 453 453 PRO HA H 453 4.316 4.316 4.529 -0.213 25010 3932 1 10 . 1 1 453 453 PRO CA C 453 62.807 62.807 62.260 0.547 25010 3933 1 10 . 1 1 453 453 PRO CB C 453 32.230 32.230 32.410 -0.180 25010 3934 1 10 . 1 1 454 454 VAL N N 454 122.113 122.113 123.215 -1.102 25010 3935 1 10 . 1 1 454 454 VAL HA H 454 3.762 3.762 3.994 -0.232 25010 3936 1 10 . 1 1 454 454 VAL CA C 454 63.093 63.093 62.285 0.808 25010 3937 1 10 . 1 1 454 454 VAL CB C 454 32.192 32.192 31.452 0.740 25010 3938 1 10 . 1 1 454 454 VAL H H 454 7.806 7.806 8.313 -0.507 25010 3939 1 10 . 1 1 455 455 LEU N N 455 129.322 129.322 128.540 0.782 25010 3940 1 10 . 1 1 455 455 LEU HA H 455 4.459 4.459 4.517 -0.058 25010 3941 1 10 . 1 1 455 455 LEU CA C 455 53.133 53.133 53.562 -0.429 25010 3942 1 10 . 1 1 455 455 LEU CB C 455 43.699 43.699 44.267 -0.568 25010 3943 1 10 . 1 1 455 455 LEU H H 455 8.586 8.586 8.677 -0.091 25010 3944 1 10 . 1 1 456 456 ILE N N 456 120.924 120.924 120.346 0.578 25010 3945 1 10 . 1 1 456 456 ILE HA H 456 4.259 4.259 4.181 0.078 25010 3946 1 10 . 1 1 456 456 ILE CA C 456 60.937 60.937 60.356 0.581 25010 3947 1 10 . 1 1 456 456 ILE CB C 456 36.860 36.860 36.471 0.389 25010 3948 1 10 . 1 1 456 456 ILE H H 456 8.519 8.519 8.335 0.184 25010 3949 1 10 . 1 1 457 457 THR N N 457 120.896 120.896 123.948 -3.052 25010 3950 1 10 . 1 1 457 457 THR HA H 457 4.297 4.297 4.219 0.078 25010 3951 1 10 . 1 1 457 457 THR CA C 457 62.783 62.783 63.867 -1.084 25010 3952 1 10 . 1 1 457 457 THR CB C 457 67.927 67.927 69.530 -1.603 25010 3953 1 10 . 1 1 457 457 THR H H 457 8.671 8.671 8.741 -0.070 25010 3954 1 10 . 1 1 458 458 ARG N N 458 122.706 122.706 121.752 0.954 25010 3955 1 10 . 1 1 458 458 ARG HA H 458 4.931 4.931 4.854 0.077 25010 3956 1 10 . 1 1 458 458 ARG CA C 458 53.816 53.816 52.595 1.221 25010 3957 1 10 . 1 1 458 458 ARG CB C 458 32.443 32.443 29.984 2.459 25010 3958 1 10 . 1 1 458 458 ARG H H 458 7.576 7.576 7.526 0.050 25010 3959 1 10 . 1 1 459 459 PRO HA H 459 4.315 4.315 4.448 -0.133 25010 3960 1 10 . 1 1 459 459 PRO CA C 459 62.763 62.763 62.591 0.172 25010 3961 1 10 . 1 1 459 459 PRO CB C 459 32.644 32.644 32.230 0.415 25010 3962 1 10 . 1 1 460 460 LEU N N 460 115.406 115.406 120.893 -5.487 25010 3963 1 10 . 1 1 460 460 LEU HA H 460 4.575 4.575 4.477 0.098 25010 3964 1 10 . 1 1 460 460 LEU CA C 460 55.114 55.114 54.154 0.960 25010 3965 1 10 . 1 1 460 460 LEU CB C 460 45.383 45.383 42.768 2.615 25010 3966 1 10 . 1 1 460 460 LEU H H 460 6.134 6.134 7.987 -1.853 25010 3967 1 10 . 1 1 461 461 GLU N N 461 120.629 120.629 120.573 0.056 25010 3968 1 10 . 1 1 461 461 GLU HA H 461 4.826 4.826 4.280 0.546 25010 3969 1 10 . 1 1 461 461 GLU CA C 461 54.846 54.846 56.969 -2.123 25010 3970 1 10 . 1 1 461 461 GLU CB C 461 32.513 32.513 29.982 2.531 25010 3971 1 10 . 1 1 461 461 GLU H H 461 8.409 8.409 8.780 -0.371 25010 3972 1 10 . 1 1 462 462 ASP N N 462 122.487 122.487 123.297 -0.810 25010 3973 1 10 . 1 1 462 462 ASP HA H 462 5.043 5.043 4.548 0.495 25010 3974 1 10 . 1 1 462 462 ASP CA C 462 55.551 55.551 54.474 1.077 25010 3975 1 10 . 1 1 462 462 ASP CB C 462 41.180 41.180 41.182 -0.002 25010 3976 1 10 . 1 1 462 462 ASP H H 462 8.603 8.603 8.630 -0.027 25010 3977 1 10 . 1 1 463 463 GLN N N 463 117.119 117.119 119.933 -2.814 25010 3978 1 10 . 1 1 463 463 GLN HA H 463 4.687 4.687 4.362 0.325 25010 3979 1 10 . 1 1 463 463 GLN CA C 463 54.383 54.383 55.175 -0.791 25010 3980 1 10 . 1 1 463 463 GLN CB C 463 33.212 33.212 29.928 3.284 25010 3981 1 10 . 1 1 463 463 GLN H H 463 8.785 8.785 7.731 1.054 25010 3982 1 10 . 1 1 464 464 LEU N N 464 127.523 127.523 123.682 3.841 25010 3983 1 10 . 1 1 464 464 LEU HA H 464 5.337 5.337 4.573 0.764 25010 3984 1 10 . 1 1 464 464 LEU CA C 464 54.511 54.511 54.333 0.179 25010 3985 1 10 . 1 1 464 464 LEU CB C 464 44.048 44.048 43.286 0.762 25010 3986 1 10 . 1 1 464 464 LEU H H 464 8.420 8.420 8.378 0.042 25010 3987 1 10 . 1 1 465 465 VAL N N 465 119.244 119.244 120.481 -1.237 25010 3988 1 10 . 1 1 465 465 VAL HA H 465 4.796 4.796 4.586 0.210 25010 3989 1 10 . 1 1 465 465 VAL CA C 465 58.546 58.546 59.838 -1.292 25010 3990 1 10 . 1 1 465 465 VAL CB C 465 36.136 36.136 35.668 0.468 25010 3991 1 10 . 1 1 465 465 VAL H H 465 8.730 8.730 9.052 -0.322 25010 3992 1 10 . 1 1 466 466 MET N N 466 119.234 119.234 118.593 0.641 25010 3993 1 10 . 1 1 466 466 MET HA H 466 5.269 5.269 5.209 0.060 25010 3994 1 10 . 1 1 466 466 MET CA C 466 52.842 52.842 54.020 -1.178 25010 3995 1 10 . 1 1 466 466 MET CB C 466 33.563 33.563 35.304 -1.741 25010 3996 1 10 . 1 1 466 466 MET H H 466 8.099 8.099 8.184 -0.085 25010 3997 1 10 . 1 1 467 467 VAL N N 467 119.519 119.519 120.313 -0.794 25010 3998 1 10 . 1 1 467 467 VAL HA H 467 3.457 3.457 4.150 -0.693 25010 3999 1 10 . 1 1 467 467 VAL CA C 467 64.434 64.434 63.536 0.898 25010 4000 1 10 . 1 1 467 467 VAL CB C 467 32.220 32.220 30.873 1.347 25010 4001 1 10 . 1 1 467 467 VAL H H 467 7.917 7.917 8.417 -0.500 25010 4002 1 10 . 1 1 468 468 GLY N N 468 115.365 115.365 114.683 0.682 25010 4003 1 10 . 1 1 468 468 GLY CA C 468 44.814 44.814 44.884 -0.070 25010 4004 1 10 . 1 1 468 468 GLY H H 468 9.845 9.845 9.091 0.754 25010 4005 1 10 . 1 1 469 469 GLN N N 469 120.329 120.329 119.333 0.996 25010 4006 1 10 . 1 1 469 469 GLN HA H 469 4.433 4.433 4.395 0.038 25010 4007 1 10 . 1 1 469 469 GLN CA C 469 55.841 55.841 54.668 1.173 25010 4008 1 10 . 1 1 469 469 GLN CB C 469 30.198 30.198 29.795 0.403 25010 4009 1 10 . 1 1 469 469 GLN H H 469 7.984 7.984 7.481 0.503 25010 4010 1 10 . 1 1 470 470 ARG N N 470 122.940 122.940 124.922 -1.982 25010 4011 1 10 . 1 1 470 470 ARG HA H 470 4.603 4.603 4.591 0.012 25010 4012 1 10 . 1 1 470 470 ARG CA C 470 55.873 55.873 56.477 -0.604 25010 4013 1 10 . 1 1 470 470 ARG CB C 470 31.614 31.614 30.363 1.251 25010 4014 1 10 . 1 1 470 470 ARG H H 470 8.138 8.138 8.552 -0.414 25010 4015 1 10 . 1 1 471 471 VAL N N 471 127.100 127.100 127.945 -0.845 25010 4016 1 10 . 1 1 471 471 VAL HA H 471 4.135 4.135 4.196 -0.061 25010 4017 1 10 . 1 1 471 471 VAL CA C 471 60.424 60.424 61.258 -0.834 25010 4018 1 10 . 1 1 471 471 VAL CB C 471 34.725 34.725 34.025 0.700 25010 4019 1 10 . 1 1 471 471 VAL H H 471 8.869 8.869 8.190 0.679 25010 4020 1 10 . 1 1 472 472 GLU N N 472 126.220 126.220 124.766 1.454 25010 4021 1 10 . 1 1 472 472 GLU HA H 472 5.096 5.096 4.877 0.219 25010 4022 1 10 . 1 1 472 472 GLU CA C 472 54.644 54.644 53.473 1.171 25010 4023 1 10 . 1 1 472 472 GLU CB C 472 32.890 32.890 33.215 -0.325 25010 4024 1 10 . 1 1 472 472 GLU H H 472 8.601 8.601 8.244 0.357 25010 4025 1 10 . 1 1 473 473 PHE N N 473 125.641 125.641 121.830 3.811 25010 4026 1 10 . 1 1 473 473 PHE HA H 473 4.747 4.747 4.719 0.028 25010 4027 1 10 . 1 1 473 473 PHE CA C 473 57.513 57.513 57.049 0.464 25010 4028 1 10 . 1 1 473 473 PHE CB C 473 41.975 41.975 40.670 1.305 25010 4029 1 10 . 1 1 473 473 PHE H H 473 9.275 9.275 9.136 0.139 25010 4030 1 10 . 1 1 474 474 GLU N N 474 120.663 120.663 125.007 -4.344 25010 4031 1 10 . 1 1 474 474 GLU HA H 474 5.369 5.369 4.640 0.729 25010 4032 1 10 . 1 1 474 474 GLU CA C 474 54.976 54.976 55.413 -0.437 25010 4033 1 10 . 1 1 474 474 GLU CB C 474 32.849 32.849 30.288 2.561 25010 4034 1 10 . 1 1 474 474 GLU H H 474 8.452 8.452 8.939 -0.487 25010 4035 1 10 . 1 1 475 475 CYS N N 475 121.477 121.477 121.123 0.354 25010 4036 1 10 . 1 1 475 475 CYS HA H 475 4.818 4.818 4.931 -0.113 25010 4037 1 10 . 1 1 475 475 CYS CA C 475 56.706 56.706 56.834 -0.127 25010 4038 1 10 . 1 1 475 475 CYS CB C 475 30.937 30.937 30.362 0.575 25010 4039 1 10 . 1 1 475 475 CYS H H 475 9.015 9.015 8.789 0.226 25010 4040 1 10 . 1 1 476 476 GLU N N 476 123.383 123.383 124.521 -1.138 25010 4041 1 10 . 1 1 476 476 GLU HA H 476 5.522 5.522 5.563 -0.041 25010 4042 1 10 . 1 1 476 476 GLU CA C 476 55.076 55.076 54.097 0.979 25010 4043 1 10 . 1 1 476 476 GLU CB C 476 33.796 33.796 33.403 0.393 25010 4044 1 10 . 1 1 476 476 GLU H H 476 8.574 8.574 8.469 0.105 25010 4045 1 10 . 1 1 477 477 VAL N N 477 116.481 116.481 117.455 -0.974 25010 4046 1 10 . 1 1 477 477 VAL HA H 477 5.430 5.430 5.030 0.400 25010 4047 1 10 . 1 1 477 477 VAL CA C 477 58.827 58.827 58.880 -0.054 25010 4048 1 10 . 1 1 477 477 VAL CB C 477 34.087 34.087 34.577 -0.490 25010 4049 1 10 . 1 1 477 477 VAL H H 477 8.739 8.739 8.166 0.573 25010 4050 1 10 . 1 1 478 478 SER N N 478 111.234 111.234 114.348 -3.114 25010 4051 1 10 . 1 1 478 478 SER HA H 478 4.072 4.072 4.235 -0.163 25010 4052 1 10 . 1 1 478 478 SER CA C 478 60.984 60.984 60.456 0.527 25010 4053 1 10 . 1 1 478 478 SER CB C 478 63.568 63.568 63.921 -0.353 25010 4054 1 10 . 1 1 478 478 SER H H 478 8.779 8.779 8.359 0.420 25010 4055 1 10 . 1 1 479 479 GLU N N 479 116.983 116.983 120.573 -3.590 25010 4056 1 10 . 1 1 479 479 GLU HA H 479 4.872 4.872 4.439 0.433 25010 4057 1 10 . 1 1 479 479 GLU CA C 479 54.615 54.615 55.018 -0.403 25010 4058 1 10 . 1 1 479 479 GLU CB C 479 33.654 33.654 31.536 2.118 25010 4059 1 10 . 1 1 479 479 GLU H H 479 6.800 6.800 8.059 -1.259 25010 4060 1 10 . 1 1 480 480 GLU N N 480 124.422 124.422 126.725 -2.303 25010 4061 1 10 . 1 1 480 480 GLU HA H 480 4.405 4.405 4.267 0.138 25010 4062 1 10 . 1 1 480 480 GLU CA C 480 57.861 57.861 57.000 0.861 25010 4063 1 10 . 1 1 480 480 GLU CB C 480 29.787 29.787 30.221 -0.434 25010 4064 1 10 . 1 1 480 480 GLU H H 480 9.243 9.243 8.551 0.692 25010 4065 1 10 . 1 1 481 481 GLY CA C 481 45.916 45.916 45.702 0.214 25010 4066 1 10 . 1 1 482 482 ALA N N 482 121.277 121.277 120.636 0.641 25010 4067 1 10 . 1 1 482 482 ALA HA H 482 4.513 4.513 4.399 0.114 25010 4068 1 10 . 1 1 482 482 ALA CA C 482 52.243 52.243 51.541 0.702 25010 4069 1 10 . 1 1 482 482 ALA CB C 482 20.653 20.653 21.073 -0.420 25010 4070 1 10 . 1 1 482 482 ALA H H 482 7.449 7.449 7.589 -0.140 25010 4071 1 10 . 1 1 483 483 GLN N N 483 121.318 121.318 120.882 0.436 25010 4072 1 10 . 1 1 483 483 GLN HA H 483 4.481 4.481 4.629 -0.148 25010 4073 1 10 . 1 1 483 483 GLN CA C 483 55.471 55.471 54.887 0.584 25010 4074 1 10 . 1 1 483 483 GLN CB C 483 28.077 28.077 30.829 -2.752 25010 4075 1 10 . 1 1 483 483 GLN H H 483 8.541 8.541 8.704 -0.163 25010 4076 1 10 . 1 1 484 484 VAL N N 484 118.395 118.395 120.083 -1.688 25010 4077 1 10 . 1 1 484 484 VAL HA H 484 4.919 4.919 4.718 0.201 25010 4078 1 10 . 1 1 484 484 VAL CA C 484 58.491 58.491 59.086 -0.595 25010 4079 1 10 . 1 1 484 484 VAL CB C 484 34.518 34.518 33.527 0.991 25010 4080 1 10 . 1 1 484 484 VAL H H 484 8.283 8.283 8.171 0.112 25010 4081 1 10 . 1 1 485 485 LYS N N 485 119.957 119.957 125.036 -5.079 25010 4082 1 10 . 1 1 485 485 LYS HA H 485 4.594 4.594 4.588 0.006 25010 4083 1 10 . 1 1 485 485 LYS CA C 485 55.038 55.038 54.756 0.282 25010 4084 1 10 . 1 1 485 485 LYS CB C 485 36.678 36.678 36.410 0.268 25010 4085 1 10 . 1 1 485 485 LYS H H 485 8.039 8.039 8.483 -0.444 25010 4086 1 10 . 1 1 486 486 TRP N N 486 123.677 123.677 123.496 0.181 25010 4087 1 10 . 1 1 486 486 TRP HA H 486 5.608 5.608 4.976 0.632 25010 4088 1 10 . 1 1 486 486 TRP CA C 486 55.766 55.766 56.371 -0.605 25010 4089 1 10 . 1 1 486 486 TRP CB C 486 32.033 32.033 30.994 1.039 25010 4090 1 10 . 1 1 486 486 TRP H H 486 8.767 8.767 8.530 0.237 25010 4091 1 10 . 1 1 487 487 LEU N N 487 121.292 121.292 124.558 -3.266 25010 4092 1 10 . 1 1 487 487 LEU HA H 487 5.199 5.199 4.742 0.457 25010 4093 1 10 . 1 1 487 487 LEU CA C 487 53.645 53.645 54.406 -0.761 25010 4094 1 10 . 1 1 487 487 LEU CB C 487 46.241 46.241 46.147 0.094 25010 4095 1 10 . 1 1 487 487 LEU H H 487 9.599 9.599 9.365 0.234 25010 4096 1 10 . 1 1 488 488 LYS N N 488 119.097 119.097 127.953 -8.856 25010 4097 1 10 . 1 1 488 488 LYS HA H 488 4.448 4.448 4.637 -0.189 25010 4098 1 10 . 1 1 488 488 LYS CA C 488 55.221 55.221 54.684 0.537 25010 4099 1 10 . 1 1 488 488 LYS CB C 488 35.636 35.636 32.923 2.713 25010 4100 1 10 . 1 1 488 488 LYS H H 488 8.702 8.702 9.066 -0.364 25010 4101 1 10 . 1 1 489 489 ASP N N 489 130.255 130.255 128.413 1.842 25010 4102 1 10 . 1 1 489 489 ASP HA H 489 4.377 4.377 4.299 0.078 25010 4103 1 10 . 1 1 489 489 ASP CA C 489 55.843 55.843 55.622 0.221 25010 4104 1 10 . 1 1 489 489 ASP CB C 489 40.211 40.211 40.150 0.061 25010 4105 1 10 . 1 1 489 489 ASP H H 489 9.895 9.895 9.315 0.580 25010 4106 1 10 . 1 1 490 490 GLY N N 490 101.682 101.682 103.803 -2.121 25010 4107 1 10 . 1 1 490 490 GLY CA C 490 45.394 45.394 44.916 0.478 25010 4108 1 10 . 1 1 490 490 GLY H H 490 8.673 8.673 8.568 0.105 25010 4109 1 10 . 1 1 491 491 VAL N N 491 123.371 123.371 123.881 -0.510 25010 4110 1 10 . 1 1 491 491 VAL HA H 491 4.197 4.197 4.212 -0.015 25010 4111 1 10 . 1 1 491 491 VAL CA C 491 61.597 61.597 60.707 0.890 25010 4112 1 10 . 1 1 491 491 VAL CB C 491 33.598 33.598 32.310 1.288 25010 4113 1 10 . 1 1 491 491 VAL H H 491 7.954 7.954 8.074 -0.120 25010 4114 1 10 . 1 1 492 492 GLU N N 492 127.934 127.934 127.972 -0.038 25010 4115 1 10 . 1 1 492 492 GLU HA H 492 4.410 4.410 4.362 0.048 25010 4116 1 10 . 1 1 492 492 GLU CA C 492 57.649 57.649 55.938 1.711 25010 4117 1 10 . 1 1 492 492 GLU CB C 492 29.242 29.242 30.451 -1.209 25010 4118 1 10 . 1 1 492 492 GLU H H 492 8.781 8.781 8.536 0.245 25010 4119 1 10 . 1 1 493 493 LEU N N 493 127.787 127.787 128.755 -0.968 25010 4120 1 10 . 1 1 493 493 LEU HA H 493 4.591 4.591 4.375 0.216 25010 4121 1 10 . 1 1 493 493 LEU CA C 493 54.628 54.628 54.954 -0.326 25010 4122 1 10 . 1 1 493 493 LEU CB C 493 41.823 41.823 42.635 -0.812 25010 4123 1 10 . 1 1 493 493 LEU H H 493 8.934 8.934 8.044 0.890 25010 4124 1 10 . 1 1 494 494 THR N N 494 114.564 114.564 115.968 -1.404 25010 4125 1 10 . 1 1 494 494 THR HA H 494 4.238 4.238 4.713 -0.475 25010 4126 1 10 . 1 1 494 494 THR CA C 494 61.209 61.209 61.829 -0.620 25010 4127 1 10 . 1 1 494 494 THR CB C 494 70.420 70.420 70.097 0.323 25010 4128 1 10 . 1 1 494 494 THR H H 494 8.338 8.338 8.232 0.106 25010 4129 1 10 . 1 1 495 495 ARG N N 495 121.286 121.286 124.576 -3.290 25010 4130 1 10 . 1 1 495 495 ARG HA H 495 4.421 4.421 4.672 -0.251 25010 4131 1 10 . 1 1 495 495 ARG CA C 495 56.805 56.805 58.498 -1.693 25010 4132 1 10 . 1 1 495 495 ARG CB C 495 30.014 30.014 30.389 -0.375 25010 4133 1 10 . 1 1 495 495 ARG H H 495 8.580 8.580 8.881 -0.301 25010 4134 1 10 . 1 1 496 496 GLU N N 496 120.070 120.070 117.549 2.521 25010 4135 1 10 . 1 1 496 496 GLU HA H 496 4.341 4.341 4.516 -0.175 25010 4136 1 10 . 1 1 496 496 GLU CA C 496 57.093 57.093 54.437 2.656 25010 4137 1 10 . 1 1 496 496 GLU CB C 496 29.927 29.927 28.627 1.300 25010 4138 1 10 . 1 1 496 496 GLU H H 496 8.304 8.304 8.032 0.272 25010 4139 1 10 . 1 1 497 497 GLU N N 497 120.611 120.611 120.997 -0.386 25010 4140 1 10 . 1 1 497 497 GLU HA H 497 4.390 4.390 4.343 0.047 25010 4141 1 10 . 1 1 497 497 GLU CA C 497 56.781 56.781 56.818 -0.037 25010 4142 1 10 . 1 1 497 497 GLU CB C 497 29.722 29.722 30.443 -0.721 25010 4143 1 10 . 1 1 497 497 GLU H H 497 8.181 8.181 7.867 0.314 25010 4144 1 10 . 1 1 498 498 THR N N 498 113.761 113.761 114.727 -0.966 25010 4145 1 10 . 1 1 498 498 THR HA H 498 4.519 4.519 4.276 0.243 25010 4146 1 10 . 1 1 498 498 THR CA C 498 61.768 61.768 62.190 -0.422 25010 4147 1 10 . 1 1 498 498 THR CB C 498 69.893 69.893 69.642 0.250 25010 4148 1 10 . 1 1 498 498 THR H H 498 8.077 8.077 8.133 -0.056 25010 4149 1 10 . 1 1 499 499 PHE N N 499 119.315 119.315 117.779 1.536 25010 4150 1 10 . 1 1 499 499 PHE HA H 499 4.571 4.571 4.631 -0.060 25010 4151 1 10 . 1 1 499 499 PHE CA C 499 58.469 58.469 56.875 1.594 25010 4152 1 10 . 1 1 499 499 PHE CB C 499 38.648 38.648 37.892 0.756 25010 4153 1 10 . 1 1 499 499 PHE H H 499 8.089 8.089 8.383 -0.294 25010 4154 1 10 . 1 1 500 500 LYS N N 500 120.851 120.851 121.163 -0.312 25010 4155 1 10 . 1 1 500 500 LYS HA H 500 4.146 4.146 3.904 0.242 25010 4156 1 10 . 1 1 500 500 LYS CA C 500 57.814 57.814 58.154 -0.340 25010 4157 1 10 . 1 1 500 500 LYS CB C 500 33.603 33.603 32.567 1.036 25010 4158 1 10 . 1 1 500 500 LYS H H 500 8.100 8.100 7.648 0.452 25010 4159 1 10 . 1 1 501 501 TYR N N 501 114.551 114.551 112.870 1.681 25010 4160 1 10 . 1 1 501 501 TYR HA H 501 4.782 4.782 5.649 -0.867 25010 4161 1 10 . 1 1 501 501 TYR CA C 501 55.002 55.002 54.859 0.143 25010 4162 1 10 . 1 1 501 501 TYR CB C 501 41.643 41.643 41.251 0.392 25010 4163 1 10 . 1 1 501 501 TYR H H 501 7.259 7.259 7.064 0.195 25010 4164 1 10 . 1 1 502 502 TRP N N 502 119.304 119.304 122.154 -2.850 25010 4165 1 10 . 1 1 502 502 TRP HA H 502 5.351 5.351 5.216 0.135 25010 4166 1 10 . 1 1 502 502 TRP CA C 502 55.377 55.377 55.582 -0.205 25010 4167 1 10 . 1 1 502 502 TRP CB C 502 30.599 30.599 31.868 -1.269 25010 4168 1 10 . 1 1 502 502 TRP H H 502 8.399 8.399 8.923 -0.524 25010 4169 1 10 . 1 1 503 503 PHE N N 503 119.216 119.216 118.109 1.107 25010 4170 1 10 . 1 1 503 503 PHE HA H 503 5.382 5.382 5.701 -0.319 25010 4171 1 10 . 1 1 503 503 PHE CA C 503 54.961 54.961 55.098 -0.137 25010 4172 1 10 . 1 1 503 503 PHE CB C 503 41.607 41.607 41.884 -0.277 25010 4173 1 10 . 1 1 503 503 PHE H H 503 8.840 8.840 8.091 0.749 25010 4174 1 10 . 1 1 504 504 LYS N N 504 120.145 120.145 124.895 -4.750 25010 4175 1 10 . 1 1 504 504 LYS HA H 504 4.887 4.887 4.872 0.015 25010 4176 1 10 . 1 1 504 504 LYS CA C 504 55.586 55.586 54.856 0.730 25010 4177 1 10 . 1 1 504 504 LYS CB C 504 36.415 36.415 34.539 1.876 25010 4178 1 10 . 1 1 504 504 LYS H H 504 8.870 8.870 9.254 -0.384 25010 4179 1 10 . 1 1 505 505 LYS N N 505 126.170 126.170 125.196 0.974 25010 4180 1 10 . 1 1 505 505 LYS HA H 505 4.901 4.901 4.683 0.218 25010 4181 1 10 . 1 1 505 505 LYS CA C 505 55.352 55.352 54.333 1.019 25010 4182 1 10 . 1 1 505 505 LYS CB C 505 34.907 34.907 33.932 0.975 25010 4183 1 10 . 1 1 505 505 LYS H H 505 8.838 8.838 8.734 0.104 25010 4184 1 10 . 1 1 506 506 ASP N N 506 125.883 125.883 124.742 1.141 25010 4185 1 10 . 1 1 506 506 ASP HA H 506 4.839 4.839 4.748 0.091 25010 4186 1 10 . 1 1 506 506 ASP CA C 506 52.564 52.564 53.889 -1.325 25010 4187 1 10 . 1 1 506 506 ASP CB C 506 41.961 41.961 41.494 0.467 25010 4188 1 10 . 1 1 506 506 ASP H H 506 8.947 8.947 8.489 0.458 25010 4189 1 10 . 1 1 507 507 GLY N N 507 114.432 114.432 114.527 -0.095 25010 4190 1 10 . 1 1 507 507 GLY CA C 507 47.615 47.615 46.281 1.334 25010 4191 1 10 . 1 1 507 507 GLY H H 507 9.004 9.004 8.174 0.830 25010 4192 1 10 . 1 1 508 508 GLN N N 508 128.557 128.557 124.053 4.504 25010 4193 1 10 . 1 1 508 508 GLN HA H 508 4.119 4.119 4.239 -0.120 25010 4194 1 10 . 1 1 508 508 GLN CA C 508 57.237 57.237 57.213 0.024 25010 4195 1 10 . 1 1 508 508 GLN CB C 508 29.867 29.867 29.576 0.291 25010 4196 1 10 . 1 1 508 508 GLN H H 508 9.448 9.448 8.665 0.783 25010 4197 1 10 . 1 1 509 509 ARG N N 509 120.332 120.332 119.017 1.315 25010 4198 1 10 . 1 1 509 509 ARG HA H 509 4.986 4.986 4.791 0.195 25010 4199 1 10 . 1 1 509 509 ARG CA C 509 56.146 56.146 55.084 1.062 25010 4200 1 10 . 1 1 509 509 ARG CB C 509 32.012 32.012 31.864 0.148 25010 4201 1 10 . 1 1 509 509 ARG H H 509 8.215 8.215 7.511 0.704 25010 4202 1 10 . 1 1 510 510 HIS N N 510 122.773 122.773 122.055 0.718 25010 4203 1 10 . 1 1 510 510 HIS HA H 510 5.136 5.136 5.725 -0.589 25010 4204 1 10 . 1 1 510 510 HIS CA C 510 56.449 56.449 54.266 2.183 25010 4205 1 10 . 1 1 510 510 HIS CB C 510 35.290 35.290 34.454 0.836 25010 4206 1 10 . 1 1 510 510 HIS H H 510 8.786 8.786 9.258 -0.472 25010 4207 1 10 . 1 1 511 511 HIS N N 511 119.128 119.128 119.175 -0.047 25010 4208 1 10 . 1 1 511 511 HIS HA H 511 6.075 6.075 5.471 0.604 25010 4209 1 10 . 1 1 511 511 HIS CA C 511 53.818 53.818 55.182 -1.365 25010 4210 1 10 . 1 1 511 511 HIS CB C 511 33.422 33.422 32.874 0.548 25010 4211 1 10 . 1 1 511 511 HIS H H 511 9.269 9.269 9.091 0.178 25010 4212 1 10 . 1 1 512 512 LEU N N 512 125.504 125.504 127.770 -2.266 25010 4213 1 10 . 1 1 512 512 LEU HA H 512 4.384 4.384 4.807 -0.423 25010 4214 1 10 . 1 1 512 512 LEU CA C 512 54.196 54.196 53.573 0.623 25010 4215 1 10 . 1 1 512 512 LEU CB C 512 42.275 42.275 43.554 -1.279 25010 4216 1 10 . 1 1 512 512 LEU H H 512 8.345 8.345 9.084 -0.739 25010 4217 1 10 . 1 1 513 513 ILE N N 513 127.867 127.867 128.711 -0.844 25010 4218 1 10 . 1 1 513 513 ILE HA H 513 4.907 4.907 4.099 0.808 25010 4219 1 10 . 1 1 513 513 ILE CA C 513 59.524 59.524 60.178 -0.655 25010 4220 1 10 . 1 1 513 513 ILE CB C 513 40.044 40.044 38.397 1.647 25010 4221 1 10 . 1 1 513 513 ILE H H 513 8.776 8.776 8.931 -0.155 25010 4222 1 10 . 1 1 514 514 ILE N N 514 125.882 125.882 129.041 -3.159 25010 4223 1 10 . 1 1 514 514 ILE HA H 514 4.354 4.354 4.729 -0.375 25010 4224 1 10 . 1 1 514 514 ILE CA C 514 60.058 60.058 60.612 -0.554 25010 4225 1 10 . 1 1 514 514 ILE CB C 514 39.802 39.802 38.414 1.387 25010 4226 1 10 . 1 1 514 514 ILE H H 514 8.777 8.777 8.790 -0.013 25010 4227 1 10 . 1 1 515 515 ASN N N 515 124.270 124.270 125.603 -1.333 25010 4228 1 10 . 1 1 515 515 ASN HA H 515 4.277 4.277 4.581 -0.304 25010 4229 1 10 . 1 1 515 515 ASN CA C 515 57.166 57.166 56.921 0.245 25010 4230 1 10 . 1 1 515 515 ASN CB C 515 38.944 38.944 39.334 -0.390 25010 4231 1 10 . 1 1 515 515 ASN H H 515 8.068 8.068 8.391 -0.323 25010 4232 1 10 . 1 1 516 516 GLU N N 516 117.624 117.624 117.840 -0.216 25010 4233 1 10 . 1 1 516 516 GLU HA H 516 3.841 3.841 4.692 -0.851 25010 4234 1 10 . 1 1 516 516 GLU CA C 516 55.032 55.032 55.104 -0.072 25010 4235 1 10 . 1 1 516 516 GLU CB C 516 31.030 31.030 31.938 -0.908 25010 4236 1 10 . 1 1 516 516 GLU H H 516 8.320 8.320 8.072 0.248 25010 4237 1 10 . 1 1 517 517 ALA N N 517 125.884 125.884 129.339 -3.455 25010 4238 1 10 . 1 1 517 517 ALA HA H 517 4.186 4.186 4.354 -0.168 25010 4239 1 10 . 1 1 517 517 ALA CA C 517 53.726 53.726 53.057 0.669 25010 4240 1 10 . 1 1 517 517 ALA CB C 517 18.902 18.902 19.926 -1.024 25010 4241 1 10 . 1 1 517 517 ALA H H 517 8.735 8.735 8.620 0.115 25010 4242 1 10 . 1 1 518 518 MET N N 518 123.090 123.090 122.430 0.660 25010 4243 1 10 . 1 1 518 518 MET HA H 518 4.888 4.888 4.907 -0.019 25010 4244 1 10 . 1 1 518 518 MET CA C 518 53.006 53.006 53.614 -0.608 25010 4245 1 10 . 1 1 518 518 MET CB C 518 36.535 36.535 36.795 -0.260 25010 4246 1 10 . 1 1 518 518 MET H H 518 9.831 9.831 9.724 0.107 25010 4247 1 10 . 1 1 519 519 LEU N N 519 123.171 123.171 123.212 -0.041 25010 4248 1 10 . 1 1 519 519 LEU HA H 519 3.846 3.846 4.079 -0.233 25010 4249 1 10 . 1 1 519 519 LEU CA C 519 59.407 59.407 58.256 1.151 25010 4250 1 10 . 1 1 519 519 LEU CB C 519 40.967 40.967 40.065 0.902 25010 4251 1 10 . 1 1 519 519 LEU H H 519 9.108 9.108 8.748 0.360 25010 4252 1 10 . 1 1 520 520 GLU N N 520 115.409 115.409 119.330 -3.921 25010 4253 1 10 . 1 1 520 520 GLU HA H 520 4.257 4.257 4.053 0.204 25010 4254 1 10 . 1 1 520 520 GLU CA C 520 58.537 58.537 59.432 -0.895 25010 4255 1 10 . 1 1 520 520 GLU CB C 520 28.123 28.123 28.826 -0.703 25010 4256 1 10 . 1 1 520 520 GLU H H 520 9.118 9.118 8.897 0.221 25010 4257 1 10 . 1 1 521 521 ASP N N 521 117.154 117.154 117.991 -0.837 25010 4258 1 10 . 1 1 521 521 ASP HA H 521 4.692 4.692 4.514 0.178 25010 4259 1 10 . 1 1 521 521 ASP CA C 521 56.134 56.134 55.806 0.328 25010 4260 1 10 . 1 1 521 521 ASP CB C 521 41.053 41.053 40.644 0.409 25010 4261 1 10 . 1 1 521 521 ASP H H 521 8.114 8.114 8.092 0.022 25010 4262 1 10 . 1 1 522 522 ALA N N 522 123.368 123.368 121.104 2.264 25010 4263 1 10 . 1 1 522 522 ALA HA H 522 4.159 4.159 4.684 -0.525 25010 4264 1 10 . 1 1 522 522 ALA CA C 522 53.689 53.689 52.666 1.023 25010 4265 1 10 . 1 1 522 522 ALA CB C 522 19.915 19.915 18.957 0.958 25010 4266 1 10 . 1 1 522 522 ALA H H 522 7.572 7.572 7.175 0.397 25010 4267 1 10 . 1 1 523 523 GLY N N 523 107.946 107.946 105.746 2.200 25010 4268 1 10 . 1 1 523 523 GLY CA C 523 45.093 45.093 43.591 1.502 25010 4269 1 10 . 1 1 523 523 GLY H H 523 8.509 8.509 7.226 1.283 25010 4270 1 10 . 1 1 524 524 HIS N N 524 119.840 119.840 119.212 0.628 25010 4271 1 10 . 1 1 524 524 HIS HA H 524 5.290 5.290 4.450 0.840 25010 4272 1 10 . 1 1 524 524 HIS CA C 524 56.034 56.034 56.619 -0.585 25010 4273 1 10 . 1 1 524 524 HIS CB C 524 30.145 30.145 29.711 0.434 25010 4274 1 10 . 1 1 524 524 HIS H H 524 9.142 9.142 8.797 0.345 25010 4275 1 10 . 1 1 525 525 TYR N N 525 127.518 127.518 124.825 2.693 25010 4276 1 10 . 1 1 525 525 TYR HA H 525 5.218 5.218 4.541 0.677 25010 4277 1 10 . 1 1 525 525 TYR CA C 525 57.358 57.358 58.770 -1.412 25010 4278 1 10 . 1 1 525 525 TYR CB C 525 40.926 40.926 39.299 1.627 25010 4279 1 10 . 1 1 525 525 TYR H H 525 9.590 9.590 9.075 0.515 25010 4280 1 10 . 1 1 526 526 ALA N N 526 121.840 121.840 125.761 -3.921 25010 4281 1 10 . 1 1 526 526 ALA HA H 526 5.608 5.608 5.411 0.197 25010 4282 1 10 . 1 1 526 526 ALA CA C 526 49.627 49.627 49.964 -0.337 25010 4283 1 10 . 1 1 526 526 ALA CB C 526 24.176 24.176 22.637 1.539 25010 4284 1 10 . 1 1 526 526 ALA H H 526 9.116 9.116 9.387 -0.271 25010 4285 1 10 . 1 1 527 527 LEU N N 527 121.819 121.819 124.411 -2.592 25010 4286 1 10 . 1 1 527 527 LEU HA H 527 4.564 4.564 4.967 -0.403 25010 4287 1 10 . 1 1 527 527 LEU CA C 527 53.112 53.112 53.104 0.008 25010 4288 1 10 . 1 1 527 527 LEU CB C 527 42.995 42.995 44.883 -1.888 25010 4289 1 10 . 1 1 527 527 LEU H H 527 8.177 8.177 8.905 -0.728 25010 4290 1 10 . 1 1 528 528 CYS N N 528 122.918 122.918 127.527 -4.609 25010 4291 1 10 . 1 1 528 528 CYS HA H 528 4.995 4.995 4.668 0.327 25010 4292 1 10 . 1 1 528 528 CYS CA C 528 57.302 57.302 56.611 0.691 25010 4293 1 10 . 1 1 528 528 CYS CB C 528 29.928 29.928 28.610 1.318 25010 4294 1 10 . 1 1 528 528 CYS H H 528 8.991 8.991 8.885 0.106 25010 4295 1 10 . 1 1 529 529 THR N N 529 116.311 116.311 122.526 -6.215 25010 4296 1 10 . 1 1 529 529 THR HA H 529 4.717 4.717 4.824 -0.107 25010 4297 1 10 . 1 1 529 529 THR CA C 529 59.605 59.605 60.178 -0.573 25010 4298 1 10 . 1 1 529 529 THR CB C 529 71.228 71.228 71.458 -0.230 25010 4299 1 10 . 1 1 529 529 THR H H 529 8.688 8.688 8.162 0.526 25010 4300 1 10 . 1 1 530 530 SER N N 530 115.043 115.043 116.300 -1.257 25010 4301 1 10 . 1 1 530 530 SER HA H 530 4.284 4.284 4.245 0.039 25010 4302 1 10 . 1 1 530 530 SER CA C 530 59.975 59.975 60.645 -0.670 25010 4303 1 10 . 1 1 530 530 SER CB C 530 62.698 62.698 63.259 -0.561 25010 4304 1 10 . 1 1 530 530 SER H H 530 9.371 9.371 8.703 0.668 25010 4305 1 10 . 1 1 531 531 GLY N N 531 108.631 108.631 109.272 -0.641 25010 4306 1 10 . 1 1 531 531 GLY CA C 531 45.295 45.295 44.684 0.611 25010 4307 1 10 . 1 1 531 531 GLY H H 531 8.173 8.173 7.555 0.618 25010 4308 1 10 . 1 1 532 532 GLY N N 532 109.029 109.029 108.343 0.686 25010 4309 1 10 . 1 1 532 532 GLY CA C 532 45.389 45.389 44.347 1.042 25010 4310 1 10 . 1 1 532 532 GLY H H 532 7.540 7.540 8.418 -0.878 25010 4311 1 10 . 1 1 533 533 GLN N N 533 116.724 116.724 115.413 1.311 25010 4312 1 10 . 1 1 533 533 GLN HA H 533 5.357 5.357 5.029 0.328 25010 4313 1 10 . 1 1 533 533 GLN CA C 533 54.682 54.682 54.297 0.385 25010 4314 1 10 . 1 1 533 533 GLN CB C 533 32.353 32.353 32.495 -0.141 25010 4315 1 10 . 1 1 533 533 GLN H H 533 8.309 8.309 8.170 0.139 25010 4316 1 10 . 1 1 534 534 ALA N N 534 126.868 126.868 125.078 1.790 25010 4317 1 10 . 1 1 534 534 ALA HA H 534 4.870 4.870 4.761 0.109 25010 4318 1 10 . 1 1 534 534 ALA CA C 534 50.764 50.764 50.704 0.060 25010 4319 1 10 . 1 1 534 534 ALA CB C 534 22.046 22.046 20.203 1.843 25010 4320 1 10 . 1 1 534 534 ALA H H 534 8.876 8.876 8.842 0.034 25010 4321 1 10 . 1 1 535 535 LEU N N 535 122.735 122.735 125.795 -3.060 25010 4322 1 10 . 1 1 535 535 LEU HA H 535 5.401 5.401 5.390 0.011 25010 4323 1 10 . 1 1 535 535 LEU CA C 535 54.530 54.530 53.718 0.812 25010 4324 1 10 . 1 1 535 535 LEU CB C 535 46.423 46.423 44.510 1.913 25010 4325 1 10 . 1 1 535 535 LEU H H 535 8.445 8.445 8.645 -0.200 25010 4326 1 10 . 1 1 536 536 ALA N N 536 125.503 125.503 129.328 -3.825 25010 4327 1 10 . 1 1 536 536 ALA HA H 536 4.758 4.758 4.942 -0.184 25010 4328 1 10 . 1 1 536 536 ALA CA C 536 51.975 51.975 51.691 0.284 25010 4329 1 10 . 1 1 536 536 ALA CB C 536 24.534 24.534 22.501 2.033 25010 4330 1 10 . 1 1 536 536 ALA H H 536 9.375 9.375 8.953 0.422 25010 4331 1 10 . 1 1 537 537 GLU N N 537 121.939 121.939 121.056 0.883 25010 4332 1 10 . 1 1 537 537 GLU HA H 537 4.942 4.942 4.414 0.528 25010 4333 1 10 . 1 1 537 537 GLU CA C 537 55.059 55.059 54.783 0.276 25010 4334 1 10 . 1 1 537 537 GLU CB C 537 31.991 31.991 30.720 1.271 25010 4335 1 10 . 1 1 537 537 GLU H H 537 9.320 9.320 8.395 0.925 25010 4336 1 10 . 1 1 538 538 LEU N N 538 125.030 125.030 128.099 -3.069 25010 4337 1 10 . 1 1 538 538 LEU HA H 538 5.372 5.372 4.749 0.623 25010 4338 1 10 . 1 1 538 538 LEU CA C 538 53.663 53.663 54.205 -0.541 25010 4339 1 10 . 1 1 538 538 LEU CB C 538 45.180 45.180 43.683 1.497 25010 4340 1 10 . 1 1 538 538 LEU H H 538 9.306 9.306 8.187 1.119 25010 4341 1 10 . 1 1 539 539 ILE N N 539 130.825 130.825 127.843 2.982 25010 4342 1 10 . 1 1 539 539 ILE HA H 539 4.304 4.304 4.269 0.035 25010 4343 1 10 . 1 1 539 539 ILE CA C 539 61.221 61.221 60.884 0.337 25010 4344 1 10 . 1 1 539 539 ILE CB C 539 39.938 39.938 39.645 0.293 25010 4345 1 10 . 1 1 539 539 ILE H H 539 8.908 8.908 8.465 0.443 25010 4346 1 10 . 1 1 540 540 VAL N N 540 125.447 125.447 126.697 -1.250 25010 4347 1 10 . 1 1 540 540 VAL HA H 540 4.806 4.806 4.768 0.038 25010 4348 1 10 . 1 1 540 540 VAL CA C 540 60.340 60.340 60.485 -0.145 25010 4349 1 10 . 1 1 540 540 VAL CB C 540 33.794 33.794 31.682 2.112 25010 4350 1 10 . 1 1 540 540 VAL H H 540 7.890 7.890 8.688 -0.798 25010 4351 1 10 . 1 1 541 541 GLN N N 541 126.060 126.060 127.043 -0.983 25010 4352 1 10 . 1 1 541 541 GLN HA H 541 4.652 4.652 4.638 0.014 25010 4353 1 10 . 1 1 541 541 GLN CA C 541 54.441 54.441 54.135 0.306 25010 4354 1 10 . 1 1 541 541 GLN CB C 541 30.994 30.994 31.055 -0.061 25010 4355 1 10 . 1 1 541 541 GLN H H 541 9.089 9.089 8.820 0.269 25010 4356 1 10 . 1 1 542 542 GLU N N 542 122.213 122.213 121.093 1.120 25010 4357 1 10 . 1 1 542 542 GLU HA H 542 4.340 4.340 4.322 0.018 25010 4358 1 10 . 1 1 542 542 GLU CA C 542 57.168 57.168 56.282 0.886 25010 4359 1 10 . 1 1 542 542 GLU CB C 542 32.061 32.061 30.703 1.358 25010 4360 1 10 . 1 1 542 542 GLU H H 542 8.763 8.763 8.524 0.239 25010 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 88 2.754 0.769 2.660 25010 2 1 1 "Average Difference" HA 98 0.401 -0.110 0.387 25010 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25010 4 1 1 "Average Difference" CA 91 0.883 -0.174 0.871 25010 5 1 1 "Average Difference" CB 85 1.362 -0.496 1.276 25010 6 1 1 "Average Difference" HN 88 0.602 -0.166 0.582 25010 7 1 2 "Average Difference" N 88 2.789 0.809 2.685 25010 8 1 2 "Average Difference" HA 98 0.407 -0.114 0.393 25010 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25010 10 1 2 "Average Difference" CA 91 0.893 -0.120 0.890 25010 11 1 2 "Average Difference" CB 85 1.365 -0.550 1.257 25010 12 1 2 "Average Difference" HN 88 0.577 -0.147 0.562 25010 13 1 3 "Average Difference" N 88 2.500 0.708 2.412 25010 14 1 3 "Average Difference" HA 98 0.365 -0.095 0.354 25010 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25010 16 1 3 "Average Difference" CA 91 0.911 -0.202 0.893 25010 17 1 3 "Average Difference" CB 85 1.279 -0.448 1.205 25010 18 1 3 "Average Difference" HN 88 0.559 -0.102 0.553 25010 19 1 4 "Average Difference" N 88 2.719 0.833 2.603 25010 20 1 4 "Average Difference" HA 98 0.387 -0.138 0.363 25010 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25010 22 1 4 "Average Difference" CA 91 0.914 -0.098 0.914 25010 23 1 4 "Average Difference" CB 85 1.247 -0.510 1.144 25010 24 1 4 "Average Difference" HN 88 0.619 -0.161 0.601 25010 25 1 5 "Average Difference" N 88 2.828 1.022 2.652 25010 26 1 5 "Average Difference" HA 98 0.375 -0.085 0.367 25010 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25010 28 1 5 "Average Difference" CA 91 0.828 -0.170 0.815 25010 29 1 5 "Average Difference" CB 85 1.436 -0.562 1.329 25010 30 1 5 "Average Difference" HN 88 0.591 -0.091 0.588 25010 31 1 6 "Average Difference" N 88 2.814 0.770 2.722 25010 32 1 6 "Average Difference" HA 98 0.353 -0.087 0.344 25010 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25010 34 1 6 "Average Difference" CA 91 0.907 -0.174 0.895 25010 35 1 6 "Average Difference" CB 85 1.224 -0.457 1.143 25010 36 1 6 "Average Difference" HN 88 0.583 -0.076 0.581 25010 37 1 7 "Average Difference" N 88 2.773 0.913 2.634 25010 38 1 7 "Average Difference" HA 98 0.398 -0.112 0.384 25010 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25010 40 1 7 "Average Difference" CA 91 0.888 -0.192 0.872 25010 41 1 7 "Average Difference" CB 85 1.447 -0.540 1.350 25010 42 1 7 "Average Difference" HN 88 0.575 -0.132 0.563 25010 43 1 8 "Average Difference" N 88 2.776 0.419 2.760 25010 44 1 8 "Average Difference" HA 98 0.379 -0.117 0.363 25010 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25010 46 1 8 "Average Difference" CA 91 0.941 -0.197 0.925 25010 47 1 8 "Average Difference" CB 85 1.330 -0.462 1.254 25010 48 1 8 "Average Difference" HN 88 0.577 -0.139 0.563 25010 49 1 9 "Average Difference" N 88 2.700 0.874 2.570 25010 50 1 9 "Average Difference" HA 98 0.408 -0.147 0.383 25010 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25010 52 1 9 "Average Difference" CA 91 0.823 -0.149 0.814 25010 53 1 9 "Average Difference" CB 85 1.343 -0.500 1.254 25010 54 1 9 "Average Difference" HN 88 0.592 -0.181 0.567 25010 55 1 10 "Average Difference" N 88 2.503 0.756 2.400 25010 56 1 10 "Average Difference" HA 98 0.355 -0.067 0.350 25010 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25010 58 1 10 "Average Difference" CA 91 0.877 -0.165 0.866 25010 59 1 10 "Average Difference" CB 85 1.258 -0.461 1.178 25010 60 1 10 "Average Difference" HN 88 0.526 -0.102 0.519 25010 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 25010 _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 1 451 451 HIS HA H 451 4.666 4.666 4.672 -0.006 25010 2 1 . 1 1 451 451 HIS CA C 451 56.039 56.039 55.740 0.299 25010 3 1 . 1 1 451 451 HIS CB C 451 30.388 30.388 29.809 0.579 25010 4 1 . 1 1 452 452 MET N N 452 123.092 123.092 122.579 0.513 25010 5 1 . 1 1 452 452 MET CB C 452 32.012 32.012 32.724 -0.712 25010 6 1 . 1 1 452 452 MET H H 452 8.328 8.328 8.093 0.235 25010 7 1 . 1 1 453 453 PRO HA H 453 4.316 4.316 4.416 -0.100 25010 8 1 . 1 1 453 453 PRO CA C 453 62.807 62.807 62.299 0.508 25010 9 1 . 1 1 453 453 PRO CB C 453 32.230 32.230 32.277 -0.047 25010 10 1 . 1 1 454 454 VAL N N 454 122.113 122.113 121.461 0.652 25010 11 1 . 1 1 454 454 VAL HA H 454 3.762 3.762 3.909 -0.147 25010 12 1 . 1 1 454 454 VAL CA C 454 63.093 63.093 62.776 0.318 25010 13 1 . 1 1 454 454 VAL CB C 454 32.192 32.192 31.410 0.782 25010 14 1 . 1 1 454 454 VAL H H 454 7.806 7.806 8.287 -0.480 25010 15 1 . 1 1 455 455 LEU N N 455 129.322 129.322 128.640 0.682 25010 16 1 . 1 1 455 455 LEU HA H 455 4.459 4.459 4.449 0.010 25010 17 1 . 1 1 455 455 LEU CA C 455 53.133 53.133 54.280 -1.147 25010 18 1 . 1 1 455 455 LEU CB C 455 43.699 43.699 42.947 0.752 25010 19 1 . 1 1 455 455 LEU H H 455 8.586 8.586 8.255 0.331 25010 20 1 . 1 1 456 456 ILE N N 456 120.924 120.924 122.512 -1.588 25010 21 1 . 1 1 456 456 ILE HA H 456 4.259 4.259 4.307 -0.048 25010 22 1 . 1 1 456 456 ILE CA C 456 60.937 60.937 59.991 0.946 25010 23 1 . 1 1 456 456 ILE CB C 456 36.860 36.860 36.671 0.189 25010 24 1 . 1 1 456 456 ILE H H 456 8.519 8.519 8.420 0.099 25010 25 1 . 1 1 457 457 THR N N 457 120.896 120.896 122.806 -1.910 25010 26 1 . 1 1 457 457 THR HA H 457 4.297 4.297 4.243 0.054 25010 27 1 . 1 1 457 457 THR CA C 457 62.783 62.783 63.507 -0.724 25010 28 1 . 1 1 457 457 THR CB C 457 67.927 67.927 69.550 -1.623 25010 29 1 . 1 1 457 457 THR H H 457 8.671 8.671 8.681 -0.010 25010 30 1 . 1 1 458 458 ARG N N 458 122.706 122.706 121.605 1.101 25010 31 1 . 1 1 458 458 ARG HA H 458 4.931 4.931 4.889 0.042 25010 32 1 . 1 1 458 458 ARG CA C 458 53.816 53.816 52.528 1.288 25010 33 1 . 1 1 458 458 ARG CB C 458 32.443 32.443 31.073 1.370 25010 34 1 . 1 1 458 458 ARG H H 458 7.576 7.576 7.613 -0.037 25010 35 1 . 1 1 459 459 PRO HA H 459 4.315 4.315 4.488 -0.173 25010 36 1 . 1 1 459 459 PRO CA C 459 62.763 62.763 62.477 0.286 25010 37 1 . 1 1 459 459 PRO CB C 459 32.644 32.644 32.469 0.174 25010 38 1 . 1 1 460 460 LEU N N 460 115.406 115.406 120.666 -5.260 25010 39 1 . 1 1 460 460 LEU HA H 460 4.575 4.575 4.457 0.118 25010 40 1 . 1 1 460 460 LEU CA C 460 55.114 55.114 53.940 1.174 25010 41 1 . 1 1 460 460 LEU CB C 460 45.383 45.383 42.558 2.825 25010 42 1 . 1 1 460 460 LEU H H 460 6.134 6.134 8.130 -1.997 25010 43 1 . 1 1 461 461 GLU N N 461 120.629 120.629 120.516 0.113 25010 44 1 . 1 1 461 461 GLU HA H 461 4.826 4.826 4.250 0.576 25010 45 1 . 1 1 461 461 GLU CA C 461 54.846 54.846 56.813 -1.967 25010 46 1 . 1 1 461 461 GLU CB C 461 32.513 32.513 29.721 2.792 25010 47 1 . 1 1 461 461 GLU H H 461 8.409 8.409 8.522 -0.113 25010 48 1 . 1 1 462 462 ASP N N 462 122.487 122.487 122.513 -0.026 25010 49 1 . 1 1 462 462 ASP HA H 462 5.043 5.043 4.505 0.538 25010 50 1 . 1 1 462 462 ASP CA C 462 55.551 55.551 54.512 1.039 25010 51 1 . 1 1 462 462 ASP CB C 462 41.180 41.180 41.304 -0.124 25010 52 1 . 1 1 462 462 ASP H H 462 8.603 8.603 8.578 0.025 25010 53 1 . 1 1 463 463 GLN N N 463 117.119 117.119 119.730 -2.611 25010 54 1 . 1 1 463 463 GLN HA H 463 4.687 4.687 4.334 0.353 25010 55 1 . 1 1 463 463 GLN CA C 463 54.383 54.383 55.210 -0.827 25010 56 1 . 1 1 463 463 GLN CB C 463 33.212 33.212 29.733 3.479 25010 57 1 . 1 1 463 463 GLN H H 463 8.785 8.785 7.754 1.031 25010 58 1 . 1 1 464 464 LEU N N 464 127.523 127.523 123.839 3.684 25010 59 1 . 1 1 464 464 LEU HA H 464 5.337 5.337 4.692 0.645 25010 60 1 . 1 1 464 464 LEU CA C 464 54.511 54.511 54.562 -0.051 25010 61 1 . 1 1 464 464 LEU CB C 464 44.048 44.048 43.222 0.826 25010 62 1 . 1 1 464 464 LEU H H 464 8.420 8.420 8.348 0.072 25010 63 1 . 1 1 465 465 VAL N N 465 119.244 119.244 121.454 -2.210 25010 64 1 . 1 1 465 465 VAL HA H 465 4.796 4.796 4.660 0.136 25010 65 1 . 1 1 465 465 VAL CA C 465 58.546 58.546 59.741 -1.195 25010 66 1 . 1 1 465 465 VAL CB C 465 36.136 36.136 35.876 0.260 25010 67 1 . 1 1 465 465 VAL H H 465 8.730 8.730 8.800 -0.070 25010 68 1 . 1 1 466 466 MET N N 466 119.234 119.234 117.551 1.683 25010 69 1 . 1 1 466 466 MET HA H 466 5.269 5.269 5.216 0.053 25010 70 1 . 1 1 466 466 MET CA C 466 52.842 52.842 54.036 -1.194 25010 71 1 . 1 1 466 466 MET CB C 466 33.563 33.563 35.374 -1.811 25010 72 1 . 1 1 466 466 MET H H 466 8.099 8.099 8.229 -0.130 25010 73 1 . 1 1 467 467 VAL N N 467 119.519 119.519 120.787 -1.268 25010 74 1 . 1 1 467 467 VAL HA H 467 3.457 3.457 3.809 -0.352 25010 75 1 . 1 1 467 467 VAL CA C 467 64.434 64.434 63.894 0.540 25010 76 1 . 1 1 467 467 VAL CB C 467 32.220 32.220 31.619 0.601 25010 77 1 . 1 1 467 467 VAL H H 467 7.917 7.917 8.297 -0.380 25010 78 1 . 1 1 468 468 GLY N N 468 115.365 115.365 114.214 1.151 25010 79 1 . 1 1 468 468 GLY CA C 468 44.814 44.814 44.784 0.030 25010 80 1 . 1 1 468 468 GLY H H 468 9.845 9.845 8.702 1.143 25010 81 1 . 1 1 469 469 GLN N N 469 120.329 120.329 119.090 1.239 25010 82 1 . 1 1 469 469 GLN HA H 469 4.433 4.433 4.490 -0.057 25010 83 1 . 1 1 469 469 GLN CA C 469 55.841 55.841 54.328 1.513 25010 84 1 . 1 1 469 469 GLN CB C 469 30.198 30.198 30.572 -0.374 25010 85 1 . 1 1 469 469 GLN H H 469 7.984 7.984 7.485 0.499 25010 86 1 . 1 1 470 470 ARG N N 470 122.940 122.940 123.200 -0.260 25010 87 1 . 1 1 470 470 ARG HA H 470 4.603 4.603 4.678 -0.075 25010 88 1 . 1 1 470 470 ARG CA C 470 55.873 55.873 56.195 -0.322 25010 89 1 . 1 1 470 470 ARG CB C 470 31.614 31.614 30.874 0.740 25010 90 1 . 1 1 470 470 ARG H H 470 8.138 8.138 8.551 -0.413 25010 91 1 . 1 1 471 471 VAL N N 471 127.100 127.100 126.050 1.050 25010 92 1 . 1 1 471 471 VAL HA H 471 4.135 4.135 4.219 -0.084 25010 93 1 . 1 1 471 471 VAL CA C 471 60.424 60.424 60.851 -0.427 25010 94 1 . 1 1 471 471 VAL CB C 471 34.725 34.725 34.513 0.212 25010 95 1 . 1 1 471 471 VAL H H 471 8.869 8.869 8.409 0.459 25010 96 1 . 1 1 472 472 GLU N N 472 126.220 126.220 125.122 1.098 25010 97 1 . 1 1 472 472 GLU HA H 472 5.096 5.096 4.645 0.451 25010 98 1 . 1 1 472 472 GLU CA C 472 54.644 54.644 54.693 -0.049 25010 99 1 . 1 1 472 472 GLU CB C 472 32.890 32.890 32.191 0.699 25010 100 1 . 1 1 472 472 GLU H H 472 8.601 8.601 8.359 0.242 25010 101 1 . 1 1 473 473 PHE N N 473 125.641 125.641 124.209 1.432 25010 102 1 . 1 1 473 473 PHE HA H 473 4.747 4.747 4.775 -0.028 25010 103 1 . 1 1 473 473 PHE CA C 473 57.513 57.513 56.554 0.959 25010 104 1 . 1 1 473 473 PHE CB C 473 41.975 41.975 40.513 1.462 25010 105 1 . 1 1 473 473 PHE H H 473 9.275 9.275 9.005 0.270 25010 106 1 . 1 1 474 474 GLU N N 474 120.663 120.663 124.604 -3.941 25010 107 1 . 1 1 474 474 GLU HA H 474 5.369 5.369 4.627 0.742 25010 108 1 . 1 1 474 474 GLU CA C 474 54.976 54.976 55.344 -0.368 25010 109 1 . 1 1 474 474 GLU CB C 474 32.849 32.849 31.319 1.530 25010 110 1 . 1 1 474 474 GLU H H 474 8.452 8.452 8.893 -0.441 25010 111 1 . 1 1 475 475 CYS N N 475 121.477 121.477 122.918 -1.441 25010 112 1 . 1 1 475 475 CYS HA H 475 4.818 4.818 5.001 -0.183 25010 113 1 . 1 1 475 475 CYS CA C 475 56.706 56.706 57.099 -0.393 25010 114 1 . 1 1 475 475 CYS CB C 475 30.937 30.937 30.354 0.583 25010 115 1 . 1 1 475 475 CYS H H 475 9.015 9.015 8.719 0.296 25010 116 1 . 1 1 476 476 GLU N N 476 123.383 123.383 125.051 -1.668 25010 117 1 . 1 1 476 476 GLU HA H 476 5.522 5.522 4.944 0.578 25010 118 1 . 1 1 476 476 GLU CA C 476 55.076 55.076 54.419 0.657 25010 119 1 . 1 1 476 476 GLU CB C 476 33.796 33.796 32.522 1.274 25010 120 1 . 1 1 476 476 GLU H H 476 8.574 8.574 8.376 0.198 25010 121 1 . 1 1 477 477 VAL N N 477 116.481 116.481 116.731 -0.250 25010 122 1 . 1 1 477 477 VAL HA H 477 5.430 5.430 4.891 0.539 25010 123 1 . 1 1 477 477 VAL CA C 477 58.827 58.827 59.475 -0.648 25010 124 1 . 1 1 477 477 VAL CB C 477 34.087 34.087 33.843 0.244 25010 125 1 . 1 1 477 477 VAL H H 477 8.739 8.739 8.257 0.482 25010 126 1 . 1 1 478 478 SER N N 478 111.234 111.234 115.766 -4.532 25010 127 1 . 1 1 478 478 SER HA H 478 4.072 4.072 4.400 -0.328 25010 128 1 . 1 1 478 478 SER CA C 478 60.984 60.984 59.912 1.072 25010 129 1 . 1 1 478 478 SER CB C 478 63.568 63.568 63.875 -0.307 25010 130 1 . 1 1 478 478 SER H H 478 8.779 8.779 8.490 0.289 25010 131 1 . 1 1 479 479 GLU N N 479 116.983 116.983 120.587 -3.604 25010 132 1 . 1 1 479 479 GLU HA H 479 4.872 4.872 4.482 0.390 25010 133 1 . 1 1 479 479 GLU CA C 479 54.615 54.615 55.077 -0.462 25010 134 1 . 1 1 479 479 GLU CB C 479 33.654 33.654 31.664 1.990 25010 135 1 . 1 1 479 479 GLU H H 479 6.800 6.800 8.003 -1.203 25010 136 1 . 1 1 480 480 GLU N N 480 124.422 124.422 126.089 -1.667 25010 137 1 . 1 1 480 480 GLU HA H 480 4.405 4.405 4.244 0.162 25010 138 1 . 1 1 480 480 GLU CA C 480 57.861 57.861 56.927 0.934 25010 139 1 . 1 1 480 480 GLU CB C 480 29.787 29.787 29.984 -0.197 25010 140 1 . 1 1 480 480 GLU H H 480 9.243 9.243 8.755 0.488 25010 141 1 . 1 1 481 481 GLY CA C 481 45.916 45.916 45.154 0.762 25010 142 1 . 1 1 482 482 ALA N N 482 121.277 121.277 123.716 -2.439 25010 143 1 . 1 1 482 482 ALA HA H 482 4.513 4.513 4.452 0.061 25010 144 1 . 1 1 482 482 ALA CA C 482 52.243 52.243 51.720 0.523 25010 145 1 . 1 1 482 482 ALA CB C 482 20.653 20.653 19.643 1.010 25010 146 1 . 1 1 482 482 ALA H H 482 7.449 7.449 7.636 -0.187 25010 147 1 . 1 1 483 483 GLN N N 483 121.318 121.318 123.296 -1.978 25010 148 1 . 1 1 483 483 GLN HA H 483 4.481 4.481 4.485 -0.004 25010 149 1 . 1 1 483 483 GLN CA C 483 55.471 55.471 55.205 0.266 25010 150 1 . 1 1 483 483 GLN CB C 483 28.077 28.077 30.361 -2.284 25010 151 1 . 1 1 483 483 GLN H H 483 8.541 8.541 8.570 -0.029 25010 152 1 . 1 1 484 484 VAL N N 484 118.395 118.395 114.957 3.438 25010 153 1 . 1 1 484 484 VAL HA H 484 4.919 4.919 4.658 0.261 25010 154 1 . 1 1 484 484 VAL CA C 484 58.491 58.491 59.185 -0.694 25010 155 1 . 1 1 484 484 VAL CB C 484 34.518 34.518 34.272 0.246 25010 156 1 . 1 1 484 484 VAL H H 484 8.283 8.283 7.894 0.389 25010 157 1 . 1 1 485 485 LYS N N 485 119.957 119.957 123.516 -3.559 25010 158 1 . 1 1 485 485 LYS HA H 485 4.594 4.594 4.581 0.013 25010 159 1 . 1 1 485 485 LYS CA C 485 55.038 55.038 54.584 0.454 25010 160 1 . 1 1 485 485 LYS CB C 485 36.678 36.678 35.943 0.735 25010 161 1 . 1 1 485 485 LYS H H 485 8.039 8.039 8.386 -0.347 25010 162 1 . 1 1 486 486 TRP N N 486 123.677 123.677 124.919 -1.242 25010 163 1 . 1 1 486 486 TRP HA H 486 5.608 5.608 4.869 0.739 25010 164 1 . 1 1 486 486 TRP CA C 486 55.766 55.766 56.323 -0.557 25010 165 1 . 1 1 486 486 TRP CB C 486 32.033 32.033 30.717 1.316 25010 166 1 . 1 1 486 486 TRP H H 486 8.767 8.767 8.635 0.132 25010 167 1 . 1 1 487 487 LEU N N 487 121.292 121.292 125.135 -3.843 25010 168 1 . 1 1 487 487 LEU HA H 487 5.199 5.199 4.905 0.294 25010 169 1 . 1 1 487 487 LEU CA C 487 53.645 53.645 53.861 -0.216 25010 170 1 . 1 1 487 487 LEU CB C 487 46.241 46.241 45.887 0.354 25010 171 1 . 1 1 487 487 LEU H H 487 9.599 9.599 9.316 0.283 25010 172 1 . 1 1 488 488 LYS N N 488 119.097 119.097 127.604 -8.507 25010 173 1 . 1 1 488 488 LYS HA H 488 4.448 4.448 4.506 -0.058 25010 174 1 . 1 1 488 488 LYS CA C 488 55.221 55.221 54.879 0.342 25010 175 1 . 1 1 488 488 LYS CB C 488 35.636 35.636 33.305 2.331 25010 176 1 . 1 1 488 488 LYS H H 488 8.702 8.702 9.089 -0.387 25010 177 1 . 1 1 489 489 ASP N N 489 130.255 130.255 128.193 2.062 25010 178 1 . 1 1 489 489 ASP HA H 489 4.377 4.377 4.275 0.102 25010 179 1 . 1 1 489 489 ASP CA C 489 55.843 55.843 55.503 0.340 25010 180 1 . 1 1 489 489 ASP CB C 489 40.211 40.211 39.957 0.254 25010 181 1 . 1 1 489 489 ASP H H 489 9.895 9.895 9.099 0.796 25010 182 1 . 1 1 490 490 GLY N N 490 101.682 101.682 103.504 -1.822 25010 183 1 . 1 1 490 490 GLY CA C 490 45.394 45.394 45.032 0.362 25010 184 1 . 1 1 490 490 GLY H H 490 8.673 8.673 8.584 0.089 25010 185 1 . 1 1 491 491 VAL N N 491 123.371 123.371 123.509 -0.138 25010 186 1 . 1 1 491 491 VAL HA H 491 4.197 4.197 4.123 0.074 25010 187 1 . 1 1 491 491 VAL CA C 491 61.597 61.597 61.596 0.001 25010 188 1 . 1 1 491 491 VAL CB C 491 33.598 33.598 32.730 0.868 25010 189 1 . 1 1 491 491 VAL H H 491 7.954 7.954 7.895 0.059 25010 190 1 . 1 1 492 492 GLU N N 492 127.934 127.934 127.948 -0.014 25010 191 1 . 1 1 492 492 GLU HA H 492 4.410 4.410 4.438 -0.028 25010 192 1 . 1 1 492 492 GLU CA C 492 57.649 57.649 55.812 1.836 25010 193 1 . 1 1 492 492 GLU CB C 492 29.242 29.242 30.544 -1.302 25010 194 1 . 1 1 492 492 GLU H H 492 8.781 8.781 8.622 0.159 25010 195 1 . 1 1 493 493 LEU N N 493 127.787 127.787 126.842 0.945 25010 196 1 . 1 1 493 493 LEU HA H 493 4.591 4.591 4.609 -0.018 25010 197 1 . 1 1 493 493 LEU CA C 493 54.628 54.628 54.635 -0.007 25010 198 1 . 1 1 493 493 LEU CB C 493 41.823 41.823 42.653 -0.830 25010 199 1 . 1 1 493 493 LEU H H 493 8.934 8.934 8.097 0.837 25010 200 1 . 1 1 494 494 THR N N 494 114.564 114.564 113.952 0.612 25010 201 1 . 1 1 494 494 THR HA H 494 4.238 4.238 4.598 -0.360 25010 202 1 . 1 1 494 494 THR CA C 494 61.209 61.209 60.952 0.257 25010 203 1 . 1 1 494 494 THR CB C 494 70.420 70.420 70.384 0.036 25010 204 1 . 1 1 494 494 THR H H 494 8.338 8.338 8.531 -0.193 25010 205 1 . 1 1 495 495 ARG N N 495 121.286 121.286 122.564 -1.278 25010 206 1 . 1 1 495 495 ARG HA H 495 4.421 4.421 4.407 0.014 25010 207 1 . 1 1 495 495 ARG CA C 495 56.805 56.805 57.521 -0.715 25010 208 1 . 1 1 495 495 ARG CB C 495 30.014 30.014 30.059 -0.045 25010 209 1 . 1 1 495 495 ARG H H 495 8.580 8.580 8.737 -0.157 25010 210 1 . 1 1 496 496 GLU N N 496 120.070 120.070 119.477 0.593 25010 211 1 . 1 1 496 496 GLU HA H 496 4.341 4.341 4.373 -0.031 25010 212 1 . 1 1 496 496 GLU CA C 496 57.093 57.093 55.757 1.336 25010 213 1 . 1 1 496 496 GLU CB C 496 29.927 29.927 29.019 0.908 25010 214 1 . 1 1 496 496 GLU H H 496 8.304 8.304 8.141 0.163 25010 215 1 . 1 1 497 497 GLU N N 497 120.611 120.611 121.002 -0.391 25010 216 1 . 1 1 497 497 GLU HA H 497 4.390 4.390 4.417 -0.027 25010 217 1 . 1 1 497 497 GLU CA C 497 56.781 56.781 55.920 0.861 25010 218 1 . 1 1 497 497 GLU CB C 497 29.722 29.722 30.800 -1.078 25010 219 1 . 1 1 497 497 GLU H H 497 8.181 8.181 7.915 0.266 25010 220 1 . 1 1 498 498 THR N N 498 113.761 113.761 115.787 -2.026 25010 221 1 . 1 1 498 498 THR HA H 498 4.519 4.519 4.193 0.326 25010 222 1 . 1 1 498 498 THR CA C 498 61.768 61.768 61.801 -0.033 25010 223 1 . 1 1 498 498 THR CB C 498 69.893 69.893 69.481 0.412 25010 224 1 . 1 1 498 498 THR H H 498 8.077 8.077 8.194 -0.117 25010 225 1 . 1 1 499 499 PHE N N 499 119.315 119.315 120.750 -1.435 25010 226 1 . 1 1 499 499 PHE HA H 499 4.571 4.571 4.525 0.046 25010 227 1 . 1 1 499 499 PHE CA C 499 58.469 58.469 57.786 0.683 25010 228 1 . 1 1 499 499 PHE CB C 499 38.648 38.648 38.294 0.354 25010 229 1 . 1 1 499 499 PHE H H 499 8.089 8.089 8.280 -0.191 25010 230 1 . 1 1 500 500 LYS N N 500 120.851 120.851 120.487 0.364 25010 231 1 . 1 1 500 500 LYS HA H 500 4.146 4.146 4.129 0.016 25010 232 1 . 1 1 500 500 LYS CA C 500 57.814 57.814 58.333 -0.519 25010 233 1 . 1 1 500 500 LYS CB C 500 33.603 33.603 33.209 0.394 25010 234 1 . 1 1 500 500 LYS H H 500 8.100 8.100 7.845 0.255 25010 235 1 . 1 1 501 501 TYR N N 501 114.551 114.551 113.378 1.173 25010 236 1 . 1 1 501 501 TYR HA H 501 4.782 4.782 5.436 -0.654 25010 237 1 . 1 1 501 501 TYR CA C 501 55.002 55.002 54.956 0.045 25010 238 1 . 1 1 501 501 TYR CB C 501 41.643 41.643 40.870 0.772 25010 239 1 . 1 1 501 501 TYR H H 501 7.259 7.259 7.405 -0.146 25010 240 1 . 1 1 502 502 TRP N N 502 119.304 119.304 121.684 -2.380 25010 241 1 . 1 1 502 502 TRP HA H 502 5.351 5.351 5.028 0.323 25010 242 1 . 1 1 502 502 TRP CA C 502 55.377 55.377 55.401 -0.024 25010 243 1 . 1 1 502 502 TRP CB C 502 30.599 30.599 31.821 -1.222 25010 244 1 . 1 1 502 502 TRP H H 502 8.399 8.399 8.796 -0.397 25010 245 1 . 1 1 503 503 PHE N N 503 119.216 119.216 117.160 2.056 25010 246 1 . 1 1 503 503 PHE HA H 503 5.382 5.382 5.647 -0.265 25010 247 1 . 1 1 503 503 PHE CA C 503 54.961 54.961 55.335 -0.374 25010 248 1 . 1 1 503 503 PHE CB C 503 41.607 41.607 42.196 -0.589 25010 249 1 . 1 1 503 503 PHE H H 503 8.840 8.840 8.072 0.768 25010 250 1 . 1 1 504 504 LYS N N 504 120.145 120.145 121.982 -1.837 25010 251 1 . 1 1 504 504 LYS HA H 504 4.887 4.887 4.814 0.073 25010 252 1 . 1 1 504 504 LYS CA C 504 55.586 55.586 54.803 0.783 25010 253 1 . 1 1 504 504 LYS CB C 504 36.415 36.415 35.896 0.519 25010 254 1 . 1 1 504 504 LYS H H 504 8.870 8.870 9.193 -0.323 25010 255 1 . 1 1 505 505 LYS N N 505 126.170 126.170 124.374 1.796 25010 256 1 . 1 1 505 505 LYS HA H 505 4.901 4.901 4.876 0.025 25010 257 1 . 1 1 505 505 LYS CA C 505 55.352 55.352 55.260 0.092 25010 258 1 . 1 1 505 505 LYS CB C 505 34.907 34.907 34.036 0.871 25010 259 1 . 1 1 505 505 LYS H H 505 8.838 8.838 8.697 0.141 25010 260 1 . 1 1 506 506 ASP N N 506 125.883 125.883 126.915 -1.032 25010 261 1 . 1 1 506 506 ASP HA H 506 4.839 4.839 4.817 0.022 25010 262 1 . 1 1 506 506 ASP CA C 506 52.564 52.564 53.623 -1.059 25010 263 1 . 1 1 506 506 ASP CB C 506 41.961 41.961 41.373 0.588 25010 264 1 . 1 1 506 506 ASP H H 506 8.947 8.947 8.600 0.347 25010 265 1 . 1 1 507 507 GLY N N 507 114.432 114.432 113.441 0.991 25010 266 1 . 1 1 507 507 GLY CA C 507 47.615 47.615 46.857 0.758 25010 267 1 . 1 1 507 507 GLY H H 507 9.004 9.004 8.452 0.552 25010 268 1 . 1 1 508 508 GLN N N 508 128.557 128.557 123.536 5.021 25010 269 1 . 1 1 508 508 GLN HA H 508 4.119 4.119 4.288 -0.169 25010 270 1 . 1 1 508 508 GLN CA C 508 57.237 57.237 56.003 1.234 25010 271 1 . 1 1 508 508 GLN CB C 508 29.867 29.867 29.678 0.189 25010 272 1 . 1 1 508 508 GLN H H 508 9.448 9.448 8.343 1.105 25010 273 1 . 1 1 509 509 ARG N N 509 120.332 120.332 120.128 0.204 25010 274 1 . 1 1 509 509 ARG HA H 509 4.986 4.986 4.576 0.410 25010 275 1 . 1 1 509 509 ARG CA C 509 56.146 56.146 55.517 0.628 25010 276 1 . 1 1 509 509 ARG CB C 509 32.012 32.012 32.288 -0.276 25010 277 1 . 1 1 509 509 ARG H H 509 8.215 8.215 7.778 0.437 25010 278 1 . 1 1 510 510 HIS N N 510 122.773 122.773 122.076 0.697 25010 279 1 . 1 1 510 510 HIS HA H 510 5.136 5.136 5.664 -0.528 25010 280 1 . 1 1 510 510 HIS CA C 510 56.449 56.449 54.938 1.512 25010 281 1 . 1 1 510 510 HIS CB C 510 35.290 35.290 32.669 2.621 25010 282 1 . 1 1 510 510 HIS H H 510 8.786 8.786 9.016 -0.230 25010 283 1 . 1 1 511 511 HIS N N 511 119.128 119.128 122.873 -3.745 25010 284 1 . 1 1 511 511 HIS HA H 511 6.075 6.075 5.303 0.772 25010 285 1 . 1 1 511 511 HIS CA C 511 53.818 53.818 54.970 -1.152 25010 286 1 . 1 1 511 511 HIS CB C 511 33.422 33.422 32.603 0.819 25010 287 1 . 1 1 511 511 HIS H H 511 9.269 9.269 9.340 -0.071 25010 288 1 . 1 1 512 512 LEU N N 512 125.504 125.504 127.633 -2.129 25010 289 1 . 1 1 512 512 LEU HA H 512 4.384 4.384 4.859 -0.475 25010 290 1 . 1 1 512 512 LEU CA C 512 54.196 54.196 53.639 0.557 25010 291 1 . 1 1 512 512 LEU CB C 512 42.275 42.275 43.769 -1.494 25010 292 1 . 1 1 512 512 LEU H H 512 8.345 8.345 9.137 -0.792 25010 293 1 . 1 1 513 513 ILE N N 513 127.867 127.867 128.373 -0.506 25010 294 1 . 1 1 513 513 ILE HA H 513 4.907 4.907 4.242 0.665 25010 295 1 . 1 1 513 513 ILE CA C 513 59.524 59.524 60.271 -0.747 25010 296 1 . 1 1 513 513 ILE CB C 513 40.044 40.044 38.656 1.388 25010 297 1 . 1 1 513 513 ILE H H 513 8.776 8.776 9.075 -0.299 25010 298 1 . 1 1 514 514 ILE N N 514 125.882 125.882 128.884 -3.002 25010 299 1 . 1 1 514 514 ILE HA H 514 4.354 4.354 4.395 -0.041 25010 300 1 . 1 1 514 514 ILE CA C 514 60.058 60.058 60.955 -0.897 25010 301 1 . 1 1 514 514 ILE CB C 514 39.802 39.802 37.901 1.900 25010 302 1 . 1 1 514 514 ILE H H 514 8.777 8.777 8.649 0.128 25010 303 1 . 1 1 515 515 ASN N N 515 124.270 124.270 126.078 -1.808 25010 304 1 . 1 1 515 515 ASN HA H 515 4.277 4.277 4.571 -0.293 25010 305 1 . 1 1 515 515 ASN CA C 515 57.166 57.166 55.983 1.183 25010 306 1 . 1 1 515 515 ASN CB C 515 38.944 38.944 39.260 -0.316 25010 307 1 . 1 1 515 515 ASN H H 515 8.068 8.068 8.778 -0.710 25010 308 1 . 1 1 516 516 GLU N N 516 117.624 117.624 117.990 -0.366 25010 309 1 . 1 1 516 516 GLU HA H 516 3.841 3.841 4.588 -0.747 25010 310 1 . 1 1 516 516 GLU CA C 516 55.032 55.032 55.299 -0.267 25010 311 1 . 1 1 516 516 GLU CB C 516 31.030 31.030 32.092 -1.062 25010 312 1 . 1 1 516 516 GLU H H 516 8.320 8.320 7.665 0.655 25010 313 1 . 1 1 517 517 ALA N N 517 125.884 125.884 129.194 -3.310 25010 314 1 . 1 1 517 517 ALA HA H 517 4.186 4.186 4.334 -0.148 25010 315 1 . 1 1 517 517 ALA CA C 517 53.726 53.726 52.992 0.734 25010 316 1 . 1 1 517 517 ALA CB C 517 18.902 18.902 19.869 -0.966 25010 317 1 . 1 1 517 517 ALA H H 517 8.735 8.735 8.878 -0.143 25010 318 1 . 1 1 518 518 MET N N 518 123.090 123.090 121.989 1.102 25010 319 1 . 1 1 518 518 MET HA H 518 4.888 4.888 4.771 0.117 25010 320 1 . 1 1 518 518 MET CA C 518 53.006 53.006 53.440 -0.434 25010 321 1 . 1 1 518 518 MET CB C 518 36.535 36.535 35.810 0.725 25010 322 1 . 1 1 518 518 MET H H 518 9.831 9.831 9.074 0.757 25010 323 1 . 1 1 519 519 LEU N N 519 123.171 123.171 123.218 -0.047 25010 324 1 . 1 1 519 519 LEU HA H 519 3.846 3.846 4.084 -0.238 25010 325 1 . 1 1 519 519 LEU CA C 519 59.407 59.407 58.213 1.194 25010 326 1 . 1 1 519 519 LEU CB C 519 40.967 40.967 40.747 0.220 25010 327 1 . 1 1 519 519 LEU H H 519 9.108 9.108 8.705 0.403 25010 328 1 . 1 1 520 520 GLU N N 520 115.409 115.409 118.695 -3.286 25010 329 1 . 1 1 520 520 GLU HA H 520 4.257 4.257 4.046 0.211 25010 330 1 . 1 1 520 520 GLU CA C 520 58.537 58.537 59.107 -0.570 25010 331 1 . 1 1 520 520 GLU CB C 520 28.123 28.123 28.801 -0.679 25010 332 1 . 1 1 520 520 GLU H H 520 9.118 9.118 8.777 0.341 25010 333 1 . 1 1 521 521 ASP N N 521 117.154 117.154 118.570 -1.416 25010 334 1 . 1 1 521 521 ASP HA H 521 4.692 4.692 4.600 0.092 25010 335 1 . 1 1 521 521 ASP CA C 521 56.134 56.134 55.597 0.537 25010 336 1 . 1 1 521 521 ASP CB C 521 41.053 41.053 40.791 0.262 25010 337 1 . 1 1 521 521 ASP H H 521 8.114 8.114 7.951 0.163 25010 338 1 . 1 1 522 522 ALA N N 522 123.368 123.368 120.884 2.484 25010 339 1 . 1 1 522 522 ALA HA H 522 4.159 4.159 4.465 -0.306 25010 340 1 . 1 1 522 522 ALA CA C 522 53.689 53.689 52.633 1.056 25010 341 1 . 1 1 522 522 ALA CB C 522 19.915 19.915 18.996 0.919 25010 342 1 . 1 1 522 522 ALA H H 522 7.572 7.572 7.273 0.299 25010 343 1 . 1 1 523 523 GLY N N 523 107.946 107.946 105.905 2.041 25010 344 1 . 1 1 523 523 GLY CA C 523 45.093 45.093 44.043 1.050 25010 345 1 . 1 1 523 523 GLY H H 523 8.509 8.509 7.308 1.201 25010 346 1 . 1 1 524 524 HIS N N 524 119.840 119.840 120.545 -0.705 25010 347 1 . 1 1 524 524 HIS HA H 524 5.290 5.290 4.453 0.837 25010 348 1 . 1 1 524 524 HIS CA C 524 56.034 56.034 55.773 0.261 25010 349 1 . 1 1 524 524 HIS CB C 524 30.145 30.145 29.471 0.674 25010 350 1 . 1 1 524 524 HIS H H 524 9.142 9.142 8.545 0.597 25010 351 1 . 1 1 525 525 TYR N N 525 127.518 127.518 124.386 3.132 25010 352 1 . 1 1 525 525 TYR HA H 525 5.218 5.218 4.933 0.284 25010 353 1 . 1 1 525 525 TYR CA C 525 57.358 57.358 58.192 -0.834 25010 354 1 . 1 1 525 525 TYR CB C 525 40.926 40.926 39.628 1.298 25010 355 1 . 1 1 525 525 TYR H H 525 9.590 9.590 8.475 1.115 25010 356 1 . 1 1 526 526 ALA N N 526 121.840 121.840 125.495 -3.655 25010 357 1 . 1 1 526 526 ALA HA H 526 5.608 5.608 5.219 0.389 25010 358 1 . 1 1 526 526 ALA CA C 526 49.627 49.627 50.066 -0.439 25010 359 1 . 1 1 526 526 ALA CB C 526 24.176 24.176 22.616 1.560 25010 360 1 . 1 1 526 526 ALA H H 526 9.116 9.116 9.349 -0.233 25010 361 1 . 1 1 527 527 LEU N N 527 121.819 121.819 124.189 -2.370 25010 362 1 . 1 1 527 527 LEU HA H 527 4.564 4.564 5.077 -0.513 25010 363 1 . 1 1 527 527 LEU CA C 527 53.112 53.112 53.047 0.065 25010 364 1 . 1 1 527 527 LEU CB C 527 42.995 42.995 44.748 -1.753 25010 365 1 . 1 1 527 527 LEU H H 527 8.177 8.177 8.994 -0.817 25010 366 1 . 1 1 528 528 CYS N N 528 122.918 122.918 127.733 -4.815 25010 367 1 . 1 1 528 528 CYS HA H 528 4.995 4.995 4.780 0.215 25010 368 1 . 1 1 528 528 CYS CA C 528 57.302 57.302 57.160 0.143 25010 369 1 . 1 1 528 528 CYS CB C 528 29.928 29.928 28.131 1.797 25010 370 1 . 1 1 528 528 CYS H H 528 8.991 8.991 8.872 0.119 25010 371 1 . 1 1 529 529 THR N N 529 116.311 116.311 119.987 -3.676 25010 372 1 . 1 1 529 529 THR HA H 529 4.717 4.717 4.801 -0.084 25010 373 1 . 1 1 529 529 THR CA C 529 59.605 59.605 60.135 -0.530 25010 374 1 . 1 1 529 529 THR CB C 529 71.228 71.228 70.950 0.278 25010 375 1 . 1 1 529 529 THR H H 529 8.688 8.688 8.398 0.291 25010 376 1 . 1 1 530 530 SER N N 530 115.043 115.043 116.578 -1.535 25010 377 1 . 1 1 530 530 SER HA H 530 4.284 4.284 4.325 -0.042 25010 378 1 . 1 1 530 530 SER CA C 530 59.975 59.975 60.272 -0.297 25010 379 1 . 1 1 530 530 SER CB C 530 62.698 62.698 63.313 -0.615 25010 380 1 . 1 1 530 530 SER H H 530 9.371 9.371 8.734 0.637 25010 381 1 . 1 1 531 531 GLY N N 531 108.631 108.631 108.582 0.049 25010 382 1 . 1 1 531 531 GLY CA C 531 45.295 45.295 44.778 0.517 25010 383 1 . 1 1 531 531 GLY H H 531 8.173 8.173 7.646 0.527 25010 384 1 . 1 1 532 532 GLY N N 532 109.029 109.029 108.441 0.589 25010 385 1 . 1 1 532 532 GLY CA C 532 45.389 45.389 44.135 1.254 25010 386 1 . 1 1 532 532 GLY H H 532 7.540 7.540 7.943 -0.403 25010 387 1 . 1 1 533 533 GLN N N 533 116.724 116.724 119.165 -2.441 25010 388 1 . 1 1 533 533 GLN HA H 533 5.357 5.357 4.936 0.421 25010 389 1 . 1 1 533 533 GLN CA C 533 54.682 54.682 54.536 0.146 25010 390 1 . 1 1 533 533 GLN CB C 533 32.353 32.353 31.555 0.799 25010 391 1 . 1 1 533 533 GLN H H 533 8.309 8.309 8.288 0.021 25010 392 1 . 1 1 534 534 ALA N N 534 126.868 126.868 127.967 -1.099 25010 393 1 . 1 1 534 534 ALA HA H 534 4.870 4.870 4.785 0.085 25010 394 1 . 1 1 534 534 ALA CA C 534 50.764 50.764 50.792 -0.028 25010 395 1 . 1 1 534 534 ALA CB C 534 22.046 22.046 20.890 1.156 25010 396 1 . 1 1 534 534 ALA H H 534 8.876 8.876 8.857 0.020 25010 397 1 . 1 1 535 535 LEU N N 535 122.735 122.735 124.539 -1.804 25010 398 1 . 1 1 535 535 LEU HA H 535 5.401 5.401 5.089 0.312 25010 399 1 . 1 1 535 535 LEU CA C 535 54.530 54.530 54.193 0.337 25010 400 1 . 1 1 535 535 LEU CB C 535 46.423 46.423 44.981 1.442 25010 401 1 . 1 1 535 535 LEU H H 535 8.445 8.445 8.569 -0.125 25010 402 1 . 1 1 536 536 ALA N N 536 125.503 125.503 129.042 -3.539 25010 403 1 . 1 1 536 536 ALA HA H 536 4.758 4.758 4.800 -0.042 25010 404 1 . 1 1 536 536 ALA CA C 536 51.975 51.975 51.348 0.627 25010 405 1 . 1 1 536 536 ALA CB C 536 24.534 24.534 22.119 2.415 25010 406 1 . 1 1 536 536 ALA H H 536 9.375 9.375 8.818 0.557 25010 407 1 . 1 1 537 537 GLU N N 537 121.939 121.939 121.682 0.257 25010 408 1 . 1 1 537 537 GLU HA H 537 4.942 4.942 4.279 0.663 25010 409 1 . 1 1 537 537 GLU CA C 537 55.059 55.059 54.947 0.112 25010 410 1 . 1 1 537 537 GLU CB C 537 31.991 31.991 30.226 1.766 25010 411 1 . 1 1 537 537 GLU H H 537 9.320 9.320 8.415 0.905 25010 412 1 . 1 1 538 538 LEU N N 538 125.030 125.030 126.698 -1.668 25010 413 1 . 1 1 538 538 LEU HA H 538 5.372 5.372 4.713 0.659 25010 414 1 . 1 1 538 538 LEU CA C 538 53.663 53.663 54.199 -0.536 25010 415 1 . 1 1 538 538 LEU CB C 538 45.180 45.180 44.135 1.045 25010 416 1 . 1 1 538 538 LEU H H 538 9.306 9.306 8.258 1.048 25010 417 1 . 1 1 539 539 ILE N N 539 130.825 130.825 127.011 3.814 25010 418 1 . 1 1 539 539 ILE HA H 539 4.304 4.304 4.332 -0.028 25010 419 1 . 1 1 539 539 ILE CA C 539 61.221 61.221 60.799 0.422 25010 420 1 . 1 1 539 539 ILE CB C 539 39.938 39.938 39.584 0.354 25010 421 1 . 1 1 539 539 ILE H H 539 8.908 8.908 8.564 0.344 25010 422 1 . 1 1 540 540 VAL N N 540 125.447 125.447 127.432 -1.985 25010 423 1 . 1 1 540 540 VAL HA H 540 4.806 4.806 4.774 0.032 25010 424 1 . 1 1 540 540 VAL CA C 540 60.340 60.340 60.705 -0.365 25010 425 1 . 1 1 540 540 VAL CB C 540 33.794 33.794 32.423 1.371 25010 426 1 . 1 1 540 540 VAL H H 540 7.890 7.890 8.614 -0.724 25010 427 1 . 1 1 541 541 GLN N N 541 126.060 126.060 127.671 -1.611 25010 428 1 . 1 1 541 541 GLN HA H 541 4.652 4.652 4.566 0.086 25010 429 1 . 1 1 541 541 GLN CA C 541 54.441 54.441 54.375 0.066 25010 430 1 . 1 1 541 541 GLN CB C 541 30.994 30.994 30.665 0.329 25010 431 1 . 1 1 541 541 GLN H H 541 9.089 9.089 8.613 0.476 25010 432 1 . 1 1 542 542 GLU N N 542 122.213 122.213 122.635 -0.422 25010 433 1 . 1 1 542 542 GLU HA H 542 4.340 4.340 4.330 0.010 25010 434 1 . 1 1 542 542 GLU CA C 542 57.168 57.168 56.062 1.106 25010 435 1 . 1 1 542 542 GLU CB C 542 32.061 32.061 30.625 1.436 25010 436 1 . 1 1 542 542 GLU H H 542 8.763 8.763 8.596 0.167 25010 stop_ save_