data_25679 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25679 _Entry.PDB_ID 2N4S 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 25679 _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 1 429 429 ALA HA H 429 4.159 4.159 4.515 -0.356 25679 2 1 1 . 1 1 429 429 ALA H H 429 8.092 8.092 8.066 0.026 25679 3 1 1 . 1 1 430 430 THR HA H 430 4.095 4.095 4.441 -0.346 25679 4 1 1 . 1 1 430 430 THR H H 430 8.045 8.045 8.191 -0.146 25679 5 1 1 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.121 0.027 25679 6 1 1 . 1 1 431 431 ALA H H 431 8.170 8.170 8.363 -0.193 25679 7 1 1 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.066 -0.174 25679 8 1 1 . 1 1 432 432 VAL H H 432 8.039 8.039 8.310 -0.271 25679 9 1 1 . 1 1 433 433 SER HA H 433 4.294 4.294 4.683 -0.389 25679 10 1 1 . 1 1 433 433 SER H H 433 8.221 8.221 8.269 -0.048 25679 11 1 1 . 1 1 434 434 GLU HA H 434 3.987 3.987 3.887 0.100 25679 12 1 1 . 1 1 434 434 GLU H H 434 8.644 8.644 9.076 -0.432 25679 13 1 1 . 1 1 435 435 TRP HA H 435 5.114 5.114 5.572 -0.458 25679 14 1 1 . 1 1 435 435 TRP H H 435 8.059 8.059 7.772 0.287 25679 15 1 1 . 1 1 436 436 THR HA H 436 4.327 4.327 4.645 -0.318 25679 16 1 1 . 1 1 436 436 THR H H 436 9.307 9.307 9.075 0.232 25679 17 1 1 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.979 -0.797 25679 18 1 1 . 1 1 437 437 GLU H H 437 8.375 8.375 8.346 0.029 25679 19 1 1 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.564 -0.195 25679 20 1 1 . 1 1 438 438 TYR H H 438 8.435 8.435 7.775 0.660 25679 21 1 1 . 1 1 439 439 LYS HA H 439 5.254 5.254 4.779 0.475 25679 22 1 1 . 1 1 439 439 LYS H H 439 8.007 8.007 8.617 -0.610 25679 23 1 1 . 1 1 440 440 THR HA H 440 4.594 4.594 4.705 -0.111 25679 24 1 1 . 1 1 440 440 THR H H 440 9.086 9.086 9.203 -0.117 25679 25 1 1 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.071 -0.106 25679 26 1 1 . 1 1 441 441 ALA H H 441 9.053 9.053 8.789 0.264 25679 27 1 1 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.496 -0.037 25679 28 1 1 . 1 1 442 442 ASP H H 442 7.879 7.879 8.007 -0.128 25679 29 1 1 . 1 1 443 443 GLY H H 443 7.816 7.816 8.572 -0.756 25679 30 1 1 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.785 -0.428 25679 31 1 1 . 1 1 444 444 LYS H H 444 7.732 7.732 8.438 -0.706 25679 32 1 1 . 1 1 445 445 THR HA H 445 4.780 4.780 5.463 -0.683 25679 33 1 1 . 1 1 445 445 THR H H 445 8.542 8.542 8.473 0.069 25679 34 1 1 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.255 0.225 25679 35 1 1 . 1 1 446 446 TYR H H 446 8.546 8.546 8.336 0.210 25679 36 1 1 . 1 1 447 447 TYR HA H 447 4.961 4.961 4.961 0.000 25679 37 1 1 . 1 1 447 447 TYR H H 447 8.684 8.684 9.006 -0.322 25679 38 1 1 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.718 -0.322 25679 39 1 1 . 1 1 448 448 TYR H H 448 9.194 9.194 9.496 -0.302 25679 40 1 1 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.222 -0.179 25679 41 1 1 . 1 1 449 449 ASN H H 449 8.054 8.054 8.190 -0.136 25679 42 1 1 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.380 -0.399 25679 43 1 1 . 1 1 450 450 ASN H H 450 8.328 8.328 8.383 -0.055 25679 44 1 1 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.285 -0.226 25679 45 1 1 . 1 1 451 451 ARG H H 451 8.219 8.219 8.061 0.158 25679 46 1 1 . 1 1 452 452 THR HA H 452 3.851 3.851 4.272 -0.421 25679 47 1 1 . 1 1 452 452 THR H H 452 7.646 7.646 8.046 -0.400 25679 48 1 1 . 1 1 453 453 GLU HA H 453 3.422 3.422 3.718 -0.296 25679 49 1 1 . 1 1 453 453 GLU C C 453 4.135 4.135 174.544 -170.409 25679 50 1 1 . 1 1 453 453 GLU H H 453 7.729 7.729 7.793 -0.064 25679 51 1 1 . 1 1 454 454 GLU C C 454 5.829 5.829 175.236 -169.407 25679 52 1 1 . 1 1 454 454 GLU CA C 454 1.924 1.924 54.656 -52.732 25679 53 1 1 . 1 1 454 454 GLU H H 454 2.058 2.058 7.220 -5.162 25679 54 1 1 . 1 1 455 455 SER C C 455 4.621 4.621 174.245 -169.624 25679 55 1 1 . 1 1 455 455 SER H H 455 3.492 3.492 8.738 -5.246 25679 56 1 1 . 1 1 456 456 THR C C 456 4.780 4.780 173.917 -169.137 25679 57 1 1 . 1 1 456 456 THR CA C 456 0.971 0.971 60.527 -59.556 25679 58 1 1 . 1 1 456 456 THR H H 456 4.065 4.065 9.164 -5.099 25679 59 1 1 . 1 1 457 457 TRP C C 457 4.174 4.174 176.229 -172.055 25679 60 1 1 . 1 1 457 457 TRP CA C 457 2.966 2.966 57.419 -54.453 25679 61 1 1 . 1 1 457 457 TRP H H 457 3.421 3.421 8.770 -5.349 25679 62 1 1 . 1 1 458 458 GLU C C 458 2.500 2.500 175.970 -173.470 25679 63 1 1 . 1 1 458 458 GLU CA C 458 1.498 1.498 55.942 -54.444 25679 64 1 1 . 1 1 458 458 GLU H H 458 1.578 1.578 7.654 -6.076 25679 65 1 1 . 1 1 459 459 LYS C C 459 3.705 3.705 174.657 -170.952 25679 66 1 1 . 1 1 459 459 LYS CA C 459 1.155 1.155 54.691 -53.536 25679 67 1 1 . 1 1 459 459 LYS H H 459 1.242 1.242 8.388 -7.146 25679 68 1 1 . 1 1 460 460 PRO C C 460 3.566 3.566 176.801 -173.235 25679 69 1 1 . 1 1 460 460 PRO CA C 460 0.834 0.834 62.084 -61.250 25679 70 1 1 . 1 1 461 461 GLN C C 461 3.933 3.933 176.895 -172.962 25679 71 1 1 . 1 1 461 461 GLN CA C 461 1.733 1.733 58.753 -57.020 25679 72 1 1 . 1 1 461 461 GLN H H 461 1.807 1.807 8.561 -6.754 25679 73 1 1 . 1 1 462 462 GLU C C 462 4.192 4.192 175.390 -171.198 25679 74 1 1 . 1 1 462 462 GLU CA C 462 1.780 1.780 56.554 -54.774 25679 75 1 1 . 1 1 462 462 GLU H H 462 1.843 1.843 8.591 -6.748 25679 76 1 1 . 1 1 463 463 LEU C C 463 3.750 3.750 174.964 -171.214 25679 77 1 1 . 1 1 463 463 LEU CA C 463 1.056 1.056 53.782 -52.727 25679 78 1 1 . 1 1 463 463 LEU H H 463 1.135 1.135 6.976 -5.841 25679 79 1 2 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.679 -0.520 25679 80 1 2 . 1 1 429 429 ALA H H 429 8.092 8.092 8.202 -0.110 25679 81 1 2 . 1 1 430 430 THR HA H 430 4.095 4.095 4.382 -0.287 25679 82 1 2 . 1 1 430 430 THR H H 430 8.045 8.045 8.483 -0.438 25679 83 1 2 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.641 -0.493 25679 84 1 2 . 1 1 431 431 ALA H H 431 8.170 8.170 8.374 -0.204 25679 85 1 2 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.348 -0.456 25679 86 1 2 . 1 1 432 432 VAL H H 432 8.039 8.039 8.349 -0.310 25679 87 1 2 . 1 1 433 433 SER HA H 433 4.294 4.294 4.679 -0.385 25679 88 1 2 . 1 1 433 433 SER H H 433 8.221 8.221 8.320 -0.099 25679 89 1 2 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.049 -0.062 25679 90 1 2 . 1 1 434 434 GLU H H 434 8.644 8.644 8.798 -0.154 25679 91 1 2 . 1 1 435 435 TRP HA H 435 5.114 5.114 5.662 -0.548 25679 92 1 2 . 1 1 435 435 TRP H H 435 8.059 8.059 7.852 0.207 25679 93 1 2 . 1 1 436 436 THR HA H 436 4.327 4.327 4.739 -0.412 25679 94 1 2 . 1 1 436 436 THR H H 436 9.307 9.307 9.185 0.122 25679 95 1 2 . 1 1 437 437 GLU HA H 437 4.182 4.182 5.049 -0.867 25679 96 1 2 . 1 1 437 437 GLU H H 437 8.375 8.375 8.306 0.069 25679 97 1 2 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.541 -0.172 25679 98 1 2 . 1 1 438 438 TYR H H 438 8.435 8.435 7.853 0.582 25679 99 1 2 . 1 1 439 439 LYS HA H 439 5.254 5.254 4.685 0.569 25679 100 1 2 . 1 1 439 439 LYS H H 439 8.007 8.007 8.560 -0.553 25679 101 1 2 . 1 1 440 440 THR HA H 440 4.594 4.594 4.669 -0.075 25679 102 1 2 . 1 1 440 440 THR H H 440 9.086 9.086 9.167 -0.081 25679 103 1 2 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.005 -0.040 25679 104 1 2 . 1 1 441 441 ALA H H 441 9.053 9.053 8.754 0.299 25679 105 1 2 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.513 -0.054 25679 106 1 2 . 1 1 442 442 ASP H H 442 7.879 7.879 8.059 -0.180 25679 107 1 2 . 1 1 443 443 GLY H H 443 7.816 7.816 8.556 -0.740 25679 108 1 2 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.773 -0.416 25679 109 1 2 . 1 1 444 444 LYS H H 444 7.732 7.732 7.711 0.021 25679 110 1 2 . 1 1 445 445 THR HA H 445 4.780 4.780 5.450 -0.670 25679 111 1 2 . 1 1 445 445 THR H H 445 8.542 8.542 8.474 0.068 25679 112 1 2 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.340 0.140 25679 113 1 2 . 1 1 446 446 TYR H H 446 8.546 8.546 8.333 0.213 25679 114 1 2 . 1 1 447 447 TYR HA H 447 4.961 4.961 4.975 -0.014 25679 115 1 2 . 1 1 447 447 TYR H H 447 8.684 8.684 8.985 -0.301 25679 116 1 2 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.583 -0.187 25679 117 1 2 . 1 1 448 448 TYR H H 448 9.194 9.194 9.556 -0.362 25679 118 1 2 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.437 -0.394 25679 119 1 2 . 1 1 449 449 ASN H H 449 8.054 8.054 8.421 -0.367 25679 120 1 2 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.519 -0.538 25679 121 1 2 . 1 1 450 450 ASN H H 450 8.328 8.328 8.608 -0.280 25679 122 1 2 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.195 -0.136 25679 123 1 2 . 1 1 451 451 ARG H H 451 8.219 8.219 8.087 0.132 25679 124 1 2 . 1 1 452 452 THR HA H 452 3.851 3.851 4.330 -0.479 25679 125 1 2 . 1 1 452 452 THR H H 452 7.646 7.646 8.005 -0.359 25679 126 1 2 . 1 1 453 453 GLU HA H 453 3.422 3.422 3.373 0.049 25679 127 1 2 . 1 1 453 453 GLU C C 453 4.135 4.135 174.525 -170.390 25679 128 1 2 . 1 1 453 453 GLU H H 453 7.729 7.729 7.813 -0.084 25679 129 1 2 . 1 1 454 454 GLU C C 454 5.829 5.829 175.595 -169.766 25679 130 1 2 . 1 1 454 454 GLU CA C 454 1.924 1.924 55.298 -53.374 25679 131 1 2 . 1 1 454 454 GLU H H 454 2.058 2.058 7.204 -5.146 25679 132 1 2 . 1 1 455 455 SER C C 455 4.621 4.621 174.295 -169.674 25679 133 1 2 . 1 1 455 455 SER H H 455 3.492 3.492 8.701 -5.209 25679 134 1 2 . 1 1 456 456 THR C C 456 4.780 4.780 174.038 -169.258 25679 135 1 2 . 1 1 456 456 THR CA C 456 0.971 0.971 60.340 -59.369 25679 136 1 2 . 1 1 456 456 THR H H 456 4.065 4.065 9.047 -4.982 25679 137 1 2 . 1 1 457 457 TRP C C 457 4.174 4.174 176.421 -172.247 25679 138 1 2 . 1 1 457 457 TRP CA C 457 2.966 2.966 57.131 -54.165 25679 139 1 2 . 1 1 457 457 TRP H H 457 3.421 3.421 8.814 -5.393 25679 140 1 2 . 1 1 458 458 GLU C C 458 2.500 2.500 175.874 -173.374 25679 141 1 2 . 1 1 458 458 GLU CA C 458 1.498 1.498 55.923 -54.425 25679 142 1 2 . 1 1 458 458 GLU H H 458 1.578 1.578 7.687 -6.109 25679 143 1 2 . 1 1 459 459 LYS C C 459 3.705 3.705 174.811 -171.106 25679 144 1 2 . 1 1 459 459 LYS CA C 459 1.155 1.155 53.187 -52.032 25679 145 1 2 . 1 1 459 459 LYS H H 459 1.242 1.242 8.368 -7.126 25679 146 1 2 . 1 1 460 460 PRO C C 460 3.566 3.566 177.356 -173.790 25679 147 1 2 . 1 1 460 460 PRO CA C 460 0.834 0.834 62.087 -61.253 25679 148 1 2 . 1 1 461 461 GLN C C 461 3.933 3.933 177.617 -173.684 25679 149 1 2 . 1 1 461 461 GLN CA C 461 1.733 1.733 59.087 -57.353 25679 150 1 2 . 1 1 461 461 GLN H H 461 1.807 1.807 8.646 -6.839 25679 151 1 2 . 1 1 462 462 GLU C C 462 4.192 4.192 176.820 -172.628 25679 152 1 2 . 1 1 462 462 GLU CA C 462 1.780 1.780 58.328 -56.548 25679 153 1 2 . 1 1 462 462 GLU H H 462 1.843 1.843 8.442 -6.599 25679 154 1 2 . 1 1 463 463 LEU C C 463 3.750 3.750 174.439 -170.689 25679 155 1 2 . 1 1 463 463 LEU CA C 463 1.056 1.056 53.602 -52.546 25679 156 1 2 . 1 1 463 463 LEU H H 463 1.135 1.135 7.147 -6.012 25679 157 1 3 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.649 -0.490 25679 158 1 3 . 1 1 429 429 ALA H H 429 8.092 8.092 8.026 0.066 25679 159 1 3 . 1 1 430 430 THR HA H 430 4.095 4.095 4.131 -0.036 25679 160 1 3 . 1 1 430 430 THR H H 430 8.045 8.045 8.580 -0.535 25679 161 1 3 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.638 -0.490 25679 162 1 3 . 1 1 431 431 ALA H H 431 8.170 8.170 8.527 -0.357 25679 163 1 3 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.399 -0.507 25679 164 1 3 . 1 1 432 432 VAL H H 432 8.039 8.039 8.068 -0.029 25679 165 1 3 . 1 1 433 433 SER HA H 433 4.294 4.294 4.760 -0.466 25679 166 1 3 . 1 1 433 433 SER H H 433 8.221 8.221 7.949 0.272 25679 167 1 3 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.363 -0.376 25679 168 1 3 . 1 1 434 434 GLU H H 434 8.644 8.644 9.405 -0.761 25679 169 1 3 . 1 1 435 435 TRP HA H 435 5.114 5.114 5.606 -0.492 25679 170 1 3 . 1 1 435 435 TRP H H 435 8.059 8.059 7.668 0.391 25679 171 1 3 . 1 1 436 436 THR HA H 436 4.327 4.327 4.694 -0.367 25679 172 1 3 . 1 1 436 436 THR H H 436 9.307 9.307 9.109 0.198 25679 173 1 3 . 1 1 437 437 GLU HA H 437 4.182 4.182 5.013 -0.831 25679 174 1 3 . 1 1 437 437 GLU H H 437 8.375 8.375 8.413 -0.038 25679 175 1 3 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.606 -0.237 25679 176 1 3 . 1 1 438 438 TYR H H 438 8.435 8.435 7.802 0.633 25679 177 1 3 . 1 1 439 439 LYS HA H 439 5.254 5.254 4.774 0.480 25679 178 1 3 . 1 1 439 439 LYS H H 439 8.007 8.007 8.653 -0.646 25679 179 1 3 . 1 1 440 440 THR HA H 440 4.594 4.594 4.669 -0.075 25679 180 1 3 . 1 1 440 440 THR H H 440 9.086 9.086 9.258 -0.172 25679 181 1 3 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.013 -0.048 25679 182 1 3 . 1 1 441 441 ALA H H 441 9.053 9.053 8.768 0.285 25679 183 1 3 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.509 -0.050 25679 184 1 3 . 1 1 442 442 ASP H H 442 7.879 7.879 7.945 -0.066 25679 185 1 3 . 1 1 443 443 GLY H H 443 7.816 7.816 8.553 -0.737 25679 186 1 3 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.766 -0.409 25679 187 1 3 . 1 1 444 444 LYS H H 444 7.732 7.732 7.644 0.088 25679 188 1 3 . 1 1 445 445 THR HA H 445 4.780 4.780 5.416 -0.636 25679 189 1 3 . 1 1 445 445 THR H H 445 8.542 8.542 8.397 0.145 25679 190 1 3 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.222 0.258 25679 191 1 3 . 1 1 446 446 TYR H H 446 8.546 8.546 8.268 0.278 25679 192 1 3 . 1 1 447 447 TYR HA H 447 4.961 4.961 5.122 -0.161 25679 193 1 3 . 1 1 447 447 TYR H H 447 8.684 8.684 8.569 0.115 25679 194 1 3 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.602 -0.206 25679 195 1 3 . 1 1 448 448 TYR H H 448 9.194 9.194 9.482 -0.288 25679 196 1 3 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.159 -0.116 25679 197 1 3 . 1 1 449 449 ASN H H 449 8.054 8.054 8.070 -0.016 25679 198 1 3 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.388 -0.407 25679 199 1 3 . 1 1 450 450 ASN H H 450 8.328 8.328 8.439 -0.111 25679 200 1 3 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.344 -0.285 25679 201 1 3 . 1 1 451 451 ARG H H 451 8.219 8.219 7.897 0.322 25679 202 1 3 . 1 1 452 452 THR HA H 452 3.851 3.851 4.356 -0.505 25679 203 1 3 . 1 1 452 452 THR H H 452 7.646 7.646 7.819 -0.173 25679 204 1 3 . 1 1 453 453 GLU HA H 453 3.422 3.422 3.580 -0.158 25679 205 1 3 . 1 1 453 453 GLU C C 453 4.135 4.135 174.425 -170.290 25679 206 1 3 . 1 1 453 453 GLU H H 453 7.729 7.729 7.866 -0.137 25679 207 1 3 . 1 1 454 454 GLU C C 454 5.829 5.829 175.471 -169.642 25679 208 1 3 . 1 1 454 454 GLU CA C 454 1.924 1.924 55.385 -53.461 25679 209 1 3 . 1 1 454 454 GLU H H 454 2.058 2.058 7.122 -5.064 25679 210 1 3 . 1 1 455 455 SER C C 455 4.621 4.621 174.306 -169.685 25679 211 1 3 . 1 1 455 455 SER H H 455 3.492 3.492 8.834 -5.342 25679 212 1 3 . 1 1 456 456 THR C C 456 4.780 4.780 173.737 -168.957 25679 213 1 3 . 1 1 456 456 THR CA C 456 0.971 0.971 61.046 -60.075 25679 214 1 3 . 1 1 456 456 THR H H 456 4.065 4.065 9.082 -5.017 25679 215 1 3 . 1 1 457 457 TRP C C 457 4.174 4.174 176.257 -172.083 25679 216 1 3 . 1 1 457 457 TRP CA C 457 2.966 2.966 57.142 -54.176 25679 217 1 3 . 1 1 457 457 TRP H H 457 3.421 3.421 8.816 -5.395 25679 218 1 3 . 1 1 458 458 GLU C C 458 2.500 2.500 176.144 -173.644 25679 219 1 3 . 1 1 458 458 GLU CA C 458 1.498 1.498 56.150 -54.651 25679 220 1 3 . 1 1 458 458 GLU H H 458 1.578 1.578 7.601 -6.023 25679 221 1 3 . 1 1 459 459 LYS C C 459 3.705 3.705 174.738 -171.033 25679 222 1 3 . 1 1 459 459 LYS CA C 459 1.155 1.155 54.896 -53.741 25679 223 1 3 . 1 1 459 459 LYS H H 459 1.242 1.242 8.410 -7.168 25679 224 1 3 . 1 1 460 460 PRO C C 460 3.566 3.566 176.861 -173.295 25679 225 1 3 . 1 1 460 460 PRO CA C 460 0.834 0.834 61.809 -60.975 25679 226 1 3 . 1 1 461 461 GLN C C 461 3.933 3.933 177.159 -173.226 25679 227 1 3 . 1 1 461 461 GLN CA C 461 1.733 1.733 58.641 -56.908 25679 228 1 3 . 1 1 461 461 GLN H H 461 1.807 1.807 8.549 -6.742 25679 229 1 3 . 1 1 462 462 GLU C C 462 4.192 4.192 176.309 -172.117 25679 230 1 3 . 1 1 462 462 GLU CA C 462 1.780 1.780 57.139 -55.359 25679 231 1 3 . 1 1 462 462 GLU H H 462 1.843 1.843 8.422 -6.579 25679 232 1 3 . 1 1 463 463 LEU C C 463 3.750 3.750 175.100 -171.350 25679 233 1 3 . 1 1 463 463 LEU CA C 463 1.056 1.056 53.334 -52.278 25679 234 1 3 . 1 1 463 463 LEU H H 463 1.135 1.135 7.146 -6.011 25679 235 1 4 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.720 -0.561 25679 236 1 4 . 1 1 429 429 ALA H H 429 8.092 8.092 8.319 -0.227 25679 237 1 4 . 1 1 430 430 THR HA H 430 4.095 4.095 4.282 -0.187 25679 238 1 4 . 1 1 430 430 THR H H 430 8.045 8.045 8.484 -0.439 25679 239 1 4 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.749 -0.601 25679 240 1 4 . 1 1 431 431 ALA H H 431 8.170 8.170 8.504 -0.334 25679 241 1 4 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.263 -0.371 25679 242 1 4 . 1 1 432 432 VAL H H 432 8.039 8.039 8.232 -0.193 25679 243 1 4 . 1 1 433 433 SER HA H 433 4.294 4.294 4.607 -0.313 25679 244 1 4 . 1 1 433 433 SER H H 433 8.221 8.221 8.394 -0.173 25679 245 1 4 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.045 -0.058 25679 246 1 4 . 1 1 434 434 GLU H H 434 8.644 8.644 9.077 -0.433 25679 247 1 4 . 1 1 435 435 TRP HA H 435 5.114 5.114 5.571 -0.457 25679 248 1 4 . 1 1 435 435 TRP H H 435 8.059 8.059 7.910 0.149 25679 249 1 4 . 1 1 436 436 THR HA H 436 4.327 4.327 4.697 -0.370 25679 250 1 4 . 1 1 436 436 THR H H 436 9.307 9.307 9.106 0.201 25679 251 1 4 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.865 -0.683 25679 252 1 4 . 1 1 437 437 GLU H H 437 8.375 8.375 8.547 -0.172 25679 253 1 4 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.524 -0.155 25679 254 1 4 . 1 1 438 438 TYR H H 438 8.435 8.435 8.094 0.341 25679 255 1 4 . 1 1 439 439 LYS HA H 439 5.254 5.254 4.756 0.498 25679 256 1 4 . 1 1 439 439 LYS H H 439 8.007 8.007 8.631 -0.624 25679 257 1 4 . 1 1 440 440 THR HA H 440 4.594 4.594 4.688 -0.094 25679 258 1 4 . 1 1 440 440 THR H H 440 9.086 9.086 9.275 -0.189 25679 259 1 4 . 1 1 441 441 ALA HA H 441 3.965 3.965 3.994 -0.029 25679 260 1 4 . 1 1 441 441 ALA H H 441 9.053 9.053 8.747 0.306 25679 261 1 4 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.528 -0.069 25679 262 1 4 . 1 1 442 442 ASP H H 442 7.879 7.879 7.988 -0.109 25679 263 1 4 . 1 1 443 443 GLY H H 443 7.816 7.816 8.780 -0.964 25679 264 1 4 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.751 -0.394 25679 265 1 4 . 1 1 444 444 LYS H H 444 7.732 7.732 7.681 0.051 25679 266 1 4 . 1 1 445 445 THR HA H 445 4.780 4.780 5.433 -0.653 25679 267 1 4 . 1 1 445 445 THR H H 445 8.542 8.542 8.425 0.117 25679 268 1 4 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.133 0.347 25679 269 1 4 . 1 1 446 446 TYR H H 446 8.546 8.546 8.279 0.267 25679 270 1 4 . 1 1 447 447 TYR HA H 447 4.961 4.961 4.998 -0.037 25679 271 1 4 . 1 1 447 447 TYR H H 447 8.684 8.684 8.991 -0.307 25679 272 1 4 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.753 -0.357 25679 273 1 4 . 1 1 448 448 TYR H H 448 9.194 9.194 9.436 -0.242 25679 274 1 4 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.308 -0.265 25679 275 1 4 . 1 1 449 449 ASN H H 449 8.054 8.054 8.377 -0.323 25679 276 1 4 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.560 -0.579 25679 277 1 4 . 1 1 450 450 ASN H H 450 8.328 8.328 8.282 0.046 25679 278 1 4 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.334 -0.275 25679 279 1 4 . 1 1 451 451 ARG H H 451 8.219 8.219 8.395 -0.176 25679 280 1 4 . 1 1 452 452 THR HA H 452 3.851 3.851 4.429 -0.578 25679 281 1 4 . 1 1 452 452 THR H H 452 7.646 7.646 7.709 -0.063 25679 282 1 4 . 1 1 453 453 GLU HA H 453 3.422 3.422 3.687 -0.265 25679 283 1 4 . 1 1 453 453 GLU C C 453 4.135 4.135 174.655 -170.520 25679 284 1 4 . 1 1 453 453 GLU H H 453 7.729 7.729 7.762 -0.033 25679 285 1 4 . 1 1 454 454 GLU C C 454 5.829 5.829 175.292 -169.463 25679 286 1 4 . 1 1 454 454 GLU CA C 454 1.924 1.924 54.925 -53.001 25679 287 1 4 . 1 1 454 454 GLU H H 454 2.058 2.058 7.264 -5.206 25679 288 1 4 . 1 1 455 455 SER C C 455 4.621 4.621 174.300 -169.679 25679 289 1 4 . 1 1 455 455 SER H H 455 3.492 3.492 8.717 -5.225 25679 290 1 4 . 1 1 456 456 THR C C 456 4.780 4.780 174.111 -169.331 25679 291 1 4 . 1 1 456 456 THR CA C 456 0.971 0.971 60.093 -59.122 25679 292 1 4 . 1 1 456 456 THR H H 456 4.065 4.065 9.070 -5.005 25679 293 1 4 . 1 1 457 457 TRP C C 457 4.174 4.174 176.022 -171.848 25679 294 1 4 . 1 1 457 457 TRP CA C 457 2.966 2.966 57.392 -54.426 25679 295 1 4 . 1 1 457 457 TRP H H 457 3.421 3.421 8.906 -5.485 25679 296 1 4 . 1 1 458 458 GLU C C 458 2.500 2.500 176.232 -173.732 25679 297 1 4 . 1 1 458 458 GLU CA C 458 1.498 1.498 55.634 -54.136 25679 298 1 4 . 1 1 458 458 GLU H H 458 1.578 1.578 7.661 -6.083 25679 299 1 4 . 1 1 459 459 LYS C C 459 3.705 3.705 174.764 -171.059 25679 300 1 4 . 1 1 459 459 LYS CA C 459 1.155 1.155 54.591 -53.436 25679 301 1 4 . 1 1 459 459 LYS H H 459 1.242 1.242 8.553 -7.311 25679 302 1 4 . 1 1 460 460 PRO C C 460 3.566 3.566 177.569 -174.003 25679 303 1 4 . 1 1 460 460 PRO CA C 460 0.834 0.834 62.126 -61.292 25679 304 1 4 . 1 1 461 461 GLN C C 461 3.933 3.933 177.780 -173.847 25679 305 1 4 . 1 1 461 461 GLN CA C 461 1.733 1.733 58.995 -57.262 25679 306 1 4 . 1 1 461 461 GLN H H 461 1.807 1.807 8.810 -7.003 25679 307 1 4 . 1 1 462 462 GLU C C 462 4.192 4.192 176.083 -171.891 25679 308 1 4 . 1 1 462 462 GLU CA C 462 1.780 1.780 57.930 -56.150 25679 309 1 4 . 1 1 462 462 GLU H H 462 1.843 1.843 8.234 -6.391 25679 310 1 4 . 1 1 463 463 LEU C C 463 3.750 3.750 174.239 -170.489 25679 311 1 4 . 1 1 463 463 LEU CA C 463 1.056 1.056 54.281 -53.225 25679 312 1 4 . 1 1 463 463 LEU H H 463 1.135 1.135 7.343 -6.208 25679 313 1 5 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.547 -0.388 25679 314 1 5 . 1 1 429 429 ALA H H 429 8.092 8.092 7.999 0.093 25679 315 1 5 . 1 1 430 430 THR HA H 430 4.095 4.095 4.573 -0.478 25679 316 1 5 . 1 1 430 430 THR H H 430 8.045 8.045 8.294 -0.249 25679 317 1 5 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.731 -0.583 25679 318 1 5 . 1 1 431 431 ALA H H 431 8.170 8.170 8.389 -0.219 25679 319 1 5 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.419 -0.527 25679 320 1 5 . 1 1 432 432 VAL H H 432 8.039 8.039 8.317 -0.278 25679 321 1 5 . 1 1 433 433 SER HA H 433 4.294 4.294 4.711 -0.417 25679 322 1 5 . 1 1 433 433 SER H H 433 8.221 8.221 8.524 -0.303 25679 323 1 5 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.225 -0.238 25679 324 1 5 . 1 1 434 434 GLU H H 434 8.644 8.644 9.012 -0.368 25679 325 1 5 . 1 1 435 435 TRP HA H 435 5.114 5.114 5.653 -0.539 25679 326 1 5 . 1 1 435 435 TRP H H 435 8.059 8.059 7.839 0.220 25679 327 1 5 . 1 1 436 436 THR HA H 436 4.327 4.327 4.661 -0.334 25679 328 1 5 . 1 1 436 436 THR H H 436 9.307 9.307 9.074 0.233 25679 329 1 5 . 1 1 437 437 GLU HA H 437 4.182 4.182 5.061 -0.879 25679 330 1 5 . 1 1 437 437 GLU H H 437 8.375 8.375 8.438 -0.063 25679 331 1 5 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.526 -0.157 25679 332 1 5 . 1 1 438 438 TYR H H 438 8.435 8.435 7.731 0.704 25679 333 1 5 . 1 1 439 439 LYS HA H 439 5.254 5.254 4.729 0.525 25679 334 1 5 . 1 1 439 439 LYS H H 439 8.007 8.007 8.626 -0.619 25679 335 1 5 . 1 1 440 440 THR HA H 440 4.594 4.594 4.672 -0.078 25679 336 1 5 . 1 1 440 440 THR H H 440 9.086 9.086 9.206 -0.120 25679 337 1 5 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.001 -0.036 25679 338 1 5 . 1 1 441 441 ALA H H 441 9.053 9.053 8.784 0.269 25679 339 1 5 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.512 -0.053 25679 340 1 5 . 1 1 442 442 ASP H H 442 7.879 7.879 7.935 -0.056 25679 341 1 5 . 1 1 443 443 GLY H H 443 7.816 7.816 8.440 -0.624 25679 342 1 5 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.786 -0.429 25679 343 1 5 . 1 1 444 444 LYS H H 444 7.732 7.732 7.660 0.072 25679 344 1 5 . 1 1 445 445 THR HA H 445 4.780 4.780 5.339 -0.559 25679 345 1 5 . 1 1 445 445 THR H H 445 8.542 8.542 8.410 0.132 25679 346 1 5 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.145 0.335 25679 347 1 5 . 1 1 446 446 TYR H H 446 8.546 8.546 7.997 0.549 25679 348 1 5 . 1 1 447 447 TYR HA H 447 4.961 4.961 5.212 -0.251 25679 349 1 5 . 1 1 447 447 TYR H H 447 8.684 8.684 8.812 -0.128 25679 350 1 5 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.769 -0.373 25679 351 1 5 . 1 1 448 448 TYR H H 448 9.194 9.194 9.497 -0.303 25679 352 1 5 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.182 -0.139 25679 353 1 5 . 1 1 449 449 ASN H H 449 8.054 8.054 8.214 -0.160 25679 354 1 5 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.477 -0.496 25679 355 1 5 . 1 1 450 450 ASN H H 450 8.328 8.328 8.428 -0.100 25679 356 1 5 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.338 -0.279 25679 357 1 5 . 1 1 451 451 ARG H H 451 8.219 8.219 8.390 -0.172 25679 358 1 5 . 1 1 452 452 THR HA H 452 3.851 3.851 4.256 -0.405 25679 359 1 5 . 1 1 452 452 THR H H 452 7.646 7.646 8.223 -0.577 25679 360 1 5 . 1 1 453 453 GLU HA H 453 3.422 3.422 3.661 -0.239 25679 361 1 5 . 1 1 453 453 GLU C C 453 4.135 4.135 174.441 -170.306 25679 362 1 5 . 1 1 453 453 GLU H H 453 7.729 7.729 7.741 -0.012 25679 363 1 5 . 1 1 454 454 GLU C C 454 5.829 5.829 175.133 -169.304 25679 364 1 5 . 1 1 454 454 GLU CA C 454 1.924 1.924 54.534 -52.610 25679 365 1 5 . 1 1 454 454 GLU H H 454 2.058 2.058 7.261 -5.203 25679 366 1 5 . 1 1 455 455 SER C C 455 4.621 4.621 174.118 -169.497 25679 367 1 5 . 1 1 455 455 SER H H 455 3.492 3.492 8.754 -5.262 25679 368 1 5 . 1 1 456 456 THR C C 456 4.780 4.780 173.781 -169.001 25679 369 1 5 . 1 1 456 456 THR CA C 456 0.971 0.971 60.760 -59.789 25679 370 1 5 . 1 1 456 456 THR H H 456 4.065 4.065 9.185 -5.120 25679 371 1 5 . 1 1 457 457 TRP C C 457 4.174 4.174 176.250 -172.076 25679 372 1 5 . 1 1 457 457 TRP CA C 457 2.966 2.966 57.183 -54.217 25679 373 1 5 . 1 1 457 457 TRP H H 457 3.421 3.421 8.759 -5.338 25679 374 1 5 . 1 1 458 458 GLU C C 458 2.500 2.500 176.164 -173.664 25679 375 1 5 . 1 1 458 458 GLU CA C 458 1.498 1.498 55.823 -54.325 25679 376 1 5 . 1 1 458 458 GLU H H 458 1.578 1.578 7.728 -6.150 25679 377 1 5 . 1 1 459 459 LYS C C 459 3.705 3.705 174.868 -171.163 25679 378 1 5 . 1 1 459 459 LYS CA C 459 1.155 1.155 54.094 -52.939 25679 379 1 5 . 1 1 459 459 LYS H H 459 1.242 1.242 8.394 -7.152 25679 380 1 5 . 1 1 460 460 PRO C C 460 3.566 3.566 177.220 -173.654 25679 381 1 5 . 1 1 460 460 PRO CA C 460 0.834 0.834 62.510 -61.676 25679 382 1 5 . 1 1 461 461 GLN C C 461 3.933 3.933 177.414 -173.481 25679 383 1 5 . 1 1 461 461 GLN CA C 461 1.733 1.733 59.196 -57.463 25679 384 1 5 . 1 1 461 461 GLN H H 461 1.807 1.807 8.520 -6.713 25679 385 1 5 . 1 1 462 462 GLU C C 462 4.192 4.192 176.537 -172.345 25679 386 1 5 . 1 1 462 462 GLU CA C 462 1.780 1.780 57.655 -55.875 25679 387 1 5 . 1 1 462 462 GLU H H 462 1.843 1.843 8.341 -6.498 25679 388 1 5 . 1 1 463 463 LEU C C 463 3.750 3.750 174.636 -170.886 25679 389 1 5 . 1 1 463 463 LEU CA C 463 1.056 1.056 54.249 -53.193 25679 390 1 5 . 1 1 463 463 LEU H H 463 1.135 1.135 7.375 -6.240 25679 391 1 6 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.707 -0.548 25679 392 1 6 . 1 1 429 429 ALA H H 429 8.092 8.092 8.231 -0.139 25679 393 1 6 . 1 1 430 430 THR HA H 430 4.095 4.095 4.281 -0.186 25679 394 1 6 . 1 1 430 430 THR H H 430 8.045 8.045 8.368 -0.323 25679 395 1 6 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.493 -0.345 25679 396 1 6 . 1 1 431 431 ALA H H 431 8.170 8.170 8.604 -0.434 25679 397 1 6 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.572 -0.680 25679 398 1 6 . 1 1 432 432 VAL H H 432 8.039 8.039 7.769 0.270 25679 399 1 6 . 1 1 433 433 SER HA H 433 4.294 4.294 4.403 -0.109 25679 400 1 6 . 1 1 433 433 SER H H 433 8.221 8.221 8.207 0.014 25679 401 1 6 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.296 -0.309 25679 402 1 6 . 1 1 434 434 GLU H H 434 8.644 8.644 9.028 -0.384 25679 403 1 6 . 1 1 435 435 TRP HA H 435 5.114 5.114 5.581 -0.467 25679 404 1 6 . 1 1 435 435 TRP H H 435 8.059 8.059 7.679 0.380 25679 405 1 6 . 1 1 436 436 THR HA H 436 4.327 4.327 4.685 -0.358 25679 406 1 6 . 1 1 436 436 THR H H 436 9.307 9.307 9.162 0.145 25679 407 1 6 . 1 1 437 437 GLU HA H 437 4.182 4.182 5.133 -0.951 25679 408 1 6 . 1 1 437 437 GLU H H 437 8.375 8.375 8.410 -0.035 25679 409 1 6 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.549 -0.180 25679 410 1 6 . 1 1 438 438 TYR H H 438 8.435 8.435 7.843 0.592 25679 411 1 6 . 1 1 439 439 LYS HA H 439 5.254 5.254 4.726 0.528 25679 412 1 6 . 1 1 439 439 LYS H H 439 8.007 8.007 8.606 -0.599 25679 413 1 6 . 1 1 440 440 THR HA H 440 4.594 4.594 4.670 -0.076 25679 414 1 6 . 1 1 440 440 THR H H 440 9.086 9.086 9.172 -0.086 25679 415 1 6 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.000 -0.035 25679 416 1 6 . 1 1 441 441 ALA H H 441 9.053 9.053 8.784 0.269 25679 417 1 6 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.516 -0.057 25679 418 1 6 . 1 1 442 442 ASP H H 442 7.879 7.879 8.046 -0.167 25679 419 1 6 . 1 1 443 443 GLY H H 443 7.816 7.816 8.659 -0.843 25679 420 1 6 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.775 -0.418 25679 421 1 6 . 1 1 444 444 LYS H H 444 7.732 7.732 7.725 0.007 25679 422 1 6 . 1 1 445 445 THR HA H 445 4.780 4.780 5.337 -0.557 25679 423 1 6 . 1 1 445 445 THR H H 445 8.542 8.542 8.469 0.073 25679 424 1 6 . 1 1 446 446 TYR HA H 446 4.480 4.480 3.892 0.588 25679 425 1 6 . 1 1 446 446 TYR H H 446 8.546 8.546 8.181 0.365 25679 426 1 6 . 1 1 447 447 TYR HA H 447 4.961 4.961 5.120 -0.159 25679 427 1 6 . 1 1 447 447 TYR H H 447 8.684 8.684 8.906 -0.222 25679 428 1 6 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.854 -0.458 25679 429 1 6 . 1 1 448 448 TYR H H 448 9.194 9.194 9.482 -0.288 25679 430 1 6 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.298 -0.255 25679 431 1 6 . 1 1 449 449 ASN H H 449 8.054 8.054 8.214 -0.160 25679 432 1 6 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.542 -0.561 25679 433 1 6 . 1 1 450 450 ASN H H 450 8.328 8.328 8.381 -0.053 25679 434 1 6 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.268 -0.209 25679 435 1 6 . 1 1 451 451 ARG H H 451 8.219 8.219 7.867 0.352 25679 436 1 6 . 1 1 452 452 THR HA H 452 3.851 3.851 4.142 -0.291 25679 437 1 6 . 1 1 452 452 THR H H 452 7.646 7.646 8.108 -0.462 25679 438 1 6 . 1 1 453 453 GLU HA H 453 3.422 3.422 3.493 -0.071 25679 439 1 6 . 1 1 453 453 GLU C C 453 4.135 4.135 174.702 -170.567 25679 440 1 6 . 1 1 453 453 GLU H H 453 7.729 7.729 7.991 -0.262 25679 441 1 6 . 1 1 454 454 GLU C C 454 5.829 5.829 174.835 -169.006 25679 442 1 6 . 1 1 454 454 GLU CA C 454 1.924 1.924 53.941 -52.017 25679 443 1 6 . 1 1 454 454 GLU H H 454 2.058 2.058 7.311 -5.253 25679 444 1 6 . 1 1 455 455 SER C C 455 4.621 4.621 173.870 -169.249 25679 445 1 6 . 1 1 455 455 SER H H 455 3.492 3.492 8.834 -5.342 25679 446 1 6 . 1 1 456 456 THR C C 456 4.780 4.780 174.002 -169.222 25679 447 1 6 . 1 1 456 456 THR CA C 456 0.971 0.971 59.515 -58.544 25679 448 1 6 . 1 1 456 456 THR H H 456 4.065 4.065 9.081 -5.016 25679 449 1 6 . 1 1 457 457 TRP C C 457 4.174 4.174 175.872 -171.698 25679 450 1 6 . 1 1 457 457 TRP CA C 457 2.966 2.966 56.891 -53.925 25679 451 1 6 . 1 1 457 457 TRP H H 457 3.421 3.421 8.903 -5.482 25679 452 1 6 . 1 1 458 458 GLU C C 458 2.500 2.500 175.975 -173.475 25679 453 1 6 . 1 1 458 458 GLU CA C 458 1.498 1.498 55.511 -54.013 25679 454 1 6 . 1 1 458 458 GLU H H 458 1.578 1.578 7.637 -6.059 25679 455 1 6 . 1 1 459 459 LYS C C 459 3.705 3.705 174.744 -171.039 25679 456 1 6 . 1 1 459 459 LYS CA C 459 1.155 1.155 55.013 -53.858 25679 457 1 6 . 1 1 459 459 LYS H H 459 1.242 1.242 8.499 -7.257 25679 458 1 6 . 1 1 460 460 PRO C C 460 3.566 3.566 176.921 -173.355 25679 459 1 6 . 1 1 460 460 PRO CA C 460 0.834 0.834 62.010 -61.176 25679 460 1 6 . 1 1 461 461 GLN C C 461 3.933 3.933 177.232 -173.299 25679 461 1 6 . 1 1 461 461 GLN CA C 461 1.733 1.733 58.642 -56.910 25679 462 1 6 . 1 1 461 461 GLN H H 461 1.807 1.807 8.623 -6.816 25679 463 1 6 . 1 1 462 462 GLU C C 462 4.192 4.192 176.511 -172.319 25679 464 1 6 . 1 1 462 462 GLU CA C 462 1.780 1.780 56.671 -54.891 25679 465 1 6 . 1 1 462 462 GLU H H 462 1.843 1.843 8.447 -6.604 25679 466 1 6 . 1 1 463 463 LEU C C 463 3.750 3.750 175.437 -171.687 25679 467 1 6 . 1 1 463 463 LEU CA C 463 1.056 1.056 53.381 -52.325 25679 468 1 6 . 1 1 463 463 LEU H H 463 1.135 1.135 7.379 -6.244 25679 469 1 7 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.376 -0.217 25679 470 1 7 . 1 1 429 429 ALA H H 429 8.092 8.092 9.571 -1.479 25679 471 1 7 . 1 1 430 430 THR HA H 430 4.095 4.095 4.391 -0.296 25679 472 1 7 . 1 1 430 430 THR H H 430 8.045 8.045 8.020 0.025 25679 473 1 7 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.710 -0.562 25679 474 1 7 . 1 1 431 431 ALA H H 431 8.170 8.170 8.414 -0.244 25679 475 1 7 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.548 -0.656 25679 476 1 7 . 1 1 432 432 VAL H H 432 8.039 8.039 8.553 -0.514 25679 477 1 7 . 1 1 433 433 SER HA H 433 4.294 4.294 4.638 -0.344 25679 478 1 7 . 1 1 433 433 SER H H 433 8.221 8.221 8.240 -0.019 25679 479 1 7 . 1 1 434 434 GLU HA H 434 3.987 3.987 3.877 0.110 25679 480 1 7 . 1 1 434 434 GLU H H 434 8.644 8.644 8.729 -0.085 25679 481 1 7 . 1 1 435 435 TRP HA H 435 5.114 5.114 5.639 -0.525 25679 482 1 7 . 1 1 435 435 TRP H H 435 8.059 8.059 7.882 0.177 25679 483 1 7 . 1 1 436 436 THR HA H 436 4.327 4.327 4.629 -0.302 25679 484 1 7 . 1 1 436 436 THR H H 436 9.307 9.307 9.120 0.187 25679 485 1 7 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.997 -0.815 25679 486 1 7 . 1 1 437 437 GLU H H 437 8.375 8.375 8.405 -0.030 25679 487 1 7 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.540 -0.171 25679 488 1 7 . 1 1 438 438 TYR H H 438 8.435 8.435 7.655 0.780 25679 489 1 7 . 1 1 439 439 LYS HA H 439 5.254 5.254 4.787 0.467 25679 490 1 7 . 1 1 439 439 LYS H H 439 8.007 8.007 8.639 -0.632 25679 491 1 7 . 1 1 440 440 THR HA H 440 4.594 4.594 4.737 -0.143 25679 492 1 7 . 1 1 440 440 THR H H 440 9.086 9.086 9.197 -0.111 25679 493 1 7 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.030 -0.065 25679 494 1 7 . 1 1 441 441 ALA H H 441 9.053 9.053 8.770 0.283 25679 495 1 7 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.515 -0.056 25679 496 1 7 . 1 1 442 442 ASP H H 442 7.879 7.879 8.020 -0.141 25679 497 1 7 . 1 1 443 443 GLY H H 443 7.816 7.816 8.629 -0.813 25679 498 1 7 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.779 -0.422 25679 499 1 7 . 1 1 444 444 LYS H H 444 7.732 7.732 7.646 0.086 25679 500 1 7 . 1 1 445 445 THR HA H 445 4.780 4.780 5.358 -0.578 25679 501 1 7 . 1 1 445 445 THR H H 445 8.542 8.542 8.469 0.073 25679 502 1 7 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.119 0.361 25679 503 1 7 . 1 1 446 446 TYR H H 446 8.546 8.546 8.136 0.410 25679 504 1 7 . 1 1 447 447 TYR HA H 447 4.961 4.961 5.100 -0.139 25679 505 1 7 . 1 1 447 447 TYR H H 447 8.684 8.684 9.061 -0.377 25679 506 1 7 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.731 -0.335 25679 507 1 7 . 1 1 448 448 TYR H H 448 9.194 9.194 9.442 -0.248 25679 508 1 7 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.334 -0.291 25679 509 1 7 . 1 1 449 449 ASN H H 449 8.054 8.054 8.369 -0.315 25679 510 1 7 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.528 -0.547 25679 511 1 7 . 1 1 450 450 ASN H H 450 8.328 8.328 8.488 -0.160 25679 512 1 7 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.394 -0.335 25679 513 1 7 . 1 1 451 451 ARG H H 451 8.219 8.219 8.091 0.128 25679 514 1 7 . 1 1 452 452 THR HA H 452 3.851 3.851 4.440 -0.589 25679 515 1 7 . 1 1 452 452 THR H H 452 7.646 7.646 7.534 0.112 25679 516 1 7 . 1 1 453 453 GLU HA H 453 3.422 3.422 3.512 -0.090 25679 517 1 7 . 1 1 453 453 GLU C C 453 4.135 4.135 174.453 -170.318 25679 518 1 7 . 1 1 453 453 GLU H H 453 7.729 7.729 7.913 -0.184 25679 519 1 7 . 1 1 454 454 GLU C C 454 5.829 5.829 175.589 -169.760 25679 520 1 7 . 1 1 454 454 GLU CA C 454 1.924 1.924 55.243 -53.319 25679 521 1 7 . 1 1 454 454 GLU H H 454 2.058 2.058 7.214 -5.156 25679 522 1 7 . 1 1 455 455 SER C C 455 4.621 4.621 174.000 -169.379 25679 523 1 7 . 1 1 455 455 SER H H 455 3.492 3.492 8.904 -5.412 25679 524 1 7 . 1 1 456 456 THR C C 456 4.780 4.780 174.078 -169.298 25679 525 1 7 . 1 1 456 456 THR CA C 456 0.971 0.971 60.258 -59.288 25679 526 1 7 . 1 1 456 456 THR H H 456 4.065 4.065 9.041 -4.976 25679 527 1 7 . 1 1 457 457 TRP C C 457 4.174 4.174 176.033 -171.859 25679 528 1 7 . 1 1 457 457 TRP CA C 457 2.966 2.966 56.817 -53.851 25679 529 1 7 . 1 1 457 457 TRP H H 457 3.421 3.421 8.824 -5.403 25679 530 1 7 . 1 1 458 458 GLU C C 458 2.500 2.500 175.954 -173.454 25679 531 1 7 . 1 1 458 458 GLU CA C 458 1.498 1.498 55.613 -54.115 25679 532 1 7 . 1 1 458 458 GLU H H 458 1.578 1.578 7.660 -6.082 25679 533 1 7 . 1 1 459 459 LYS C C 459 3.705 3.705 174.601 -170.896 25679 534 1 7 . 1 1 459 459 LYS CA C 459 1.155 1.155 54.408 -53.253 25679 535 1 7 . 1 1 459 459 LYS H H 459 1.242 1.242 8.451 -7.209 25679 536 1 7 . 1 1 460 460 PRO C C 460 3.566 3.566 176.809 -173.243 25679 537 1 7 . 1 1 460 460 PRO CA C 460 0.834 0.834 62.200 -61.366 25679 538 1 7 . 1 1 461 461 GLN C C 461 3.933 3.933 177.465 -173.532 25679 539 1 7 . 1 1 461 461 GLN CA C 461 1.733 1.733 58.740 -57.007 25679 540 1 7 . 1 1 461 461 GLN H H 461 1.807 1.807 8.598 -6.791 25679 541 1 7 . 1 1 462 462 GLU C C 462 4.192 4.192 176.383 -172.191 25679 542 1 7 . 1 1 462 462 GLU CA C 462 1.780 1.780 57.832 -56.052 25679 543 1 7 . 1 1 462 462 GLU H H 462 1.843 1.843 8.652 -6.809 25679 544 1 7 . 1 1 463 463 LEU C C 463 3.750 3.750 175.022 -171.272 25679 545 1 7 . 1 1 463 463 LEU CA C 463 1.056 1.056 53.666 -52.610 25679 546 1 7 . 1 1 463 463 LEU H H 463 1.135 1.135 7.414 -6.279 25679 547 1 8 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.312 -0.153 25679 548 1 8 . 1 1 429 429 ALA H H 429 8.092 8.092 8.023 0.069 25679 549 1 8 . 1 1 430 430 THR HA H 430 4.095 4.095 4.410 -0.315 25679 550 1 8 . 1 1 430 430 THR H H 430 8.045 8.045 8.078 -0.033 25679 551 1 8 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.164 -0.016 25679 552 1 8 . 1 1 431 431 ALA H H 431 8.170 8.170 8.271 -0.101 25679 553 1 8 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.106 -0.214 25679 554 1 8 . 1 1 432 432 VAL H H 432 8.039 8.039 8.220 -0.181 25679 555 1 8 . 1 1 433 433 SER HA H 433 4.294 4.294 4.717 -0.423 25679 556 1 8 . 1 1 433 433 SER H H 433 8.221 8.221 7.959 0.262 25679 557 1 8 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.652 -0.665 25679 558 1 8 . 1 1 434 434 GLU H H 434 8.644 8.644 8.831 -0.187 25679 559 1 8 . 1 1 435 435 TRP HA H 435 5.114 5.114 5.747 -0.633 25679 560 1 8 . 1 1 435 435 TRP H H 435 8.059 8.059 7.865 0.194 25679 561 1 8 . 1 1 436 436 THR HA H 436 4.327 4.327 4.683 -0.356 25679 562 1 8 . 1 1 436 436 THR H H 436 9.307 9.307 9.186 0.121 25679 563 1 8 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.880 -0.698 25679 564 1 8 . 1 1 437 437 GLU H H 437 8.375 8.375 8.449 -0.074 25679 565 1 8 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.586 -0.217 25679 566 1 8 . 1 1 438 438 TYR H H 438 8.435 8.435 8.222 0.213 25679 567 1 8 . 1 1 439 439 LYS HA H 439 5.254 5.254 4.720 0.534 25679 568 1 8 . 1 1 439 439 LYS H H 439 8.007 8.007 8.608 -0.601 25679 569 1 8 . 1 1 440 440 THR HA H 440 4.594 4.594 4.644 -0.050 25679 570 1 8 . 1 1 440 440 THR H H 440 9.086 9.086 9.139 -0.053 25679 571 1 8 . 1 1 441 441 ALA HA H 441 3.965 3.965 3.992 -0.027 25679 572 1 8 . 1 1 441 441 ALA H H 441 9.053 9.053 8.774 0.279 25679 573 1 8 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.494 -0.035 25679 574 1 8 . 1 1 442 442 ASP H H 442 7.879 7.879 7.975 -0.096 25679 575 1 8 . 1 1 443 443 GLY H H 443 7.816 7.816 8.580 -0.764 25679 576 1 8 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.789 -0.432 25679 577 1 8 . 1 1 444 444 LYS H H 444 7.732 7.732 7.691 0.041 25679 578 1 8 . 1 1 445 445 THR HA H 445 4.780 4.780 5.289 -0.509 25679 579 1 8 . 1 1 445 445 THR H H 445 8.542 8.542 8.464 0.078 25679 580 1 8 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.056 0.424 25679 581 1 8 . 1 1 446 446 TYR H H 446 8.546 8.546 8.563 -0.017 25679 582 1 8 . 1 1 447 447 TYR HA H 447 4.961 4.961 4.945 0.016 25679 583 1 8 . 1 1 447 447 TYR H H 447 8.684 8.684 8.807 -0.123 25679 584 1 8 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.402 -0.006 25679 585 1 8 . 1 1 448 448 TYR H H 448 9.194 9.194 9.555 -0.361 25679 586 1 8 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.401 -0.358 25679 587 1 8 . 1 1 449 449 ASN H H 449 8.054 8.054 8.233 -0.179 25679 588 1 8 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.513 -0.532 25679 589 1 8 . 1 1 450 450 ASN H H 450 8.328 8.328 8.187 0.141 25679 590 1 8 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.198 -0.139 25679 591 1 8 . 1 1 451 451 ARG H H 451 8.219 8.219 8.264 -0.045 25679 592 1 8 . 1 1 452 452 THR HA H 452 3.851 3.851 4.406 -0.555 25679 593 1 8 . 1 1 452 452 THR H H 452 7.646 7.646 7.560 0.086 25679 594 1 8 . 1 1 453 453 GLU HA H 453 3.422 3.422 3.485 -0.063 25679 595 1 8 . 1 1 453 453 GLU C C 453 4.135 4.135 174.769 -170.634 25679 596 1 8 . 1 1 453 453 GLU H H 453 7.729 7.729 7.849 -0.120 25679 597 1 8 . 1 1 454 454 GLU C C 454 5.829 5.829 175.667 -169.838 25679 598 1 8 . 1 1 454 454 GLU CA C 454 1.924 1.924 55.916 -53.992 25679 599 1 8 . 1 1 454 454 GLU H H 454 2.058 2.058 7.243 -5.185 25679 600 1 8 . 1 1 455 455 SER C C 455 4.621 4.621 174.316 -169.695 25679 601 1 8 . 1 1 455 455 SER H H 455 3.492 3.492 8.657 -5.165 25679 602 1 8 . 1 1 456 456 THR C C 456 4.780 4.780 174.483 -169.703 25679 603 1 8 . 1 1 456 456 THR CA C 456 0.971 0.971 60.934 -59.963 25679 604 1 8 . 1 1 456 456 THR H H 456 4.065 4.065 9.087 -5.022 25679 605 1 8 . 1 1 457 457 TRP C C 457 4.174 4.174 176.260 -172.086 25679 606 1 8 . 1 1 457 457 TRP CA C 457 2.966 2.966 57.474 -54.508 25679 607 1 8 . 1 1 457 457 TRP H H 457 3.421 3.421 8.834 -5.413 25679 608 1 8 . 1 1 458 458 GLU C C 458 2.500 2.500 175.923 -173.423 25679 609 1 8 . 1 1 458 458 GLU CA C 458 1.498 1.498 55.388 -53.890 25679 610 1 8 . 1 1 458 458 GLU H H 458 1.578 1.578 7.613 -6.035 25679 611 1 8 . 1 1 459 459 LYS C C 459 3.705 3.705 174.527 -170.822 25679 612 1 8 . 1 1 459 459 LYS CA C 459 1.155 1.155 54.527 -53.372 25679 613 1 8 . 1 1 459 459 LYS H H 459 1.242 1.242 8.396 -7.154 25679 614 1 8 . 1 1 460 460 PRO C C 460 3.566 3.566 177.068 -173.502 25679 615 1 8 . 1 1 460 460 PRO CA C 460 0.834 0.834 62.245 -61.411 25679 616 1 8 . 1 1 461 461 GLN C C 461 3.933 3.933 176.740 -172.807 25679 617 1 8 . 1 1 461 461 GLN CA C 461 1.733 1.733 59.314 -57.581 25679 618 1 8 . 1 1 461 461 GLN H H 461 1.807 1.807 8.568 -6.761 25679 619 1 8 . 1 1 462 462 GLU C C 462 4.192 4.192 175.790 -171.598 25679 620 1 8 . 1 1 462 462 GLU CA C 462 1.780 1.780 56.371 -54.591 25679 621 1 8 . 1 1 462 462 GLU H H 462 1.843 1.843 8.505 -6.662 25679 622 1 8 . 1 1 463 463 LEU C C 463 3.750 3.750 174.877 -171.127 25679 623 1 8 . 1 1 463 463 LEU CA C 463 1.056 1.056 54.162 -53.106 25679 624 1 8 . 1 1 463 463 LEU H H 463 1.135 1.135 7.291 -6.156 25679 625 1 9 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.115 0.044 25679 626 1 9 . 1 1 429 429 ALA H H 429 8.092 8.092 8.121 -0.029 25679 627 1 9 . 1 1 430 430 THR HA H 430 4.095 4.095 4.396 -0.301 25679 628 1 9 . 1 1 430 430 THR H H 430 8.045 8.045 8.170 -0.125 25679 629 1 9 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.573 -0.425 25679 630 1 9 . 1 1 431 431 ALA H H 431 8.170 8.170 8.730 -0.560 25679 631 1 9 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.214 -0.322 25679 632 1 9 . 1 1 432 432 VAL H H 432 8.039 8.039 7.976 0.063 25679 633 1 9 . 1 1 433 433 SER HA H 433 4.294 4.294 4.849 -0.555 25679 634 1 9 . 1 1 433 433 SER H H 433 8.221 8.221 8.385 -0.164 25679 635 1 9 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.506 -0.519 25679 636 1 9 . 1 1 434 434 GLU H H 434 8.644 8.644 9.284 -0.640 25679 637 1 9 . 1 1 435 435 TRP HA H 435 5.114 5.114 5.471 -0.357 25679 638 1 9 . 1 1 435 435 TRP H H 435 8.059 8.059 7.640 0.419 25679 639 1 9 . 1 1 436 436 THR HA H 436 4.327 4.327 4.679 -0.352 25679 640 1 9 . 1 1 436 436 THR H H 436 9.307 9.307 9.059 0.248 25679 641 1 9 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.982 -0.800 25679 642 1 9 . 1 1 437 437 GLU H H 437 8.375 8.375 8.423 -0.048 25679 643 1 9 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.593 -0.224 25679 644 1 9 . 1 1 438 438 TYR H H 438 8.435 8.435 7.998 0.437 25679 645 1 9 . 1 1 439 439 LYS HA H 439 5.254 5.254 4.732 0.522 25679 646 1 9 . 1 1 439 439 LYS H H 439 8.007 8.007 8.647 -0.640 25679 647 1 9 . 1 1 440 440 THR HA H 440 4.594 4.594 4.652 -0.058 25679 648 1 9 . 1 1 440 440 THR H H 440 9.086 9.086 9.150 -0.064 25679 649 1 9 . 1 1 441 441 ALA HA H 441 3.965 3.965 3.974 -0.010 25679 650 1 9 . 1 1 441 441 ALA H H 441 9.053 9.053 8.749 0.304 25679 651 1 9 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.484 -0.025 25679 652 1 9 . 1 1 442 442 ASP H H 442 7.879 7.879 7.998 -0.119 25679 653 1 9 . 1 1 443 443 GLY H H 443 7.816 7.816 8.586 -0.770 25679 654 1 9 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.808 -0.451 25679 655 1 9 . 1 1 444 444 LYS H H 444 7.732 7.732 7.759 -0.027 25679 656 1 9 . 1 1 445 445 THR HA H 445 4.780 4.780 5.418 -0.638 25679 657 1 9 . 1 1 445 445 THR H H 445 8.542 8.542 8.434 0.108 25679 658 1 9 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.292 0.188 25679 659 1 9 . 1 1 446 446 TYR H H 446 8.546 8.546 8.368 0.178 25679 660 1 9 . 1 1 447 447 TYR HA H 447 4.961 4.961 5.261 -0.300 25679 661 1 9 . 1 1 447 447 TYR H H 447 8.684 8.684 8.821 -0.137 25679 662 1 9 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.242 0.154 25679 663 1 9 . 1 1 448 448 TYR H H 448 9.194 9.194 9.505 -0.311 25679 664 1 9 . 1 1 449 449 ASN HA H 449 4.043 4.043 3.961 0.082 25679 665 1 9 . 1 1 449 449 ASN H H 449 8.054 8.054 8.176 -0.122 25679 666 1 9 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.275 -0.294 25679 667 1 9 . 1 1 450 450 ASN H H 450 8.328 8.328 8.139 0.189 25679 668 1 9 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.100 -0.041 25679 669 1 9 . 1 1 451 451 ARG H H 451 8.219 8.219 7.568 0.651 25679 670 1 9 . 1 1 452 452 THR HA H 452 3.851 3.851 4.366 -0.515 25679 671 1 9 . 1 1 452 452 THR H H 452 7.646 7.646 8.228 -0.582 25679 672 1 9 . 1 1 453 453 GLU HA H 453 3.422 3.422 3.639 -0.217 25679 673 1 9 . 1 1 453 453 GLU C C 453 4.135 4.135 174.603 -170.468 25679 674 1 9 . 1 1 453 453 GLU H H 453 7.729 7.729 7.742 -0.013 25679 675 1 9 . 1 1 454 454 GLU C C 454 5.829 5.829 175.626 -169.797 25679 676 1 9 . 1 1 454 454 GLU CA C 454 1.924 1.924 55.290 -53.366 25679 677 1 9 . 1 1 454 454 GLU H H 454 2.058 2.058 7.293 -5.235 25679 678 1 9 . 1 1 455 455 SER C C 455 4.621 4.621 174.374 -169.753 25679 679 1 9 . 1 1 455 455 SER H H 455 3.492 3.492 8.870 -5.378 25679 680 1 9 . 1 1 456 456 THR C C 456 4.780 4.780 173.880 -169.100 25679 681 1 9 . 1 1 456 456 THR CA C 456 0.971 0.971 60.634 -59.663 25679 682 1 9 . 1 1 456 456 THR H H 456 4.065 4.065 9.253 -5.188 25679 683 1 9 . 1 1 457 457 TRP C C 457 4.174 4.174 176.117 -171.943 25679 684 1 9 . 1 1 457 457 TRP CA C 457 2.966 2.966 57.715 -54.749 25679 685 1 9 . 1 1 457 457 TRP H H 457 3.421 3.421 8.960 -5.539 25679 686 1 9 . 1 1 458 458 GLU C C 458 2.500 2.500 175.951 -173.451 25679 687 1 9 . 1 1 458 458 GLU CA C 458 1.498 1.498 55.716 -54.218 25679 688 1 9 . 1 1 458 458 GLU H H 458 1.578 1.578 7.656 -6.078 25679 689 1 9 . 1 1 459 459 LYS C C 459 3.705 3.705 175.107 -171.402 25679 690 1 9 . 1 1 459 459 LYS CA C 459 1.155 1.155 54.589 -53.434 25679 691 1 9 . 1 1 459 459 LYS H H 459 1.242 1.242 8.477 -7.235 25679 692 1 9 . 1 1 460 460 PRO C C 460 3.566 3.566 177.063 -173.497 25679 693 1 9 . 1 1 460 460 PRO CA C 460 0.834 0.834 61.852 -61.018 25679 694 1 9 . 1 1 461 461 GLN C C 461 3.933 3.933 177.676 -173.743 25679 695 1 9 . 1 1 461 461 GLN CA C 461 1.733 1.733 58.861 -57.128 25679 696 1 9 . 1 1 461 461 GLN H H 461 1.807 1.807 8.649 -6.842 25679 697 1 9 . 1 1 462 462 GLU C C 462 4.192 4.192 176.674 -172.482 25679 698 1 9 . 1 1 462 462 GLU CA C 462 1.780 1.780 57.854 -56.074 25679 699 1 9 . 1 1 462 462 GLU H H 462 1.843 1.843 8.413 -6.570 25679 700 1 9 . 1 1 463 463 LEU C C 463 3.750 3.750 174.868 -171.118 25679 701 1 9 . 1 1 463 463 LEU CA C 463 1.056 1.056 53.351 -52.295 25679 702 1 9 . 1 1 463 463 LEU H H 463 1.135 1.135 7.470 -6.335 25679 703 1 10 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.616 -0.457 25679 704 1 10 . 1 1 429 429 ALA H H 429 8.092 8.092 8.165 -0.073 25679 705 1 10 . 1 1 430 430 THR HA H 430 4.095 4.095 4.432 -0.337 25679 706 1 10 . 1 1 430 430 THR H H 430 8.045 8.045 8.219 -0.174 25679 707 1 10 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.390 -0.242 25679 708 1 10 . 1 1 431 431 ALA H H 431 8.170 8.170 8.230 -0.060 25679 709 1 10 . 1 1 432 432 VAL HA H 432 3.892 3.892 3.829 0.063 25679 710 1 10 . 1 1 432 432 VAL H H 432 8.039 8.039 8.557 -0.518 25679 711 1 10 . 1 1 433 433 SER HA H 433 4.294 4.294 4.648 -0.354 25679 712 1 10 . 1 1 433 433 SER H H 433 8.221 8.221 8.264 -0.043 25679 713 1 10 . 1 1 434 434 GLU HA H 434 3.987 3.987 3.923 0.064 25679 714 1 10 . 1 1 434 434 GLU H H 434 8.644 8.644 8.974 -0.330 25679 715 1 10 . 1 1 435 435 TRP HA H 435 5.114 5.114 5.499 -0.385 25679 716 1 10 . 1 1 435 435 TRP H H 435 8.059 8.059 7.900 0.159 25679 717 1 10 . 1 1 436 436 THR HA H 436 4.327 4.327 4.618 -0.291 25679 718 1 10 . 1 1 436 436 THR H H 436 9.307 9.307 9.135 0.172 25679 719 1 10 . 1 1 437 437 GLU HA H 437 4.182 4.182 5.078 -0.896 25679 720 1 10 . 1 1 437 437 GLU H H 437 8.375 8.375 8.262 0.113 25679 721 1 10 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.566 -0.197 25679 722 1 10 . 1 1 438 438 TYR H H 438 8.435 8.435 7.700 0.735 25679 723 1 10 . 1 1 439 439 LYS HA H 439 5.254 5.254 4.789 0.465 25679 724 1 10 . 1 1 439 439 LYS H H 439 8.007 8.007 8.602 -0.595 25679 725 1 10 . 1 1 440 440 THR HA H 440 4.594 4.594 4.689 -0.095 25679 726 1 10 . 1 1 440 440 THR H H 440 9.086 9.086 9.201 -0.115 25679 727 1 10 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.038 -0.073 25679 728 1 10 . 1 1 441 441 ALA H H 441 9.053 9.053 8.762 0.291 25679 729 1 10 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.513 -0.054 25679 730 1 10 . 1 1 442 442 ASP H H 442 7.879 7.879 8.102 -0.223 25679 731 1 10 . 1 1 443 443 GLY H H 443 7.816 7.816 8.608 -0.792 25679 732 1 10 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.785 -0.428 25679 733 1 10 . 1 1 444 444 LYS H H 444 7.732 7.732 7.608 0.124 25679 734 1 10 . 1 1 445 445 THR HA H 445 4.780 4.780 5.356 -0.576 25679 735 1 10 . 1 1 445 445 THR H H 445 8.542 8.542 8.425 0.117 25679 736 1 10 . 1 1 446 446 TYR HA H 446 4.480 4.480 3.980 0.500 25679 737 1 10 . 1 1 446 446 TYR H H 446 8.546 8.546 8.202 0.344 25679 738 1 10 . 1 1 447 447 TYR HA H 447 4.961 4.961 5.200 -0.239 25679 739 1 10 . 1 1 447 447 TYR H H 447 8.684 8.684 8.699 -0.015 25679 740 1 10 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.764 -0.368 25679 741 1 10 . 1 1 448 448 TYR H H 448 9.194 9.194 9.564 -0.370 25679 742 1 10 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.393 -0.350 25679 743 1 10 . 1 1 449 449 ASN H H 449 8.054 8.054 8.302 -0.248 25679 744 1 10 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.511 -0.530 25679 745 1 10 . 1 1 450 450 ASN H H 450 8.328 8.328 8.263 0.065 25679 746 1 10 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.266 -0.207 25679 747 1 10 . 1 1 451 451 ARG H H 451 8.219 8.219 8.467 -0.248 25679 748 1 10 . 1 1 452 452 THR HA H 452 3.851 3.851 4.429 -0.578 25679 749 1 10 . 1 1 452 452 THR H H 452 7.646 7.646 7.412 0.234 25679 750 1 10 . 1 1 453 453 GLU HA H 453 3.422 3.422 3.399 0.023 25679 751 1 10 . 1 1 453 453 GLU C C 453 4.135 4.135 175.067 -170.932 25679 752 1 10 . 1 1 453 453 GLU H H 453 7.729 7.729 7.903 -0.174 25679 753 1 10 . 1 1 454 454 GLU C C 454 5.829 5.829 175.421 -169.592 25679 754 1 10 . 1 1 454 454 GLU CA C 454 1.924 1.924 55.524 -53.600 25679 755 1 10 . 1 1 454 454 GLU H H 454 2.058 2.058 7.156 -5.098 25679 756 1 10 . 1 1 455 455 SER C C 455 4.621 4.621 174.100 -169.479 25679 757 1 10 . 1 1 455 455 SER H H 455 3.492 3.492 8.570 -5.078 25679 758 1 10 . 1 1 456 456 THR C C 456 4.780 4.780 173.734 -168.954 25679 759 1 10 . 1 1 456 456 THR CA C 456 0.971 0.971 60.112 -59.141 25679 760 1 10 . 1 1 456 456 THR H H 456 4.065 4.065 9.044 -4.979 25679 761 1 10 . 1 1 457 457 TRP C C 457 4.174 4.174 176.126 -171.952 25679 762 1 10 . 1 1 457 457 TRP CA C 457 2.966 2.966 56.745 -53.779 25679 763 1 10 . 1 1 457 457 TRP H H 457 3.421 3.421 8.716 -5.295 25679 764 1 10 . 1 1 458 458 GLU C C 458 2.500 2.500 175.845 -173.345 25679 765 1 10 . 1 1 458 458 GLU CA C 458 1.498 1.498 55.097 -53.599 25679 766 1 10 . 1 1 458 458 GLU H H 458 1.578 1.578 7.558 -5.980 25679 767 1 10 . 1 1 459 459 LYS C C 459 3.705 3.705 174.732 -171.027 25679 768 1 10 . 1 1 459 459 LYS CA C 459 1.155 1.155 54.516 -53.361 25679 769 1 10 . 1 1 459 459 LYS H H 459 1.242 1.242 8.508 -7.266 25679 770 1 10 . 1 1 460 460 PRO C C 460 3.566 3.566 177.008 -173.442 25679 771 1 10 . 1 1 460 460 PRO CA C 460 0.834 0.834 62.038 -61.204 25679 772 1 10 . 1 1 461 461 GLN C C 461 3.933 3.933 176.935 -173.002 25679 773 1 10 . 1 1 461 461 GLN CA C 461 1.733 1.733 58.657 -56.924 25679 774 1 10 . 1 1 461 461 GLN H H 461 1.807 1.807 8.690 -6.883 25679 775 1 10 . 1 1 462 462 GLU C C 462 4.192 4.192 176.509 -172.317 25679 776 1 10 . 1 1 462 462 GLU CA C 462 1.780 1.780 56.487 -54.707 25679 777 1 10 . 1 1 462 462 GLU H H 462 1.843 1.843 8.356 -6.513 25679 778 1 10 . 1 1 463 463 LEU C C 463 3.750 3.750 174.436 -170.686 25679 779 1 10 . 1 1 463 463 LEU CA C 463 1.056 1.056 52.837 -51.782 25679 780 1 10 . 1 1 463 463 LEU H H 463 1.135 1.135 7.434 -6.299 25679 781 1 11 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.705 -0.546 25679 782 1 11 . 1 1 429 429 ALA H H 429 8.092 8.092 8.246 -0.154 25679 783 1 11 . 1 1 430 430 THR HA H 430 4.095 4.095 4.487 -0.392 25679 784 1 11 . 1 1 430 430 THR H H 430 8.045 8.045 8.450 -0.405 25679 785 1 11 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.536 -0.388 25679 786 1 11 . 1 1 431 431 ALA H H 431 8.170 8.170 8.358 -0.188 25679 787 1 11 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.317 -0.425 25679 788 1 11 . 1 1 432 432 VAL H H 432 8.039 8.039 8.085 -0.046 25679 789 1 11 . 1 1 433 433 SER HA H 433 4.294 4.294 4.627 -0.333 25679 790 1 11 . 1 1 433 433 SER H H 433 8.221 8.221 8.501 -0.280 25679 791 1 11 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.589 -0.602 25679 792 1 11 . 1 1 434 434 GLU H H 434 8.644 8.644 8.542 0.102 25679 793 1 11 . 1 1 435 435 TRP HA H 435 5.114 5.114 5.755 -0.641 25679 794 1 11 . 1 1 435 435 TRP H H 435 8.059 8.059 7.892 0.167 25679 795 1 11 . 1 1 436 436 THR HA H 436 4.327 4.327 4.603 -0.276 25679 796 1 11 . 1 1 436 436 THR H H 436 9.307 9.307 9.175 0.132 25679 797 1 11 . 1 1 437 437 GLU HA H 437 4.182 4.182 5.006 -0.824 25679 798 1 11 . 1 1 437 437 GLU H H 437 8.375 8.375 8.314 0.061 25679 799 1 11 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.537 -0.168 25679 800 1 11 . 1 1 438 438 TYR H H 438 8.435 8.435 7.603 0.832 25679 801 1 11 . 1 1 439 439 LYS HA H 439 5.254 5.254 4.766 0.488 25679 802 1 11 . 1 1 439 439 LYS H H 439 8.007 8.007 8.579 -0.572 25679 803 1 11 . 1 1 440 440 THR HA H 440 4.594 4.594 4.682 -0.088 25679 804 1 11 . 1 1 440 440 THR H H 440 9.086 9.086 9.244 -0.158 25679 805 1 11 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.009 -0.044 25679 806 1 11 . 1 1 441 441 ALA H H 441 9.053 9.053 8.771 0.282 25679 807 1 11 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.495 -0.036 25679 808 1 11 . 1 1 442 442 ASP H H 442 7.879 7.879 8.064 -0.185 25679 809 1 11 . 1 1 443 443 GLY H H 443 7.816 7.816 8.462 -0.646 25679 810 1 11 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.794 -0.437 25679 811 1 11 . 1 1 444 444 LYS H H 444 7.732 7.732 8.362 -0.630 25679 812 1 11 . 1 1 445 445 THR HA H 445 4.780 4.780 5.341 -0.561 25679 813 1 11 . 1 1 445 445 THR H H 445 8.542 8.542 8.408 0.134 25679 814 1 11 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.177 0.303 25679 815 1 11 . 1 1 446 446 TYR H H 446 8.546 8.546 8.273 0.273 25679 816 1 11 . 1 1 447 447 TYR HA H 447 4.961 4.961 4.974 -0.013 25679 817 1 11 . 1 1 447 447 TYR H H 447 8.684 8.684 8.799 -0.115 25679 818 1 11 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.789 -0.393 25679 819 1 11 . 1 1 448 448 TYR H H 448 9.194 9.194 9.484 -0.290 25679 820 1 11 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.147 -0.104 25679 821 1 11 . 1 1 449 449 ASN H H 449 8.054 8.054 8.257 -0.203 25679 822 1 11 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.400 -0.419 25679 823 1 11 . 1 1 450 450 ASN H H 450 8.328 8.328 8.528 -0.200 25679 824 1 11 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.246 -0.187 25679 825 1 11 . 1 1 451 451 ARG H H 451 8.219 8.219 7.954 0.265 25679 826 1 11 . 1 1 452 452 THR HA H 452 3.851 3.851 4.237 -0.386 25679 827 1 11 . 1 1 452 452 THR H H 452 7.646 7.646 7.894 -0.248 25679 828 1 11 . 1 1 453 453 GLU HA H 453 3.422 3.422 3.394 0.028 25679 829 1 11 . 1 1 453 453 GLU C C 453 4.135 4.135 174.966 -170.831 25679 830 1 11 . 1 1 453 453 GLU H H 453 7.729 7.729 7.741 -0.012 25679 831 1 11 . 1 1 454 454 GLU C C 454 5.829 5.829 175.279 -169.450 25679 832 1 11 . 1 1 454 454 GLU CA C 454 1.924 1.924 55.147 -53.223 25679 833 1 11 . 1 1 454 454 GLU H H 454 2.058 2.058 7.137 -5.079 25679 834 1 11 . 1 1 455 455 SER C C 455 4.621 4.621 174.079 -169.458 25679 835 1 11 . 1 1 455 455 SER H H 455 3.492 3.492 8.641 -5.149 25679 836 1 11 . 1 1 456 456 THR C C 456 4.780 4.780 174.005 -169.225 25679 837 1 11 . 1 1 456 456 THR CA C 456 0.971 0.971 60.721 -59.750 25679 838 1 11 . 1 1 456 456 THR H H 456 4.065 4.065 9.094 -5.029 25679 839 1 11 . 1 1 457 457 TRP C C 457 4.174 4.174 176.153 -171.979 25679 840 1 11 . 1 1 457 457 TRP CA C 457 2.966 2.966 57.235 -54.269 25679 841 1 11 . 1 1 457 457 TRP H H 457 3.421 3.421 8.783 -5.362 25679 842 1 11 . 1 1 458 458 GLU C C 458 2.500 2.500 175.989 -173.489 25679 843 1 11 . 1 1 458 458 GLU CA C 458 1.498 1.498 56.230 -54.732 25679 844 1 11 . 1 1 458 458 GLU H H 458 1.578 1.578 7.716 -6.138 25679 845 1 11 . 1 1 459 459 LYS C C 459 3.705 3.705 175.031 -171.326 25679 846 1 11 . 1 1 459 459 LYS CA C 459 1.155 1.155 53.747 -52.592 25679 847 1 11 . 1 1 459 459 LYS H H 459 1.242 1.242 8.449 -7.207 25679 848 1 11 . 1 1 460 460 PRO C C 460 3.566 3.566 175.800 -172.234 25679 849 1 11 . 1 1 460 460 PRO CA C 460 0.834 0.834 62.634 -61.800 25679 850 1 11 . 1 1 461 461 GLN C C 461 3.933 3.933 177.826 -173.893 25679 851 1 11 . 1 1 461 461 GLN CA C 461 1.733 1.733 58.413 -56.679 25679 852 1 11 . 1 1 461 461 GLN H H 461 1.807 1.807 8.356 -6.549 25679 853 1 11 . 1 1 462 462 GLU C C 462 4.192 4.192 176.013 -171.821 25679 854 1 11 . 1 1 462 462 GLU CA C 462 1.780 1.780 57.833 -56.053 25679 855 1 11 . 1 1 462 462 GLU H H 462 1.843 1.843 8.281 -6.438 25679 856 1 11 . 1 1 463 463 LEU C C 463 3.750 3.750 174.699 -170.949 25679 857 1 11 . 1 1 463 463 LEU CA C 463 1.056 1.056 53.767 -52.711 25679 858 1 11 . 1 1 463 463 LEU H H 463 1.135 1.135 7.242 -6.107 25679 859 1 12 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.744 -0.585 25679 860 1 12 . 1 1 429 429 ALA H H 429 8.092 8.092 8.277 -0.185 25679 861 1 12 . 1 1 430 430 THR HA H 430 4.095 4.095 4.462 -0.367 25679 862 1 12 . 1 1 430 430 THR H H 430 8.045 8.045 8.282 -0.237 25679 863 1 12 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.296 -0.148 25679 864 1 12 . 1 1 431 431 ALA H H 431 8.170 8.170 8.350 -0.180 25679 865 1 12 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.477 -0.585 25679 866 1 12 . 1 1 432 432 VAL H H 432 8.039 8.039 7.917 0.122 25679 867 1 12 . 1 1 433 433 SER HA H 433 4.294 4.294 4.496 -0.202 25679 868 1 12 . 1 1 433 433 SER H H 433 8.221 8.221 8.181 0.040 25679 869 1 12 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.350 -0.363 25679 870 1 12 . 1 1 434 434 GLU H H 434 8.644 8.644 9.046 -0.402 25679 871 1 12 . 1 1 435 435 TRP HA H 435 5.114 5.114 5.609 -0.495 25679 872 1 12 . 1 1 435 435 TRP H H 435 8.059 8.059 7.674 0.385 25679 873 1 12 . 1 1 436 436 THR HA H 436 4.327 4.327 4.627 -0.300 25679 874 1 12 . 1 1 436 436 THR H H 436 9.307 9.307 9.193 0.114 25679 875 1 12 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.892 -0.710 25679 876 1 12 . 1 1 437 437 GLU H H 437 8.375 8.375 8.392 -0.017 25679 877 1 12 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.601 -0.232 25679 878 1 12 . 1 1 438 438 TYR H H 438 8.435 8.435 8.076 0.359 25679 879 1 12 . 1 1 439 439 LYS HA H 439 5.254 5.254 4.650 0.604 25679 880 1 12 . 1 1 439 439 LYS H H 439 8.007 8.007 8.611 -0.604 25679 881 1 12 . 1 1 440 440 THR HA H 440 4.594 4.594 4.635 -0.041 25679 882 1 12 . 1 1 440 440 THR H H 440 9.086 9.086 9.200 -0.114 25679 883 1 12 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.058 -0.093 25679 884 1 12 . 1 1 441 441 ALA H H 441 9.053 9.053 8.744 0.309 25679 885 1 12 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.494 -0.035 25679 886 1 12 . 1 1 442 442 ASP H H 442 7.879 7.879 8.016 -0.137 25679 887 1 12 . 1 1 443 443 GLY H H 443 7.816 7.816 8.567 -0.751 25679 888 1 12 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.806 -0.449 25679 889 1 12 . 1 1 444 444 LYS H H 444 7.732 7.732 8.474 -0.742 25679 890 1 12 . 1 1 445 445 THR HA H 445 4.780 4.780 5.366 -0.586 25679 891 1 12 . 1 1 445 445 THR H H 445 8.542 8.542 8.456 0.086 25679 892 1 12 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.126 0.354 25679 893 1 12 . 1 1 446 446 TYR H H 446 8.546 8.546 8.373 0.173 25679 894 1 12 . 1 1 447 447 TYR HA H 447 4.961 4.961 5.031 -0.070 25679 895 1 12 . 1 1 447 447 TYR H H 447 8.684 8.684 8.791 -0.107 25679 896 1 12 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.046 0.350 25679 897 1 12 . 1 1 448 448 TYR H H 448 9.194 9.194 9.437 -0.243 25679 898 1 12 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.045 -0.002 25679 899 1 12 . 1 1 449 449 ASN H H 449 8.054 8.054 8.291 -0.237 25679 900 1 12 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.260 -0.279 25679 901 1 12 . 1 1 450 450 ASN H H 450 8.328 8.328 8.501 -0.173 25679 902 1 12 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.210 -0.151 25679 903 1 12 . 1 1 451 451 ARG H H 451 8.219 8.219 8.117 0.102 25679 904 1 12 . 1 1 452 452 THR HA H 452 3.851 3.851 4.442 -0.591 25679 905 1 12 . 1 1 452 452 THR H H 452 7.646 7.646 7.857 -0.211 25679 906 1 12 . 1 1 453 453 GLU HA H 453 3.422 3.422 3.635 -0.213 25679 907 1 12 . 1 1 453 453 GLU C C 453 4.135 4.135 174.773 -170.638 25679 908 1 12 . 1 1 453 453 GLU H H 453 7.729 7.729 7.750 -0.021 25679 909 1 12 . 1 1 454 454 GLU C C 454 5.829 5.829 175.835 -170.006 25679 910 1 12 . 1 1 454 454 GLU CA C 454 1.924 1.924 55.840 -53.916 25679 911 1 12 . 1 1 454 454 GLU H H 454 2.058 2.058 7.393 -5.335 25679 912 1 12 . 1 1 455 455 SER C C 455 4.621 4.621 174.433 -169.812 25679 913 1 12 . 1 1 455 455 SER H H 455 3.492 3.492 8.783 -5.291 25679 914 1 12 . 1 1 456 456 THR C C 456 4.780 4.780 174.505 -169.725 25679 915 1 12 . 1 1 456 456 THR CA C 456 0.971 0.971 60.469 -59.498 25679 916 1 12 . 1 1 456 456 THR H H 456 4.065 4.065 9.029 -4.964 25679 917 1 12 . 1 1 457 457 TRP C C 457 4.174 4.174 176.253 -172.079 25679 918 1 12 . 1 1 457 457 TRP CA C 457 2.966 2.966 57.600 -54.634 25679 919 1 12 . 1 1 457 457 TRP H H 457 3.421 3.421 8.904 -5.483 25679 920 1 12 . 1 1 458 458 GLU C C 458 2.500 2.500 176.166 -173.666 25679 921 1 12 . 1 1 458 458 GLU CA C 458 1.498 1.498 56.206 -54.708 25679 922 1 12 . 1 1 458 458 GLU H H 458 1.578 1.578 7.696 -6.118 25679 923 1 12 . 1 1 459 459 LYS C C 459 3.705 3.705 174.610 -170.905 25679 924 1 12 . 1 1 459 459 LYS CA C 459 1.155 1.155 54.679 -53.524 25679 925 1 12 . 1 1 459 459 LYS H H 459 1.242 1.242 8.429 -7.187 25679 926 1 12 . 1 1 460 460 PRO C C 460 3.566 3.566 177.176 -173.610 25679 927 1 12 . 1 1 460 460 PRO CA C 460 0.834 0.834 61.733 -60.899 25679 928 1 12 . 1 1 461 461 GLN C C 461 3.933 3.933 177.024 -173.091 25679 929 1 12 . 1 1 461 461 GLN CA C 461 1.733 1.733 59.007 -57.273 25679 930 1 12 . 1 1 461 461 GLN H H 461 1.807 1.807 8.740 -6.933 25679 931 1 12 . 1 1 462 462 GLU C C 462 4.192 4.192 176.786 -172.594 25679 932 1 12 . 1 1 462 462 GLU CA C 462 1.780 1.780 56.420 -54.640 25679 933 1 12 . 1 1 462 462 GLU H H 462 1.843 1.843 8.377 -6.534 25679 934 1 12 . 1 1 463 463 LEU C C 463 3.750 3.750 175.153 -171.403 25679 935 1 12 . 1 1 463 463 LEU CA C 463 1.056 1.056 54.130 -53.074 25679 936 1 12 . 1 1 463 463 LEU H H 463 1.135 1.135 7.235 -6.100 25679 937 1 13 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.195 -0.036 25679 938 1 13 . 1 1 429 429 ALA H H 429 8.092 8.092 8.208 -0.116 25679 939 1 13 . 1 1 430 430 THR HA H 430 4.095 4.095 4.573 -0.478 25679 940 1 13 . 1 1 430 430 THR H H 430 8.045 8.045 8.045 0.000 25679 941 1 13 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.420 -0.272 25679 942 1 13 . 1 1 431 431 ALA H H 431 8.170 8.170 8.203 -0.033 25679 943 1 13 . 1 1 432 432 VAL HA H 432 3.892 3.892 3.792 0.100 25679 944 1 13 . 1 1 432 432 VAL H H 432 8.039 8.039 8.282 -0.243 25679 945 1 13 . 1 1 433 433 SER HA H 433 4.294 4.294 4.504 -0.210 25679 946 1 13 . 1 1 433 433 SER H H 433 8.221 8.221 7.952 0.269 25679 947 1 13 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.213 -0.227 25679 948 1 13 . 1 1 434 434 GLU H H 434 8.644 8.644 9.028 -0.384 25679 949 1 13 . 1 1 435 435 TRP HA H 435 5.114 5.114 5.565 -0.451 25679 950 1 13 . 1 1 435 435 TRP H H 435 8.059 8.059 7.735 0.324 25679 951 1 13 . 1 1 436 436 THR HA H 436 4.327 4.327 4.684 -0.357 25679 952 1 13 . 1 1 436 436 THR H H 436 9.307 9.307 8.900 0.407 25679 953 1 13 . 1 1 437 437 GLU HA H 437 4.182 4.182 5.071 -0.889 25679 954 1 13 . 1 1 437 437 GLU H H 437 8.375 8.375 8.401 -0.026 25679 955 1 13 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.596 -0.227 25679 956 1 13 . 1 1 438 438 TYR H H 438 8.435 8.435 7.842 0.593 25679 957 1 13 . 1 1 439 439 LYS HA H 439 5.254 5.254 4.725 0.529 25679 958 1 13 . 1 1 439 439 LYS H H 439 8.007 8.007 8.675 -0.668 25679 959 1 13 . 1 1 440 440 THR HA H 440 4.594 4.594 4.692 -0.098 25679 960 1 13 . 1 1 440 440 THR H H 440 9.086 9.086 9.116 -0.030 25679 961 1 13 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.087 -0.122 25679 962 1 13 . 1 1 441 441 ALA H H 441 9.053 9.053 8.785 0.268 25679 963 1 13 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.547 -0.088 25679 964 1 13 . 1 1 442 442 ASP H H 442 7.879 7.879 7.694 0.185 25679 965 1 13 . 1 1 443 443 GLY H H 443 7.816 7.816 8.644 -0.828 25679 966 1 13 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.802 -0.445 25679 967 1 13 . 1 1 444 444 LYS H H 444 7.732 7.732 8.164 -0.432 25679 968 1 13 . 1 1 445 445 THR HA H 445 4.780 4.780 5.495 -0.715 25679 969 1 13 . 1 1 445 445 THR H H 445 8.542 8.542 8.465 0.077 25679 970 1 13 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.191 0.289 25679 971 1 13 . 1 1 446 446 TYR H H 446 8.546 8.546 8.241 0.305 25679 972 1 13 . 1 1 447 447 TYR HA H 447 4.961 4.961 4.973 -0.012 25679 973 1 13 . 1 1 447 447 TYR H H 447 8.684 8.684 8.845 -0.161 25679 974 1 13 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.664 -0.268 25679 975 1 13 . 1 1 448 448 TYR H H 448 9.194 9.194 9.465 -0.271 25679 976 1 13 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.286 -0.243 25679 977 1 13 . 1 1 449 449 ASN H H 449 8.054 8.054 8.331 -0.277 25679 978 1 13 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.329 -0.348 25679 979 1 13 . 1 1 450 450 ASN H H 450 8.328 8.328 8.210 0.118 25679 980 1 13 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.167 -0.108 25679 981 1 13 . 1 1 451 451 ARG H H 451 8.219 8.219 7.887 0.332 25679 982 1 13 . 1 1 452 452 THR HA H 452 3.851 3.851 4.306 -0.455 25679 983 1 13 . 1 1 452 452 THR H H 452 7.646 7.646 8.006 -0.360 25679 984 1 13 . 1 1 453 453 GLU HA H 453 3.422 3.422 3.487 -0.065 25679 985 1 13 . 1 1 453 453 GLU C C 453 4.135 4.135 174.844 -170.709 25679 986 1 13 . 1 1 453 453 GLU H H 453 7.729 7.729 7.766 -0.037 25679 987 1 13 . 1 1 454 454 GLU C C 454 5.829 5.829 175.428 -169.599 25679 988 1 13 . 1 1 454 454 GLU CA C 454 1.924 1.924 55.395 -53.471 25679 989 1 13 . 1 1 454 454 GLU H H 454 2.058 2.058 7.235 -5.177 25679 990 1 13 . 1 1 455 455 SER C C 455 4.621 4.621 174.130 -169.509 25679 991 1 13 . 1 1 455 455 SER H H 455 3.492 3.492 8.594 -5.102 25679 992 1 13 . 1 1 456 456 THR C C 456 4.780 4.780 173.575 -168.795 25679 993 1 13 . 1 1 456 456 THR CA C 456 0.971 0.971 60.293 -59.322 25679 994 1 13 . 1 1 456 456 THR H H 456 4.065 4.065 9.117 -5.052 25679 995 1 13 . 1 1 457 457 TRP C C 457 4.174 4.174 176.084 -171.910 25679 996 1 13 . 1 1 457 457 TRP CA C 457 2.966 2.966 56.705 -53.739 25679 997 1 13 . 1 1 457 457 TRP H H 457 3.421 3.421 8.714 -5.293 25679 998 1 13 . 1 1 458 458 GLU C C 458 2.500 2.500 175.948 -173.448 25679 999 1 13 . 1 1 458 458 GLU CA C 458 1.498 1.498 54.974 -53.475 25679 1000 1 13 . 1 1 458 458 GLU H H 458 1.578 1.578 7.620 -6.042 25679 1001 1 13 . 1 1 459 459 LYS C C 459 3.705 3.705 174.771 -171.066 25679 1002 1 13 . 1 1 459 459 LYS CA C 459 1.155 1.155 54.609 -53.454 25679 1003 1 13 . 1 1 459 459 LYS H H 459 1.242 1.242 8.434 -7.192 25679 1004 1 13 . 1 1 460 460 PRO C C 460 3.566 3.566 176.707 -173.141 25679 1005 1 13 . 1 1 460 460 PRO CA C 460 0.834 0.834 62.254 -61.420 25679 1006 1 13 . 1 1 461 461 GLN C C 461 3.933 3.933 177.316 -173.383 25679 1007 1 13 . 1 1 461 461 GLN CA C 461 1.733 1.733 58.499 -56.766 25679 1008 1 13 . 1 1 461 461 GLN H H 461 1.807 1.807 8.640 -6.833 25679 1009 1 13 . 1 1 462 462 GLU C C 462 4.192 4.192 176.847 -172.655 25679 1010 1 13 . 1 1 462 462 GLU CA C 462 1.780 1.780 57.547 -55.767 25679 1011 1 13 . 1 1 462 462 GLU H H 462 1.843 1.843 8.447 -6.604 25679 1012 1 13 . 1 1 463 463 LEU C C 463 3.750 3.750 175.675 -171.925 25679 1013 1 13 . 1 1 463 463 LEU CA C 463 1.056 1.056 53.734 -52.678 25679 1014 1 13 . 1 1 463 463 LEU H H 463 1.135 1.135 7.489 -6.354 25679 1015 1 14 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.675 -0.516 25679 1016 1 14 . 1 1 429 429 ALA H H 429 8.092 8.092 8.278 -0.186 25679 1017 1 14 . 1 1 430 430 THR HA H 430 4.095 4.095 4.242 -0.147 25679 1018 1 14 . 1 1 430 430 THR H H 430 8.045 8.045 8.356 -0.311 25679 1019 1 14 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.012 0.136 25679 1020 1 14 . 1 1 431 431 ALA H H 431 8.170 8.170 8.449 -0.279 25679 1021 1 14 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.184 -0.292 25679 1022 1 14 . 1 1 432 432 VAL H H 432 8.039 8.039 7.787 0.252 25679 1023 1 14 . 1 1 433 433 SER HA H 433 4.294 4.294 4.265 0.029 25679 1024 1 14 . 1 1 433 433 SER H H 433 8.221 8.221 8.581 -0.360 25679 1025 1 14 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.200 -0.213 25679 1026 1 14 . 1 1 434 434 GLU H H 434 8.644 8.644 8.901 -0.257 25679 1027 1 14 . 1 1 435 435 TRP HA H 435 5.114 5.114 5.556 -0.442 25679 1028 1 14 . 1 1 435 435 TRP H H 435 8.059 8.059 7.806 0.253 25679 1029 1 14 . 1 1 436 436 THR HA H 436 4.327 4.327 4.593 -0.266 25679 1030 1 14 . 1 1 436 436 THR H H 436 9.307 9.307 9.125 0.182 25679 1031 1 14 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.902 -0.720 25679 1032 1 14 . 1 1 437 437 GLU H H 437 8.375 8.375 8.474 -0.099 25679 1033 1 14 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.554 -0.185 25679 1034 1 14 . 1 1 438 438 TYR H H 438 8.435 8.435 8.324 0.111 25679 1035 1 14 . 1 1 439 439 LYS HA H 439 5.254 5.254 4.773 0.481 25679 1036 1 14 . 1 1 439 439 LYS H H 439 8.007 8.007 8.710 -0.703 25679 1037 1 14 . 1 1 440 440 THR HA H 440 4.594 4.594 4.731 -0.137 25679 1038 1 14 . 1 1 440 440 THR H H 440 9.086 9.086 9.167 -0.081 25679 1039 1 14 . 1 1 441 441 ALA HA H 441 3.965 3.965 3.942 0.023 25679 1040 1 14 . 1 1 441 441 ALA H H 441 9.053 9.053 8.825 0.228 25679 1041 1 14 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.486 -0.027 25679 1042 1 14 . 1 1 442 442 ASP H H 442 7.879 7.879 8.051 -0.172 25679 1043 1 14 . 1 1 443 443 GLY H H 443 7.816 7.816 8.612 -0.796 25679 1044 1 14 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.781 -0.424 25679 1045 1 14 . 1 1 444 444 LYS H H 444 7.732 7.732 7.674 0.058 25679 1046 1 14 . 1 1 445 445 THR HA H 445 4.780 4.780 5.356 -0.576 25679 1047 1 14 . 1 1 445 445 THR H H 445 8.542 8.542 8.468 0.074 25679 1048 1 14 . 1 1 446 446 TYR HA H 446 4.480 4.480 3.987 0.493 25679 1049 1 14 . 1 1 446 446 TYR H H 446 8.546 8.546 8.525 0.020 25679 1050 1 14 . 1 1 447 447 TYR HA H 447 4.961 4.961 5.318 -0.357 25679 1051 1 14 . 1 1 447 447 TYR H H 447 8.684 8.684 8.685 -0.001 25679 1052 1 14 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.442 -0.046 25679 1053 1 14 . 1 1 448 448 TYR H H 448 9.194 9.194 9.538 -0.344 25679 1054 1 14 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.111 -0.068 25679 1055 1 14 . 1 1 449 449 ASN H H 449 8.054 8.054 8.088 -0.034 25679 1056 1 14 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.304 -0.323 25679 1057 1 14 . 1 1 450 450 ASN H H 450 8.328 8.328 8.311 0.017 25679 1058 1 14 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.084 -0.025 25679 1059 1 14 . 1 1 451 451 ARG H H 451 8.219 8.219 8.439 -0.220 25679 1060 1 14 . 1 1 452 452 THR HA H 452 3.851 3.851 4.312 -0.461 25679 1061 1 14 . 1 1 452 452 THR H H 452 7.646 7.646 8.069 -0.423 25679 1062 1 14 . 1 1 453 453 GLU HA H 453 3.422 3.422 3.482 -0.060 25679 1063 1 14 . 1 1 453 453 GLU C C 453 4.135 4.135 174.630 -170.495 25679 1064 1 14 . 1 1 453 453 GLU H H 453 7.729 7.729 7.729 0.000 25679 1065 1 14 . 1 1 454 454 GLU C C 454 5.829 5.829 175.592 -169.763 25679 1066 1 14 . 1 1 454 454 GLU CA C 454 1.924 1.924 55.460 -53.536 25679 1067 1 14 . 1 1 454 454 GLU H H 454 2.058 2.058 7.183 -5.125 25679 1068 1 14 . 1 1 455 455 SER C C 455 4.621 4.621 174.436 -169.815 25679 1069 1 14 . 1 1 455 455 SER H H 455 3.492 3.492 8.737 -5.245 25679 1070 1 14 . 1 1 456 456 THR C C 456 4.780 4.780 173.856 -169.076 25679 1071 1 14 . 1 1 456 456 THR CA C 456 0.971 0.971 60.974 -60.003 25679 1072 1 14 . 1 1 456 456 THR H H 456 4.065 4.065 9.264 -5.199 25679 1073 1 14 . 1 1 457 457 TRP C C 457 4.174 4.174 176.159 -171.985 25679 1074 1 14 . 1 1 457 457 TRP CA C 457 2.966 2.966 57.437 -54.471 25679 1075 1 14 . 1 1 457 457 TRP H H 457 3.421 3.421 8.756 -5.335 25679 1076 1 14 . 1 1 458 458 GLU C C 458 2.500 2.500 176.179 -173.679 25679 1077 1 14 . 1 1 458 458 GLU CA C 458 1.498 1.498 55.556 -54.058 25679 1078 1 14 . 1 1 458 458 GLU H H 458 1.578 1.578 7.591 -6.013 25679 1079 1 14 . 1 1 459 459 LYS C C 459 3.705 3.705 174.839 -171.134 25679 1080 1 14 . 1 1 459 459 LYS CA C 459 1.155 1.155 54.800 -53.645 25679 1081 1 14 . 1 1 459 459 LYS H H 459 1.242 1.242 8.444 -7.202 25679 1082 1 14 . 1 1 460 460 PRO C C 460 3.566 3.566 176.828 -173.262 25679 1083 1 14 . 1 1 460 460 PRO CA C 460 0.834 0.834 62.190 -61.356 25679 1084 1 14 . 1 1 461 461 GLN C C 461 3.933 3.933 177.278 -173.345 25679 1085 1 14 . 1 1 461 461 GLN CA C 461 1.733 1.733 58.916 -57.183 25679 1086 1 14 . 1 1 461 461 GLN H H 461 1.807 1.807 8.594 -6.787 25679 1087 1 14 . 1 1 462 462 GLU C C 462 4.192 4.192 176.494 -172.302 25679 1088 1 14 . 1 1 462 462 GLU CA C 462 1.780 1.780 57.441 -55.661 25679 1089 1 14 . 1 1 462 462 GLU H H 462 1.843 1.843 8.731 -6.888 25679 1090 1 14 . 1 1 463 463 LEU C C 463 3.750 3.750 174.962 -171.212 25679 1091 1 14 . 1 1 463 463 LEU CA C 463 1.056 1.056 53.661 -52.605 25679 1092 1 14 . 1 1 463 463 LEU H H 463 1.135 1.135 7.176 -6.041 25679 1093 1 15 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.480 -0.321 25679 1094 1 15 . 1 1 429 429 ALA H H 429 8.092 8.092 8.106 -0.014 25679 1095 1 15 . 1 1 430 430 THR HA H 430 4.095 4.095 4.545 -0.450 25679 1096 1 15 . 1 1 430 430 THR H H 430 8.045 8.045 8.185 -0.140 25679 1097 1 15 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.467 -0.319 25679 1098 1 15 . 1 1 431 431 ALA H H 431 8.170 8.170 8.527 -0.357 25679 1099 1 15 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.383 -0.491 25679 1100 1 15 . 1 1 432 432 VAL H H 432 8.039 8.039 8.433 -0.394 25679 1101 1 15 . 1 1 433 433 SER HA H 433 4.294 4.294 4.815 -0.521 25679 1102 1 15 . 1 1 433 433 SER H H 433 8.221 8.221 8.180 0.041 25679 1103 1 15 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.472 -0.485 25679 1104 1 15 . 1 1 434 434 GLU H H 434 8.644 8.644 9.654 -1.010 25679 1105 1 15 . 1 1 435 435 TRP HA H 435 5.114 5.114 5.817 -0.703 25679 1106 1 15 . 1 1 435 435 TRP H H 435 8.059 8.059 7.721 0.338 25679 1107 1 15 . 1 1 436 436 THR HA H 436 4.327 4.327 4.713 -0.386 25679 1108 1 15 . 1 1 436 436 THR H H 436 9.307 9.307 9.070 0.237 25679 1109 1 15 . 1 1 437 437 GLU HA H 437 4.182 4.182 5.190 -1.008 25679 1110 1 15 . 1 1 437 437 GLU H H 437 8.375 8.375 8.334 0.041 25679 1111 1 15 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.589 -0.220 25679 1112 1 15 . 1 1 438 438 TYR H H 438 8.435 8.435 7.750 0.685 25679 1113 1 15 . 1 1 439 439 LYS HA H 439 5.254 5.254 4.788 0.466 25679 1114 1 15 . 1 1 439 439 LYS H H 439 8.007 8.007 8.644 -0.637 25679 1115 1 15 . 1 1 440 440 THR HA H 440 4.594 4.594 4.705 -0.111 25679 1116 1 15 . 1 1 440 440 THR H H 440 9.086 9.086 9.222 -0.136 25679 1117 1 15 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.109 -0.144 25679 1118 1 15 . 1 1 441 441 ALA H H 441 9.053 9.053 8.789 0.264 25679 1119 1 15 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.500 -0.041 25679 1120 1 15 . 1 1 442 442 ASP H H 442 7.879 7.879 7.994 -0.115 25679 1121 1 15 . 1 1 443 443 GLY H H 443 7.816 7.816 8.365 -0.549 25679 1122 1 15 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.775 -0.418 25679 1123 1 15 . 1 1 444 444 LYS H H 444 7.732 7.732 8.363 -0.631 25679 1124 1 15 . 1 1 445 445 THR HA H 445 4.780 4.780 5.461 -0.681 25679 1125 1 15 . 1 1 445 445 THR H H 445 8.542 8.542 8.510 0.032 25679 1126 1 15 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.017 0.463 25679 1127 1 15 . 1 1 446 446 TYR H H 446 8.546 8.546 8.181 0.365 25679 1128 1 15 . 1 1 447 447 TYR HA H 447 4.961 4.961 5.184 -0.223 25679 1129 1 15 . 1 1 447 447 TYR H H 447 8.684 8.684 8.739 -0.055 25679 1130 1 15 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.745 -0.349 25679 1131 1 15 . 1 1 448 448 TYR H H 448 9.194 9.194 9.545 -0.351 25679 1132 1 15 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.349 -0.306 25679 1133 1 15 . 1 1 449 449 ASN H H 449 8.054 8.054 8.280 -0.226 25679 1134 1 15 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.408 -0.427 25679 1135 1 15 . 1 1 450 450 ASN H H 450 8.328 8.328 8.665 -0.337 25679 1136 1 15 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.206 -0.147 25679 1137 1 15 . 1 1 451 451 ARG H H 451 8.219 8.219 7.778 0.441 25679 1138 1 15 . 1 1 452 452 THR HA H 452 3.851 3.851 4.289 -0.438 25679 1139 1 15 . 1 1 452 452 THR H H 452 7.646 7.646 7.847 -0.201 25679 1140 1 15 . 1 1 453 453 GLU HA H 453 3.422 3.422 3.468 -0.046 25679 1141 1 15 . 1 1 453 453 GLU C C 453 4.135 4.135 174.666 -170.531 25679 1142 1 15 . 1 1 453 453 GLU H H 453 7.729 7.729 7.791 -0.062 25679 1143 1 15 . 1 1 454 454 GLU C C 454 5.829 5.829 175.278 -169.449 25679 1144 1 15 . 1 1 454 454 GLU CA C 454 1.924 1.924 55.250 -53.326 25679 1145 1 15 . 1 1 454 454 GLU H H 454 2.058 2.058 7.183 -5.125 25679 1146 1 15 . 1 1 455 455 SER C C 455 4.621 4.621 173.939 -169.318 25679 1147 1 15 . 1 1 455 455 SER H H 455 3.492 3.492 8.586 -5.094 25679 1148 1 15 . 1 1 456 456 THR C C 456 4.780 4.780 173.894 -169.114 25679 1149 1 15 . 1 1 456 456 THR CA C 456 0.971 0.971 60.017 -59.046 25679 1150 1 15 . 1 1 456 456 THR H H 456 4.065 4.065 9.220 -5.155 25679 1151 1 15 . 1 1 457 457 TRP C C 457 4.174 4.174 176.114 -171.940 25679 1152 1 15 . 1 1 457 457 TRP CA C 457 2.966 2.966 56.900 -53.934 25679 1153 1 15 . 1 1 457 457 TRP H H 457 3.421 3.421 8.817 -5.396 25679 1154 1 15 . 1 1 458 458 GLU C C 458 2.500 2.500 175.744 -173.244 25679 1155 1 15 . 1 1 458 458 GLU CA C 458 1.498 1.498 55.445 -53.947 25679 1156 1 15 . 1 1 458 458 GLU H H 458 1.578 1.578 7.570 -5.992 25679 1157 1 15 . 1 1 459 459 LYS C C 459 3.705 3.705 174.783 -171.078 25679 1158 1 15 . 1 1 459 459 LYS CA C 459 1.155 1.155 53.706 -52.551 25679 1159 1 15 . 1 1 459 459 LYS H H 459 1.242 1.242 8.428 -7.186 25679 1160 1 15 . 1 1 460 460 PRO C C 460 3.566 3.566 177.483 -173.917 25679 1161 1 15 . 1 1 460 460 PRO CA C 460 0.834 0.834 62.384 -61.550 25679 1162 1 15 . 1 1 461 461 GLN C C 461 3.933 3.933 177.536 -173.603 25679 1163 1 15 . 1 1 461 461 GLN CA C 461 1.733 1.733 58.790 -57.057 25679 1164 1 15 . 1 1 461 461 GLN H H 461 1.807 1.807 8.583 -6.776 25679 1165 1 15 . 1 1 462 462 GLU C C 462 4.192 4.192 176.600 -172.408 25679 1166 1 15 . 1 1 462 462 GLU CA C 462 1.780 1.780 57.546 -55.766 25679 1167 1 15 . 1 1 462 462 GLU H H 462 1.843 1.843 8.496 -6.653 25679 1168 1 15 . 1 1 463 463 LEU C C 463 3.750 3.750 175.217 -171.467 25679 1169 1 15 . 1 1 463 463 LEU CA C 463 1.056 1.056 54.417 -53.361 25679 1170 1 15 . 1 1 463 463 LEU H H 463 1.135 1.135 7.578 -6.443 25679 1171 1 16 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.783 -0.624 25679 1172 1 16 . 1 1 429 429 ALA H H 429 8.092 8.092 7.918 0.174 25679 1173 1 16 . 1 1 430 430 THR HA H 430 4.095 4.095 4.374 -0.279 25679 1174 1 16 . 1 1 430 430 THR H H 430 8.045 8.045 8.494 -0.449 25679 1175 1 16 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.585 -0.437 25679 1176 1 16 . 1 1 431 431 ALA H H 431 8.170 8.170 8.616 -0.446 25679 1177 1 16 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.117 -0.225 25679 1178 1 16 . 1 1 432 432 VAL H H 432 8.039 8.039 8.508 -0.469 25679 1179 1 16 . 1 1 433 433 SER HA H 433 4.294 4.294 4.991 -0.697 25679 1180 1 16 . 1 1 433 433 SER H H 433 8.221 8.221 8.185 0.036 25679 1181 1 16 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.396 -0.409 25679 1182 1 16 . 1 1 434 434 GLU H H 434 8.644 8.644 9.308 -0.664 25679 1183 1 16 . 1 1 435 435 TRP HA H 435 5.114 5.114 5.558 -0.444 25679 1184 1 16 . 1 1 435 435 TRP H H 435 8.059 8.059 7.489 0.570 25679 1185 1 16 . 1 1 436 436 THR HA H 436 4.327 4.327 4.703 -0.376 25679 1186 1 16 . 1 1 436 436 THR H H 436 9.307 9.307 8.813 0.494 25679 1187 1 16 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.982 -0.800 25679 1188 1 16 . 1 1 437 437 GLU H H 437 8.375 8.375 8.386 -0.011 25679 1189 1 16 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.583 -0.214 25679 1190 1 16 . 1 1 438 438 TYR H H 438 8.435 8.435 7.698 0.737 25679 1191 1 16 . 1 1 439 439 LYS HA H 439 5.254 5.254 4.662 0.592 25679 1192 1 16 . 1 1 439 439 LYS H H 439 8.007 8.007 8.579 -0.572 25679 1193 1 16 . 1 1 440 440 THR HA H 440 4.594 4.594 4.655 -0.061 25679 1194 1 16 . 1 1 440 440 THR H H 440 9.086 9.086 9.236 -0.150 25679 1195 1 16 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.122 -0.157 25679 1196 1 16 . 1 1 441 441 ALA H H 441 9.053 9.053 8.765 0.288 25679 1197 1 16 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.507 -0.048 25679 1198 1 16 . 1 1 442 442 ASP H H 442 7.879 7.879 7.962 -0.083 25679 1199 1 16 . 1 1 443 443 GLY H H 443 7.816 7.816 8.570 -0.754 25679 1200 1 16 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.792 -0.435 25679 1201 1 16 . 1 1 444 444 LYS H H 444 7.732 7.732 8.447 -0.715 25679 1202 1 16 . 1 1 445 445 THR HA H 445 4.780 4.780 5.312 -0.532 25679 1203 1 16 . 1 1 445 445 THR H H 445 8.542 8.542 8.462 0.080 25679 1204 1 16 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.066 0.414 25679 1205 1 16 . 1 1 446 446 TYR H H 446 8.546 8.546 8.189 0.357 25679 1206 1 16 . 1 1 447 447 TYR HA H 447 4.961 4.961 5.085 -0.124 25679 1207 1 16 . 1 1 447 447 TYR H H 447 8.684 8.684 8.780 -0.096 25679 1208 1 16 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.627 -0.231 25679 1209 1 16 . 1 1 448 448 TYR H H 448 9.194 9.194 9.443 -0.249 25679 1210 1 16 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.145 -0.102 25679 1211 1 16 . 1 1 449 449 ASN H H 449 8.054 8.054 8.458 -0.404 25679 1212 1 16 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.367 -0.386 25679 1213 1 16 . 1 1 450 450 ASN H H 450 8.328 8.328 8.177 0.151 25679 1214 1 16 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.279 -0.220 25679 1215 1 16 . 1 1 451 451 ARG H H 451 8.219 8.219 8.095 0.124 25679 1216 1 16 . 1 1 452 452 THR HA H 452 3.851 3.851 4.274 -0.423 25679 1217 1 16 . 1 1 452 452 THR H H 452 7.646 7.646 7.932 -0.286 25679 1218 1 16 . 1 1 453 453 GLU HA H 453 3.422 3.422 3.633 -0.211 25679 1219 1 16 . 1 1 453 453 GLU C C 453 4.135 4.135 174.691 -170.556 25679 1220 1 16 . 1 1 453 453 GLU H H 453 7.729 7.729 7.717 0.012 25679 1221 1 16 . 1 1 454 454 GLU C C 454 5.829 5.829 175.354 -169.525 25679 1222 1 16 . 1 1 454 454 GLU CA C 454 1.924 1.924 55.082 -53.158 25679 1223 1 16 . 1 1 454 454 GLU H H 454 2.058 2.058 7.167 -5.109 25679 1224 1 16 . 1 1 455 455 SER C C 455 4.621 4.621 174.248 -169.627 25679 1225 1 16 . 1 1 455 455 SER H H 455 3.492 3.492 8.739 -5.247 25679 1226 1 16 . 1 1 456 456 THR C C 456 4.780 4.780 174.343 -169.563 25679 1227 1 16 . 1 1 456 456 THR CA C 456 0.971 0.971 59.928 -58.957 25679 1228 1 16 . 1 1 456 456 THR H H 456 4.065 4.065 9.070 -5.005 25679 1229 1 16 . 1 1 457 457 TRP C C 457 4.174 4.174 176.152 -171.978 25679 1230 1 16 . 1 1 457 457 TRP CA C 457 2.966 2.966 57.325 -54.359 25679 1231 1 16 . 1 1 457 457 TRP H H 457 3.421 3.421 8.829 -5.408 25679 1232 1 16 . 1 1 458 458 GLU C C 458 2.500 2.500 175.979 -173.479 25679 1233 1 16 . 1 1 458 458 GLU CA C 458 1.498 1.498 55.874 -54.377 25679 1234 1 16 . 1 1 458 458 GLU H H 458 1.578 1.578 7.594 -6.016 25679 1235 1 16 . 1 1 459 459 LYS C C 459 3.705 3.705 174.808 -171.103 25679 1236 1 16 . 1 1 459 459 LYS CA C 459 1.155 1.155 54.041 -52.886 25679 1237 1 16 . 1 1 459 459 LYS H H 459 1.242 1.242 8.450 -7.208 25679 1238 1 16 . 1 1 460 460 PRO C C 460 3.566 3.566 176.814 -173.248 25679 1239 1 16 . 1 1 460 460 PRO CA C 460 0.834 0.834 62.901 -62.066 25679 1240 1 16 . 1 1 461 461 GLN C C 461 3.933 3.933 176.976 -173.043 25679 1241 1 16 . 1 1 461 461 GLN CA C 461 1.733 1.733 58.590 -56.857 25679 1242 1 16 . 1 1 461 461 GLN H H 461 1.807 1.807 8.530 -6.723 25679 1243 1 16 . 1 1 462 462 GLU C C 462 4.192 4.192 176.115 -171.923 25679 1244 1 16 . 1 1 462 462 GLU CA C 462 1.780 1.780 56.644 -54.864 25679 1245 1 16 . 1 1 462 462 GLU H H 462 1.843 1.843 8.449 -6.606 25679 1246 1 16 . 1 1 463 463 LEU C C 463 3.750 3.750 176.048 -172.298 25679 1247 1 16 . 1 1 463 463 LEU CA C 463 1.056 1.056 55.134 -54.078 25679 1248 1 16 . 1 1 463 463 LEU H H 463 1.135 1.135 7.784 -6.649 25679 1249 1 17 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.178 -0.019 25679 1250 1 17 . 1 1 429 429 ALA H H 429 8.092 8.092 8.455 -0.363 25679 1251 1 17 . 1 1 430 430 THR HA H 430 4.095 4.095 4.040 0.055 25679 1252 1 17 . 1 1 430 430 THR H H 430 8.045 8.045 8.438 -0.393 25679 1253 1 17 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.699 -0.551 25679 1254 1 17 . 1 1 431 431 ALA H H 431 8.170 8.170 7.736 0.434 25679 1255 1 17 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.142 -0.250 25679 1256 1 17 . 1 1 432 432 VAL H H 432 8.039 8.039 8.181 -0.142 25679 1257 1 17 . 1 1 433 433 SER HA H 433 4.294 4.294 4.348 -0.054 25679 1258 1 17 . 1 1 433 433 SER H H 433 8.221 8.221 8.331 -0.110 25679 1259 1 17 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.129 -0.142 25679 1260 1 17 . 1 1 434 434 GLU H H 434 8.644 8.644 9.079 -0.435 25679 1261 1 17 . 1 1 435 435 TRP HA H 435 5.114 5.114 5.688 -0.574 25679 1262 1 17 . 1 1 435 435 TRP H H 435 8.059 8.059 7.567 0.492 25679 1263 1 17 . 1 1 436 436 THR HA H 436 4.327 4.327 4.587 -0.260 25679 1264 1 17 . 1 1 436 436 THR H H 436 9.307 9.307 8.986 0.321 25679 1265 1 17 . 1 1 437 437 GLU HA H 437 4.182 4.182 5.141 -0.959 25679 1266 1 17 . 1 1 437 437 GLU H H 437 8.375 8.375 8.299 0.076 25679 1267 1 17 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.575 -0.206 25679 1268 1 17 . 1 1 438 438 TYR H H 438 8.435 8.435 7.811 0.624 25679 1269 1 17 . 1 1 439 439 LYS HA H 439 5.254 5.254 4.750 0.504 25679 1270 1 17 . 1 1 439 439 LYS H H 439 8.007 8.007 8.656 -0.649 25679 1271 1 17 . 1 1 440 440 THR HA H 440 4.594 4.594 4.719 -0.125 25679 1272 1 17 . 1 1 440 440 THR H H 440 9.086 9.086 9.150 -0.064 25679 1273 1 17 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.094 -0.129 25679 1274 1 17 . 1 1 441 441 ALA H H 441 9.053 9.053 8.784 0.269 25679 1275 1 17 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.523 -0.064 25679 1276 1 17 . 1 1 442 442 ASP H H 442 7.879 7.879 8.007 -0.128 25679 1277 1 17 . 1 1 443 443 GLY H H 443 7.816 7.816 8.586 -0.770 25679 1278 1 17 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.802 -0.445 25679 1279 1 17 . 1 1 444 444 LYS H H 444 7.732 7.732 7.688 0.044 25679 1280 1 17 . 1 1 445 445 THR HA H 445 4.780 4.780 5.392 -0.612 25679 1281 1 17 . 1 1 445 445 THR H H 445 8.542 8.542 8.461 0.081 25679 1282 1 17 . 1 1 446 446 TYR HA H 446 4.480 4.480 3.900 0.580 25679 1283 1 17 . 1 1 446 446 TYR H H 446 8.546 8.546 8.219 0.327 25679 1284 1 17 . 1 1 447 447 TYR HA H 447 4.961 4.961 5.498 -0.537 25679 1285 1 17 . 1 1 447 447 TYR H H 447 8.684 8.684 8.623 0.061 25679 1286 1 17 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.445 -0.049 25679 1287 1 17 . 1 1 448 448 TYR H H 448 9.194 9.194 9.558 -0.364 25679 1288 1 17 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.175 -0.132 25679 1289 1 17 . 1 1 449 449 ASN H H 449 8.054 8.054 8.313 -0.259 25679 1290 1 17 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.313 -0.332 25679 1291 1 17 . 1 1 450 450 ASN H H 450 8.328 8.328 8.180 0.148 25679 1292 1 17 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.263 -0.204 25679 1293 1 17 . 1 1 451 451 ARG H H 451 8.219 8.219 8.132 0.087 25679 1294 1 17 . 1 1 452 452 THR HA H 452 3.851 3.851 4.461 -0.610 25679 1295 1 17 . 1 1 452 452 THR H H 452 7.646 7.646 7.544 0.102 25679 1296 1 17 . 1 1 453 453 GLU HA H 453 3.422 3.422 3.547 -0.125 25679 1297 1 17 . 1 1 453 453 GLU C C 453 4.135 4.135 174.954 -170.819 25679 1298 1 17 . 1 1 453 453 GLU H H 453 7.729 7.729 7.974 -0.245 25679 1299 1 17 . 1 1 454 454 GLU C C 454 5.829 5.829 175.542 -169.713 25679 1300 1 17 . 1 1 454 454 GLU CA C 454 1.924 1.924 55.592 -53.668 25679 1301 1 17 . 1 1 454 454 GLU H H 454 2.058 2.058 7.299 -5.241 25679 1302 1 17 . 1 1 455 455 SER C C 455 4.621 4.621 174.241 -169.620 25679 1303 1 17 . 1 1 455 455 SER H H 455 3.492 3.492 8.795 -5.303 25679 1304 1 17 . 1 1 456 456 THR C C 456 4.780 4.780 173.875 -169.095 25679 1305 1 17 . 1 1 456 456 THR CA C 456 0.971 0.971 60.451 -59.480 25679 1306 1 17 . 1 1 456 456 THR H H 456 4.065 4.065 9.196 -5.131 25679 1307 1 17 . 1 1 457 457 TRP C C 457 4.174 4.174 176.190 -172.016 25679 1308 1 17 . 1 1 457 457 TRP CA C 457 2.966 2.966 57.349 -54.383 25679 1309 1 17 . 1 1 457 457 TRP H H 457 3.421 3.421 8.673 -5.252 25679 1310 1 17 . 1 1 458 458 GLU C C 458 2.500 2.500 176.131 -173.631 25679 1311 1 17 . 1 1 458 458 GLU CA C 458 1.498 1.498 55.933 -54.435 25679 1312 1 17 . 1 1 458 458 GLU H H 458 1.578 1.578 7.644 -6.066 25679 1313 1 17 . 1 1 459 459 LYS C C 459 3.705 3.705 174.704 -170.999 25679 1314 1 17 . 1 1 459 459 LYS CA C 459 1.155 1.155 55.002 -53.846 25679 1315 1 17 . 1 1 459 459 LYS H H 459 1.242 1.242 8.405 -7.163 25679 1316 1 17 . 1 1 460 460 PRO C C 460 3.566 3.566 177.132 -173.566 25679 1317 1 17 . 1 1 460 460 PRO CA C 460 0.834 0.834 62.133 -61.299 25679 1318 1 17 . 1 1 461 461 GLN C C 461 3.933 3.933 177.107 -173.174 25679 1319 1 17 . 1 1 461 461 GLN CA C 461 1.733 1.733 59.259 -57.526 25679 1320 1 17 . 1 1 461 461 GLN H H 461 1.807 1.807 8.631 -6.824 25679 1321 1 17 . 1 1 462 462 GLU C C 462 4.192 4.192 175.837 -171.645 25679 1322 1 17 . 1 1 462 462 GLU CA C 462 1.780 1.780 56.617 -54.837 25679 1323 1 17 . 1 1 462 462 GLU H H 462 1.843 1.843 8.582 -6.739 25679 1324 1 17 . 1 1 463 463 LEU C C 463 3.750 3.750 174.527 -170.777 25679 1325 1 17 . 1 1 463 463 LEU CA C 463 1.056 1.056 54.273 -53.217 25679 1326 1 17 . 1 1 463 463 LEU H H 463 1.135 1.135 7.291 -6.156 25679 1327 1 18 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.715 -0.556 25679 1328 1 18 . 1 1 429 429 ALA H H 429 8.092 8.092 8.314 -0.222 25679 1329 1 18 . 1 1 430 430 THR HA H 430 4.095 4.095 3.881 0.214 25679 1330 1 18 . 1 1 430 430 THR H H 430 8.045 8.045 8.573 -0.528 25679 1331 1 18 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.121 0.027 25679 1332 1 18 . 1 1 431 431 ALA H H 431 8.170 8.170 7.920 0.250 25679 1333 1 18 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.495 -0.603 25679 1334 1 18 . 1 1 432 432 VAL H H 432 8.039 8.039 7.776 0.263 25679 1335 1 18 . 1 1 433 433 SER HA H 433 4.294 4.294 4.415 -0.121 25679 1336 1 18 . 1 1 433 433 SER H H 433 8.221 8.221 8.299 -0.078 25679 1337 1 18 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.330 -0.343 25679 1338 1 18 . 1 1 434 434 GLU H H 434 8.644 8.644 8.767 -0.123 25679 1339 1 18 . 1 1 435 435 TRP HA H 435 5.114 5.114 5.647 -0.533 25679 1340 1 18 . 1 1 435 435 TRP H H 435 8.059 8.059 8.095 -0.036 25679 1341 1 18 . 1 1 436 436 THR HA H 436 4.327 4.327 4.659 -0.332 25679 1342 1 18 . 1 1 436 436 THR H H 436 9.307 9.307 8.956 0.351 25679 1343 1 18 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.884 -0.702 25679 1344 1 18 . 1 1 437 437 GLU H H 437 8.375 8.375 8.244 0.131 25679 1345 1 18 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.566 -0.197 25679 1346 1 18 . 1 1 438 438 TYR H H 438 8.435 8.435 7.941 0.494 25679 1347 1 18 . 1 1 439 439 LYS HA H 439 5.254 5.254 4.785 0.469 25679 1348 1 18 . 1 1 439 439 LYS H H 439 8.007 8.007 8.593 -0.586 25679 1349 1 18 . 1 1 440 440 THR HA H 440 4.594 4.594 4.664 -0.070 25679 1350 1 18 . 1 1 440 440 THR H H 440 9.086 9.086 9.249 -0.163 25679 1351 1 18 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.029 -0.064 25679 1352 1 18 . 1 1 441 441 ALA H H 441 9.053 9.053 8.780 0.273 25679 1353 1 18 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.528 -0.069 25679 1354 1 18 . 1 1 442 442 ASP H H 442 7.879 7.879 7.911 -0.032 25679 1355 1 18 . 1 1 443 443 GLY H H 443 7.816 7.816 8.596 -0.780 25679 1356 1 18 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.785 -0.428 25679 1357 1 18 . 1 1 444 444 LYS H H 444 7.732 7.732 7.630 0.102 25679 1358 1 18 . 1 1 445 445 THR HA H 445 4.780 4.780 5.348 -0.568 25679 1359 1 18 . 1 1 445 445 THR H H 445 8.542 8.542 8.422 0.120 25679 1360 1 18 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.180 0.300 25679 1361 1 18 . 1 1 446 446 TYR H H 446 8.546 8.546 8.472 0.074 25679 1362 1 18 . 1 1 447 447 TYR HA H 447 4.961 4.961 4.939 0.022 25679 1363 1 18 . 1 1 447 447 TYR H H 447 8.684 8.684 8.612 0.072 25679 1364 1 18 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.179 0.217 25679 1365 1 18 . 1 1 448 448 TYR H H 448 9.194 9.194 9.645 -0.451 25679 1366 1 18 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.364 -0.321 25679 1367 1 18 . 1 1 449 449 ASN H H 449 8.054 8.054 8.333 -0.279 25679 1368 1 18 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.707 -0.726 25679 1369 1 18 . 1 1 450 450 ASN H H 450 8.328 8.328 8.564 -0.236 25679 1370 1 18 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.144 -0.085 25679 1371 1 18 . 1 1 451 451 ARG H H 451 8.219 8.219 7.973 0.246 25679 1372 1 18 . 1 1 452 452 THR HA H 452 3.851 3.851 4.436 -0.585 25679 1373 1 18 . 1 1 452 452 THR H H 452 7.646 7.646 7.797 -0.151 25679 1374 1 18 . 1 1 453 453 GLU HA H 453 3.422 3.422 3.297 0.125 25679 1375 1 18 . 1 1 453 453 GLU C C 453 4.135 4.135 174.432 -170.297 25679 1376 1 18 . 1 1 453 453 GLU H H 453 7.729 7.729 7.871 -0.142 25679 1377 1 18 . 1 1 454 454 GLU C C 454 5.829 5.829 175.520 -169.691 25679 1378 1 18 . 1 1 454 454 GLU CA C 454 1.924 1.924 55.694 -53.770 25679 1379 1 18 . 1 1 454 454 GLU H H 454 2.058 2.058 7.202 -5.144 25679 1380 1 18 . 1 1 455 455 SER C C 455 4.621 4.621 174.339 -169.718 25679 1381 1 18 . 1 1 455 455 SER H H 455 3.492 3.492 8.559 -5.067 25679 1382 1 18 . 1 1 456 456 THR C C 456 4.780 4.780 173.785 -169.005 25679 1383 1 18 . 1 1 456 456 THR CA C 456 0.971 0.971 60.967 -59.996 25679 1384 1 18 . 1 1 456 456 THR H H 456 4.065 4.065 8.890 -4.825 25679 1385 1 18 . 1 1 457 457 TRP C C 457 4.174 4.174 176.215 -172.041 25679 1386 1 18 . 1 1 457 457 TRP CA C 457 2.966 2.966 57.113 -54.147 25679 1387 1 18 . 1 1 457 457 TRP H H 457 3.421 3.421 8.833 -5.412 25679 1388 1 18 . 1 1 458 458 GLU C C 458 2.500 2.500 176.033 -173.533 25679 1389 1 18 . 1 1 458 458 GLU CA C 458 1.498 1.498 56.053 -54.555 25679 1390 1 18 . 1 1 458 458 GLU H H 458 1.578 1.578 7.612 -6.034 25679 1391 1 18 . 1 1 459 459 LYS C C 459 3.705 3.705 174.741 -171.036 25679 1392 1 18 . 1 1 459 459 LYS CA C 459 1.155 1.155 54.970 -53.815 25679 1393 1 18 . 1 1 459 459 LYS H H 459 1.242 1.242 8.411 -7.169 25679 1394 1 18 . 1 1 460 460 PRO C C 460 3.566 3.566 177.254 -173.688 25679 1395 1 18 . 1 1 460 460 PRO CA C 460 0.834 0.834 61.794 -60.960 25679 1396 1 18 . 1 1 461 461 GLN C C 461 3.933 3.933 177.214 -173.281 25679 1397 1 18 . 1 1 461 461 GLN CA C 461 1.733 1.733 59.505 -57.773 25679 1398 1 18 . 1 1 461 461 GLN H H 461 1.807 1.807 8.803 -6.996 25679 1399 1 18 . 1 1 462 462 GLU C C 462 4.192 4.192 176.536 -172.344 25679 1400 1 18 . 1 1 462 462 GLU CA C 462 1.780 1.780 57.201 -55.421 25679 1401 1 18 . 1 1 462 462 GLU H H 462 1.843 1.843 8.680 -6.837 25679 1402 1 18 . 1 1 463 463 LEU C C 463 3.750 3.750 175.235 -171.485 25679 1403 1 18 . 1 1 463 463 LEU CA C 463 1.056 1.056 53.494 -52.438 25679 1404 1 18 . 1 1 463 463 LEU H H 463 1.135 1.135 7.319 -6.184 25679 1405 1 19 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.728 -0.569 25679 1406 1 19 . 1 1 429 429 ALA H H 429 8.092 8.092 8.241 -0.149 25679 1407 1 19 . 1 1 430 430 THR HA H 430 4.095 4.095 4.358 -0.263 25679 1408 1 19 . 1 1 430 430 THR H H 430 8.045 8.045 8.631 -0.586 25679 1409 1 19 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.604 -0.456 25679 1410 1 19 . 1 1 431 431 ALA H H 431 8.170 8.170 8.322 -0.152 25679 1411 1 19 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.271 -0.379 25679 1412 1 19 . 1 1 432 432 VAL H H 432 8.039 8.039 8.239 -0.200 25679 1413 1 19 . 1 1 433 433 SER HA H 433 4.294 4.294 4.742 -0.448 25679 1414 1 19 . 1 1 433 433 SER H H 433 8.221 8.221 8.372 -0.151 25679 1415 1 19 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.296 -0.309 25679 1416 1 19 . 1 1 434 434 GLU H H 434 8.644 8.644 9.362 -0.718 25679 1417 1 19 . 1 1 435 435 TRP HA H 435 5.114 5.114 5.746 -0.632 25679 1418 1 19 . 1 1 435 435 TRP H H 435 8.059 8.059 7.630 0.429 25679 1419 1 19 . 1 1 436 436 THR HA H 436 4.327 4.327 4.620 -0.293 25679 1420 1 19 . 1 1 436 436 THR H H 436 9.307 9.307 9.030 0.277 25679 1421 1 19 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.929 -0.747 25679 1422 1 19 . 1 1 437 437 GLU H H 437 8.375 8.375 8.251 0.124 25679 1423 1 19 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.520 -0.151 25679 1424 1 19 . 1 1 438 438 TYR H H 438 8.435 8.435 7.937 0.498 25679 1425 1 19 . 1 1 439 439 LYS HA H 439 5.254 5.254 4.649 0.605 25679 1426 1 19 . 1 1 439 439 LYS H H 439 8.007 8.007 8.608 -0.601 25679 1427 1 19 . 1 1 440 440 THR HA H 440 4.594 4.594 4.675 -0.081 25679 1428 1 19 . 1 1 440 440 THR H H 440 9.086 9.086 9.130 -0.044 25679 1429 1 19 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.122 -0.157 25679 1430 1 19 . 1 1 441 441 ALA H H 441 9.053 9.053 8.708 0.345 25679 1431 1 19 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.529 -0.070 25679 1432 1 19 . 1 1 442 442 ASP H H 442 7.879 7.879 7.993 -0.114 25679 1433 1 19 . 1 1 443 443 GLY H H 443 7.816 7.816 8.591 -0.775 25679 1434 1 19 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.786 -0.429 25679 1435 1 19 . 1 1 444 444 LYS H H 444 7.732 7.732 7.633 0.099 25679 1436 1 19 . 1 1 445 445 THR HA H 445 4.780 4.780 5.349 -0.569 25679 1437 1 19 . 1 1 445 445 THR H H 445 8.542 8.542 8.444 0.098 25679 1438 1 19 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.146 0.334 25679 1439 1 19 . 1 1 446 446 TYR H H 446 8.546 8.546 8.381 0.165 25679 1440 1 19 . 1 1 447 447 TYR HA H 447 4.961 4.961 5.081 -0.120 25679 1441 1 19 . 1 1 447 447 TYR H H 447 8.684 8.684 8.912 -0.228 25679 1442 1 19 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.812 -0.416 25679 1443 1 19 . 1 1 448 448 TYR H H 448 9.194 9.194 9.567 -0.373 25679 1444 1 19 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.219 -0.176 25679 1445 1 19 . 1 1 449 449 ASN H H 449 8.054 8.054 8.274 -0.220 25679 1446 1 19 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.355 -0.374 25679 1447 1 19 . 1 1 450 450 ASN H H 450 8.328 8.328 8.613 -0.285 25679 1448 1 19 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.288 -0.229 25679 1449 1 19 . 1 1 451 451 ARG H H 451 8.219 8.219 8.246 -0.027 25679 1450 1 19 . 1 1 452 452 THR HA H 452 3.851 3.851 4.290 -0.439 25679 1451 1 19 . 1 1 452 452 THR H H 452 7.646 7.646 7.957 -0.311 25679 1452 1 19 . 1 1 453 453 GLU HA H 453 3.422 3.422 3.410 0.012 25679 1453 1 19 . 1 1 453 453 GLU C C 453 4.135 4.135 174.589 -170.454 25679 1454 1 19 . 1 1 453 453 GLU H H 453 7.729 7.729 7.869 -0.140 25679 1455 1 19 . 1 1 454 454 GLU C C 454 5.829 5.829 175.861 -170.032 25679 1456 1 19 . 1 1 454 454 GLU CA C 454 1.924 1.924 55.602 -53.678 25679 1457 1 19 . 1 1 454 454 GLU H H 454 2.058 2.058 7.203 -5.145 25679 1458 1 19 . 1 1 455 455 SER C C 455 4.621 4.621 174.365 -169.744 25679 1459 1 19 . 1 1 455 455 SER H H 455 3.492 3.492 8.817 -5.325 25679 1460 1 19 . 1 1 456 456 THR C C 456 4.780 4.780 174.225 -169.445 25679 1461 1 19 . 1 1 456 456 THR CA C 456 0.971 0.971 59.923 -58.952 25679 1462 1 19 . 1 1 456 456 THR H H 456 4.065 4.065 9.008 -4.943 25679 1463 1 19 . 1 1 457 457 TRP C C 457 4.174 4.174 176.108 -171.934 25679 1464 1 19 . 1 1 457 457 TRP CA C 457 2.966 2.966 57.078 -54.112 25679 1465 1 19 . 1 1 457 457 TRP H H 457 3.421 3.421 8.880 -5.459 25679 1466 1 19 . 1 1 458 458 GLU C C 458 2.500 2.500 175.881 -173.381 25679 1467 1 19 . 1 1 458 458 GLU CA C 458 1.498 1.498 56.121 -54.623 25679 1468 1 19 . 1 1 458 458 GLU H H 458 1.578 1.578 7.625 -6.047 25679 1469 1 19 . 1 1 459 459 LYS C C 459 3.705 3.705 174.749 -171.044 25679 1470 1 19 . 1 1 459 459 LYS CA C 459 1.155 1.155 53.658 -52.503 25679 1471 1 19 . 1 1 459 459 LYS H H 459 1.242 1.242 8.392 -7.150 25679 1472 1 19 . 1 1 460 460 PRO C C 460 3.566 3.566 177.049 -173.483 25679 1473 1 19 . 1 1 460 460 PRO CA C 460 0.834 0.834 62.187 -61.353 25679 1474 1 19 . 1 1 461 461 GLN C C 461 3.933 3.933 177.644 -173.711 25679 1475 1 19 . 1 1 461 461 GLN CA C 461 1.733 1.733 59.146 -57.413 25679 1476 1 19 . 1 1 461 461 GLN H H 461 1.807 1.807 8.594 -6.787 25679 1477 1 19 . 1 1 462 462 GLU C C 462 4.192 4.192 176.559 -172.367 25679 1478 1 19 . 1 1 462 462 GLU CA C 462 1.780 1.780 57.748 -55.968 25679 1479 1 19 . 1 1 462 462 GLU H H 462 1.843 1.843 8.546 -6.703 25679 1480 1 19 . 1 1 463 463 LEU C C 463 3.750 3.750 174.979 -171.229 25679 1481 1 19 . 1 1 463 463 LEU CA C 463 1.056 1.056 54.185 -53.129 25679 1482 1 19 . 1 1 463 463 LEU H H 463 1.135 1.135 7.256 -6.121 25679 1483 1 20 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.751 -0.592 25679 1484 1 20 . 1 1 429 429 ALA H H 429 8.092 8.092 8.188 -0.096 25679 1485 1 20 . 1 1 430 430 THR HA H 430 4.095 4.095 4.250 -0.154 25679 1486 1 20 . 1 1 430 430 THR H H 430 8.045 8.045 8.707 -0.662 25679 1487 1 20 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.675 -0.527 25679 1488 1 20 . 1 1 431 431 ALA H H 431 8.170 8.170 8.044 0.126 25679 1489 1 20 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.284 -0.392 25679 1490 1 20 . 1 1 432 432 VAL H H 432 8.039 8.039 8.524 -0.485 25679 1491 1 20 . 1 1 433 433 SER HA H 433 4.294 4.294 4.745 -0.451 25679 1492 1 20 . 1 1 433 433 SER H H 433 8.221 8.221 8.332 -0.111 25679 1493 1 20 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.371 -0.384 25679 1494 1 20 . 1 1 434 434 GLU H H 434 8.644 8.644 9.468 -0.824 25679 1495 1 20 . 1 1 435 435 TRP HA H 435 5.114 5.114 5.585 -0.471 25679 1496 1 20 . 1 1 435 435 TRP H H 435 8.059 8.059 7.587 0.472 25679 1497 1 20 . 1 1 436 436 THR HA H 436 4.327 4.327 4.716 -0.389 25679 1498 1 20 . 1 1 436 436 THR H H 436 9.307 9.307 9.086 0.221 25679 1499 1 20 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.924 -0.742 25679 1500 1 20 . 1 1 437 437 GLU H H 437 8.375 8.375 8.431 -0.056 25679 1501 1 20 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.604 -0.235 25679 1502 1 20 . 1 1 438 438 TYR H H 438 8.435 8.435 8.074 0.361 25679 1503 1 20 . 1 1 439 439 LYS HA H 439 5.254 5.254 4.787 0.467 25679 1504 1 20 . 1 1 439 439 LYS H H 439 8.007 8.007 8.699 -0.692 25679 1505 1 20 . 1 1 440 440 THR HA H 440 4.594 4.594 4.703 -0.109 25679 1506 1 20 . 1 1 440 440 THR H H 440 9.086 9.086 9.191 -0.105 25679 1507 1 20 . 1 1 441 441 ALA HA H 441 3.965 3.965 3.985 -0.020 25679 1508 1 20 . 1 1 441 441 ALA H H 441 9.053 9.053 8.749 0.304 25679 1509 1 20 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.486 -0.027 25679 1510 1 20 . 1 1 442 442 ASP H H 442 7.879 7.879 8.124 -0.245 25679 1511 1 20 . 1 1 443 443 GLY H H 443 7.816 7.816 8.636 -0.820 25679 1512 1 20 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.771 -0.414 25679 1513 1 20 . 1 1 444 444 LYS H H 444 7.732 7.732 7.931 -0.199 25679 1514 1 20 . 1 1 445 445 THR HA H 445 4.780 4.780 5.435 -0.655 25679 1515 1 20 . 1 1 445 445 THR H H 445 8.542 8.542 8.419 0.123 25679 1516 1 20 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.270 0.210 25679 1517 1 20 . 1 1 446 446 TYR H H 446 8.546 8.546 8.569 -0.023 25679 1518 1 20 . 1 1 447 447 TYR HA H 447 4.961 4.961 5.077 -0.116 25679 1519 1 20 . 1 1 447 447 TYR H H 447 8.684 8.684 8.815 -0.131 25679 1520 1 20 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.502 -0.106 25679 1521 1 20 . 1 1 448 448 TYR H H 448 9.194 9.194 9.511 -0.317 25679 1522 1 20 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.206 -0.163 25679 1523 1 20 . 1 1 449 449 ASN H H 449 8.054 8.054 8.207 -0.153 25679 1524 1 20 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.373 -0.392 25679 1525 1 20 . 1 1 450 450 ASN H H 450 8.328 8.328 8.388 -0.060 25679 1526 1 20 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.193 -0.134 25679 1527 1 20 . 1 1 451 451 ARG H H 451 8.219 8.219 7.767 0.452 25679 1528 1 20 . 1 1 452 452 THR HA H 452 3.851 3.851 4.269 -0.418 25679 1529 1 20 . 1 1 452 452 THR H H 452 7.646 7.646 7.914 -0.268 25679 1530 1 20 . 1 1 453 453 GLU HA H 453 3.422 3.422 3.420 0.002 25679 1531 1 20 . 1 1 453 453 GLU C C 453 4.135 4.135 174.472 -170.337 25679 1532 1 20 . 1 1 453 453 GLU H H 453 7.729 7.729 7.708 0.021 25679 1533 1 20 . 1 1 454 454 GLU C C 454 5.829 5.829 175.519 -169.690 25679 1534 1 20 . 1 1 454 454 GLU CA C 454 1.924 1.924 55.441 -53.517 25679 1535 1 20 . 1 1 454 454 GLU H H 454 2.058 2.058 7.148 -5.090 25679 1536 1 20 . 1 1 455 455 SER C C 455 4.621 4.621 174.386 -169.765 25679 1537 1 20 . 1 1 455 455 SER H H 455 3.492 3.492 8.788 -5.296 25679 1538 1 20 . 1 1 456 456 THR C C 456 4.780 4.780 173.857 -169.077 25679 1539 1 20 . 1 1 456 456 THR CA C 456 0.971 0.971 60.555 -59.584 25679 1540 1 20 . 1 1 456 456 THR H H 456 4.065 4.065 9.192 -5.127 25679 1541 1 20 . 1 1 457 457 TRP C C 457 4.174 4.174 176.210 -172.036 25679 1542 1 20 . 1 1 457 457 TRP CA C 457 2.966 2.966 57.164 -54.198 25679 1543 1 20 . 1 1 457 457 TRP H H 457 3.421 3.421 8.968 -5.547 25679 1544 1 20 . 1 1 458 458 GLU C C 458 2.500 2.500 176.134 -173.634 25679 1545 1 20 . 1 1 458 458 GLU CA C 458 1.498 1.498 55.984 -54.486 25679 1546 1 20 . 1 1 458 458 GLU H H 458 1.578 1.578 7.598 -6.020 25679 1547 1 20 . 1 1 459 459 LYS C C 459 3.705 3.705 174.679 -170.974 25679 1548 1 20 . 1 1 459 459 LYS CA C 459 1.155 1.155 54.488 -53.333 25679 1549 1 20 . 1 1 459 459 LYS H H 459 1.242 1.242 8.384 -7.142 25679 1550 1 20 . 1 1 460 460 PRO C C 460 3.566 3.566 177.044 -173.478 25679 1551 1 20 . 1 1 460 460 PRO CA C 460 0.834 0.834 62.020 -61.187 25679 1552 1 20 . 1 1 461 461 GLN C C 461 3.933 3.933 175.902 -171.969 25679 1553 1 20 . 1 1 461 461 GLN CA C 461 1.733 1.733 58.287 -56.554 25679 1554 1 20 . 1 1 461 461 GLN H H 461 1.807 1.807 8.458 -6.651 25679 1555 1 20 . 1 1 462 462 GLU C C 462 4.192 4.192 176.237 -172.045 25679 1556 1 20 . 1 1 462 462 GLU CA C 462 1.780 1.780 56.158 -54.378 25679 1557 1 20 . 1 1 462 462 GLU H H 462 1.843 1.843 7.910 -6.067 25679 1558 1 20 . 1 1 463 463 LEU C C 463 3.750 3.750 176.270 -172.520 25679 1559 1 20 . 1 1 463 463 LEU CA C 463 1.056 1.056 54.255 -53.199 25679 1560 1 20 . 1 1 463 463 LEU H H 463 1.135 1.135 7.676 -6.541 25679 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 0 0.000 0.000 0.000 25679 2 1 1 "Average Difference" HA 26 0.348 0.200 0.291 25679 3 1 1 "Average Difference" C 11 171.248 171.242 1.541 25679 4 1 1 "Average Difference" CA 9 55.684 55.610 3.034 25679 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25679 6 1 1 "Average Difference" HN 34 3.091 1.652 2.652 25679 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25679 8 1 2 "Average Difference" HA 26 0.396 0.241 0.321 25679 9 1 2 "Average Difference" C 11 171.517 171.510 1.696 25679 10 1 2 "Average Difference" CA 9 55.754 55.674 3.173 25679 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25679 12 1 2 "Average Difference" HN 34 3.089 1.657 2.647 25679 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25679 14 1 3 "Average Difference" HA 26 0.386 0.245 0.305 25679 15 1 3 "Average Difference" C 11 171.400 171.393 1.622 25679 16 1 3 "Average Difference" CA 9 55.808 55.736 3.011 25679 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25679 18 1 3 "Average Difference" HN 34 3.087 1.606 2.676 25679 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25679 20 1 4 "Average Difference" HA 26 0.390 0.240 0.313 25679 21 1 4 "Average Difference" C 11 171.450 171.442 1.770 25679 22 1 4 "Average Difference" CA 9 55.851 55.783 2.919 25679 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25679 24 1 4 "Average Difference" HN 34 3.121 1.689 2.663 25679 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25679 26 1 5 "Average Difference" HA 26 0.404 0.264 0.313 25679 27 1 5 "Average Difference" C 11 171.406 171.398 1.766 25679 28 1 5 "Average Difference" CA 9 55.870 55.787 3.222 25679 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25679 30 1 5 "Average Difference" HN 34 3.103 1.640 2.674 25679 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25679 32 1 6 "Average Difference" HA 26 0.410 0.224 0.351 25679 33 1 6 "Average Difference" C 11 171.364 171.356 1.693 25679 34 1 6 "Average Difference" CA 9 55.369 55.295 3.022 25679 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25679 36 1 6 "Average Difference" HN 34 3.128 1.649 2.698 25679 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25679 38 1 7 "Average Difference" HA 26 0.399 0.239 0.326 25679 39 1 7 "Average Difference" C 11 171.389 171.382 1.601 25679 40 1 7 "Average Difference" CA 9 55.725 55.651 3.040 25679 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25679 42 1 7 "Average Difference" HN 34 3.142 1.683 2.693 25679 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25679 44 1 8 "Average Difference" HA 26 0.377 0.199 0.326 25679 45 1 8 "Average Difference" C 11 171.390 171.385 1.422 25679 46 1 8 "Average Difference" CA 9 55.899 55.824 3.066 25679 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25679 48 1 8 "Average Difference" HN 34 3.093 1.618 2.675 25679 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25679 50 1 9 "Average Difference" HA 26 0.368 0.198 0.316 25679 51 1 9 "Average Difference" C 11 171.530 171.523 1.641 25679 52 1 9 "Average Difference" CA 9 55.843 55.772 2.987 25679 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25679 54 1 9 "Average Difference" HN 34 3.146 1.652 2.718 25679 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25679 56 1 10 "Average Difference" HA 26 0.379 0.206 0.324 25679 57 1 10 "Average Difference" C 11 171.346 171.339 1.595 25679 58 1 10 "Average Difference" CA 9 55.421 55.344 3.099 25679 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25679 60 1 10 "Average Difference" HN 34 3.093 1.618 2.676 25679 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25679 62 1 11 "Average Difference" HA 26 0.391 0.243 0.313 25679 63 1 11 "Average Difference" C 11 171.339 171.332 1.568 25679 64 1 11 "Average Difference" CA 9 55.838 55.756 3.209 25679 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25679 66 1 11 "Average Difference" HN 34 3.070 1.622 2.645 25679 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25679 68 1 12 "Average Difference" HA 26 0.380 0.192 0.334 25679 69 1 12 "Average Difference" C 11 171.599 171.594 1.498 25679 70 1 12 "Average Difference" CA 9 55.858 55.796 2.782 25679 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25679 72 1 12 "Average Difference" HN 34 3.119 1.665 2.677 25679 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25679 74 1 13 "Average Difference" HA 26 0.361 0.185 0.316 25679 75 1 13 "Average Difference" C 11 171.475 171.467 1.656 25679 76 1 13 "Average Difference" CA 9 55.641 55.566 3.057 25679 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25679 78 1 13 "Average Difference" HN 34 3.107 1.607 2.699 25679 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25679 80 1 14 "Average Difference" HA 26 0.333 0.152 0.302 25679 81 1 14 "Average Difference" C 11 171.467 171.461 1.584 25679 82 1 14 "Average Difference" CA 9 55.910 55.836 3.067 25679 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25679 84 1 14 "Average Difference" HN 34 3.113 1.674 2.664 25679 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25679 86 1 15 "Average Difference" HA 26 0.429 0.275 0.336 25679 87 1 15 "Average Difference" C 11 171.469 171.461 1.735 25679 88 1 15 "Average Difference" CA 9 55.690 55.616 3.050 25679 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25679 90 1 15 "Average Difference" HN 34 3.120 1.664 2.679 25679 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25679 92 1 16 "Average Difference" HA 26 0.396 0.240 0.322 25679 93 1 16 "Average Difference" C 11 171.492 171.486 1.503 25679 94 1 16 "Average Difference" CA 9 55.807 55.734 3.036 25679 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25679 96 1 16 "Average Difference" HN 34 3.131 1.656 2.698 25679 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25679 98 1 17 "Average Difference" HA 26 0.391 0.191 0.348 25679 99 1 17 "Average Difference" C 11 171.375 171.369 1.596 25679 100 1 17 "Average Difference" CA 9 55.921 55.855 2.885 25679 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25679 102 1 17 "Average Difference" HN 34 3.117 1.610 2.710 25679 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25679 104 1 18 "Average Difference" HA 26 0.383 0.182 0.344 25679 105 1 18 "Average Difference" C 11 171.473 171.465 1.656 25679 106 1 18 "Average Difference" CA 9 55.946 55.875 2.997 25679 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25679 108 1 18 "Average Difference" HN 34 3.110 1.621 2.694 25679 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25679 110 1 19 "Average Difference" HA 26 0.388 0.237 0.313 25679 111 1 19 "Average Difference" C 11 171.536 171.529 1.553 25679 112 1 19 "Average Difference" CA 9 55.818 55.748 2.961 25679 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25679 114 1 19 "Average Difference" HN 34 3.107 1.668 2.661 25679 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25679 116 1 20 "Average Difference" HA 26 0.370 0.234 0.293 25679 117 1 20 "Average Difference" C 11 171.418 171.411 1.550 25679 118 1 20 "Average Difference" CA 9 55.672 55.604 2.914 25679 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25679 120 1 20 "Average Difference" HN 34 3.095 1.666 2.648 25679 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 25679 _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 1 429 429 ALA HA H 429 4.159 4.159 4.559 -0.400 25679 2 1 . 1 1 429 429 ALA H H 429 8.092 8.092 8.248 -0.156 25679 3 1 . 1 1 430 430 THR HA H 430 4.095 4.095 4.347 -0.252 25679 4 1 . 1 1 430 430 THR H H 430 8.045 8.045 8.352 -0.307 25679 5 1 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.481 -0.333 25679 6 1 . 1 1 431 431 ALA H H 431 8.170 8.170 8.347 -0.177 25679 7 1 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.261 -0.369 25679 8 1 . 1 1 432 432 VAL H H 432 8.039 8.039 8.204 -0.165 25679 9 1 . 1 1 433 433 SER HA H 433 4.294 4.294 4.632 -0.338 25679 10 1 . 1 1 433 433 SER H H 433 8.221 8.221 8.271 -0.050 25679 11 1 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.258 -0.272 25679 12 1 . 1 1 434 434 GLU H H 434 8.644 8.644 9.068 -0.424 25679 13 1 . 1 1 435 435 TRP HA H 435 5.114 5.114 5.626 -0.512 25679 14 1 . 1 1 435 435 TRP H H 435 8.059 8.059 7.760 0.299 25679 15 1 . 1 1 436 436 THR HA H 436 4.327 4.327 4.662 -0.335 25679 16 1 . 1 1 436 436 THR H H 436 9.307 9.307 9.077 0.230 25679 17 1 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.998 -0.816 25679 18 1 . 1 1 437 437 GLU H H 437 8.375 8.375 8.376 -0.001 25679 19 1 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.566 -0.197 25679 20 1 . 1 1 438 438 TYR H H 438 8.435 8.435 7.886 0.549 25679 21 1 . 1 1 439 439 LYS HA H 439 5.254 5.254 4.741 0.513 25679 22 1 . 1 1 439 439 LYS H H 439 8.007 8.007 8.627 -0.620 25679 23 1 . 1 1 440 440 THR HA H 440 4.594 4.594 4.683 -0.089 25679 24 1 . 1 1 440 440 THR H H 440 9.086 9.086 9.194 -0.108 25679 25 1 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.034 -0.069 25679 26 1 . 1 1 441 441 ALA H H 441 9.053 9.053 8.769 0.284 25679 27 1 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.509 -0.050 25679 28 1 . 1 1 442 442 ASP H H 442 7.879 7.879 7.995 -0.116 25679 29 1 . 1 1 443 443 GLY H H 443 7.816 7.816 8.580 -0.764 25679 30 1 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.785 -0.428 25679 31 1 . 1 1 444 444 LYS H H 444 7.732 7.732 7.896 -0.164 25679 32 1 . 1 1 445 445 THR HA H 445 4.780 4.780 5.386 -0.606 25679 33 1 . 1 1 445 445 THR H H 445 8.542 8.542 8.448 0.094 25679 34 1 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.125 0.355 25679 35 1 . 1 1 446 446 TYR H H 446 8.546 8.546 8.304 0.242 25679 36 1 . 1 1 447 447 TYR HA H 447 4.961 4.961 5.103 -0.142 25679 37 1 . 1 1 447 447 TYR H H 447 8.684 8.684 8.813 -0.129 25679 38 1 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.583 -0.187 25679 39 1 . 1 1 448 448 TYR H H 448 9.194 9.194 9.510 -0.316 25679 40 1 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.237 -0.194 25679 41 1 . 1 1 449 449 ASN H H 449 8.054 8.054 8.270 -0.216 25679 42 1 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.425 -0.444 25679 43 1 . 1 1 450 450 ASN H H 450 8.328 8.328 8.387 -0.059 25679 44 1 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.240 -0.181 25679 45 1 . 1 1 451 451 ARG H H 451 8.219 8.219 8.074 0.145 25679 46 1 . 1 1 452 452 THR HA H 452 3.851 3.851 4.337 -0.486 25679 47 1 . 1 1 452 452 THR H H 452 7.646 7.646 7.873 -0.227 25679 48 1 . 1 1 453 453 GLU HA H 453 3.422 3.422 3.516 -0.094 25679 49 1 . 1 1 453 453 GLU C C 453 4.135 4.135 174.660 -170.525 25679 50 1 . 1 1 453 453 GLU H H 453 7.729 7.729 7.814 -0.085 25679 51 1 . 1 1 454 454 GLU C C 454 5.829 5.829 175.454 -169.625 25679 52 1 . 1 1 454 454 GLU CA C 454 1.924 1.924 55.261 -53.337 25679 53 1 . 1 1 454 454 GLU H H 454 2.058 2.058 7.222 -5.164 25679 54 1 . 1 1 455 455 SER C C 455 4.621 4.621 174.226 -169.605 25679 55 1 . 1 1 455 455 SER H H 455 3.492 3.492 8.731 -5.239 25679 56 1 . 1 1 456 456 THR C C 456 4.780 4.780 173.984 -169.204 25679 57 1 . 1 1 456 456 THR CA C 456 0.971 0.971 60.426 -59.455 25679 58 1 . 1 1 456 456 THR H H 456 4.065 4.065 9.107 -5.042 25679 59 1 . 1 1 457 457 TRP C C 457 4.174 4.174 176.161 -171.987 25679 60 1 . 1 1 457 457 TRP CA C 457 2.966 2.966 57.191 -54.225 25679 61 1 . 1 1 457 457 TRP H H 457 3.421 3.421 8.823 -5.402 25679 62 1 . 1 1 458 458 GLU C C 458 2.500 2.500 176.011 -173.511 25679 63 1 . 1 1 458 458 GLU CA C 458 1.498 1.498 55.759 -54.261 25679 64 1 . 1 1 458 458 GLU H H 458 1.578 1.578 7.636 -6.058 25679 65 1 . 1 1 459 459 LYS C C 459 3.705 3.705 174.763 -171.058 25679 66 1 . 1 1 459 459 LYS CA C 459 1.155 1.155 54.411 -53.256 25679 67 1 . 1 1 459 459 LYS H H 459 1.242 1.242 8.434 -7.191 25679 68 1 . 1 1 460 460 PRO C C 460 3.566 3.566 176.998 -173.432 25679 69 1 . 1 1 460 460 PRO CA C 460 0.834 0.834 62.160 -61.326 25679 70 1 . 1 1 461 461 GLN C C 461 3.933 3.933 177.237 -173.304 25679 71 1 . 1 1 461 461 GLN CA C 461 1.733 1.733 58.865 -57.132 25679 72 1 . 1 1 461 461 GLN H H 461 1.807 1.807 8.607 -6.800 25679 73 1 . 1 1 462 462 GLU C C 462 4.192 4.192 176.352 -172.160 25679 74 1 . 1 1 462 462 GLU CA C 462 1.780 1.780 57.199 -55.419 25679 75 1 . 1 1 462 462 GLU H H 462 1.843 1.843 8.445 -6.602 25679 76 1 . 1 1 463 463 LEU C C 463 3.750 3.750 175.039 -171.289 25679 77 1 . 1 1 463 463 LEU CA C 463 1.056 1.056 53.885 -52.829 25679 78 1 . 1 1 463 463 LEU H H 463 1.135 1.135 7.351 -6.216 25679 stop_ save_