data_25680 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25680 _Entry.PDB_ID 2N4T 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 25680 _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 4.783 -0.624 25680 2 1 1 . 1 1 429 429 ALA H H 429 8.092 8.092 8.017 0.075 25680 3 1 1 . 1 1 430 430 THR HA H 430 4.095 4.095 4.236 -0.141 25680 4 1 1 . 1 1 430 430 THR H H 430 8.044 8.044 8.401 -0.357 25680 5 1 1 . 1 1 431 431 ALA HA H 431 4.155 4.155 4.033 0.122 25680 6 1 1 . 1 1 431 431 ALA H H 431 8.167 8.167 8.043 0.124 25680 7 1 1 . 1 1 432 432 VAL HA H 432 3.900 3.900 4.037 -0.137 25680 8 1 1 . 1 1 432 432 VAL H H 432 8.032 8.032 8.129 -0.097 25680 9 1 1 . 1 1 433 433 SER HA H 433 4.289 4.289 4.197 0.092 25680 10 1 1 . 1 1 433 433 SER H H 433 8.223 8.223 8.865 -0.642 25680 11 1 1 . 1 1 434 434 GLU HA H 434 3.965 3.965 4.299 -0.334 25680 12 1 1 . 1 1 434 434 GLU H H 434 8.644 8.644 8.703 -0.059 25680 13 1 1 . 1 1 435 435 TRP HA H 435 5.139 5.139 5.420 -0.281 25680 14 1 1 . 1 1 435 435 TRP H H 435 8.051 8.051 7.915 0.136 25680 15 1 1 . 1 1 436 436 THR HA H 436 4.343 4.343 4.733 -0.390 25680 16 1 1 . 1 1 436 436 THR H H 436 9.331 9.331 9.103 0.228 25680 17 1 1 . 1 1 437 437 GLU HA H 437 4.187 4.187 4.434 -0.247 25680 18 1 1 . 1 1 437 437 GLU H H 437 8.371 8.371 8.664 -0.293 25680 19 1 1 . 1 1 438 438 TYR HA H 438 4.367 4.367 4.507 -0.140 25680 20 1 1 . 1 1 438 438 TYR H H 438 8.463 8.463 8.224 0.239 25680 21 1 1 . 1 1 439 439 LYS HA H 439 5.253 5.253 5.303 -0.050 25680 22 1 1 . 1 1 439 439 LYS H H 439 7.992 7.992 8.463 -0.471 25680 23 1 1 . 1 1 440 440 THR HA H 440 4.460 4.460 4.699 -0.239 25680 24 1 1 . 1 1 440 440 THR H H 440 9.072 9.072 8.587 0.485 25680 25 1 1 . 1 1 441 441 ALA HA H 441 3.950 3.950 4.065 -0.115 25680 26 1 1 . 1 1 441 441 ALA H H 441 9.025 9.025 8.808 0.217 25680 27 1 1 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.546 -0.087 25680 28 1 1 . 1 1 442 442 ASP H H 442 7.874 7.874 8.122 -0.248 25680 29 1 1 . 1 1 443 443 GLY H H 443 7.818 7.818 8.254 -0.436 25680 30 1 1 . 1 1 444 444 LYS HA H 444 4.350 4.350 4.759 -0.409 25680 31 1 1 . 1 1 444 444 LYS H H 444 7.716 7.716 8.129 -0.413 25680 32 1 1 . 1 1 445 445 THR HA H 445 4.781 4.781 4.942 -0.161 25680 33 1 1 . 1 1 445 445 THR H H 445 8.526 8.526 8.847 -0.321 25680 34 1 1 . 1 1 446 446 TYR HA H 446 4.501 4.501 4.674 -0.173 25680 35 1 1 . 1 1 446 446 TYR H H 446 8.551 8.551 8.365 0.186 25680 36 1 1 . 1 1 447 447 TYR HA H 447 4.970 4.970 5.155 -0.185 25680 37 1 1 . 1 1 447 447 TYR H H 447 8.668 8.668 9.027 -0.359 25680 38 1 1 . 1 1 448 448 TYR HA H 448 5.408 5.408 5.434 -0.026 25680 39 1 1 . 1 1 448 448 TYR H H 448 9.188 9.188 9.682 -0.494 25680 40 1 1 . 1 1 449 449 ASN HA H 449 4.042 4.042 4.565 -0.523 25680 41 1 1 . 1 1 449 449 ASN H H 449 8.112 8.112 8.246 -0.134 25680 42 1 1 . 1 1 450 450 ASN HA H 450 3.968 3.968 4.414 -0.446 25680 43 1 1 . 1 1 450 450 ASN H H 450 8.382 8.382 8.371 0.011 25680 44 1 1 . 1 1 451 451 ARG HA H 451 3.975 3.975 4.226 -0.251 25680 45 1 1 . 1 1 451 451 ARG H H 451 8.316 8.316 7.354 0.962 25680 46 1 1 . 1 1 452 452 THR HA H 452 3.464 3.464 4.497 -1.033 25680 47 1 1 . 1 1 452 452 THR H H 452 7.579 7.579 8.274 -0.695 25680 48 1 1 . 1 1 453 453 TRP HA H 453 4.065 4.065 3.947 0.118 25680 49 1 1 . 1 1 453 453 TRP H H 453 7.654 7.654 7.758 -0.104 25680 50 1 1 . 1 1 454 454 GLU HA H 454 4.170 4.170 4.453 -0.283 25680 51 1 1 . 1 1 454 454 GLU H H 454 7.109 7.109 7.312 -0.203 25680 52 1 1 . 1 1 455 455 SER HA H 455 5.831 5.831 5.394 0.437 25680 53 1 1 . 1 1 455 455 SER H H 455 8.288 8.288 8.601 -0.313 25680 54 1 1 . 1 1 456 456 THR HA H 456 4.624 4.624 4.664 -0.040 25680 55 1 1 . 1 1 456 456 THR H H 456 9.146 9.146 8.494 0.652 25680 56 1 1 . 1 1 457 457 TRP HA H 457 4.796 4.796 4.948 -0.152 25680 57 1 1 . 1 1 457 457 TRP H H 457 8.307 8.307 8.683 -0.376 25680 58 1 1 . 1 1 458 458 GLU HA H 458 4.174 4.174 4.475 -0.301 25680 59 1 1 . 1 1 458 458 GLU H H 458 8.001 8.001 7.682 0.319 25680 60 1 1 . 1 1 459 459 LYS HA H 459 2.523 2.523 4.289 -1.766 25680 61 1 1 . 1 1 459 459 LYS H H 459 8.203 8.203 8.424 -0.221 25680 62 1 1 . 1 1 460 460 PRO HA H 460 3.703 3.703 3.882 -0.179 25680 63 1 1 . 1 1 461 461 GLN HA H 461 3.575 3.575 3.959 -0.384 25680 64 1 1 . 1 1 461 461 GLN H H 461 8.340 8.340 8.499 -0.159 25680 65 1 1 . 1 1 462 462 GLU HA H 462 3.936 3.936 4.154 -0.218 25680 66 1 1 . 1 1 462 462 GLU H H 462 8.860 8.860 8.423 0.437 25680 67 1 1 . 1 1 463 463 LEU HA H 463 4.196 4.196 4.458 -0.262 25680 68 1 1 . 1 1 463 463 LEU H H 463 7.395 7.395 7.231 0.164 25680 69 1 2 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.587 -0.428 25680 70 1 2 . 1 1 429 429 ALA H H 429 8.092 8.092 7.479 0.613 25680 71 1 2 . 1 1 430 430 THR HA H 430 4.095 4.095 4.228 -0.133 25680 72 1 2 . 1 1 430 430 THR H H 430 8.044 8.044 8.607 -0.563 25680 73 1 2 . 1 1 431 431 ALA HA H 431 4.155 4.155 4.109 0.046 25680 74 1 2 . 1 1 431 431 ALA H H 431 8.167 8.167 8.015 0.152 25680 75 1 2 . 1 1 432 432 VAL HA H 432 3.900 3.900 3.977 -0.077 25680 76 1 2 . 1 1 432 432 VAL H H 432 8.032 8.032 8.719 -0.687 25680 77 1 2 . 1 1 433 433 SER HA H 433 4.289 4.289 4.197 0.092 25680 78 1 2 . 1 1 433 433 SER H H 433 8.223 8.223 8.240 -0.017 25680 79 1 2 . 1 1 434 434 GLU HA H 434 3.965 3.965 4.435 -0.470 25680 80 1 2 . 1 1 434 434 GLU H H 434 8.644 8.644 8.576 0.068 25680 81 1 2 . 1 1 435 435 TRP HA H 435 5.139 5.139 5.399 -0.260 25680 82 1 2 . 1 1 435 435 TRP H H 435 8.051 8.051 7.992 0.059 25680 83 1 2 . 1 1 436 436 THR HA H 436 4.343 4.343 4.596 -0.253 25680 84 1 2 . 1 1 436 436 THR H H 436 9.331 9.331 8.966 0.365 25680 85 1 2 . 1 1 437 437 GLU HA H 437 4.187 4.187 4.638 -0.451 25680 86 1 2 . 1 1 437 437 GLU H H 437 8.371 8.371 8.539 -0.168 25680 87 1 2 . 1 1 438 438 TYR HA H 438 4.367 4.367 4.515 -0.148 25680 88 1 2 . 1 1 438 438 TYR H H 438 8.463 8.463 7.966 0.496 25680 89 1 2 . 1 1 439 439 LYS HA H 439 5.253 5.253 5.160 0.093 25680 90 1 2 . 1 1 439 439 LYS H H 439 7.992 7.992 8.454 -0.462 25680 91 1 2 . 1 1 440 440 THR HA H 440 4.460 4.460 4.683 -0.223 25680 92 1 2 . 1 1 440 440 THR H H 440 9.072 9.072 8.424 0.648 25680 93 1 2 . 1 1 441 441 ALA HA H 441 3.950 3.950 4.056 -0.106 25680 94 1 2 . 1 1 441 441 ALA H H 441 9.025 9.025 8.791 0.234 25680 95 1 2 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.576 -0.117 25680 96 1 2 . 1 1 442 442 ASP H H 442 7.874 7.874 8.098 -0.224 25680 97 1 2 . 1 1 443 443 GLY H H 443 7.818 7.818 8.368 -0.550 25680 98 1 2 . 1 1 444 444 LYS HA H 444 4.350 4.350 4.749 -0.399 25680 99 1 2 . 1 1 444 444 LYS H H 444 7.716 7.716 7.920 -0.204 25680 100 1 2 . 1 1 445 445 THR HA H 445 4.781 4.781 5.297 -0.516 25680 101 1 2 . 1 1 445 445 THR H H 445 8.526 8.526 8.751 -0.225 25680 102 1 2 . 1 1 446 446 TYR HA H 446 4.501 4.501 4.732 -0.231 25680 103 1 2 . 1 1 446 446 TYR H H 446 8.551 8.551 8.387 0.164 25680 104 1 2 . 1 1 447 447 TYR HA H 447 4.970 4.970 5.422 -0.452 25680 105 1 2 . 1 1 447 447 TYR H H 447 8.668 8.668 8.932 -0.264 25680 106 1 2 . 1 1 448 448 TYR HA H 448 5.408 5.408 5.376 0.032 25680 107 1 2 . 1 1 448 448 TYR H H 448 9.188 9.188 9.620 -0.432 25680 108 1 2 . 1 1 449 449 ASN HA H 449 4.042 4.042 4.385 -0.343 25680 109 1 2 . 1 1 449 449 ASN H H 449 8.112 8.112 8.182 -0.070 25680 110 1 2 . 1 1 450 450 ASN HA H 450 3.968 3.968 4.710 -0.742 25680 111 1 2 . 1 1 450 450 ASN H H 450 8.382 8.382 9.145 -0.763 25680 112 1 2 . 1 1 451 451 ARG HA H 451 3.975 3.975 4.097 -0.122 25680 113 1 2 . 1 1 451 451 ARG H H 451 8.316 8.316 8.063 0.253 25680 114 1 2 . 1 1 452 452 THR HA H 452 3.464 3.464 4.272 -0.808 25680 115 1 2 . 1 1 452 452 THR H H 452 7.579 7.579 8.411 -0.832 25680 116 1 2 . 1 1 453 453 TRP HA H 453 4.065 4.065 4.018 0.047 25680 117 1 2 . 1 1 453 453 TRP H H 453 7.654 7.654 7.538 0.116 25680 118 1 2 . 1 1 454 454 GLU HA H 454 4.170 4.170 4.462 -0.292 25680 119 1 2 . 1 1 454 454 GLU H H 454 7.109 7.109 7.360 -0.251 25680 120 1 2 . 1 1 455 455 SER HA H 455 5.831 5.831 5.817 0.014 25680 121 1 2 . 1 1 455 455 SER H H 455 8.288 8.288 8.687 -0.399 25680 122 1 2 . 1 1 456 456 THR HA H 456 4.624 4.624 4.682 -0.058 25680 123 1 2 . 1 1 456 456 THR H H 456 9.146 9.146 8.571 0.575 25680 124 1 2 . 1 1 457 457 TRP HA H 457 4.796 4.796 5.068 -0.272 25680 125 1 2 . 1 1 457 457 TRP H H 457 8.307 8.307 8.760 -0.453 25680 126 1 2 . 1 1 458 458 GLU HA H 458 4.174 4.174 4.690 -0.516 25680 127 1 2 . 1 1 458 458 GLU H H 458 8.001 8.001 7.788 0.213 25680 128 1 2 . 1 1 459 459 LYS HA H 459 2.523 2.523 4.088 -1.565 25680 129 1 2 . 1 1 459 459 LYS H H 459 8.203 8.203 8.437 -0.234 25680 130 1 2 . 1 1 460 460 PRO HA H 460 3.703 3.703 4.016 -0.313 25680 131 1 2 . 1 1 461 461 GLN HA H 461 3.575 3.575 3.902 -0.327 25680 132 1 2 . 1 1 461 461 GLN H H 461 8.340 8.340 8.589 -0.249 25680 133 1 2 . 1 1 462 462 GLU HA H 462 3.936 3.936 4.280 -0.344 25680 134 1 2 . 1 1 462 462 GLU H H 462 8.860 8.860 8.696 0.164 25680 135 1 2 . 1 1 463 463 LEU HA H 463 4.196 4.196 4.782 -0.586 25680 136 1 2 . 1 1 463 463 LEU H H 463 7.395 7.395 7.656 -0.261 25680 137 1 3 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.770 -0.611 25680 138 1 3 . 1 1 429 429 ALA H H 429 8.092 8.092 8.091 0.001 25680 139 1 3 . 1 1 430 430 THR HA H 430 4.095 4.095 4.220 -0.125 25680 140 1 3 . 1 1 430 430 THR H H 430 8.044 8.044 8.610 -0.566 25680 141 1 3 . 1 1 431 431 ALA HA H 431 4.155 4.155 4.107 0.048 25680 142 1 3 . 1 1 431 431 ALA H H 431 8.167 8.167 8.298 -0.131 25680 143 1 3 . 1 1 432 432 VAL HA H 432 3.900 3.900 4.157 -0.257 25680 144 1 3 . 1 1 432 432 VAL H H 432 8.032 8.032 8.847 -0.815 25680 145 1 3 . 1 1 433 433 SER HA H 433 4.289 4.289 3.983 0.306 25680 146 1 3 . 1 1 433 433 SER H H 433 8.223 8.223 8.137 0.086 25680 147 1 3 . 1 1 434 434 GLU HA H 434 3.965 3.965 4.327 -0.362 25680 148 1 3 . 1 1 434 434 GLU H H 434 8.644 8.644 8.643 0.001 25680 149 1 3 . 1 1 435 435 TRP HA H 435 5.139 5.139 5.384 -0.245 25680 150 1 3 . 1 1 435 435 TRP H H 435 8.051 8.051 8.050 0.001 25680 151 1 3 . 1 1 436 436 THR HA H 436 4.343 4.343 4.497 -0.154 25680 152 1 3 . 1 1 436 436 THR H H 436 9.331 9.331 8.853 0.478 25680 153 1 3 . 1 1 437 437 GLU HA H 437 4.187 4.187 3.808 0.379 25680 154 1 3 . 1 1 437 437 GLU H H 437 8.371 8.371 8.421 -0.050 25680 155 1 3 . 1 1 438 438 TYR HA H 438 4.367 4.367 4.448 -0.081 25680 156 1 3 . 1 1 438 438 TYR H H 438 8.463 8.463 7.922 0.541 25680 157 1 3 . 1 1 439 439 LYS HA H 439 5.253 5.253 5.293 -0.040 25680 158 1 3 . 1 1 439 439 LYS H H 439 7.992 7.992 8.483 -0.491 25680 159 1 3 . 1 1 440 440 THR HA H 440 4.460 4.460 4.746 -0.286 25680 160 1 3 . 1 1 440 440 THR H H 440 9.072 9.072 8.411 0.661 25680 161 1 3 . 1 1 441 441 ALA HA H 441 3.950 3.950 4.071 -0.121 25680 162 1 3 . 1 1 441 441 ALA H H 441 9.025 9.025 8.834 0.191 25680 163 1 3 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.597 -0.138 25680 164 1 3 . 1 1 442 442 ASP H H 442 7.874 7.874 8.389 -0.515 25680 165 1 3 . 1 1 443 443 GLY H H 443 7.818 7.818 8.387 -0.569 25680 166 1 3 . 1 1 444 444 LYS HA H 444 4.350 4.350 4.787 -0.437 25680 167 1 3 . 1 1 444 444 LYS H H 444 7.716 7.716 8.335 -0.619 25680 168 1 3 . 1 1 445 445 THR HA H 445 4.781 4.781 4.827 -0.046 25680 169 1 3 . 1 1 445 445 THR H H 445 8.526 8.526 8.995 -0.469 25680 170 1 3 . 1 1 446 446 TYR HA H 446 4.501 4.501 4.874 -0.373 25680 171 1 3 . 1 1 446 446 TYR H H 446 8.551 8.551 8.811 -0.260 25680 172 1 3 . 1 1 447 447 TYR HA H 447 4.970 4.970 5.138 -0.168 25680 173 1 3 . 1 1 447 447 TYR H H 447 8.668 8.668 9.351 -0.683 25680 174 1 3 . 1 1 448 448 TYR HA H 448 5.408 5.408 5.409 -0.001 25680 175 1 3 . 1 1 448 448 TYR H H 448 9.188 9.188 9.549 -0.361 25680 176 1 3 . 1 1 449 449 ASN HA H 449 4.042 4.042 5.222 -1.180 25680 177 1 3 . 1 1 449 449 ASN H H 449 8.112 8.112 8.408 -0.296 25680 178 1 3 . 1 1 450 450 ASN HA H 450 3.968 3.968 4.935 -0.967 25680 179 1 3 . 1 1 450 450 ASN H H 450 8.382 8.382 8.333 0.049 25680 180 1 3 . 1 1 451 451 ARG HA H 451 3.975 3.975 3.973 0.002 25680 181 1 3 . 1 1 451 451 ARG H H 451 8.316 8.316 7.858 0.458 25680 182 1 3 . 1 1 452 452 THR HA H 452 3.464 3.464 3.913 -0.449 25680 183 1 3 . 1 1 452 452 THR H H 452 7.579 7.579 7.740 -0.161 25680 184 1 3 . 1 1 453 453 TRP HA H 453 4.065 4.065 4.179 -0.114 25680 185 1 3 . 1 1 453 453 TRP H H 453 7.654 7.654 7.441 0.213 25680 186 1 3 . 1 1 454 454 GLU HA H 454 4.170 4.170 4.482 -0.312 25680 187 1 3 . 1 1 454 454 GLU H H 454 7.109 7.109 7.208 -0.099 25680 188 1 3 . 1 1 455 455 SER HA H 455 5.831 5.831 5.630 0.201 25680 189 1 3 . 1 1 455 455 SER H H 455 8.288 8.288 8.602 -0.314 25680 190 1 3 . 1 1 456 456 THR HA H 456 4.624 4.624 4.660 -0.036 25680 191 1 3 . 1 1 456 456 THR H H 456 9.146 9.146 9.094 0.052 25680 192 1 3 . 1 1 457 457 TRP HA H 457 4.796 4.796 5.194 -0.398 25680 193 1 3 . 1 1 457 457 TRP H H 457 8.307 8.307 8.633 -0.326 25680 194 1 3 . 1 1 458 458 GLU HA H 458 4.174 4.174 4.393 -0.219 25680 195 1 3 . 1 1 458 458 GLU H H 458 8.001 8.001 7.661 0.340 25680 196 1 3 . 1 1 459 459 LYS HA H 459 2.523 2.523 3.901 -1.378 25680 197 1 3 . 1 1 459 459 LYS H H 459 8.203 8.203 8.126 0.077 25680 198 1 3 . 1 1 460 460 PRO HA H 460 3.703 3.703 4.186 -0.483 25680 199 1 3 . 1 1 461 461 GLN HA H 461 3.575 3.575 3.865 -0.290 25680 200 1 3 . 1 1 461 461 GLN H H 461 8.340 8.340 8.701 -0.361 25680 201 1 3 . 1 1 462 462 GLU HA H 462 3.936 3.936 4.236 -0.300 25680 202 1 3 . 1 1 462 462 GLU H H 462 8.860 8.860 8.551 0.309 25680 203 1 3 . 1 1 463 463 LEU HA H 463 4.196 4.196 5.060 -0.864 25680 204 1 3 . 1 1 463 463 LEU H H 463 7.395 7.395 8.062 -0.667 25680 205 1 4 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.062 0.097 25680 206 1 4 . 1 1 429 429 ALA H H 429 8.092 8.092 8.559 -0.467 25680 207 1 4 . 1 1 430 430 THR HA H 430 4.095 4.095 4.317 -0.222 25680 208 1 4 . 1 1 430 430 THR H H 430 8.044 8.044 8.062 -0.018 25680 209 1 4 . 1 1 431 431 ALA HA H 431 4.155 4.155 4.097 0.058 25680 210 1 4 . 1 1 431 431 ALA H H 431 8.167 8.167 8.193 -0.026 25680 211 1 4 . 1 1 432 432 VAL HA H 432 3.900 3.900 3.797 0.103 25680 212 1 4 . 1 1 432 432 VAL H H 432 8.032 8.032 7.854 0.178 25680 213 1 4 . 1 1 433 433 SER HA H 433 4.289 4.289 4.195 0.094 25680 214 1 4 . 1 1 433 433 SER H H 433 8.223 8.223 8.632 -0.409 25680 215 1 4 . 1 1 434 434 GLU HA H 434 3.965 3.965 4.463 -0.498 25680 216 1 4 . 1 1 434 434 GLU H H 434 8.644 8.644 9.017 -0.373 25680 217 1 4 . 1 1 435 435 TRP HA H 435 5.139 5.139 5.130 0.009 25680 218 1 4 . 1 1 435 435 TRP H H 435 8.051 8.051 7.689 0.362 25680 219 1 4 . 1 1 436 436 THR HA H 436 4.343 4.343 4.612 -0.269 25680 220 1 4 . 1 1 436 436 THR H H 436 9.331 9.331 9.161 0.170 25680 221 1 4 . 1 1 437 437 GLU HA H 437 4.187 4.187 4.610 -0.423 25680 222 1 4 . 1 1 437 437 GLU H H 437 8.371 8.371 8.598 -0.227 25680 223 1 4 . 1 1 438 438 TYR HA H 438 4.367 4.367 4.486 -0.119 25680 224 1 4 . 1 1 438 438 TYR H H 438 8.463 8.463 8.433 0.030 25680 225 1 4 . 1 1 439 439 LYS HA H 439 5.253 5.253 5.152 0.101 25680 226 1 4 . 1 1 439 439 LYS H H 439 7.992 7.992 8.471 -0.479 25680 227 1 4 . 1 1 440 440 THR HA H 440 4.460 4.460 4.716 -0.256 25680 228 1 4 . 1 1 440 440 THR H H 440 9.072 9.072 8.569 0.503 25680 229 1 4 . 1 1 441 441 ALA HA H 441 3.950 3.950 4.003 -0.053 25680 230 1 4 . 1 1 441 441 ALA H H 441 9.025 9.025 8.800 0.225 25680 231 1 4 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.562 -0.103 25680 232 1 4 . 1 1 442 442 ASP H H 442 7.874 7.874 8.093 -0.219 25680 233 1 4 . 1 1 443 443 GLY H H 443 7.818 7.818 8.247 -0.429 25680 234 1 4 . 1 1 444 444 LYS HA H 444 4.350 4.350 4.768 -0.418 25680 235 1 4 . 1 1 444 444 LYS H H 444 7.716 7.716 8.229 -0.513 25680 236 1 4 . 1 1 445 445 THR HA H 445 4.781 4.781 5.207 -0.426 25680 237 1 4 . 1 1 445 445 THR H H 445 8.526 8.526 8.731 -0.205 25680 238 1 4 . 1 1 446 446 TYR HA H 446 4.501 4.501 4.842 -0.341 25680 239 1 4 . 1 1 446 446 TYR H H 446 8.551 8.551 8.729 -0.178 25680 240 1 4 . 1 1 447 447 TYR HA H 447 4.970 4.970 5.294 -0.324 25680 241 1 4 . 1 1 447 447 TYR H H 447 8.668 8.668 9.206 -0.538 25680 242 1 4 . 1 1 448 448 TYR HA H 448 5.408 5.408 5.546 -0.138 25680 243 1 4 . 1 1 448 448 TYR H H 448 9.188 9.188 9.720 -0.532 25680 244 1 4 . 1 1 449 449 ASN HA H 449 4.042 4.042 4.305 -0.263 25680 245 1 4 . 1 1 449 449 ASN H H 449 8.112 8.112 8.285 -0.173 25680 246 1 4 . 1 1 450 450 ASN HA H 450 3.968 3.968 4.101 -0.133 25680 247 1 4 . 1 1 450 450 ASN H H 450 8.382 8.382 8.357 0.025 25680 248 1 4 . 1 1 451 451 ARG HA H 451 3.975 3.975 4.207 -0.232 25680 249 1 4 . 1 1 451 451 ARG H H 451 8.316 8.316 8.155 0.161 25680 250 1 4 . 1 1 452 452 THR HA H 452 3.464 3.464 4.459 -0.995 25680 251 1 4 . 1 1 452 452 THR H H 452 7.579 7.579 7.538 0.041 25680 252 1 4 . 1 1 453 453 TRP HA H 453 4.065 4.065 4.069 -0.004 25680 253 1 4 . 1 1 453 453 TRP H H 453 7.654 7.654 8.146 -0.492 25680 254 1 4 . 1 1 454 454 GLU HA H 454 4.170 4.170 4.584 -0.414 25680 255 1 4 . 1 1 454 454 GLU H H 454 7.109 7.109 7.300 -0.191 25680 256 1 4 . 1 1 455 455 SER HA H 455 5.831 5.831 5.813 0.018 25680 257 1 4 . 1 1 455 455 SER H H 455 8.288 8.288 8.616 -0.328 25680 258 1 4 . 1 1 456 456 THR HA H 456 4.624 4.624 4.696 -0.072 25680 259 1 4 . 1 1 456 456 THR H H 456 9.146 9.146 9.010 0.136 25680 260 1 4 . 1 1 457 457 TRP HA H 457 4.796 4.796 5.008 -0.212 25680 261 1 4 . 1 1 457 457 TRP H H 457 8.307 8.307 8.758 -0.451 25680 262 1 4 . 1 1 458 458 GLU HA H 458 4.174 4.174 4.670 -0.496 25680 263 1 4 . 1 1 458 458 GLU H H 458 8.001 8.001 7.623 0.378 25680 264 1 4 . 1 1 459 459 LYS HA H 459 2.523 2.523 4.140 -1.617 25680 265 1 4 . 1 1 459 459 LYS H H 459 8.203 8.203 8.449 -0.246 25680 266 1 4 . 1 1 460 460 PRO HA H 460 3.703 3.703 3.883 -0.180 25680 267 1 4 . 1 1 461 461 GLN HA H 461 3.575 3.575 3.900 -0.325 25680 268 1 4 . 1 1 461 461 GLN H H 461 8.340 8.340 8.496 -0.156 25680 269 1 4 . 1 1 462 462 GLU HA H 462 3.936 3.936 4.245 -0.309 25680 270 1 4 . 1 1 462 462 GLU H H 462 8.860 8.860 8.327 0.533 25680 271 1 4 . 1 1 463 463 LEU HA H 463 4.196 4.196 4.557 -0.361 25680 272 1 4 . 1 1 463 463 LEU H H 463 7.395 7.395 7.471 -0.076 25680 273 1 5 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.794 -0.635 25680 274 1 5 . 1 1 429 429 ALA H H 429 8.092 8.092 8.291 -0.199 25680 275 1 5 . 1 1 430 430 THR HA H 430 4.095 4.095 3.979 0.116 25680 276 1 5 . 1 1 430 430 THR H H 430 8.044 8.044 8.593 -0.549 25680 277 1 5 . 1 1 431 431 ALA HA H 431 4.155 4.155 4.556 -0.401 25680 278 1 5 . 1 1 431 431 ALA H H 431 8.167 8.167 7.619 0.548 25680 279 1 5 . 1 1 432 432 VAL HA H 432 3.900 3.900 4.371 -0.471 25680 280 1 5 . 1 1 432 432 VAL H H 432 8.032 8.032 8.205 -0.173 25680 281 1 5 . 1 1 433 433 SER HA H 433 4.289 4.289 4.109 0.180 25680 282 1 5 . 1 1 433 433 SER H H 433 8.223 8.223 9.285 -1.062 25680 283 1 5 . 1 1 434 434 GLU HA H 434 3.965 3.965 4.362 -0.397 25680 284 1 5 . 1 1 434 434 GLU H H 434 8.644 8.644 9.096 -0.452 25680 285 1 5 . 1 1 435 435 TRP HA H 435 5.139 5.139 5.059 0.080 25680 286 1 5 . 1 1 435 435 TRP H H 435 8.051 8.051 7.750 0.301 25680 287 1 5 . 1 1 436 436 THR HA H 436 4.343 4.343 4.459 -0.116 25680 288 1 5 . 1 1 436 436 THR H H 436 9.331 9.331 9.001 0.330 25680 289 1 5 . 1 1 437 437 GLU HA H 437 4.187 4.187 4.439 -0.252 25680 290 1 5 . 1 1 437 437 GLU H H 437 8.371 8.371 8.526 -0.155 25680 291 1 5 . 1 1 438 438 TYR HA H 438 4.367 4.367 4.493 -0.126 25680 292 1 5 . 1 1 438 438 TYR H H 438 8.463 8.463 8.359 0.104 25680 293 1 5 . 1 1 439 439 LYS HA H 439 5.253 5.253 5.084 0.169 25680 294 1 5 . 1 1 439 439 LYS H H 439 7.992 7.992 8.339 -0.347 25680 295 1 5 . 1 1 440 440 THR HA H 440 4.460 4.460 4.639 -0.179 25680 296 1 5 . 1 1 440 440 THR H H 440 9.072 9.072 8.255 0.817 25680 297 1 5 . 1 1 441 441 ALA HA H 441 3.950 3.950 4.036 -0.086 25680 298 1 5 . 1 1 441 441 ALA H H 441 9.025 9.025 8.658 0.367 25680 299 1 5 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.528 -0.069 25680 300 1 5 . 1 1 442 442 ASP H H 442 7.874 7.874 8.064 -0.190 25680 301 1 5 . 1 1 443 443 GLY H H 443 7.818 7.818 8.291 -0.473 25680 302 1 5 . 1 1 444 444 LYS HA H 444 4.350 4.350 4.724 -0.374 25680 303 1 5 . 1 1 444 444 LYS H H 444 7.716 7.716 7.895 -0.179 25680 304 1 5 . 1 1 445 445 THR HA H 445 4.781 4.781 5.166 -0.385 25680 305 1 5 . 1 1 445 445 THR H H 445 8.526 8.526 8.782 -0.256 25680 306 1 5 . 1 1 446 446 TYR HA H 446 4.501 4.501 4.712 -0.211 25680 307 1 5 . 1 1 446 446 TYR H H 446 8.551 8.551 8.650 -0.099 25680 308 1 5 . 1 1 447 447 TYR HA H 447 4.970 4.970 5.221 -0.251 25680 309 1 5 . 1 1 447 447 TYR H H 447 8.668 8.668 9.249 -0.581 25680 310 1 5 . 1 1 448 448 TYR HA H 448 5.408 5.408 5.665 -0.257 25680 311 1 5 . 1 1 448 448 TYR H H 448 9.188 9.188 9.434 -0.246 25680 312 1 5 . 1 1 449 449 ASN HA H 449 4.042 4.042 4.571 -0.529 25680 313 1 5 . 1 1 449 449 ASN H H 449 8.112 8.112 8.212 -0.100 25680 314 1 5 . 1 1 450 450 ASN HA H 450 3.968 3.968 4.267 -0.299 25680 315 1 5 . 1 1 450 450 ASN H H 450 8.382 8.382 8.473 -0.091 25680 316 1 5 . 1 1 451 451 ARG HA H 451 3.975 3.975 4.214 -0.239 25680 317 1 5 . 1 1 451 451 ARG H H 451 8.316 8.316 8.219 0.097 25680 318 1 5 . 1 1 452 452 THR HA H 452 3.464 3.464 4.469 -1.005 25680 319 1 5 . 1 1 452 452 THR H H 452 7.579 7.579 7.529 0.050 25680 320 1 5 . 1 1 453 453 TRP HA H 453 4.065 4.065 3.722 0.343 25680 321 1 5 . 1 1 453 453 TRP H H 453 7.654 7.654 8.237 -0.583 25680 322 1 5 . 1 1 454 454 GLU HA H 454 4.170 4.170 4.515 -0.345 25680 323 1 5 . 1 1 454 454 GLU H H 454 7.109 7.109 7.154 -0.045 25680 324 1 5 . 1 1 455 455 SER HA H 455 5.831 5.831 5.694 0.137 25680 325 1 5 . 1 1 455 455 SER H H 455 8.288 8.288 8.577 -0.289 25680 326 1 5 . 1 1 456 456 THR HA H 456 4.624 4.624 4.748 -0.124 25680 327 1 5 . 1 1 456 456 THR H H 456 9.146 9.146 8.873 0.273 25680 328 1 5 . 1 1 457 457 TRP HA H 457 4.796 4.796 5.011 -0.215 25680 329 1 5 . 1 1 457 457 TRP H H 457 8.307 8.307 8.894 -0.587 25680 330 1 5 . 1 1 458 458 GLU HA H 458 4.174 4.174 4.578 -0.404 25680 331 1 5 . 1 1 458 458 GLU H H 458 8.001 8.001 7.697 0.304 25680 332 1 5 . 1 1 459 459 LYS HA H 459 2.523 2.523 3.667 -1.144 25680 333 1 5 . 1 1 459 459 LYS H H 459 8.203 8.203 8.356 -0.153 25680 334 1 5 . 1 1 460 460 PRO HA H 460 3.703 3.703 3.857 -0.154 25680 335 1 5 . 1 1 461 461 GLN HA H 461 3.575 3.575 3.883 -0.308 25680 336 1 5 . 1 1 461 461 GLN H H 461 8.340 8.340 8.557 -0.217 25680 337 1 5 . 1 1 462 462 GLU HA H 462 3.936 3.936 4.356 -0.420 25680 338 1 5 . 1 1 462 462 GLU H H 462 8.860 8.860 8.211 0.649 25680 339 1 5 . 1 1 463 463 LEU HA H 463 4.196 4.196 4.627 -0.431 25680 340 1 5 . 1 1 463 463 LEU H H 463 7.395 7.395 7.766 -0.371 25680 341 1 6 . 1 1 429 429 ALA HA H 429 4.159 4.159 5.024 -0.865 25680 342 1 6 . 1 1 429 429 ALA H H 429 8.092 8.092 8.163 -0.071 25680 343 1 6 . 1 1 430 430 THR HA H 430 4.095 4.095 4.456 -0.361 25680 344 1 6 . 1 1 430 430 THR H H 430 8.044 8.044 9.545 -1.501 25680 345 1 6 . 1 1 431 431 ALA HA H 431 4.155 4.155 4.536 -0.381 25680 346 1 6 . 1 1 431 431 ALA H H 431 8.167 8.167 8.796 -0.629 25680 347 1 6 . 1 1 432 432 VAL HA H 432 3.900 3.900 4.471 -0.571 25680 348 1 6 . 1 1 432 432 VAL H H 432 8.032 8.032 8.331 -0.299 25680 349 1 6 . 1 1 433 433 SER HA H 433 4.289 4.289 4.199 0.090 25680 350 1 6 . 1 1 433 433 SER H H 433 8.223 8.223 9.028 -0.805 25680 351 1 6 . 1 1 434 434 GLU HA H 434 3.965 3.965 4.330 -0.365 25680 352 1 6 . 1 1 434 434 GLU H H 434 8.644 8.644 8.078 0.566 25680 353 1 6 . 1 1 435 435 TRP HA H 435 5.139 5.139 5.612 -0.473 25680 354 1 6 . 1 1 435 435 TRP H H 435 8.051 8.051 8.006 0.045 25680 355 1 6 . 1 1 436 436 THR HA H 436 4.343 4.343 4.616 -0.273 25680 356 1 6 . 1 1 436 436 THR H H 436 9.331 9.331 9.247 0.084 25680 357 1 6 . 1 1 437 437 GLU HA H 437 4.187 4.187 5.151 -0.964 25680 358 1 6 . 1 1 437 437 GLU H H 437 8.371 8.371 8.394 -0.023 25680 359 1 6 . 1 1 438 438 TYR HA H 438 4.367 4.367 4.494 -0.127 25680 360 1 6 . 1 1 438 438 TYR H H 438 8.463 8.463 7.912 0.551 25680 361 1 6 . 1 1 439 439 LYS HA H 439 5.253 5.253 4.853 0.400 25680 362 1 6 . 1 1 439 439 LYS H H 439 7.992 7.992 8.475 -0.483 25680 363 1 6 . 1 1 440 440 THR HA H 440 4.460 4.460 4.633 -0.173 25680 364 1 6 . 1 1 440 440 THR H H 440 9.072 9.072 8.233 0.839 25680 365 1 6 . 1 1 441 441 ALA HA H 441 3.950 3.950 3.970 -0.020 25680 366 1 6 . 1 1 441 441 ALA H H 441 9.025 9.025 8.757 0.268 25680 367 1 6 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.590 -0.131 25680 368 1 6 . 1 1 442 442 ASP H H 442 7.874 7.874 7.910 -0.036 25680 369 1 6 . 1 1 443 443 GLY H H 443 7.818 7.818 8.434 -0.616 25680 370 1 6 . 1 1 444 444 LYS HA H 444 4.350 4.350 4.738 -0.388 25680 371 1 6 . 1 1 444 444 LYS H H 444 7.716 7.716 8.061 -0.345 25680 372 1 6 . 1 1 445 445 THR HA H 445 4.781 4.781 4.794 -0.013 25680 373 1 6 . 1 1 445 445 THR H H 445 8.526 8.526 8.851 -0.325 25680 374 1 6 . 1 1 446 446 TYR HA H 446 4.501 4.501 4.203 0.298 25680 375 1 6 . 1 1 446 446 TYR H H 446 8.551 8.551 7.802 0.749 25680 376 1 6 . 1 1 447 447 TYR HA H 447 4.970 4.970 4.928 0.042 25680 377 1 6 . 1 1 447 447 TYR H H 447 8.668 8.668 8.839 -0.171 25680 378 1 6 . 1 1 448 448 TYR HA H 448 5.408 5.408 5.608 -0.200 25680 379 1 6 . 1 1 448 448 TYR H H 448 9.188 9.188 9.522 -0.334 25680 380 1 6 . 1 1 449 449 ASN HA H 449 4.042 4.042 4.661 -0.619 25680 381 1 6 . 1 1 449 449 ASN H H 449 8.112 8.112 8.129 -0.017 25680 382 1 6 . 1 1 450 450 ASN HA H 450 3.968 3.968 4.289 -0.321 25680 383 1 6 . 1 1 450 450 ASN H H 450 8.382 8.382 8.948 -0.566 25680 384 1 6 . 1 1 451 451 ARG HA H 451 3.975 3.975 4.161 -0.186 25680 385 1 6 . 1 1 451 451 ARG H H 451 8.316 8.316 7.932 0.384 25680 386 1 6 . 1 1 452 452 THR HA H 452 3.464 3.464 4.477 -1.013 25680 387 1 6 . 1 1 452 452 THR H H 452 7.579 7.579 8.366 -0.787 25680 388 1 6 . 1 1 453 453 TRP HA H 453 4.065 4.065 3.922 0.143 25680 389 1 6 . 1 1 453 453 TRP H H 453 7.654 7.654 7.518 0.136 25680 390 1 6 . 1 1 454 454 GLU HA H 454 4.170 4.170 4.510 -0.340 25680 391 1 6 . 1 1 454 454 GLU H H 454 7.109 7.109 7.281 -0.172 25680 392 1 6 . 1 1 455 455 SER HA H 455 5.831 5.831 5.430 0.401 25680 393 1 6 . 1 1 455 455 SER H H 455 8.288 8.288 8.741 -0.453 25680 394 1 6 . 1 1 456 456 THR HA H 456 4.624 4.624 4.670 -0.046 25680 395 1 6 . 1 1 456 456 THR H H 456 9.146 9.146 8.851 0.295 25680 396 1 6 . 1 1 457 457 TRP HA H 457 4.796 4.796 5.007 -0.211 25680 397 1 6 . 1 1 457 457 TRP H H 457 8.307 8.307 8.684 -0.377 25680 398 1 6 . 1 1 458 458 GLU HA H 458 4.174 4.174 4.533 -0.359 25680 399 1 6 . 1 1 458 458 GLU H H 458 8.001 8.001 7.636 0.365 25680 400 1 6 . 1 1 459 459 LYS HA H 459 2.523 2.523 3.645 -1.122 25680 401 1 6 . 1 1 459 459 LYS H H 459 8.203 8.203 8.341 -0.138 25680 402 1 6 . 1 1 460 460 PRO HA H 460 3.703 3.703 4.133 -0.430 25680 403 1 6 . 1 1 461 461 GLN HA H 461 3.575 3.575 3.912 -0.337 25680 404 1 6 . 1 1 461 461 GLN H H 461 8.340 8.340 8.634 -0.294 25680 405 1 6 . 1 1 462 462 GLU HA H 462 3.936 3.936 4.221 -0.285 25680 406 1 6 . 1 1 462 462 GLU H H 462 8.860 8.860 8.179 0.681 25680 407 1 6 . 1 1 463 463 LEU HA H 463 4.196 4.196 4.665 -0.469 25680 408 1 6 . 1 1 463 463 LEU H H 463 7.395 7.395 7.592 -0.197 25680 409 1 7 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.547 -0.388 25680 410 1 7 . 1 1 429 429 ALA H H 429 8.092 8.092 8.400 -0.308 25680 411 1 7 . 1 1 430 430 THR HA H 430 4.095 4.095 4.289 -0.194 25680 412 1 7 . 1 1 430 430 THR H H 430 8.044 8.044 8.290 -0.246 25680 413 1 7 . 1 1 431 431 ALA HA H 431 4.155 4.155 3.993 0.162 25680 414 1 7 . 1 1 431 431 ALA H H 431 8.167 8.167 8.731 -0.564 25680 415 1 7 . 1 1 432 432 VAL HA H 432 3.900 3.900 4.568 -0.668 25680 416 1 7 . 1 1 432 432 VAL H H 432 8.032 8.032 8.155 -0.123 25680 417 1 7 . 1 1 433 433 SER HA H 433 4.289 4.289 4.230 0.059 25680 418 1 7 . 1 1 433 433 SER H H 433 8.223 8.223 8.703 -0.480 25680 419 1 7 . 1 1 434 434 GLU HA H 434 3.965 3.965 4.231 -0.266 25680 420 1 7 . 1 1 434 434 GLU H H 434 8.644 8.644 8.562 0.082 25680 421 1 7 . 1 1 435 435 TRP HA H 435 5.139 5.139 5.275 -0.136 25680 422 1 7 . 1 1 435 435 TRP H H 435 8.051 8.051 7.812 0.239 25680 423 1 7 . 1 1 436 436 THR HA H 436 4.343 4.343 4.558 -0.215 25680 424 1 7 . 1 1 436 436 THR H H 436 9.331 9.331 9.046 0.285 25680 425 1 7 . 1 1 437 437 GLU HA H 437 4.187 4.187 4.380 -0.193 25680 426 1 7 . 1 1 437 437 GLU H H 437 8.371 8.371 8.508 -0.137 25680 427 1 7 . 1 1 438 438 TYR HA H 438 4.367 4.367 4.499 -0.132 25680 428 1 7 . 1 1 438 438 TYR H H 438 8.463 8.463 7.873 0.590 25680 429 1 7 . 1 1 439 439 LYS HA H 439 5.253 5.253 5.255 -0.002 25680 430 1 7 . 1 1 439 439 LYS H H 439 7.992 7.992 8.414 -0.422 25680 431 1 7 . 1 1 440 440 THR HA H 440 4.460 4.460 4.706 -0.246 25680 432 1 7 . 1 1 440 440 THR H H 440 9.072 9.072 8.472 0.600 25680 433 1 7 . 1 1 441 441 ALA HA H 441 3.950 3.950 4.063 -0.113 25680 434 1 7 . 1 1 441 441 ALA H H 441 9.025 9.025 8.816 0.209 25680 435 1 7 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.594 -0.135 25680 436 1 7 . 1 1 442 442 ASP H H 442 7.874 7.874 8.292 -0.418 25680 437 1 7 . 1 1 443 443 GLY H H 443 7.818 7.818 8.399 -0.581 25680 438 1 7 . 1 1 444 444 LYS HA H 444 4.350 4.350 4.713 -0.363 25680 439 1 7 . 1 1 444 444 LYS H H 444 7.716 7.716 8.067 -0.351 25680 440 1 7 . 1 1 445 445 THR HA H 445 4.781 4.781 4.867 -0.086 25680 441 1 7 . 1 1 445 445 THR H H 445 8.526 8.526 8.806 -0.280 25680 442 1 7 . 1 1 446 446 TYR HA H 446 4.501 4.501 4.554 -0.053 25680 443 1 7 . 1 1 446 446 TYR H H 446 8.551 8.551 8.318 0.233 25680 444 1 7 . 1 1 447 447 TYR HA H 447 4.970 4.970 5.074 -0.104 25680 445 1 7 . 1 1 447 447 TYR H H 447 8.668 8.668 8.997 -0.329 25680 446 1 7 . 1 1 448 448 TYR HA H 448 5.408 5.408 5.430 -0.022 25680 447 1 7 . 1 1 448 448 TYR H H 448 9.188 9.188 9.689 -0.501 25680 448 1 7 . 1 1 449 449 ASN HA H 449 4.042 4.042 4.450 -0.408 25680 449 1 7 . 1 1 449 449 ASN H H 449 8.112 8.112 8.342 -0.230 25680 450 1 7 . 1 1 450 450 ASN HA H 450 3.968 3.968 4.125 -0.157 25680 451 1 7 . 1 1 450 450 ASN H H 450 8.382 8.382 8.453 -0.071 25680 452 1 7 . 1 1 451 451 ARG HA H 451 3.975 3.975 4.213 -0.238 25680 453 1 7 . 1 1 451 451 ARG H H 451 8.316 8.316 8.025 0.291 25680 454 1 7 . 1 1 452 452 THR HA H 452 3.464 3.464 4.439 -0.975 25680 455 1 7 . 1 1 452 452 THR H H 452 7.579 7.579 7.655 -0.076 25680 456 1 7 . 1 1 453 453 TRP HA H 453 4.065 4.065 4.002 0.063 25680 457 1 7 . 1 1 453 453 TRP H H 453 7.654 7.654 7.651 0.003 25680 458 1 7 . 1 1 454 454 GLU HA H 454 4.170 4.170 4.562 -0.392 25680 459 1 7 . 1 1 454 454 GLU H H 454 7.109 7.109 7.329 -0.220 25680 460 1 7 . 1 1 455 455 SER HA H 455 5.831 5.831 5.560 0.271 25680 461 1 7 . 1 1 455 455 SER H H 455 8.288 8.288 8.740 -0.452 25680 462 1 7 . 1 1 456 456 THR HA H 456 4.624 4.624 4.791 -0.167 25680 463 1 7 . 1 1 456 456 THR H H 456 9.146 9.146 9.119 0.027 25680 464 1 7 . 1 1 457 457 TRP HA H 457 4.796 4.796 4.813 -0.017 25680 465 1 7 . 1 1 457 457 TRP H H 457 8.307 8.307 8.747 -0.440 25680 466 1 7 . 1 1 458 458 GLU HA H 458 4.174 4.174 4.506 -0.332 25680 467 1 7 . 1 1 458 458 GLU H H 458 8.001 8.001 8.083 -0.082 25680 468 1 7 . 1 1 459 459 LYS HA H 459 2.523 2.523 4.308 -1.785 25680 469 1 7 . 1 1 459 459 LYS H H 459 8.203 8.203 8.456 -0.253 25680 470 1 7 . 1 1 460 460 PRO HA H 460 3.703 3.703 4.123 -0.420 25680 471 1 7 . 1 1 461 461 GLN HA H 461 3.575 3.575 3.914 -0.339 25680 472 1 7 . 1 1 461 461 GLN H H 461 8.340 8.340 8.526 -0.186 25680 473 1 7 . 1 1 462 462 GLU HA H 462 3.936 3.936 4.089 -0.153 25680 474 1 7 . 1 1 462 462 GLU H H 462 8.860 8.860 8.336 0.524 25680 475 1 7 . 1 1 463 463 LEU HA H 463 4.196 4.196 4.443 -0.247 25680 476 1 7 . 1 1 463 463 LEU H H 463 7.395 7.395 7.423 -0.028 25680 477 1 8 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.553 -0.394 25680 478 1 8 . 1 1 429 429 ALA H H 429 8.092 8.092 8.434 -0.342 25680 479 1 8 . 1 1 430 430 THR HA H 430 4.095 4.095 4.271 -0.176 25680 480 1 8 . 1 1 430 430 THR H H 430 8.044 8.044 7.854 0.190 25680 481 1 8 . 1 1 431 431 ALA HA H 431 4.155 4.155 4.303 -0.148 25680 482 1 8 . 1 1 431 431 ALA H H 431 8.167 8.167 7.417 0.750 25680 483 1 8 . 1 1 432 432 VAL HA H 432 3.900 3.900 4.043 -0.143 25680 484 1 8 . 1 1 432 432 VAL H H 432 8.032 8.032 9.239 -1.207 25680 485 1 8 . 1 1 433 433 SER HA H 433 4.289 4.289 4.147 0.142 25680 486 1 8 . 1 1 433 433 SER H H 433 8.223 8.223 8.982 -0.759 25680 487 1 8 . 1 1 434 434 GLU HA H 434 3.965 3.965 4.259 -0.294 25680 488 1 8 . 1 1 434 434 GLU H H 434 8.644 8.644 8.445 0.199 25680 489 1 8 . 1 1 435 435 TRP HA H 435 5.139 5.139 5.299 -0.160 25680 490 1 8 . 1 1 435 435 TRP H H 435 8.051 8.051 7.891 0.160 25680 491 1 8 . 1 1 436 436 THR HA H 436 4.343 4.343 4.550 -0.207 25680 492 1 8 . 1 1 436 436 THR H H 436 9.331 9.331 9.031 0.300 25680 493 1 8 . 1 1 437 437 GLU HA H 437 4.187 4.187 4.567 -0.380 25680 494 1 8 . 1 1 437 437 GLU H H 437 8.371 8.371 8.467 -0.096 25680 495 1 8 . 1 1 438 438 TYR HA H 438 4.367 4.367 4.583 -0.216 25680 496 1 8 . 1 1 438 438 TYR H H 438 8.463 8.463 8.069 0.394 25680 497 1 8 . 1 1 439 439 LYS HA H 439 5.253 5.253 5.373 -0.120 25680 498 1 8 . 1 1 439 439 LYS H H 439 7.992 7.992 8.585 -0.593 25680 499 1 8 . 1 1 440 440 THR HA H 440 4.460 4.460 4.721 -0.261 25680 500 1 8 . 1 1 440 440 THR H H 440 9.072 9.072 8.825 0.247 25680 501 1 8 . 1 1 441 441 ALA HA H 441 3.950 3.950 4.077 -0.127 25680 502 1 8 . 1 1 441 441 ALA H H 441 9.025 9.025 8.874 0.151 25680 503 1 8 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.566 -0.107 25680 504 1 8 . 1 1 442 442 ASP H H 442 7.874 7.874 8.101 -0.227 25680 505 1 8 . 1 1 443 443 GLY H H 443 7.818 7.818 8.376 -0.558 25680 506 1 8 . 1 1 444 444 LYS HA H 444 4.350 4.350 4.735 -0.385 25680 507 1 8 . 1 1 444 444 LYS H H 444 7.716 7.716 7.916 -0.200 25680 508 1 8 . 1 1 445 445 THR HA H 445 4.781 4.781 5.016 -0.235 25680 509 1 8 . 1 1 445 445 THR H H 445 8.526 8.526 8.872 -0.346 25680 510 1 8 . 1 1 446 446 TYR HA H 446 4.501 4.501 4.605 -0.104 25680 511 1 8 . 1 1 446 446 TYR H H 446 8.551 8.551 8.489 0.062 25680 512 1 8 . 1 1 447 447 TYR HA H 447 4.970 4.970 5.138 -0.168 25680 513 1 8 . 1 1 447 447 TYR H H 447 8.668 8.668 8.992 -0.324 25680 514 1 8 . 1 1 448 448 TYR HA H 448 5.408 5.408 5.621 -0.213 25680 515 1 8 . 1 1 448 448 TYR H H 448 9.188 9.188 9.584 -0.396 25680 516 1 8 . 1 1 449 449 ASN HA H 449 4.042 4.042 4.480 -0.438 25680 517 1 8 . 1 1 449 449 ASN H H 449 8.112 8.112 8.370 -0.258 25680 518 1 8 . 1 1 450 450 ASN HA H 450 3.968 3.968 4.496 -0.528 25680 519 1 8 . 1 1 450 450 ASN H H 450 8.382 8.382 8.745 -0.363 25680 520 1 8 . 1 1 451 451 ARG HA H 451 3.975 3.975 4.087 -0.112 25680 521 1 8 . 1 1 451 451 ARG H H 451 8.316 8.316 8.084 0.232 25680 522 1 8 . 1 1 452 452 THR HA H 452 3.464 3.464 4.157 -0.693 25680 523 1 8 . 1 1 452 452 THR H H 452 7.579 7.579 7.385 0.194 25680 524 1 8 . 1 1 453 453 TRP HA H 453 4.065 4.065 3.821 0.244 25680 525 1 8 . 1 1 453 453 TRP H H 453 7.654 7.654 8.103 -0.449 25680 526 1 8 . 1 1 454 454 GLU HA H 454 4.170 4.170 4.556 -0.386 25680 527 1 8 . 1 1 454 454 GLU H H 454 7.109 7.109 7.197 -0.088 25680 528 1 8 . 1 1 455 455 SER HA H 455 5.831 5.831 5.641 0.190 25680 529 1 8 . 1 1 455 455 SER H H 455 8.288 8.288 8.620 -0.332 25680 530 1 8 . 1 1 456 456 THR HA H 456 4.624 4.624 4.670 -0.046 25680 531 1 8 . 1 1 456 456 THR H H 456 9.146 9.146 8.813 0.333 25680 532 1 8 . 1 1 457 457 TRP HA H 457 4.796 4.796 4.848 -0.052 25680 533 1 8 . 1 1 457 457 TRP H H 457 8.307 8.307 8.814 -0.507 25680 534 1 8 . 1 1 458 458 GLU HA H 458 4.174 4.174 4.663 -0.489 25680 535 1 8 . 1 1 458 458 GLU H H 458 8.001 8.001 7.536 0.465 25680 536 1 8 . 1 1 459 459 LYS HA H 459 2.523 2.523 4.457 -1.934 25680 537 1 8 . 1 1 459 459 LYS H H 459 8.203 8.203 8.543 -0.340 25680 538 1 8 . 1 1 460 460 PRO HA H 460 3.703 3.703 4.125 -0.422 25680 539 1 8 . 1 1 461 461 GLN HA H 461 3.575 3.575 3.914 -0.339 25680 540 1 8 . 1 1 461 461 GLN H H 461 8.340 8.340 8.669 -0.329 25680 541 1 8 . 1 1 462 462 GLU HA H 462 3.936 3.936 4.163 -0.227 25680 542 1 8 . 1 1 462 462 GLU H H 462 8.860 8.860 8.456 0.404 25680 543 1 8 . 1 1 463 463 LEU HA H 463 4.196 4.196 4.522 -0.326 25680 544 1 8 . 1 1 463 463 LEU H H 463 7.395 7.395 7.514 -0.119 25680 545 1 9 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.792 -0.633 25680 546 1 9 . 1 1 429 429 ALA H H 429 8.092 8.092 8.247 -0.155 25680 547 1 9 . 1 1 430 430 THR HA H 430 4.095 4.095 4.401 -0.306 25680 548 1 9 . 1 1 430 430 THR H H 430 8.044 8.044 8.336 -0.292 25680 549 1 9 . 1 1 431 431 ALA HA H 431 4.155 4.155 4.464 -0.309 25680 550 1 9 . 1 1 431 431 ALA H H 431 8.167 8.167 7.540 0.627 25680 551 1 9 . 1 1 432 432 VAL HA H 432 3.900 3.900 4.513 -0.613 25680 552 1 9 . 1 1 432 432 VAL H H 432 8.032 8.032 8.189 -0.157 25680 553 1 9 . 1 1 433 433 SER HA H 433 4.289 4.289 4.141 0.148 25680 554 1 9 . 1 1 433 433 SER H H 433 8.223 8.223 9.116 -0.893 25680 555 1 9 . 1 1 434 434 GLU HA H 434 3.965 3.965 4.362 -0.397 25680 556 1 9 . 1 1 434 434 GLU H H 434 8.644 8.644 9.279 -0.635 25680 557 1 9 . 1 1 435 435 TRP HA H 435 5.139 5.139 5.171 -0.032 25680 558 1 9 . 1 1 435 435 TRP H H 435 8.051 8.051 7.602 0.449 25680 559 1 9 . 1 1 436 436 THR HA H 436 4.343 4.343 4.657 -0.314 25680 560 1 9 . 1 1 436 436 THR H H 436 9.331 9.331 9.086 0.245 25680 561 1 9 . 1 1 437 437 GLU HA H 437 4.187 4.187 4.441 -0.254 25680 562 1 9 . 1 1 437 437 GLU H H 437 8.371 8.371 8.682 -0.311 25680 563 1 9 . 1 1 438 438 TYR HA H 438 4.367 4.367 4.466 -0.099 25680 564 1 9 . 1 1 438 438 TYR H H 438 8.463 8.463 7.984 0.479 25680 565 1 9 . 1 1 439 439 LYS HA H 439 5.253 5.253 5.346 -0.093 25680 566 1 9 . 1 1 439 439 LYS H H 439 7.992 7.992 8.400 -0.408 25680 567 1 9 . 1 1 440 440 THR HA H 440 4.460 4.460 4.765 -0.305 25680 568 1 9 . 1 1 440 440 THR H H 440 9.072 9.072 8.650 0.422 25680 569 1 9 . 1 1 441 441 ALA HA H 441 3.950 3.950 4.046 -0.096 25680 570 1 9 . 1 1 441 441 ALA H H 441 9.025 9.025 8.875 0.150 25680 571 1 9 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.570 -0.111 25680 572 1 9 . 1 1 442 442 ASP H H 442 7.874 7.874 8.090 -0.216 25680 573 1 9 . 1 1 443 443 GLY H H 443 7.818 7.818 8.286 -0.468 25680 574 1 9 . 1 1 444 444 LYS HA H 444 4.350 4.350 4.745 -0.395 25680 575 1 9 . 1 1 444 444 LYS H H 444 7.716 7.716 7.756 -0.040 25680 576 1 9 . 1 1 445 445 THR HA H 445 4.781 4.781 5.092 -0.311 25680 577 1 9 . 1 1 445 445 THR H H 445 8.526 8.526 8.799 -0.273 25680 578 1 9 . 1 1 446 446 TYR HA H 446 4.501 4.501 4.667 -0.166 25680 579 1 9 . 1 1 446 446 TYR H H 446 8.551 8.551 8.546 0.005 25680 580 1 9 . 1 1 447 447 TYR HA H 447 4.970 4.970 5.155 -0.185 25680 581 1 9 . 1 1 447 447 TYR H H 447 8.668 8.668 9.097 -0.429 25680 582 1 9 . 1 1 448 448 TYR HA H 448 5.408 5.408 5.306 0.102 25680 583 1 9 . 1 1 448 448 TYR H H 448 9.188 9.188 9.685 -0.497 25680 584 1 9 . 1 1 449 449 ASN HA H 449 4.042 4.042 4.304 -0.262 25680 585 1 9 . 1 1 449 449 ASN H H 449 8.112 8.112 8.236 -0.124 25680 586 1 9 . 1 1 450 450 ASN HA H 450 3.968 3.968 4.146 -0.178 25680 587 1 9 . 1 1 450 450 ASN H H 450 8.382 8.382 8.365 0.017 25680 588 1 9 . 1 1 451 451 ARG HA H 451 3.975 3.975 4.283 -0.308 25680 589 1 9 . 1 1 451 451 ARG H H 451 8.316 8.316 7.932 0.384 25680 590 1 9 . 1 1 452 452 THR HA H 452 3.464 3.464 4.411 -0.947 25680 591 1 9 . 1 1 452 452 THR H H 452 7.579 7.579 8.508 -0.929 25680 592 1 9 . 1 1 453 453 TRP HA H 453 4.065 4.065 3.880 0.185 25680 593 1 9 . 1 1 453 453 TRP H H 453 7.654 7.654 7.819 -0.165 25680 594 1 9 . 1 1 454 454 GLU HA H 454 4.170 4.170 4.572 -0.402 25680 595 1 9 . 1 1 454 454 GLU H H 454 7.109 7.109 7.295 -0.186 25680 596 1 9 . 1 1 455 455 SER HA H 455 5.831 5.831 5.470 0.361 25680 597 1 9 . 1 1 455 455 SER H H 455 8.288 8.288 8.852 -0.564 25680 598 1 9 . 1 1 456 456 THR HA H 456 4.624 4.624 4.768 -0.144 25680 599 1 9 . 1 1 456 456 THR H H 456 9.146 9.146 9.002 0.144 25680 600 1 9 . 1 1 457 457 TRP HA H 457 4.796 4.796 4.973 -0.177 25680 601 1 9 . 1 1 457 457 TRP H H 457 8.307 8.307 8.810 -0.503 25680 602 1 9 . 1 1 458 458 GLU HA H 458 4.174 4.174 4.625 -0.451 25680 603 1 9 . 1 1 458 458 GLU H H 458 8.001 8.001 7.652 0.349 25680 604 1 9 . 1 1 459 459 LYS HA H 459 2.523 2.523 4.077 -1.554 25680 605 1 9 . 1 1 459 459 LYS H H 459 8.203 8.203 8.412 -0.209 25680 606 1 9 . 1 1 460 460 PRO HA H 460 3.703 3.703 3.815 -0.112 25680 607 1 9 . 1 1 461 461 GLN HA H 461 3.575 3.575 3.936 -0.361 25680 608 1 9 . 1 1 461 461 GLN H H 461 8.340 8.340 8.605 -0.265 25680 609 1 9 . 1 1 462 462 GLU HA H 462 3.936 3.936 4.220 -0.284 25680 610 1 9 . 1 1 462 462 GLU H H 462 8.860 8.860 8.551 0.309 25680 611 1 9 . 1 1 463 463 LEU HA H 463 4.196 4.196 4.524 -0.328 25680 612 1 9 . 1 1 463 463 LEU H H 463 7.395 7.395 7.398 -0.003 25680 613 1 10 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.626 -0.467 25680 614 1 10 . 1 1 429 429 ALA H H 429 8.092 8.092 8.211 -0.119 25680 615 1 10 . 1 1 430 430 THR HA H 430 4.095 4.095 4.309 -0.214 25680 616 1 10 . 1 1 430 430 THR H H 430 8.044 8.044 8.498 -0.454 25680 617 1 10 . 1 1 431 431 ALA HA H 431 4.155 4.155 4.637 -0.482 25680 618 1 10 . 1 1 431 431 ALA H H 431 8.167 8.167 7.600 0.567 25680 619 1 10 . 1 1 432 432 VAL HA H 432 3.900 3.900 3.846 0.054 25680 620 1 10 . 1 1 432 432 VAL H H 432 8.032 8.032 8.857 -0.825 25680 621 1 10 . 1 1 433 433 SER HA H 433 4.289 4.289 4.156 0.133 25680 622 1 10 . 1 1 433 433 SER H H 433 8.223 8.223 8.453 -0.230 25680 623 1 10 . 1 1 434 434 GLU HA H 434 3.965 3.965 4.298 -0.333 25680 624 1 10 . 1 1 434 434 GLU H H 434 8.644 8.644 8.284 0.360 25680 625 1 10 . 1 1 435 435 TRP HA H 435 5.139 5.139 5.447 -0.308 25680 626 1 10 . 1 1 435 435 TRP H H 435 8.051 8.051 7.790 0.261 25680 627 1 10 . 1 1 436 436 THR HA H 436 4.343 4.343 4.599 -0.256 25680 628 1 10 . 1 1 436 436 THR H H 436 9.331 9.331 9.078 0.253 25680 629 1 10 . 1 1 437 437 GLU HA H 437 4.187 4.187 4.388 -0.201 25680 630 1 10 . 1 1 437 437 GLU H H 437 8.371 8.371 8.496 -0.125 25680 631 1 10 . 1 1 438 438 TYR HA H 438 4.367 4.367 4.436 -0.069 25680 632 1 10 . 1 1 438 438 TYR H H 438 8.463 8.463 7.958 0.505 25680 633 1 10 . 1 1 439 439 LYS HA H 439 5.253 5.253 4.878 0.375 25680 634 1 10 . 1 1 439 439 LYS H H 439 7.992 7.992 8.416 -0.424 25680 635 1 10 . 1 1 440 440 THR HA H 440 4.460 4.460 4.742 -0.282 25680 636 1 10 . 1 1 440 440 THR H H 440 9.072 9.072 8.419 0.653 25680 637 1 10 . 1 1 441 441 ALA HA H 441 3.950 3.950 4.056 -0.106 25680 638 1 10 . 1 1 441 441 ALA H H 441 9.025 9.025 8.809 0.216 25680 639 1 10 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.558 -0.099 25680 640 1 10 . 1 1 442 442 ASP H H 442 7.874 7.874 8.040 -0.166 25680 641 1 10 . 1 1 443 443 GLY H H 443 7.818 7.818 8.268 -0.450 25680 642 1 10 . 1 1 444 444 LYS HA H 444 4.350 4.350 4.747 -0.397 25680 643 1 10 . 1 1 444 444 LYS H H 444 7.716 7.716 8.228 -0.512 25680 644 1 10 . 1 1 445 445 THR HA H 445 4.781 4.781 4.782 -0.001 25680 645 1 10 . 1 1 445 445 THR H H 445 8.526 8.526 8.819 -0.293 25680 646 1 10 . 1 1 446 446 TYR HA H 446 4.501 4.501 4.611 -0.110 25680 647 1 10 . 1 1 446 446 TYR H H 446 8.551 8.551 8.252 0.299 25680 648 1 10 . 1 1 447 447 TYR HA H 447 4.970 4.970 5.133 -0.163 25680 649 1 10 . 1 1 447 447 TYR H H 447 8.668 8.668 9.064 -0.396 25680 650 1 10 . 1 1 448 448 TYR HA H 448 5.408 5.408 5.320 0.088 25680 651 1 10 . 1 1 448 448 TYR H H 448 9.188 9.188 9.638 -0.450 25680 652 1 10 . 1 1 449 449 ASN HA H 449 4.042 4.042 5.006 -0.964 25680 653 1 10 . 1 1 449 449 ASN H H 449 8.112 8.112 8.475 -0.363 25680 654 1 10 . 1 1 450 450 ASN HA H 450 3.968 3.968 4.503 -0.535 25680 655 1 10 . 1 1 450 450 ASN H H 450 8.382 8.382 8.194 0.188 25680 656 1 10 . 1 1 451 451 ARG HA H 451 3.975 3.975 4.342 -0.367 25680 657 1 10 . 1 1 451 451 ARG H H 451 8.316 8.316 7.746 0.570 25680 658 1 10 . 1 1 452 452 THR HA H 452 3.464 3.464 4.439 -0.975 25680 659 1 10 . 1 1 452 452 THR H H 452 7.579 7.579 8.587 -1.008 25680 660 1 10 . 1 1 453 453 TRP HA H 453 4.065 4.065 3.906 0.159 25680 661 1 10 . 1 1 453 453 TRP H H 453 7.654 7.654 7.918 -0.265 25680 662 1 10 . 1 1 454 454 GLU HA H 454 4.170 4.170 4.423 -0.253 25680 663 1 10 . 1 1 454 454 GLU H H 454 7.109 7.109 7.312 -0.203 25680 664 1 10 . 1 1 455 455 SER HA H 455 5.831 5.831 5.450 0.381 25680 665 1 10 . 1 1 455 455 SER H H 455 8.288 8.288 8.547 -0.259 25680 666 1 10 . 1 1 456 456 THR HA H 456 4.624 4.624 4.735 -0.111 25680 667 1 10 . 1 1 456 456 THR H H 456 9.146 9.146 8.813 0.333 25680 668 1 10 . 1 1 457 457 TRP HA H 457 4.796 4.796 4.998 -0.202 25680 669 1 10 . 1 1 457 457 TRP H H 457 8.307 8.307 8.774 -0.467 25680 670 1 10 . 1 1 458 458 GLU HA H 458 4.174 4.174 4.638 -0.464 25680 671 1 10 . 1 1 458 458 GLU H H 458 8.001 8.001 7.687 0.314 25680 672 1 10 . 1 1 459 459 LYS HA H 459 2.523 2.523 3.879 -1.356 25680 673 1 10 . 1 1 459 459 LYS H H 459 8.203 8.203 8.475 -0.272 25680 674 1 10 . 1 1 460 460 PRO HA H 460 3.703 3.703 3.972 -0.269 25680 675 1 10 . 1 1 461 461 GLN HA H 461 3.575 3.575 3.911 -0.336 25680 676 1 10 . 1 1 461 461 GLN H H 461 8.340 8.340 8.670 -0.330 25680 677 1 10 . 1 1 462 462 GLU HA H 462 3.936 3.936 4.217 -0.281 25680 678 1 10 . 1 1 462 462 GLU H H 462 8.860 8.860 8.386 0.474 25680 679 1 10 . 1 1 463 463 LEU HA H 463 4.196 4.196 4.914 -0.718 25680 680 1 10 . 1 1 463 463 LEU H H 463 7.395 7.395 7.673 -0.278 25680 681 1 11 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.943 -0.784 25680 682 1 11 . 1 1 429 429 ALA H H 429 8.092 8.092 8.125 -0.033 25680 683 1 11 . 1 1 430 430 THR HA H 430 4.095 4.095 3.995 0.100 25680 684 1 11 . 1 1 430 430 THR H H 430 8.044 8.044 8.580 -0.536 25680 685 1 11 . 1 1 431 431 ALA HA H 431 4.155 4.155 4.488 -0.333 25680 686 1 11 . 1 1 431 431 ALA H H 431 8.167 8.167 7.442 0.725 25680 687 1 11 . 1 1 432 432 VAL HA H 432 3.900 3.900 4.388 -0.488 25680 688 1 11 . 1 1 432 432 VAL H H 432 8.032 8.032 8.069 -0.037 25680 689 1 11 . 1 1 433 433 SER HA H 433 4.289 4.289 4.110 0.179 25680 690 1 11 . 1 1 433 433 SER H H 433 8.223 8.223 9.062 -0.839 25680 691 1 11 . 1 1 434 434 GLU HA H 434 3.965 3.965 4.239 -0.274 25680 692 1 11 . 1 1 434 434 GLU H H 434 8.644 8.644 8.716 -0.072 25680 693 1 11 . 1 1 435 435 TRP HA H 435 5.139 5.139 5.375 -0.236 25680 694 1 11 . 1 1 435 435 TRP H H 435 8.051 8.051 7.708 0.343 25680 695 1 11 . 1 1 436 436 THR HA H 436 4.343 4.343 4.535 -0.192 25680 696 1 11 . 1 1 436 436 THR H H 436 9.331 9.331 9.028 0.303 25680 697 1 11 . 1 1 437 437 GLU HA H 437 4.187 4.187 4.468 -0.281 25680 698 1 11 . 1 1 437 437 GLU H H 437 8.371 8.371 8.505 -0.134 25680 699 1 11 . 1 1 438 438 TYR HA H 438 4.367 4.367 4.502 -0.135 25680 700 1 11 . 1 1 438 438 TYR H H 438 8.463 8.463 7.934 0.529 25680 701 1 11 . 1 1 439 439 LYS HA H 439 5.253 5.253 5.135 0.118 25680 702 1 11 . 1 1 439 439 LYS H H 439 7.992 7.992 8.273 -0.281 25680 703 1 11 . 1 1 440 440 THR HA H 440 4.460 4.460 4.788 -0.328 25680 704 1 11 . 1 1 440 440 THR H H 440 9.072 9.072 8.817 0.255 25680 705 1 11 . 1 1 441 441 ALA HA H 441 3.950 3.950 4.002 -0.052 25680 706 1 11 . 1 1 441 441 ALA H H 441 9.025 9.025 8.799 0.226 25680 707 1 11 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.549 -0.090 25680 708 1 11 . 1 1 442 442 ASP H H 442 7.874 7.874 8.049 -0.175 25680 709 1 11 . 1 1 443 443 GLY H H 443 7.818 7.818 8.401 -0.583 25680 710 1 11 . 1 1 444 444 LYS HA H 444 4.350 4.350 4.733 -0.383 25680 711 1 11 . 1 1 444 444 LYS H H 444 7.716 7.716 7.860 -0.144 25680 712 1 11 . 1 1 445 445 THR HA H 445 4.781 4.781 4.780 0.001 25680 713 1 11 . 1 1 445 445 THR H H 445 8.526 8.526 8.857 -0.331 25680 714 1 11 . 1 1 446 446 TYR HA H 446 4.501 4.501 4.269 0.232 25680 715 1 11 . 1 1 446 446 TYR H H 446 8.551 8.551 8.442 0.109 25680 716 1 11 . 1 1 447 447 TYR HA H 447 4.970 4.970 4.972 -0.002 25680 717 1 11 . 1 1 447 447 TYR H H 447 8.668 8.668 8.597 0.071 25680 718 1 11 . 1 1 448 448 TYR HA H 448 5.408 5.408 5.160 0.248 25680 719 1 11 . 1 1 448 448 TYR H H 448 9.188 9.188 9.580 -0.392 25680 720 1 11 . 1 1 449 449 ASN HA H 449 4.042 4.042 4.457 -0.415 25680 721 1 11 . 1 1 449 449 ASN H H 449 8.112 8.112 8.259 -0.147 25680 722 1 11 . 1 1 450 450 ASN HA H 450 3.968 3.968 4.094 -0.126 25680 723 1 11 . 1 1 450 450 ASN H H 450 8.382 8.382 8.661 -0.279 25680 724 1 11 . 1 1 451 451 ARG HA H 451 3.975 3.975 4.193 -0.218 25680 725 1 11 . 1 1 451 451 ARG H H 451 8.316 8.316 7.498 0.818 25680 726 1 11 . 1 1 452 452 THR HA H 452 3.464 3.464 4.467 -1.003 25680 727 1 11 . 1 1 452 452 THR H H 452 7.579 7.579 8.416 -0.837 25680 728 1 11 . 1 1 453 453 TRP HA H 453 4.065 4.065 3.880 0.185 25680 729 1 11 . 1 1 453 453 TRP H H 453 7.654 7.654 7.800 -0.146 25680 730 1 11 . 1 1 454 454 GLU HA H 454 4.170 4.170 4.563 -0.393 25680 731 1 11 . 1 1 454 454 GLU H H 454 7.109 7.109 7.327 -0.218 25680 732 1 11 . 1 1 455 455 SER HA H 455 5.831 5.831 5.892 -0.061 25680 733 1 11 . 1 1 455 455 SER H H 455 8.288 8.288 8.717 -0.429 25680 734 1 11 . 1 1 456 456 THR HA H 456 4.624 4.624 4.612 0.012 25680 735 1 11 . 1 1 456 456 THR H H 456 9.146 9.146 8.832 0.314 25680 736 1 11 . 1 1 457 457 TRP HA H 457 4.796 4.796 4.784 0.012 25680 737 1 11 . 1 1 457 457 TRP H H 457 8.307 8.307 8.589 -0.282 25680 738 1 11 . 1 1 458 458 GLU HA H 458 4.174 4.174 4.410 -0.236 25680 739 1 11 . 1 1 458 458 GLU H H 458 8.001 8.001 7.583 0.418 25680 740 1 11 . 1 1 459 459 LYS HA H 459 2.523 2.523 4.412 -1.889 25680 741 1 11 . 1 1 459 459 LYS H H 459 8.203 8.203 8.384 -0.181 25680 742 1 11 . 1 1 460 460 PRO HA H 460 3.703 3.703 4.224 -0.521 25680 743 1 11 . 1 1 461 461 GLN HA H 461 3.575 3.575 3.933 -0.358 25680 744 1 11 . 1 1 461 461 GLN H H 461 8.340 8.340 8.632 -0.292 25680 745 1 11 . 1 1 462 462 GLU HA H 462 3.936 3.936 4.180 -0.244 25680 746 1 11 . 1 1 462 462 GLU H H 462 8.860 8.860 8.628 0.232 25680 747 1 11 . 1 1 463 463 LEU HA H 463 4.196 4.196 4.399 -0.203 25680 748 1 11 . 1 1 463 463 LEU H H 463 7.395 7.395 7.538 -0.143 25680 749 1 12 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.715 -0.556 25680 750 1 12 . 1 1 429 429 ALA H H 429 8.092 8.092 8.167 -0.075 25680 751 1 12 . 1 1 430 430 THR HA H 430 4.095 4.095 4.358 -0.263 25680 752 1 12 . 1 1 430 430 THR H H 430 8.044 8.044 8.416 -0.372 25680 753 1 12 . 1 1 431 431 ALA HA H 431 4.155 4.155 4.457 -0.302 25680 754 1 12 . 1 1 431 431 ALA H H 431 8.167 8.167 7.580 0.587 25680 755 1 12 . 1 1 432 432 VAL HA H 432 3.900 3.900 4.370 -0.470 25680 756 1 12 . 1 1 432 432 VAL H H 432 8.032 8.032 8.465 -0.433 25680 757 1 12 . 1 1 433 433 SER HA H 433 4.289 4.289 4.215 0.074 25680 758 1 12 . 1 1 433 433 SER H H 433 8.223 8.223 9.088 -0.865 25680 759 1 12 . 1 1 434 434 GLU HA H 434 3.965 3.965 4.418 -0.453 25680 760 1 12 . 1 1 434 434 GLU H H 434 8.644 8.644 9.254 -0.610 25680 761 1 12 . 1 1 435 435 TRP HA H 435 5.139 5.139 5.458 -0.319 25680 762 1 12 . 1 1 435 435 TRP H H 435 8.051 8.051 7.711 0.340 25680 763 1 12 . 1 1 436 436 THR HA H 436 4.343 4.343 4.780 -0.437 25680 764 1 12 . 1 1 436 436 THR H H 436 9.331 9.331 8.939 0.392 25680 765 1 12 . 1 1 437 437 GLU HA H 437 4.187 4.187 5.070 -0.883 25680 766 1 12 . 1 1 437 437 GLU H H 437 8.371 8.371 8.587 -0.216 25680 767 1 12 . 1 1 438 438 TYR HA H 438 4.367 4.367 4.521 -0.154 25680 768 1 12 . 1 1 438 438 TYR H H 438 8.463 8.463 8.208 0.255 25680 769 1 12 . 1 1 439 439 LYS HA H 439 5.253 5.253 4.898 0.355 25680 770 1 12 . 1 1 439 439 LYS H H 439 7.992 7.992 8.508 -0.516 25680 771 1 12 . 1 1 440 440 THR HA H 440 4.460 4.460 4.626 -0.166 25680 772 1 12 . 1 1 440 440 THR H H 440 9.072 9.072 8.505 0.567 25680 773 1 12 . 1 1 441 441 ALA HA H 441 3.950 3.950 4.059 -0.109 25680 774 1 12 . 1 1 441 441 ALA H H 441 9.025 9.025 8.729 0.296 25680 775 1 12 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.531 -0.072 25680 776 1 12 . 1 1 442 442 ASP H H 442 7.874 7.874 8.020 -0.146 25680 777 1 12 . 1 1 443 443 GLY H H 443 7.818 7.818 8.227 -0.409 25680 778 1 12 . 1 1 444 444 LYS HA H 444 4.350 4.350 4.756 -0.406 25680 779 1 12 . 1 1 444 444 LYS H H 444 7.716 7.716 7.902 -0.186 25680 780 1 12 . 1 1 445 445 THR HA H 445 4.781 4.781 5.121 -0.340 25680 781 1 12 . 1 1 445 445 THR H H 445 8.526 8.526 8.782 -0.256 25680 782 1 12 . 1 1 446 446 TYR HA H 446 4.501 4.501 4.127 0.374 25680 783 1 12 . 1 1 446 446 TYR H H 446 8.551 8.551 8.237 0.314 25680 784 1 12 . 1 1 447 447 TYR HA H 447 4.970 4.970 5.043 -0.073 25680 785 1 12 . 1 1 447 447 TYR H H 447 8.668 8.668 8.668 0.000 25680 786 1 12 . 1 1 448 448 TYR HA H 448 5.408 5.408 5.441 -0.033 25680 787 1 12 . 1 1 448 448 TYR H H 448 9.188 9.188 9.510 -0.322 25680 788 1 12 . 1 1 449 449 ASN HA H 449 4.042 4.042 4.416 -0.374 25680 789 1 12 . 1 1 449 449 ASN H H 449 8.112 8.112 8.099 0.013 25680 790 1 12 . 1 1 450 450 ASN HA H 450 3.968 3.968 4.388 -0.420 25680 791 1 12 . 1 1 450 450 ASN H H 450 8.382 8.382 8.105 0.277 25680 792 1 12 . 1 1 451 451 ARG HA H 451 3.975 3.975 4.208 -0.233 25680 793 1 12 . 1 1 451 451 ARG H H 451 8.316 8.316 7.834 0.482 25680 794 1 12 . 1 1 452 452 THR HA H 452 3.464 3.464 4.380 -0.916 25680 795 1 12 . 1 1 452 452 THR H H 452 7.579 7.579 7.687 -0.108 25680 796 1 12 . 1 1 453 453 TRP HA H 453 4.065 4.065 4.043 0.022 25680 797 1 12 . 1 1 453 453 TRP H H 453 7.654 7.654 7.687 -0.033 25680 798 1 12 . 1 1 454 454 GLU HA H 454 4.170 4.170 4.533 -0.363 25680 799 1 12 . 1 1 454 454 GLU H H 454 7.109 7.109 7.278 -0.169 25680 800 1 12 . 1 1 455 455 SER HA H 455 5.831 5.831 5.785 0.046 25680 801 1 12 . 1 1 455 455 SER H H 455 8.288 8.288 8.635 -0.347 25680 802 1 12 . 1 1 456 456 THR HA H 456 4.624 4.624 4.721 -0.097 25680 803 1 12 . 1 1 456 456 THR H H 456 9.146 9.146 8.949 0.197 25680 804 1 12 . 1 1 457 457 TRP HA H 457 4.796 4.796 4.993 -0.197 25680 805 1 12 . 1 1 457 457 TRP H H 457 8.307 8.307 8.685 -0.378 25680 806 1 12 . 1 1 458 458 GLU HA H 458 4.174 4.174 4.495 -0.321 25680 807 1 12 . 1 1 458 458 GLU H H 458 8.001 8.001 7.705 0.296 25680 808 1 12 . 1 1 459 459 LYS HA H 459 2.523 2.523 3.648 -1.125 25680 809 1 12 . 1 1 459 459 LYS H H 459 8.203 8.203 8.307 -0.104 25680 810 1 12 . 1 1 460 460 PRO HA H 460 3.703 3.703 4.120 -0.417 25680 811 1 12 . 1 1 461 461 GLN HA H 461 3.575 3.575 3.882 -0.307 25680 812 1 12 . 1 1 461 461 GLN H H 461 8.340 8.340 8.654 -0.314 25680 813 1 12 . 1 1 462 462 GLU HA H 462 3.936 3.936 4.162 -0.226 25680 814 1 12 . 1 1 462 462 GLU H H 462 8.860 8.860 8.449 0.411 25680 815 1 12 . 1 1 463 463 LEU HA H 463 4.196 4.196 4.602 -0.406 25680 816 1 12 . 1 1 463 463 LEU H H 463 7.395 7.395 7.675 -0.280 25680 817 1 13 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.203 -0.044 25680 818 1 13 . 1 1 429 429 ALA H H 429 8.092 8.092 8.375 -0.283 25680 819 1 13 . 1 1 430 430 THR HA H 430 4.095 4.095 4.036 0.059 25680 820 1 13 . 1 1 430 430 THR H H 430 8.044 8.044 9.876 -1.832 25680 821 1 13 . 1 1 431 431 ALA HA H 431 4.155 4.155 4.522 -0.367 25680 822 1 13 . 1 1 431 431 ALA H H 431 8.167 8.167 7.634 0.533 25680 823 1 13 . 1 1 432 432 VAL HA H 432 3.900 3.900 4.387 -0.487 25680 824 1 13 . 1 1 432 432 VAL H H 432 8.032 8.032 8.165 -0.133 25680 825 1 13 . 1 1 433 433 SER HA H 433 4.289 4.289 4.676 -0.387 25680 826 1 13 . 1 1 433 433 SER H H 433 8.223 8.223 8.836 -0.613 25680 827 1 13 . 1 1 434 434 GLU HA H 434 3.965 3.965 4.204 -0.239 25680 828 1 13 . 1 1 434 434 GLU H H 434 8.644 8.644 8.213 0.431 25680 829 1 13 . 1 1 435 435 TRP HA H 435 5.139 5.139 5.321 -0.182 25680 830 1 13 . 1 1 435 435 TRP H H 435 8.051 8.051 7.954 0.097 25680 831 1 13 . 1 1 436 436 THR HA H 436 4.343 4.343 4.615 -0.272 25680 832 1 13 . 1 1 436 436 THR H H 436 9.331 9.331 9.017 0.314 25680 833 1 13 . 1 1 437 437 GLU HA H 437 4.187 4.187 4.249 -0.062 25680 834 1 13 . 1 1 437 437 GLU H H 437 8.371 8.371 8.583 -0.212 25680 835 1 13 . 1 1 438 438 TYR HA H 438 4.367 4.367 4.450 -0.083 25680 836 1 13 . 1 1 438 438 TYR H H 438 8.463 8.463 7.963 0.500 25680 837 1 13 . 1 1 439 439 LYS HA H 439 5.253 5.253 5.446 -0.193 25680 838 1 13 . 1 1 439 439 LYS H H 439 7.992 7.992 8.395 -0.403 25680 839 1 13 . 1 1 440 440 THR HA H 440 4.460 4.460 4.737 -0.277 25680 840 1 13 . 1 1 440 440 THR H H 440 9.072 9.072 8.662 0.410 25680 841 1 13 . 1 1 441 441 ALA HA H 441 3.950 3.950 4.035 -0.085 25680 842 1 13 . 1 1 441 441 ALA H H 441 9.025 9.025 8.855 0.170 25680 843 1 13 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.514 -0.055 25680 844 1 13 . 1 1 442 442 ASP H H 442 7.874 7.874 8.167 -0.293 25680 845 1 13 . 1 1 443 443 GLY H H 443 7.818 7.818 8.303 -0.485 25680 846 1 13 . 1 1 444 444 LYS HA H 444 4.350 4.350 4.720 -0.370 25680 847 1 13 . 1 1 444 444 LYS H H 444 7.716 7.716 7.854 -0.138 25680 848 1 13 . 1 1 445 445 THR HA H 445 4.781 4.781 4.778 0.003 25680 849 1 13 . 1 1 445 445 THR H H 445 8.526 8.526 8.926 -0.400 25680 850 1 13 . 1 1 446 446 TYR HA H 446 4.501 4.501 4.871 -0.370 25680 851 1 13 . 1 1 446 446 TYR H H 446 8.551 8.551 8.611 -0.060 25680 852 1 13 . 1 1 447 447 TYR HA H 447 4.970 4.970 5.147 -0.177 25680 853 1 13 . 1 1 447 447 TYR H H 447 8.668 8.668 9.235 -0.567 25680 854 1 13 . 1 1 448 448 TYR HA H 448 5.408 5.408 5.159 0.249 25680 855 1 13 . 1 1 448 448 TYR H H 448 9.188 9.188 9.603 -0.415 25680 856 1 13 . 1 1 449 449 ASN HA H 449 4.042 4.042 4.742 -0.700 25680 857 1 13 . 1 1 449 449 ASN H H 449 8.112 8.112 8.322 -0.210 25680 858 1 13 . 1 1 450 450 ASN HA H 450 3.968 3.968 4.271 -0.303 25680 859 1 13 . 1 1 450 450 ASN H H 450 8.382 8.382 7.998 0.384 25680 860 1 13 . 1 1 451 451 ARG HA H 451 3.975 3.975 4.237 -0.262 25680 861 1 13 . 1 1 451 451 ARG H H 451 8.316 8.316 8.229 0.087 25680 862 1 13 . 1 1 452 452 THR HA H 452 3.464 3.464 4.375 -0.911 25680 863 1 13 . 1 1 452 452 THR H H 452 7.579 7.579 7.495 0.084 25680 864 1 13 . 1 1 453 453 TRP HA H 453 4.065 4.065 3.764 0.301 25680 865 1 13 . 1 1 453 453 TRP H H 453 7.654 7.654 8.043 -0.389 25680 866 1 13 . 1 1 454 454 GLU HA H 454 4.170 4.170 4.517 -0.347 25680 867 1 13 . 1 1 454 454 GLU H H 454 7.109 7.109 7.224 -0.115 25680 868 1 13 . 1 1 455 455 SER HA H 455 5.831 5.831 5.710 0.121 25680 869 1 13 . 1 1 455 455 SER H H 455 8.288 8.288 8.737 -0.449 25680 870 1 13 . 1 1 456 456 THR HA H 456 4.624 4.624 4.696 -0.072 25680 871 1 13 . 1 1 456 456 THR H H 456 9.146 9.146 8.867 0.279 25680 872 1 13 . 1 1 457 457 TRP HA H 457 4.796 4.796 5.316 -0.520 25680 873 1 13 . 1 1 457 457 TRP H H 457 8.307 8.307 8.763 -0.456 25680 874 1 13 . 1 1 458 458 GLU HA H 458 4.174 4.174 4.587 -0.413 25680 875 1 13 . 1 1 458 458 GLU H H 458 8.001 8.001 7.701 0.300 25680 876 1 13 . 1 1 459 459 LYS HA H 459 2.523 2.523 3.866 -1.343 25680 877 1 13 . 1 1 459 459 LYS H H 459 8.203 8.203 8.428 -0.225 25680 878 1 13 . 1 1 460 460 PRO HA H 460 3.703 3.703 3.742 -0.039 25680 879 1 13 . 1 1 461 461 GLN HA H 461 3.575 3.575 4.144 -0.569 25680 880 1 13 . 1 1 461 461 GLN H H 461 8.340 8.340 8.598 -0.258 25680 881 1 13 . 1 1 462 462 GLU HA H 462 3.936 3.936 4.120 -0.184 25680 882 1 13 . 1 1 462 462 GLU H H 462 8.860 8.860 8.376 0.484 25680 883 1 13 . 1 1 463 463 LEU HA H 463 4.196 4.196 4.481 -0.285 25680 884 1 13 . 1 1 463 463 LEU H H 463 7.395 7.395 7.756 -0.361 25680 885 1 14 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.669 -0.510 25680 886 1 14 . 1 1 429 429 ALA H H 429 8.092 8.092 8.217 -0.125 25680 887 1 14 . 1 1 430 430 THR HA H 430 4.095 4.095 4.403 -0.308 25680 888 1 14 . 1 1 430 430 THR H H 430 8.044 8.044 8.795 -0.751 25680 889 1 14 . 1 1 431 431 ALA HA H 431 4.155 4.155 4.526 -0.371 25680 890 1 14 . 1 1 431 431 ALA H H 431 8.167 8.167 7.540 0.627 25680 891 1 14 . 1 1 432 432 VAL HA H 432 3.900 3.900 3.950 -0.050 25680 892 1 14 . 1 1 432 432 VAL H H 432 8.032 8.032 7.923 0.109 25680 893 1 14 . 1 1 433 433 SER HA H 433 4.289 4.289 4.340 -0.051 25680 894 1 14 . 1 1 433 433 SER H H 433 8.223 8.223 8.853 -0.630 25680 895 1 14 . 1 1 434 434 GLU HA H 434 3.965 3.965 4.210 -0.245 25680 896 1 14 . 1 1 434 434 GLU H H 434 8.644 8.644 8.667 -0.023 25680 897 1 14 . 1 1 435 435 TRP HA H 435 5.139 5.139 5.375 -0.236 25680 898 1 14 . 1 1 435 435 TRP H H 435 8.051 8.051 7.597 0.454 25680 899 1 14 . 1 1 436 436 THR HA H 436 4.343 4.343 4.780 -0.437 25680 900 1 14 . 1 1 436 436 THR H H 436 9.331 9.331 9.169 0.162 25680 901 1 14 . 1 1 437 437 GLU HA H 437 4.187 4.187 4.488 -0.301 25680 902 1 14 . 1 1 437 437 GLU H H 437 8.371 8.371 8.648 -0.277 25680 903 1 14 . 1 1 438 438 TYR HA H 438 4.367 4.367 4.503 -0.136 25680 904 1 14 . 1 1 438 438 TYR H H 438 8.463 8.463 8.055 0.408 25680 905 1 14 . 1 1 439 439 LYS HA H 439 5.253 5.253 5.133 0.120 25680 906 1 14 . 1 1 439 439 LYS H H 439 7.992 7.992 8.454 -0.462 25680 907 1 14 . 1 1 440 440 THR HA H 440 4.460 4.460 4.746 -0.286 25680 908 1 14 . 1 1 440 440 THR H H 440 9.072 9.072 8.458 0.614 25680 909 1 14 . 1 1 441 441 ALA HA H 441 3.950 3.950 4.073 -0.123 25680 910 1 14 . 1 1 441 441 ALA H H 441 9.025 9.025 8.860 0.165 25680 911 1 14 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.554 -0.095 25680 912 1 14 . 1 1 442 442 ASP H H 442 7.874 7.874 8.170 -0.296 25680 913 1 14 . 1 1 443 443 GLY H H 443 7.818 7.818 8.253 -0.435 25680 914 1 14 . 1 1 444 444 LYS HA H 444 4.350 4.350 4.762 -0.412 25680 915 1 14 . 1 1 444 444 LYS H H 444 7.716 7.716 8.143 -0.427 25680 916 1 14 . 1 1 445 445 THR HA H 445 4.781 4.781 4.835 -0.054 25680 917 1 14 . 1 1 445 445 THR H H 445 8.526 8.526 8.863 -0.337 25680 918 1 14 . 1 1 446 446 TYR HA H 446 4.501 4.501 4.614 -0.113 25680 919 1 14 . 1 1 446 446 TYR H H 446 8.551 8.551 8.482 0.069 25680 920 1 14 . 1 1 447 447 TYR HA H 447 4.970 4.970 5.047 -0.077 25680 921 1 14 . 1 1 447 447 TYR H H 447 8.668 8.668 9.055 -0.387 25680 922 1 14 . 1 1 448 448 TYR HA H 448 5.408 5.408 5.379 0.029 25680 923 1 14 . 1 1 448 448 TYR H H 448 9.188 9.188 9.792 -0.604 25680 924 1 14 . 1 1 449 449 ASN HA H 449 4.042 4.042 4.389 -0.347 25680 925 1 14 . 1 1 449 449 ASN H H 449 8.112 8.112 8.325 -0.213 25680 926 1 14 . 1 1 450 450 ASN HA H 450 3.968 3.968 4.328 -0.360 25680 927 1 14 . 1 1 450 450 ASN H H 450 8.382 8.382 8.773 -0.391 25680 928 1 14 . 1 1 451 451 ARG HA H 451 3.975 3.975 4.277 -0.302 25680 929 1 14 . 1 1 451 451 ARG H H 451 8.316 8.316 7.514 0.802 25680 930 1 14 . 1 1 452 452 THR HA H 452 3.464 3.464 4.379 -0.915 25680 931 1 14 . 1 1 452 452 THR H H 452 7.579 7.579 8.303 -0.724 25680 932 1 14 . 1 1 453 453 TRP HA H 453 4.065 4.065 3.775 0.290 25680 933 1 14 . 1 1 453 453 TRP H H 453 7.654 7.654 7.782 -0.128 25680 934 1 14 . 1 1 454 454 GLU HA H 454 4.170 4.170 4.492 -0.322 25680 935 1 14 . 1 1 454 454 GLU H H 454 7.109 7.109 7.306 -0.197 25680 936 1 14 . 1 1 455 455 SER HA H 455 5.831 5.831 5.686 0.145 25680 937 1 14 . 1 1 455 455 SER H H 455 8.288 8.288 8.683 -0.395 25680 938 1 14 . 1 1 456 456 THR HA H 456 4.624 4.624 4.646 -0.022 25680 939 1 14 . 1 1 456 456 THR H H 456 9.146 9.146 8.914 0.232 25680 940 1 14 . 1 1 457 457 TRP HA H 457 4.796 4.796 4.946 -0.150 25680 941 1 14 . 1 1 457 457 TRP H H 457 8.307 8.307 8.620 -0.313 25680 942 1 14 . 1 1 458 458 GLU HA H 458 4.174 4.174 4.486 -0.312 25680 943 1 14 . 1 1 458 458 GLU H H 458 8.001 8.001 7.762 0.239 25680 944 1 14 . 1 1 459 459 LYS HA H 459 2.523 2.523 4.243 -1.720 25680 945 1 14 . 1 1 459 459 LYS H H 459 8.203 8.203 8.405 -0.202 25680 946 1 14 . 1 1 460 460 PRO HA H 460 3.703 3.703 3.708 -0.005 25680 947 1 14 . 1 1 461 461 GLN HA H 461 3.575 3.575 3.866 -0.291 25680 948 1 14 . 1 1 461 461 GLN H H 461 8.340 8.340 8.539 -0.199 25680 949 1 14 . 1 1 462 462 GLU HA H 462 3.936 3.936 4.220 -0.284 25680 950 1 14 . 1 1 462 462 GLU H H 462 8.860 8.860 8.315 0.545 25680 951 1 14 . 1 1 463 463 LEU HA H 463 4.196 4.196 4.402 -0.206 25680 952 1 14 . 1 1 463 463 LEU H H 463 7.395 7.395 7.332 0.063 25680 953 1 15 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.080 0.079 25680 954 1 15 . 1 1 429 429 ALA H H 429 8.092 8.092 8.455 -0.363 25680 955 1 15 . 1 1 430 430 THR HA H 430 4.095 4.095 3.960 0.135 25680 956 1 15 . 1 1 430 430 THR H H 430 8.044 8.044 8.165 -0.121 25680 957 1 15 . 1 1 431 431 ALA HA H 431 4.155 4.155 4.452 -0.297 25680 958 1 15 . 1 1 431 431 ALA H H 431 8.167 8.167 7.531 0.636 25680 959 1 15 . 1 1 432 432 VAL HA H 432 3.900 3.900 4.340 -0.440 25680 960 1 15 . 1 1 432 432 VAL H H 432 8.032 8.032 8.341 -0.309 25680 961 1 15 . 1 1 433 433 SER HA H 433 4.289 4.289 4.234 0.055 25680 962 1 15 . 1 1 433 433 SER H H 433 8.223 8.223 9.604 -1.381 25680 963 1 15 . 1 1 434 434 GLU HA H 434 3.965 3.965 4.086 -0.121 25680 964 1 15 . 1 1 434 434 GLU H H 434 8.644 8.644 8.375 0.269 25680 965 1 15 . 1 1 435 435 TRP HA H 435 5.139 5.139 5.264 -0.125 25680 966 1 15 . 1 1 435 435 TRP H H 435 8.051 8.051 7.796 0.255 25680 967 1 15 . 1 1 436 436 THR HA H 436 4.343 4.343 4.580 -0.237 25680 968 1 15 . 1 1 436 436 THR H H 436 9.331 9.331 9.177 0.154 25680 969 1 15 . 1 1 437 437 GLU HA H 437 4.187 4.187 4.435 -0.248 25680 970 1 15 . 1 1 437 437 GLU H H 437 8.371 8.371 8.596 -0.225 25680 971 1 15 . 1 1 438 438 TYR HA H 438 4.367 4.367 4.542 -0.175 25680 972 1 15 . 1 1 438 438 TYR H H 438 8.463 8.463 7.916 0.547 25680 973 1 15 . 1 1 439 439 LYS HA H 439 5.253 5.253 5.306 -0.053 25680 974 1 15 . 1 1 439 439 LYS H H 439 7.992 7.992 8.449 -0.457 25680 975 1 15 . 1 1 440 440 THR HA H 440 4.460 4.460 4.700 -0.240 25680 976 1 15 . 1 1 440 440 THR H H 440 9.072 9.072 8.612 0.460 25680 977 1 15 . 1 1 441 441 ALA HA H 441 3.950 3.950 4.069 -0.119 25680 978 1 15 . 1 1 441 441 ALA H H 441 9.025 9.025 8.808 0.217 25680 979 1 15 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.606 -0.147 25680 980 1 15 . 1 1 442 442 ASP H H 442 7.874 7.874 8.294 -0.420 25680 981 1 15 . 1 1 443 443 GLY H H 443 7.818 7.818 8.454 -0.636 25680 982 1 15 . 1 1 444 444 LYS HA H 444 4.350 4.350 4.693 -0.343 25680 983 1 15 . 1 1 444 444 LYS H H 444 7.716 7.716 8.009 -0.293 25680 984 1 15 . 1 1 445 445 THR HA H 445 4.781 4.781 5.042 -0.261 25680 985 1 15 . 1 1 445 445 THR H H 445 8.526 8.526 8.897 -0.371 25680 986 1 15 . 1 1 446 446 TYR HA H 446 4.501 4.501 4.684 -0.183 25680 987 1 15 . 1 1 446 446 TYR H H 446 8.551 8.551 8.177 0.374 25680 988 1 15 . 1 1 447 447 TYR HA H 447 4.970 4.970 4.987 -0.017 25680 989 1 15 . 1 1 447 447 TYR H H 447 8.668 8.668 9.035 -0.367 25680 990 1 15 . 1 1 448 448 TYR HA H 448 5.408 5.408 5.465 -0.057 25680 991 1 15 . 1 1 448 448 TYR H H 448 9.188 9.188 9.644 -0.456 25680 992 1 15 . 1 1 449 449 ASN HA H 449 4.042 4.042 4.809 -0.767 25680 993 1 15 . 1 1 449 449 ASN H H 449 8.112 8.112 8.544 -0.432 25680 994 1 15 . 1 1 450 450 ASN HA H 450 3.968 3.968 4.594 -0.626 25680 995 1 15 . 1 1 450 450 ASN H H 450 8.382 8.382 8.105 0.277 25680 996 1 15 . 1 1 451 451 ARG HA H 451 3.975 3.975 4.186 -0.211 25680 997 1 15 . 1 1 451 451 ARG H H 451 8.316 8.316 7.924 0.392 25680 998 1 15 . 1 1 452 452 THR HA H 452 3.464 3.464 4.192 -0.728 25680 999 1 15 . 1 1 452 452 THR H H 452 7.579 7.579 8.197 -0.618 25680 1000 1 15 . 1 1 453 453 TRP HA H 453 4.065 4.065 3.813 0.252 25680 1001 1 15 . 1 1 453 453 TRP H H 453 7.654 7.654 7.593 0.061 25680 1002 1 15 . 1 1 454 454 GLU HA H 454 4.170 4.170 4.560 -0.390 25680 1003 1 15 . 1 1 454 454 GLU H H 454 7.109 7.109 7.338 -0.229 25680 1004 1 15 . 1 1 455 455 SER HA H 455 5.831 5.831 5.765 0.066 25680 1005 1 15 . 1 1 455 455 SER H H 455 8.288 8.288 8.825 -0.537 25680 1006 1 15 . 1 1 456 456 THR HA H 456 4.624 4.624 4.671 -0.047 25680 1007 1 15 . 1 1 456 456 THR H H 456 9.146 9.146 8.927 0.219 25680 1008 1 15 . 1 1 457 457 TRP HA H 457 4.796 4.796 4.990 -0.194 25680 1009 1 15 . 1 1 457 457 TRP H H 457 8.307 8.307 8.706 -0.399 25680 1010 1 15 . 1 1 458 458 GLU HA H 458 4.174 4.174 4.686 -0.512 25680 1011 1 15 . 1 1 458 458 GLU H H 458 8.001 8.001 7.583 0.418 25680 1012 1 15 . 1 1 459 459 LYS HA H 459 2.523 2.523 4.258 -1.735 25680 1013 1 15 . 1 1 459 459 LYS H H 459 8.203 8.203 8.508 -0.305 25680 1014 1 15 . 1 1 460 460 PRO HA H 460 3.703 3.703 3.936 -0.233 25680 1015 1 15 . 1 1 461 461 GLN HA H 461 3.575 3.575 3.869 -0.294 25680 1016 1 15 . 1 1 461 461 GLN H H 461 8.340 8.340 8.778 -0.438 25680 1017 1 15 . 1 1 462 462 GLU HA H 462 3.936 3.936 4.265 -0.329 25680 1018 1 15 . 1 1 462 462 GLU H H 462 8.860 8.860 8.346 0.514 25680 1019 1 15 . 1 1 463 463 LEU HA H 463 4.196 4.196 4.477 -0.281 25680 1020 1 15 . 1 1 463 463 LEU H H 463 7.395 7.395 7.530 -0.135 25680 1021 1 16 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.092 0.067 25680 1022 1 16 . 1 1 429 429 ALA H H 429 8.092 8.092 8.471 -0.379 25680 1023 1 16 . 1 1 430 430 THR HA H 430 4.095 4.095 4.015 0.080 25680 1024 1 16 . 1 1 430 430 THR H H 430 8.044 8.044 8.111 -0.067 25680 1025 1 16 . 1 1 431 431 ALA HA H 431 4.155 4.155 4.241 -0.086 25680 1026 1 16 . 1 1 431 431 ALA H H 431 8.167 8.167 8.725 -0.558 25680 1027 1 16 . 1 1 432 432 VAL HA H 432 3.900 3.900 4.372 -0.472 25680 1028 1 16 . 1 1 432 432 VAL H H 432 8.032 8.032 8.838 -0.806 25680 1029 1 16 . 1 1 433 433 SER HA H 433 4.289 4.289 4.175 0.114 25680 1030 1 16 . 1 1 433 433 SER H H 433 8.223 8.223 8.232 -0.009 25680 1031 1 16 . 1 1 434 434 GLU HA H 434 3.965 3.965 4.231 -0.266 25680 1032 1 16 . 1 1 434 434 GLU H H 434 8.644 8.644 8.488 0.156 25680 1033 1 16 . 1 1 435 435 TRP HA H 435 5.139 5.139 5.419 -0.280 25680 1034 1 16 . 1 1 435 435 TRP H H 435 8.051 8.051 7.891 0.161 25680 1035 1 16 . 1 1 436 436 THR HA H 436 4.343 4.343 4.618 -0.275 25680 1036 1 16 . 1 1 436 436 THR H H 436 9.331 9.331 9.026 0.305 25680 1037 1 16 . 1 1 437 437 GLU HA H 437 4.187 4.187 5.004 -0.817 25680 1038 1 16 . 1 1 437 437 GLU H H 437 8.371 8.371 8.483 -0.112 25680 1039 1 16 . 1 1 438 438 TYR HA H 438 4.367 4.367 4.562 -0.195 25680 1040 1 16 . 1 1 438 438 TYR H H 438 8.463 8.463 8.448 0.015 25680 1041 1 16 . 1 1 439 439 LYS HA H 439 5.253 5.253 5.033 0.220 25680 1042 1 16 . 1 1 439 439 LYS H H 439 7.992 7.992 8.546 -0.554 25680 1043 1 16 . 1 1 440 440 THR HA H 440 4.460 4.460 4.666 -0.206 25680 1044 1 16 . 1 1 440 440 THR H H 440 9.072 9.072 8.717 0.355 25680 1045 1 16 . 1 1 441 441 ALA HA H 441 3.950 3.950 4.002 -0.052 25680 1046 1 16 . 1 1 441 441 ALA H H 441 9.025 9.025 8.763 0.262 25680 1047 1 16 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.565 -0.106 25680 1048 1 16 . 1 1 442 442 ASP H H 442 7.874 7.874 8.016 -0.142 25680 1049 1 16 . 1 1 443 443 GLY H H 443 7.818 7.818 8.314 -0.496 25680 1050 1 16 . 1 1 444 444 LYS HA H 444 4.350 4.350 4.741 -0.391 25680 1051 1 16 . 1 1 444 444 LYS H H 444 7.716 7.716 8.078 -0.362 25680 1052 1 16 . 1 1 445 445 THR HA H 445 4.781 4.781 5.086 -0.305 25680 1053 1 16 . 1 1 445 445 THR H H 445 8.526 8.526 8.944 -0.418 25680 1054 1 16 . 1 1 446 446 TYR HA H 446 4.501 4.501 4.328 0.173 25680 1055 1 16 . 1 1 446 446 TYR H H 446 8.551 8.551 8.733 -0.182 25680 1056 1 16 . 1 1 447 447 TYR HA H 447 4.970 4.970 4.985 -0.015 25680 1057 1 16 . 1 1 447 447 TYR H H 447 8.668 8.668 8.717 -0.049 25680 1058 1 16 . 1 1 448 448 TYR HA H 448 5.408 5.408 5.372 0.036 25680 1059 1 16 . 1 1 448 448 TYR H H 448 9.188 9.188 9.571 -0.383 25680 1060 1 16 . 1 1 449 449 ASN HA H 449 4.042 4.042 4.662 -0.620 25680 1061 1 16 . 1 1 449 449 ASN H H 449 8.112 8.112 8.271 -0.159 25680 1062 1 16 . 1 1 450 450 ASN HA H 450 3.968 3.968 4.798 -0.830 25680 1063 1 16 . 1 1 450 450 ASN H H 450 8.382 8.382 8.625 -0.243 25680 1064 1 16 . 1 1 451 451 ARG HA H 451 3.975 3.975 3.995 -0.020 25680 1065 1 16 . 1 1 451 451 ARG H H 451 8.316 8.316 7.743 0.573 25680 1066 1 16 . 1 1 452 452 THR HA H 452 3.464 3.464 3.828 -0.364 25680 1067 1 16 . 1 1 452 452 THR H H 452 7.579 7.579 8.230 -0.651 25680 1068 1 16 . 1 1 453 453 TRP HA H 453 4.065 4.065 4.037 0.028 25680 1069 1 16 . 1 1 453 453 TRP H H 453 7.654 7.654 7.430 0.224 25680 1070 1 16 . 1 1 454 454 GLU HA H 454 4.170 4.170 4.431 -0.261 25680 1071 1 16 . 1 1 454 454 GLU H H 454 7.109 7.109 7.074 0.035 25680 1072 1 16 . 1 1 455 455 SER HA H 455 5.831 5.831 5.578 0.253 25680 1073 1 16 . 1 1 455 455 SER H H 455 8.288 8.288 8.564 -0.276 25680 1074 1 16 . 1 1 456 456 THR HA H 456 4.624 4.624 4.777 -0.153 25680 1075 1 16 . 1 1 456 456 THR H H 456 9.146 9.146 9.139 0.007 25680 1076 1 16 . 1 1 457 457 TRP HA H 457 4.796 4.796 4.824 -0.028 25680 1077 1 16 . 1 1 457 457 TRP H H 457 8.307 8.307 8.683 -0.376 25680 1078 1 16 . 1 1 458 458 GLU HA H 458 4.174 4.174 4.534 -0.360 25680 1079 1 16 . 1 1 458 458 GLU H H 458 8.001 8.001 8.014 -0.013 25680 1080 1 16 . 1 1 459 459 LYS HA H 459 2.523 2.523 4.287 -1.764 25680 1081 1 16 . 1 1 459 459 LYS H H 459 8.203 8.203 8.369 -0.166 25680 1082 1 16 . 1 1 460 460 PRO HA H 460 3.703 3.703 4.209 -0.506 25680 1083 1 16 . 1 1 461 461 GLN HA H 461 3.575 3.575 3.919 -0.344 25680 1084 1 16 . 1 1 461 461 GLN H H 461 8.340 8.340 8.683 -0.343 25680 1085 1 16 . 1 1 462 462 GLU HA H 462 3.936 3.936 4.126 -0.190 25680 1086 1 16 . 1 1 462 462 GLU H H 462 8.860 8.860 8.827 0.033 25680 1087 1 16 . 1 1 463 463 LEU HA H 463 4.196 4.196 4.444 -0.248 25680 1088 1 16 . 1 1 463 463 LEU H H 463 7.395 7.395 7.783 -0.388 25680 1089 1 17 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.168 -0.009 25680 1090 1 17 . 1 1 429 429 ALA H H 429 8.092 8.092 8.187 -0.095 25680 1091 1 17 . 1 1 430 430 THR HA H 430 4.095 4.095 4.218 -0.123 25680 1092 1 17 . 1 1 430 430 THR H H 430 8.044 8.044 8.540 -0.496 25680 1093 1 17 . 1 1 431 431 ALA HA H 431 4.155 4.155 3.986 0.169 25680 1094 1 17 . 1 1 431 431 ALA H H 431 8.167 8.167 8.135 0.032 25680 1095 1 17 . 1 1 432 432 VAL HA H 432 3.900 3.900 3.732 0.168 25680 1096 1 17 . 1 1 432 432 VAL H H 432 8.032 8.032 8.145 -0.113 25680 1097 1 17 . 1 1 433 433 SER HA H 433 4.289 4.289 4.301 -0.012 25680 1098 1 17 . 1 1 433 433 SER H H 433 8.223 8.223 8.691 -0.468 25680 1099 1 17 . 1 1 434 434 GLU HA H 434 3.965 3.965 4.154 -0.189 25680 1100 1 17 . 1 1 434 434 GLU H H 434 8.644 8.644 8.521 0.123 25680 1101 1 17 . 1 1 435 435 TRP HA H 435 5.139 5.139 5.358 -0.219 25680 1102 1 17 . 1 1 435 435 TRP H H 435 8.051 8.051 7.725 0.326 25680 1103 1 17 . 1 1 436 436 THR HA H 436 4.343 4.343 4.658 -0.315 25680 1104 1 17 . 1 1 436 436 THR H H 436 9.331 9.331 8.883 0.448 25680 1105 1 17 . 1 1 437 437 GLU HA H 437 4.187 4.187 4.976 -0.789 25680 1106 1 17 . 1 1 437 437 GLU H H 437 8.371 8.371 8.360 0.011 25680 1107 1 17 . 1 1 438 438 TYR HA H 438 4.367 4.367 4.604 -0.237 25680 1108 1 17 . 1 1 438 438 TYR H H 438 8.463 8.463 7.942 0.521 25680 1109 1 17 . 1 1 439 439 LYS HA H 439 5.253 5.253 4.911 0.342 25680 1110 1 17 . 1 1 439 439 LYS H H 439 7.992 7.992 8.557 -0.565 25680 1111 1 17 . 1 1 440 440 THR HA H 440 4.460 4.460 4.684 -0.224 25680 1112 1 17 . 1 1 440 440 THR H H 440 9.072 9.072 8.804 0.268 25680 1113 1 17 . 1 1 441 441 ALA HA H 441 3.950 3.950 3.994 -0.044 25680 1114 1 17 . 1 1 441 441 ALA H H 441 9.025 9.025 8.764 0.261 25680 1115 1 17 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.581 -0.122 25680 1116 1 17 . 1 1 442 442 ASP H H 442 7.874 7.874 7.916 -0.042 25680 1117 1 17 . 1 1 443 443 GLY H H 443 7.818 7.818 8.424 -0.606 25680 1118 1 17 . 1 1 444 444 LYS HA H 444 4.350 4.350 4.779 -0.429 25680 1119 1 17 . 1 1 444 444 LYS H H 444 7.716 7.716 7.732 -0.016 25680 1120 1 17 . 1 1 445 445 THR HA H 445 4.781 4.781 4.758 0.023 25680 1121 1 17 . 1 1 445 445 THR H H 445 8.526 8.526 8.711 -0.185 25680 1122 1 17 . 1 1 446 446 TYR HA H 446 4.501 4.501 4.408 0.093 25680 1123 1 17 . 1 1 446 446 TYR H H 446 8.551 8.551 8.203 0.348 25680 1124 1 17 . 1 1 447 447 TYR HA H 447 4.970 4.970 4.961 0.009 25680 1125 1 17 . 1 1 447 447 TYR H H 447 8.668 8.668 9.029 -0.361 25680 1126 1 17 . 1 1 448 448 TYR HA H 448 5.408 5.408 5.656 -0.248 25680 1127 1 17 . 1 1 448 448 TYR H H 448 9.188 9.188 9.515 -0.327 25680 1128 1 17 . 1 1 449 449 ASN HA H 449 4.042 4.042 4.340 -0.298 25680 1129 1 17 . 1 1 449 449 ASN H H 449 8.112 8.112 8.273 -0.161 25680 1130 1 17 . 1 1 450 450 ASN HA H 450 3.968 3.968 4.178 -0.210 25680 1131 1 17 . 1 1 450 450 ASN H H 450 8.382 8.382 8.056 0.326 25680 1132 1 17 . 1 1 451 451 ARG HA H 451 3.975 3.975 3.924 0.051 25680 1133 1 17 . 1 1 451 451 ARG H H 451 8.316 8.316 7.813 0.503 25680 1134 1 17 . 1 1 452 452 THR HA H 452 3.464 3.464 3.961 -0.497 25680 1135 1 17 . 1 1 452 452 THR H H 452 7.579 7.579 7.077 0.502 25680 1136 1 17 . 1 1 453 453 TRP HA H 453 4.065 4.065 4.043 0.022 25680 1137 1 17 . 1 1 453 453 TRP H H 453 7.654 7.654 7.600 0.054 25680 1138 1 17 . 1 1 454 454 GLU HA H 454 4.170 4.170 4.545 -0.376 25680 1139 1 17 . 1 1 454 454 GLU H H 454 7.109 7.109 7.248 -0.139 25680 1140 1 17 . 1 1 455 455 SER HA H 455 5.831 5.831 5.551 0.280 25680 1141 1 17 . 1 1 455 455 SER H H 455 8.288 8.288 8.882 -0.594 25680 1142 1 17 . 1 1 456 456 THR HA H 456 4.624 4.624 4.745 -0.121 25680 1143 1 17 . 1 1 456 456 THR H H 456 9.146 9.146 8.880 0.266 25680 1144 1 17 . 1 1 457 457 TRP HA H 457 4.796 4.796 4.898 -0.102 25680 1145 1 17 . 1 1 457 457 TRP H H 457 8.307 8.307 8.784 -0.477 25680 1146 1 17 . 1 1 458 458 GLU HA H 458 4.174 4.174 4.497 -0.323 25680 1147 1 17 . 1 1 458 458 GLU H H 458 8.001 8.001 7.736 0.265 25680 1148 1 17 . 1 1 459 459 LYS HA H 459 2.523 2.523 4.535 -2.012 25680 1149 1 17 . 1 1 459 459 LYS H H 459 8.203 8.203 8.468 -0.265 25680 1150 1 17 . 1 1 460 460 PRO HA H 460 3.703 3.703 4.095 -0.392 25680 1151 1 17 . 1 1 461 461 GLN HA H 461 3.575 3.575 3.886 -0.311 25680 1152 1 17 . 1 1 461 461 GLN H H 461 8.340 8.340 8.670 -0.330 25680 1153 1 17 . 1 1 462 462 GLU HA H 462 3.936 3.936 4.119 -0.183 25680 1154 1 17 . 1 1 462 462 GLU H H 462 8.860 8.860 8.405 0.455 25680 1155 1 17 . 1 1 463 463 LEU HA H 463 4.196 4.196 4.486 -0.290 25680 1156 1 17 . 1 1 463 463 LEU H H 463 7.395 7.395 7.427 -0.032 25680 1157 1 18 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.613 -0.454 25680 1158 1 18 . 1 1 429 429 ALA H H 429 8.092 8.092 8.441 -0.349 25680 1159 1 18 . 1 1 430 430 THR HA H 430 4.095 4.095 4.305 -0.210 25680 1160 1 18 . 1 1 430 430 THR H H 430 8.044 8.044 8.362 -0.318 25680 1161 1 18 . 1 1 431 431 ALA HA H 431 4.155 4.155 4.504 -0.349 25680 1162 1 18 . 1 1 431 431 ALA H H 431 8.167 8.167 7.673 0.494 25680 1163 1 18 . 1 1 432 432 VAL HA H 432 3.900 3.900 4.649 -0.749 25680 1164 1 18 . 1 1 432 432 VAL H H 432 8.032 8.032 8.160 -0.128 25680 1165 1 18 . 1 1 433 433 SER HA H 433 4.289 4.289 4.251 0.038 25680 1166 1 18 . 1 1 433 433 SER H H 433 8.223 8.223 9.301 -1.078 25680 1167 1 18 . 1 1 434 434 GLU HA H 434 3.965 3.965 4.419 -0.454 25680 1168 1 18 . 1 1 434 434 GLU H H 434 8.644 8.644 8.216 0.428 25680 1169 1 18 . 1 1 435 435 TRP HA H 435 5.139 5.139 5.566 -0.427 25680 1170 1 18 . 1 1 435 435 TRP H H 435 8.051 8.051 7.609 0.442 25680 1171 1 18 . 1 1 436 436 THR HA H 436 4.343 4.343 4.633 -0.290 25680 1172 1 18 . 1 1 436 436 THR H H 436 9.331 9.331 9.202 0.129 25680 1173 1 18 . 1 1 437 437 GLU HA H 437 4.187 4.187 4.869 -0.682 25680 1174 1 18 . 1 1 437 437 GLU H H 437 8.371 8.371 8.503 -0.132 25680 1175 1 18 . 1 1 438 438 TYR HA H 438 4.367 4.367 4.516 -0.149 25680 1176 1 18 . 1 1 438 438 TYR H H 438 8.463 8.463 8.189 0.274 25680 1177 1 18 . 1 1 439 439 LYS HA H 439 5.253 5.253 5.168 0.085 25680 1178 1 18 . 1 1 439 439 LYS H H 439 7.992 7.992 8.520 -0.528 25680 1179 1 18 . 1 1 440 440 THR HA H 440 4.460 4.460 4.593 -0.133 25680 1180 1 18 . 1 1 440 440 THR H H 440 9.072 9.072 8.394 0.678 25680 1181 1 18 . 1 1 441 441 ALA HA H 441 3.950 3.950 4.073 -0.123 25680 1182 1 18 . 1 1 441 441 ALA H H 441 9.025 9.025 8.700 0.325 25680 1183 1 18 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.557 -0.098 25680 1184 1 18 . 1 1 442 442 ASP H H 442 7.874 7.874 8.060 -0.186 25680 1185 1 18 . 1 1 443 443 GLY H H 443 7.818 7.818 8.236 -0.418 25680 1186 1 18 . 1 1 444 444 LYS HA H 444 4.350 4.350 4.688 -0.338 25680 1187 1 18 . 1 1 444 444 LYS H H 444 7.716 7.716 8.319 -0.603 25680 1188 1 18 . 1 1 445 445 THR HA H 445 4.781 4.781 5.221 -0.440 25680 1189 1 18 . 1 1 445 445 THR H H 445 8.526 8.526 8.888 -0.362 25680 1190 1 18 . 1 1 446 446 TYR HA H 446 4.501 4.501 4.595 -0.094 25680 1191 1 18 . 1 1 446 446 TYR H H 446 8.551 8.551 8.372 0.179 25680 1192 1 18 . 1 1 447 447 TYR HA H 447 4.970 4.970 4.998 -0.028 25680 1193 1 18 . 1 1 447 447 TYR H H 447 8.668 8.668 9.083 -0.415 25680 1194 1 18 . 1 1 448 448 TYR HA H 448 5.408 5.408 5.154 0.254 25680 1195 1 18 . 1 1 448 448 TYR H H 448 9.188 9.188 9.547 -0.359 25680 1196 1 18 . 1 1 449 449 ASN HA H 449 4.042 4.042 4.285 -0.243 25680 1197 1 18 . 1 1 449 449 ASN H H 449 8.112 8.112 8.312 -0.200 25680 1198 1 18 . 1 1 450 450 ASN HA H 450 3.968 3.968 4.338 -0.370 25680 1199 1 18 . 1 1 450 450 ASN H H 450 8.382 8.382 8.489 -0.107 25680 1200 1 18 . 1 1 451 451 ARG HA H 451 3.975 3.975 4.210 -0.235 25680 1201 1 18 . 1 1 451 451 ARG H H 451 8.316 8.316 7.632 0.684 25680 1202 1 18 . 1 1 452 452 THR HA H 452 3.464 3.464 4.335 -0.871 25680 1203 1 18 . 1 1 452 452 THR H H 452 7.579 7.579 8.112 -0.533 25680 1204 1 18 . 1 1 453 453 TRP HA H 453 4.065 4.065 3.751 0.314 25680 1205 1 18 . 1 1 453 453 TRP H H 453 7.654 7.654 7.854 -0.200 25680 1206 1 18 . 1 1 454 454 GLU HA H 454 4.170 4.170 4.535 -0.365 25680 1207 1 18 . 1 1 454 454 GLU H H 454 7.109 7.109 7.340 -0.231 25680 1208 1 18 . 1 1 455 455 SER HA H 455 5.831 5.831 5.873 -0.042 25680 1209 1 18 . 1 1 455 455 SER H H 455 8.288 8.288 8.693 -0.405 25680 1210 1 18 . 1 1 456 456 THR HA H 456 4.624 4.624 4.737 -0.113 25680 1211 1 18 . 1 1 456 456 THR H H 456 9.146 9.146 8.940 0.206 25680 1212 1 18 . 1 1 457 457 TRP HA H 457 4.796 4.796 4.994 -0.198 25680 1213 1 18 . 1 1 457 457 TRP H H 457 8.307 8.307 8.691 -0.384 25680 1214 1 18 . 1 1 458 458 GLU HA H 458 4.174 4.174 4.640 -0.466 25680 1215 1 18 . 1 1 458 458 GLU H H 458 8.001 8.001 7.687 0.314 25680 1216 1 18 . 1 1 459 459 LYS HA H 459 2.523 2.523 3.963 -1.440 25680 1217 1 18 . 1 1 459 459 LYS H H 459 8.203 8.203 8.462 -0.259 25680 1218 1 18 . 1 1 460 460 PRO HA H 460 3.703 3.703 4.037 -0.334 25680 1219 1 18 . 1 1 461 461 GLN HA H 461 3.575 3.575 3.922 -0.347 25680 1220 1 18 . 1 1 461 461 GLN H H 461 8.340 8.340 8.553 -0.213 25680 1221 1 18 . 1 1 462 462 GLU HA H 462 3.936 3.936 4.093 -0.157 25680 1222 1 18 . 1 1 462 462 GLU H H 462 8.860 8.860 8.243 0.617 25680 1223 1 18 . 1 1 463 463 LEU HA H 463 4.196 4.196 4.424 -0.228 25680 1224 1 18 . 1 1 463 463 LEU H H 463 7.395 7.395 7.696 -0.301 25680 1225 1 19 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.642 -0.483 25680 1226 1 19 . 1 1 429 429 ALA H H 429 8.092 8.092 8.306 -0.214 25680 1227 1 19 . 1 1 430 430 THR HA H 430 4.095 4.095 4.484 -0.389 25680 1228 1 19 . 1 1 430 430 THR H H 430 8.044 8.044 7.770 0.274 25680 1229 1 19 . 1 1 431 431 ALA HA H 431 4.155 4.155 4.126 0.029 25680 1230 1 19 . 1 1 431 431 ALA H H 431 8.167 8.167 9.025 -0.858 25680 1231 1 19 . 1 1 432 432 VAL HA H 432 3.900 3.900 4.038 -0.138 25680 1232 1 19 . 1 1 432 432 VAL H H 432 8.032 8.032 8.488 -0.456 25680 1233 1 19 . 1 1 433 433 SER HA H 433 4.289 4.289 4.141 0.148 25680 1234 1 19 . 1 1 433 433 SER H H 433 8.223 8.223 8.463 -0.240 25680 1235 1 19 . 1 1 434 434 GLU HA H 434 3.965 3.965 4.363 -0.398 25680 1236 1 19 . 1 1 434 434 GLU H H 434 8.644 8.644 8.181 0.463 25680 1237 1 19 . 1 1 435 435 TRP HA H 435 5.139 5.139 5.303 -0.164 25680 1238 1 19 . 1 1 435 435 TRP H H 435 8.051 8.051 7.815 0.236 25680 1239 1 19 . 1 1 436 436 THR HA H 436 4.343 4.343 4.655 -0.312 25680 1240 1 19 . 1 1 436 436 THR H H 436 9.331 9.331 9.008 0.323 25680 1241 1 19 . 1 1 437 437 GLU HA H 437 4.187 4.187 4.456 -0.269 25680 1242 1 19 . 1 1 437 437 GLU H H 437 8.371 8.371 8.551 -0.180 25680 1243 1 19 . 1 1 438 438 TYR HA H 438 4.367 4.367 4.518 -0.151 25680 1244 1 19 . 1 1 438 438 TYR H H 438 8.463 8.463 8.004 0.459 25680 1245 1 19 . 1 1 439 439 LYS HA H 439 5.253 5.253 5.093 0.160 25680 1246 1 19 . 1 1 439 439 LYS H H 439 7.992 7.992 8.417 -0.425 25680 1247 1 19 . 1 1 440 440 THR HA H 440 4.460 4.460 4.703 -0.243 25680 1248 1 19 . 1 1 440 440 THR H H 440 9.072 9.072 8.584 0.488 25680 1249 1 19 . 1 1 441 441 ALA HA H 441 3.950 3.950 4.041 -0.091 25680 1250 1 19 . 1 1 441 441 ALA H H 441 9.025 9.025 8.692 0.333 25680 1251 1 19 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.547 -0.088 25680 1252 1 19 . 1 1 442 442 ASP H H 442 7.874 7.874 8.038 -0.164 25680 1253 1 19 . 1 1 443 443 GLY H H 443 7.818 7.818 8.377 -0.559 25680 1254 1 19 . 1 1 444 444 LYS HA H 444 4.350 4.350 4.659 -0.309 25680 1255 1 19 . 1 1 444 444 LYS H H 444 7.716 7.716 8.106 -0.390 25680 1256 1 19 . 1 1 445 445 THR HA H 445 4.781 4.781 5.127 -0.346 25680 1257 1 19 . 1 1 445 445 THR H H 445 8.526 8.526 8.789 -0.263 25680 1258 1 19 . 1 1 446 446 TYR HA H 446 4.501 4.501 4.574 -0.073 25680 1259 1 19 . 1 1 446 446 TYR H H 446 8.551 8.551 8.281 0.270 25680 1260 1 19 . 1 1 447 447 TYR HA H 447 4.970 4.970 5.433 -0.463 25680 1261 1 19 . 1 1 447 447 TYR H H 447 8.668 8.668 9.178 -0.510 25680 1262 1 19 . 1 1 448 448 TYR HA H 448 5.408 5.408 5.413 -0.005 25680 1263 1 19 . 1 1 448 448 TYR H H 448 9.188 9.188 9.643 -0.455 25680 1264 1 19 . 1 1 449 449 ASN HA H 449 4.042 4.042 4.697 -0.655 25680 1265 1 19 . 1 1 449 449 ASN H H 449 8.112 8.112 8.148 -0.036 25680 1266 1 19 . 1 1 450 450 ASN HA H 450 3.968 3.968 4.203 -0.235 25680 1267 1 19 . 1 1 450 450 ASN H H 450 8.382 8.382 8.068 0.314 25680 1268 1 19 . 1 1 451 451 ARG HA H 451 3.975 3.975 4.276 -0.301 25680 1269 1 19 . 1 1 451 451 ARG H H 451 8.316 8.316 7.491 0.825 25680 1270 1 19 . 1 1 452 452 THR HA H 452 3.464 3.464 4.410 -0.946 25680 1271 1 19 . 1 1 452 452 THR H H 452 7.579 7.579 8.570 -0.991 25680 1272 1 19 . 1 1 453 453 TRP HA H 453 4.065 4.065 3.759 0.306 25680 1273 1 19 . 1 1 453 453 TRP H H 453 7.654 7.654 7.767 -0.113 25680 1274 1 19 . 1 1 454 454 GLU HA H 454 4.170 4.170 4.493 -0.323 25680 1275 1 19 . 1 1 454 454 GLU H H 454 7.109 7.109 7.275 -0.166 25680 1276 1 19 . 1 1 455 455 SER HA H 455 5.831 5.831 5.819 0.012 25680 1277 1 19 . 1 1 455 455 SER H H 455 8.288 8.288 8.779 -0.491 25680 1278 1 19 . 1 1 456 456 THR HA H 456 4.624 4.624 4.728 -0.104 25680 1279 1 19 . 1 1 456 456 THR H H 456 9.146 9.146 8.951 0.195 25680 1280 1 19 . 1 1 457 457 TRP HA H 457 4.796 4.796 4.863 -0.067 25680 1281 1 19 . 1 1 457 457 TRP H H 457 8.307 8.307 8.708 -0.401 25680 1282 1 19 . 1 1 458 458 GLU HA H 458 4.174 4.174 4.472 -0.298 25680 1283 1 19 . 1 1 458 458 GLU H H 458 8.001 8.001 7.589 0.412 25680 1284 1 19 . 1 1 459 459 LYS HA H 459 2.523 2.523 4.281 -1.758 25680 1285 1 19 . 1 1 459 459 LYS H H 459 8.203 8.203 8.544 -0.341 25680 1286 1 19 . 1 1 460 460 PRO HA H 460 3.703 3.703 4.073 -0.370 25680 1287 1 19 . 1 1 461 461 GLN HA H 461 3.575 3.575 3.905 -0.330 25680 1288 1 19 . 1 1 461 461 GLN H H 461 8.340 8.340 8.645 -0.305 25680 1289 1 19 . 1 1 462 462 GLU HA H 462 3.936 3.936 4.121 -0.185 25680 1290 1 19 . 1 1 462 462 GLU H H 462 8.860 8.860 8.486 0.374 25680 1291 1 19 . 1 1 463 463 LEU HA H 463 4.196 4.196 4.552 -0.356 25680 1292 1 19 . 1 1 463 463 LEU H H 463 7.395 7.395 7.478 -0.083 25680 1293 1 20 . 1 1 429 429 ALA HA H 429 4.159 4.159 5.096 -0.937 25680 1294 1 20 . 1 1 429 429 ALA H H 429 8.092 8.092 8.128 -0.036 25680 1295 1 20 . 1 1 430 430 THR HA H 430 4.095 4.095 4.267 -0.172 25680 1296 1 20 . 1 1 430 430 THR H H 430 8.044 8.044 9.012 -0.968 25680 1297 1 20 . 1 1 431 431 ALA HA H 431 4.155 4.155 4.030 0.125 25680 1298 1 20 . 1 1 431 431 ALA H H 431 8.167 8.167 7.882 0.285 25680 1299 1 20 . 1 1 432 432 VAL HA H 432 3.900 3.900 3.754 0.146 25680 1300 1 20 . 1 1 432 432 VAL H H 432 8.032 8.032 8.095 -0.063 25680 1301 1 20 . 1 1 433 433 SER HA H 433 4.289 4.289 4.216 0.073 25680 1302 1 20 . 1 1 433 433 SER H H 433 8.223 8.223 8.736 -0.513 25680 1303 1 20 . 1 1 434 434 GLU HA H 434 3.965 3.965 4.082 -0.117 25680 1304 1 20 . 1 1 434 434 GLU H H 434 8.644 8.644 8.387 0.257 25680 1305 1 20 . 1 1 435 435 TRP HA H 435 5.139 5.139 5.610 -0.471 25680 1306 1 20 . 1 1 435 435 TRP H H 435 8.051 8.051 7.653 0.398 25680 1307 1 20 . 1 1 436 436 THR HA H 436 4.343 4.343 4.599 -0.256 25680 1308 1 20 . 1 1 436 436 THR H H 436 9.331 9.331 9.144 0.187 25680 1309 1 20 . 1 1 437 437 GLU HA H 437 4.187 4.187 4.588 -0.401 25680 1310 1 20 . 1 1 437 437 GLU H H 437 8.371 8.371 8.494 -0.123 25680 1311 1 20 . 1 1 438 438 TYR HA H 438 4.367 4.367 4.596 -0.229 25680 1312 1 20 . 1 1 438 438 TYR H H 438 8.463 8.463 8.034 0.429 25680 1313 1 20 . 1 1 439 439 LYS HA H 439 5.253 5.253 4.818 0.435 25680 1314 1 20 . 1 1 439 439 LYS H H 439 7.992 7.992 8.518 -0.526 25680 1315 1 20 . 1 1 440 440 THR HA H 440 4.460 4.460 4.734 -0.274 25680 1316 1 20 . 1 1 440 440 THR H H 440 9.072 9.072 8.472 0.600 25680 1317 1 20 . 1 1 441 441 ALA HA H 441 3.950 3.950 4.030 -0.080 25680 1318 1 20 . 1 1 441 441 ALA H H 441 9.025 9.025 8.773 0.252 25680 1319 1 20 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.591 -0.132 25680 1320 1 20 . 1 1 442 442 ASP H H 442 7.874 7.874 7.990 -0.116 25680 1321 1 20 . 1 1 443 443 GLY H H 443 7.818 7.818 8.245 -0.427 25680 1322 1 20 . 1 1 444 444 LYS HA H 444 4.350 4.350 4.813 -0.463 25680 1323 1 20 . 1 1 444 444 LYS H H 444 7.716 7.716 8.311 -0.595 25680 1324 1 20 . 1 1 445 445 THR HA H 445 4.781 4.781 5.028 -0.247 25680 1325 1 20 . 1 1 445 445 THR H H 445 8.526 8.526 8.817 -0.291 25680 1326 1 20 . 1 1 446 446 TYR HA H 446 4.501 4.501 4.165 0.336 25680 1327 1 20 . 1 1 446 446 TYR H H 446 8.551 8.551 8.347 0.204 25680 1328 1 20 . 1 1 447 447 TYR HA H 447 4.970 4.970 5.117 -0.147 25680 1329 1 20 . 1 1 447 447 TYR H H 447 8.668 8.668 8.381 0.287 25680 1330 1 20 . 1 1 448 448 TYR HA H 448 5.408 5.408 5.601 -0.193 25680 1331 1 20 . 1 1 448 448 TYR H H 448 9.188 9.188 9.563 -0.375 25680 1332 1 20 . 1 1 449 449 ASN HA H 449 4.042 4.042 4.571 -0.529 25680 1333 1 20 . 1 1 449 449 ASN H H 449 8.112 8.112 8.538 -0.426 25680 1334 1 20 . 1 1 450 450 ASN HA H 450 3.968 3.968 4.736 -0.768 25680 1335 1 20 . 1 1 450 450 ASN H H 450 8.382 8.382 8.553 -0.171 25680 1336 1 20 . 1 1 451 451 ARG HA H 451 3.975 3.975 3.897 0.078 25680 1337 1 20 . 1 1 451 451 ARG H H 451 8.316 8.316 7.813 0.503 25680 1338 1 20 . 1 1 452 452 THR HA H 452 3.464 3.464 3.819 -0.355 25680 1339 1 20 . 1 1 452 452 THR H H 452 7.579 7.579 7.564 0.015 25680 1340 1 20 . 1 1 453 453 TRP HA H 453 4.065 4.065 4.018 0.047 25680 1341 1 20 . 1 1 453 453 TRP H H 453 7.654 7.654 7.410 0.244 25680 1342 1 20 . 1 1 454 454 GLU HA H 454 4.170 4.170 4.356 -0.186 25680 1343 1 20 . 1 1 454 454 GLU H H 454 7.109 7.109 7.133 -0.024 25680 1344 1 20 . 1 1 455 455 SER HA H 455 5.831 5.831 5.357 0.474 25680 1345 1 20 . 1 1 455 455 SER H H 455 8.288 8.288 8.519 -0.231 25680 1346 1 20 . 1 1 456 456 THR HA H 456 4.624 4.624 4.622 0.002 25680 1347 1 20 . 1 1 456 456 THR H H 456 9.146 9.146 8.940 0.206 25680 1348 1 20 . 1 1 457 457 TRP HA H 457 4.796 4.796 4.866 -0.070 25680 1349 1 20 . 1 1 457 457 TRP H H 457 8.307 8.307 8.690 -0.383 25680 1350 1 20 . 1 1 458 458 GLU HA H 458 4.174 4.174 4.357 -0.183 25680 1351 1 20 . 1 1 458 458 GLU H H 458 8.001 8.001 7.622 0.379 25680 1352 1 20 . 1 1 459 459 LYS HA H 459 2.523 2.523 4.022 -1.499 25680 1353 1 20 . 1 1 459 459 LYS H H 459 8.203 8.203 8.388 -0.185 25680 1354 1 20 . 1 1 460 460 PRO HA H 460 3.703 3.703 4.044 -0.341 25680 1355 1 20 . 1 1 461 461 GLN HA H 461 3.575 3.575 3.885 -0.310 25680 1356 1 20 . 1 1 461 461 GLN H H 461 8.340 8.340 8.630 -0.290 25680 1357 1 20 . 1 1 462 462 GLU HA H 462 3.936 3.936 4.233 -0.297 25680 1358 1 20 . 1 1 462 462 GLU H H 462 8.860 8.860 8.594 0.266 25680 1359 1 20 . 1 1 463 463 LEU HA H 463 4.196 4.196 4.579 -0.383 25680 1360 1 20 . 1 1 463 463 LEU H H 463 7.395 7.395 7.635 -0.240 25680 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 25680 2 1 1 "Average Difference" HA 36 0.435 0.239 0.368 25680 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25680 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25680 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25680 6 1 1 "Average Difference" HN 34 0.374 0.064 0.374 25680 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25680 8 1 2 "Average Difference" HA 36 0.429 0.277 0.332 25680 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25680 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25680 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25680 12 1 2 "Average Difference" HN 34 0.398 0.094 0.393 25680 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25680 14 1 3 "Average Difference" HA 36 0.456 0.258 0.382 25680 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25680 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25680 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25680 18 1 3 "Average Difference" HN 34 0.402 0.126 0.387 25680 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25680 20 1 4 "Average Difference" HA 36 0.409 0.238 0.337 25680 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25680 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25680 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25680 24 1 4 "Average Difference" HN 34 0.327 0.117 0.310 25680 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25680 26 1 5 "Average Difference" HA 36 0.391 0.239 0.313 25680 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25680 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25680 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25680 30 1 5 "Average Difference" HN 34 0.403 0.105 0.395 25680 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25680 32 1 6 "Average Difference" HA 36 0.450 0.261 0.372 25680 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25680 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25680 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25680 36 1 6 "Average Difference" HN 34 0.504 0.108 0.500 25680 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25680 38 1 7 "Average Difference" HA 36 0.422 0.225 0.362 25680 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25680 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25680 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25680 42 1 7 "Average Difference" HN 34 0.339 0.109 0.326 25680 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25680 44 1 8 "Average Difference" HA 36 0.435 0.251 0.360 25680 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25680 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25680 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25680 48 1 8 "Average Difference" HN 34 0.416 0.110 0.407 25680 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25680 50 1 9 "Average Difference" HA 36 0.420 0.254 0.339 25680 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25680 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25680 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25680 54 1 9 "Average Difference" HN 34 0.401 0.122 0.388 25680 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25680 56 1 10 "Average Difference" HA 36 0.437 0.249 0.364 25680 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25680 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25680 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25680 60 1 10 "Average Difference" HN 34 0.423 0.085 0.421 25680 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25680 62 1 11 "Average Difference" HA 36 0.453 0.221 0.401 25680 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25680 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25680 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25680 66 1 11 "Average Difference" HN 34 0.390 0.064 0.390 25680 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25680 68 1 12 "Average Difference" HA 36 0.408 0.263 0.316 25680 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25680 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25680 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25680 72 1 12 "Average Difference" HN 34 0.361 0.050 0.363 25680 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25680 74 1 13 "Average Difference" HA 36 0.400 0.240 0.325 25680 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25680 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25680 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25680 78 1 13 "Average Difference" HN 34 0.469 0.124 0.459 25680 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25680 80 1 14 "Average Difference" HA 36 0.411 0.229 0.346 25680 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25680 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25680 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25680 84 1 14 "Average Difference" HN 34 0.411 0.089 0.407 25680 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25680 86 1 15 "Average Difference" HA 36 0.422 0.236 0.356 25680 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25680 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25680 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25680 90 1 15 "Average Difference" HN 34 0.451 0.109 0.444 25680 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25680 92 1 16 "Average Difference" HA 36 0.435 0.222 0.379 25680 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25680 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25680 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25680 96 1 16 "Average Difference" HN 34 0.340 0.147 0.311 25680 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25680 98 1 17 "Average Difference" HA 36 0.431 0.185 0.395 25680 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25680 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25680 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25680 102 1 17 "Average Difference" HN 34 0.346 0.017 0.351 25680 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25680 104 1 18 "Average Difference" HA 36 0.421 0.266 0.331 25680 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25680 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25680 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25680 108 1 18 "Average Difference" HN 34 0.418 0.086 0.415 25680 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25680 110 1 19 "Average Difference" HA 36 0.434 0.248 0.362 25680 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25680 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25680 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25680 114 1 19 "Average Difference" HN 34 0.425 0.079 0.424 25680 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25680 116 1 20 "Average Difference" HA 36 0.420 0.200 0.375 25680 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25680 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25680 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25680 120 1 20 "Average Difference" HN 34 0.364 0.043 0.367 25680 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 25680 _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 4.588 -0.429 25680 2 1 . 1 1 429 429 ALA H H 429 8.092 8.092 8.238 -0.146 25680 3 1 . 1 1 430 430 THR HA H 430 4.095 4.095 4.237 -0.142 25680 4 1 . 1 1 430 430 THR H H 430 8.044 8.044 8.521 -0.477 25680 5 1 . 1 1 431 431 ALA HA H 431 4.155 4.155 4.308 -0.153 25680 6 1 . 1 1 431 431 ALA H H 431 8.167 8.167 7.971 0.196 25680 7 1 . 1 1 432 432 VAL HA H 432 3.900 3.900 4.188 -0.288 25680 8 1 . 1 1 432 432 VAL H H 432 8.032 8.032 8.361 -0.329 25680 9 1 . 1 1 433 433 SER HA H 433 4.289 4.289 4.211 0.078 25680 10 1 . 1 1 433 433 SER H H 433 8.223 8.223 8.815 -0.592 25680 11 1 . 1 1 434 434 GLU HA H 434 3.965 3.965 4.289 -0.324 25680 12 1 . 1 1 434 434 GLU H H 434 8.644 8.644 8.585 0.059 25680 13 1 . 1 1 435 435 TRP HA H 435 5.139 5.139 5.362 -0.223 25680 14 1 . 1 1 435 435 TRP H H 435 8.051 8.051 7.798 0.253 25680 15 1 . 1 1 436 436 THR HA H 436 4.343 4.343 4.616 -0.274 25680 16 1 . 1 1 436 436 THR H H 436 9.331 9.331 9.058 0.273 25680 17 1 . 1 1 437 437 GLU HA H 437 4.187 4.187 4.573 -0.386 25680 18 1 . 1 1 437 437 GLU H H 437 8.371 8.371 8.530 -0.159 25680 19 1 . 1 1 438 438 TYR HA H 438 4.367 4.367 4.512 -0.145 25680 20 1 . 1 1 438 438 TYR H H 438 8.463 8.463 8.070 0.393 25680 21 1 . 1 1 439 439 LYS HA H 439 5.253 5.253 5.132 0.121 25680 22 1 . 1 1 439 439 LYS H H 439 7.992 7.992 8.457 -0.465 25680 23 1 . 1 1 440 440 THR HA H 440 4.460 4.460 4.701 -0.241 25680 24 1 . 1 1 440 440 THR H H 440 9.072 9.072 8.544 0.529 25680 25 1 . 1 1 441 441 ALA HA H 441 3.950 3.950 4.041 -0.091 25680 26 1 . 1 1 441 441 ALA H H 441 9.025 9.025 8.788 0.237 25680 27 1 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.564 -0.105 25680 28 1 . 1 1 442 442 ASP H H 442 7.874 7.874 8.096 -0.222 25680 29 1 . 1 1 443 443 GLY H H 443 7.818 7.818 8.327 -0.509 25680 30 1 . 1 1 444 444 LYS HA H 444 4.350 4.350 4.740 -0.390 25680 31 1 . 1 1 444 444 LYS H H 444 7.716 7.716 8.042 -0.326 25680 32 1 . 1 1 445 445 THR HA H 445 4.781 4.781 4.988 -0.207 25680 33 1 . 1 1 445 445 THR H H 445 8.526 8.526 8.836 -0.310 25680 34 1 . 1 1 446 446 TYR HA H 446 4.501 4.501 4.555 -0.054 25680 35 1 . 1 1 446 446 TYR H H 446 8.551 8.551 8.412 0.139 25680 36 1 . 1 1 447 447 TYR HA H 447 4.970 4.970 5.117 -0.147 25680 37 1 . 1 1 447 447 TYR H H 447 8.668 8.668 8.987 -0.319 25680 38 1 . 1 1 448 448 TYR HA H 448 5.408 5.408 5.426 -0.018 25680 39 1 . 1 1 448 448 TYR H H 448 9.188 9.188 9.605 -0.417 25680 40 1 . 1 1 449 449 ASN HA H 449 4.042 4.042 4.566 -0.524 25680 41 1 . 1 1 449 449 ASN H H 449 8.112 8.112 8.299 -0.187 25680 42 1 . 1 1 450 450 ASN HA H 450 3.968 3.968 4.396 -0.428 25680 43 1 . 1 1 450 450 ASN H H 450 8.382 8.382 8.441 -0.059 25680 44 1 . 1 1 451 451 ARG HA H 451 3.975 3.975 4.160 -0.185 25680 45 1 . 1 1 451 451 ARG H H 451 8.316 8.316 7.843 0.473 25680 46 1 . 1 1 452 452 THR HA H 452 3.464 3.464 4.284 -0.820 25680 47 1 . 1 1 452 452 THR H H 452 7.579 7.579 7.982 -0.403 25680 48 1 . 1 1 453 453 TRP HA H 453 4.065 4.065 3.917 0.148 25680 49 1 . 1 1 453 453 TRP H H 453 7.654 7.654 7.755 -0.101 25680 50 1 . 1 1 454 454 GLU HA H 454 4.170 4.170 4.507 -0.337 25680 51 1 . 1 1 454 454 GLU H H 454 7.109 7.109 7.265 -0.156 25680 52 1 . 1 1 455 455 SER HA H 455 5.831 5.831 5.646 0.185 25680 53 1 . 1 1 455 455 SER H H 455 8.288 8.288 8.681 -0.393 25680 54 1 . 1 1 456 456 THR HA H 456 4.624 4.624 4.702 -0.078 25680 55 1 . 1 1 456 456 THR H H 456 9.146 9.146 8.899 0.247 25680 56 1 . 1 1 457 457 TRP HA H 457 4.796 4.796 4.967 -0.171 25680 57 1 . 1 1 457 457 TRP H H 457 8.307 8.307 8.724 -0.417 25680 58 1 . 1 1 458 458 GLU HA H 458 4.174 4.174 4.547 -0.373 25680 59 1 . 1 1 458 458 GLU H H 458 8.001 8.001 7.701 0.300 25680 60 1 . 1 1 459 459 LYS HA H 459 2.523 2.523 4.098 -1.575 25680 61 1 . 1 1 459 459 LYS H H 459 8.203 8.203 8.414 -0.211 25680 62 1 . 1 1 460 460 PRO HA H 460 3.703 3.703 4.009 -0.306 25680 63 1 . 1 1 461 461 GLN HA H 461 3.575 3.575 3.915 -0.340 25680 64 1 . 1 1 461 461 GLN H H 461 8.340 8.340 8.616 -0.276 25680 65 1 . 1 1 462 462 GLU HA H 462 3.936 3.936 4.191 -0.255 25680 66 1 . 1 1 462 462 GLU H H 462 8.860 8.860 8.439 0.421 25680 67 1 . 1 1 463 463 LEU HA H 463 4.196 4.196 4.570 -0.374 25680 68 1 . 1 1 463 463 LEU H H 463 7.395 7.395 7.582 -0.187 25680 stop_ save_