data_16040_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16040
_Entry.PDB_ID 2KB6
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 10
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_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.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 13 . 1 1 1 A 3 3 TRP H H 3 9.300 9.120 0.180 1
1 14 . 1 1 1 A 3 3 TRP HA H 3 5.398 4.281 1.117 1
1 23 . 1 1 1 A 3 3 TRP N N 3 123.555 121.804 1.751 1
1 25 . 1 1 1 A 4 4 LEU H H 4 8.275 7.760 0.515 1
1 26 . 1 1 1 A 4 4 LEU HA H 4 3.677 3.769 -0.092 1
1 36 . 1 1 1 A 4 4 LEU N N 4 120.894 120.638 0.256 1
1 37 . 1 1 1 A 5 5 THR H H 5 8.719 8.521 0.198 1
1 38 . 1 1 1 A 5 5 THR HA H 5 3.799 3.938 -0.139 1
1 43 . 1 1 1 A 5 5 THR N N 5 117.567 114.708 2.859 1
1 44 . 1 1 1 A 6 6 PHE H H 6 8.735 8.067 0.668 1
1 45 . 1 1 1 A 6 6 PHE HA H 6 4.139 4.152 -0.013 1
1 53 . 1 1 1 A 6 6 PHE N N 6 122.982 121.592 1.390 1
1 54 . 1 1 1 A 7 7 GLN H H 7 8.053 7.668 0.385 1
1 55 . 1 1 1 A 7 7 GLN HA H 7 3.456 3.179 0.277 1
1 62 . 1 1 1 A 7 7 GLN N N 7 117.062 118.491 -1.429 1
1 64 . 1 1 1 A 8 8 LYS H H 8 7.366 7.472 -0.106 1
1 65 . 1 1 1 A 8 8 LYS HA H 8 3.845 3.964 -0.119 1
1 77 . 1 1 1 A 8 8 LYS N N 8 117.944 121.004 -3.060 1
1 78 . 1 1 1 A 9 9 LYS H H 9 7.996 7.538 0.458 1
1 79 . 1 1 1 A 9 9 LYS HA H 9 3.969 4.034 -0.065 1
1 86 . 1 1 1 A 9 9 LYS N N 9 115.014 118.837 -3.823 1
1 87 . 1 1 1 A 10 10 HIS H H 10 7.785 7.801 -0.016 1
1 88 . 1 1 1 A 10 10 HIS HA H 10 4.536 4.583 -0.047 1
1 93 . 1 1 1 A 10 10 HIS N N 10 107.185 113.559 -6.374 1
1 94 . 1 1 1 A 11 11 ILE H H 11 8.179 7.390 0.789 1
1 95 . 1 1 1 A 11 11 ILE HA H 11 5.064 4.497 0.567 1
1 105 . 1 1 1 A 11 11 ILE N N 11 121.378 118.976 2.402 1
1 106 . 1 1 1 A 12 12 THR H H 12 8.546 8.634 -0.088 1
1 107 . 1 1 1 A 12 12 THR HA H 12 5.002 4.801 0.201 1
1 112 . 1 1 1 A 12 12 THR N N 12 120.322 121.532 -1.210 1
1 113 . 1 1 1 A 13 13 ASN H H 13 8.263 8.741 -0.478 1
1 114 . 1 1 1 A 13 13 ASN HA H 13 4.827 4.890 -0.063 1
1 119 . 1 1 1 A 13 13 ASN N N 13 123.517 123.072 0.445 1
1 121 . 1 1 1 A 14 14 THR H H 14 7.878 6.939 0.939 1
1 122 . 1 1 1 A 14 14 THR HA H 14 4.395 4.314 0.081 1
1 127 . 1 1 1 A 14 14 THR N N 14 113.563 112.738 0.825 1
1 128 . 1 1 1 A 15 15 ARG H H 15 8.545 8.037 0.508 1
1 129 . 1 1 1 A 15 15 ARG HA H 15 3.448 3.953 -0.505 1
1 137 . 1 1 1 A 15 15 ARG N N 15 126.331 125.354 0.977 1
1 138 . 1 1 1 A 16 16 ASP H H 16 7.846 7.112 0.734 1
1 139 . 1 1 1 A 16 16 ASP HA H 16 4.512 4.704 -0.192 1
1 142 . 1 1 1 A 16 16 ASP N N 16 121.932 119.852 2.080 1
1 143 . 1 1 1 A 17 17 VAL H H 17 6.499 8.460 -1.961 1
1 144 . 1 1 1 A 17 17 VAL HA H 17 2.954 4.231 -1.277 1
1 152 . 1 1 1 A 17 17 VAL N N 17 121.499 125.905 -4.406 1
1 153 . 1 1 1 A 18 18 ASP H H 18 8.566 8.849 -0.283 1
1 154 . 1 1 1 A 18 18 ASP HA H 18 4.524 4.619 -0.095 1
1 157 . 1 1 1 A 18 18 ASP N N 18 127.059 128.008 -0.949 1
1 158 . 1 1 1 A 19 19 CYS H H 19 7.838 7.999 -0.161 1
1 159 . 1 1 1 A 19 19 CYS HA H 19 3.556 3.954 -0.398 1
1 162 . 1 1 1 A 19 19 CYS N N 19 120.870 121.960 -1.090 1
1 163 . 1 1 1 A 20 20 ASP H H 20 8.819 8.252 0.567 1
1 164 . 1 1 1 A 20 20 ASP HA H 20 4.298 4.446 -0.148 1
1 167 . 1 1 1 A 20 20 ASP N N 20 118.657 120.909 -2.252 1
1 168 . 1 1 1 A 21 21 ASN H H 21 6.997 7.729 -0.732 1
1 169 . 1 1 1 A 21 21 ASN HA H 21 4.589 4.696 -0.107 1
1 174 . 1 1 1 A 21 21 ASN N N 21 114.544 115.508 -0.964 1
1 176 . 1 1 1 A 22 22 ILE H H 22 7.844 8.328 -0.484 1
1 177 . 1 1 1 A 22 22 ILE HA H 22 3.957 3.605 0.352 1
1 187 . 1 1 1 A 22 22 ILE N N 22 119.569 120.610 -1.041 1
1 188 . 1 1 1 A 23 23 MET H H 23 8.494 7.742 0.752 1
1 189 . 1 1 1 A 23 23 MET HA H 23 4.138 4.141 -0.003 1
1 194 . 1 1 1 A 23 23 MET N N 23 117.955 119.521 -1.566 1
1 195 . 1 1 1 A 24 24 SER H H 24 7.101 7.482 -0.381 1
1 196 . 1 1 1 A 24 24 SER HA H 24 4.114 4.449 -0.335 1
1 199 . 1 1 1 A 24 24 SER N N 24 108.759 114.551 -5.792 1
1 200 . 1 1 1 A 25 25 THR H H 25 7.455 7.816 -0.361 1
1 201 . 1 1 1 A 25 25 THR HA H 25 4.553 4.404 0.149 1
1 206 . 1 1 1 A 25 25 THR N N 25 113.003 115.895 -2.892 1
1 207 . 1 1 1 A 26 26 ASN H H 26 7.468 9.089 -1.621 1
1 208 . 1 1 1 A 26 26 ASN HA H 26 4.070 4.557 -0.487 1
1 213 . 1 1 1 A 26 26 ASN N N 26 117.889 125.888 -7.999 1
1 215 . 1 1 1 A 27 27 LEU H H 27 7.379 7.979 -0.600 1
1 216 . 1 1 1 A 27 27 LEU HA H 27 3.763 4.112 -0.349 1
1 226 . 1 1 1 A 27 27 LEU N N 27 117.538 121.178 -3.640 1
1 227 . 1 1 1 A 28 28 PHE H H 28 6.693 8.060 -1.367 1
1 228 . 1 1 1 A 28 28 PHE HA H 28 4.334 4.328 0.006 1
1 236 . 1 1 1 A 28 28 PHE N N 28 113.427 114.298 -0.871 1
1 237 . 1 1 1 A 29 29 HIS H H 29 8.798 9.427 -0.629 1
1 238 . 1 1 1 A 29 29 HIS HA H 29 4.249 4.359 -0.110 1
1 243 . 1 1 1 A 29 29 HIS N N 29 114.076 115.803 -1.727 1
1 244 . 1 1 1 A 30 30 CYS H H 30 9.153 8.971 0.182 1
1 245 . 1 1 1 A 30 30 CYS HA H 30 4.512 4.305 0.207 1
1 248 . 1 1 1 A 30 30 CYS N N 30 109.137 116.683 -7.546 1
1 249 . 1 1 1 A 31 31 LYS H H 31 7.521 7.811 -0.290 1
1 250 . 1 1 1 A 31 31 LYS HA H 31 4.334 4.514 -0.180 1
1 262 . 1 1 1 A 31 31 LYS N N 31 117.016 117.300 -0.284 1
1 263 . 1 1 1 A 32 32 ASP H H 32 8.496 8.876 -0.380 1
1 264 . 1 1 1 A 32 32 ASP HA H 32 4.139 4.646 -0.507 1
1 267 . 1 1 1 A 32 32 ASP N N 32 120.267 118.415 1.852 1
1 268 . 1 1 1 A 33 33 LYS H H 33 7.519 7.732 -0.213 1
1 269 . 1 1 1 A 33 33 LYS HA H 33 5.563 5.841 -0.278 1
1 281 . 1 1 1 A 33 33 LYS N N 33 114.737 116.139 -1.402 1
1 282 . 1 1 1 A 34 34 ASN H H 34 7.794 8.279 -0.485 1
1 283 . 1 1 1 A 34 34 ASN HA H 34 4.477 5.106 -0.629 1
1 288 . 1 1 1 A 34 34 ASN N N 34 116.413 119.213 -2.800 1
1 290 . 1 1 1 A 35 35 THR H H 35 7.819 8.836 -1.017 1
1 291 . 1 1 1 A 35 35 THR HA H 35 4.454 5.036 -0.582 1
1 296 . 1 1 1 A 35 35 THR N N 35 122.595 122.475 0.120 1
1 297 . 1 1 1 A 36 36 PHE H H 36 9.192 8.472 0.720 1
1 298 . 1 1 1 A 36 36 PHE HA H 36 4.465 5.516 -1.051 1
1 306 . 1 1 1 A 36 36 PHE N N 36 125.174 121.379 3.795 1
1 307 . 1 1 1 A 37 37 ILE H H 37 9.389 9.543 -0.154 1
1 308 . 1 1 1 A 37 37 ILE HA H 37 4.197 4.550 -0.353 1
1 318 . 1 1 1 A 37 37 ILE N N 37 122.998 120.407 2.591 1
1 319 . 1 1 1 A 38 38 TYR H H 38 8.959 9.146 -0.187 1
1 320 . 1 1 1 A 38 38 TYR HA H 38 5.341 5.322 0.019 1
1 327 . 1 1 1 A 38 38 TYR N N 38 129.369 130.441 -1.072 1
1 328 . 1 1 1 A 39 39 SER H H 39 7.608 8.618 -1.010 1
1 329 . 1 1 1 A 39 39 SER HA H 39 4.298 4.845 -0.547 1
1 332 . 1 1 1 A 39 39 SER N N 39 121.061 123.850 -2.789 1
1 333 . 1 1 1 A 40 40 ARG H H 40 8.441 8.729 -0.288 1
1 334 . 1 1 1 A 40 40 ARG HA H 40 4.633 4.602 0.031 1
1 342 . 1 1 1 A 40 40 ARG N N 40 123.846 124.324 -0.478 1
1 343 . 1 1 1 A 41 41 PRO HA H 41 3.881 4.484 -0.603 1
1 350 . 1 1 1 A 42 42 GLU H H 42 9.361 8.550 0.811 1
1 351 . 1 1 1 A 42 42 GLU HA H 42 4.103 4.222 -0.119 1
1 356 . 1 1 1 A 42 42 GLU N N 42 118.394 118.140 0.254 1
1 357 . 1 1 1 A 43 43 PRO HA H 43 4.371 4.446 -0.075 1
1 364 . 1 1 1 A 44 44 VAL H H 44 6.810 7.025 -0.215 1
1 365 . 1 1 1 A 44 44 VAL HA H 44 3.823 3.834 -0.011 1
1 373 . 1 1 1 A 44 44 VAL N N 44 116.005 116.614 -0.609 1
1 374 . 1 1 1 A 45 45 LYS H H 45 8.399 8.108 0.291 1
1 375 . 1 1 1 A 45 45 LYS HA H 45 2.748 3.988 -1.240 1
1 382 . 1 1 1 A 45 45 LYS N N 45 121.531 120.993 0.538 1
1 383 . 1 1 1 A 46 46 ALA H H 46 7.601 8.256 -0.655 1
1 384 . 1 1 1 A 46 46 ALA HA H 46 3.823 4.047 -0.224 1
1 388 . 1 1 1 A 46 46 ALA N N 46 115.333 121.271 -5.938 1
1 389 . 1 1 1 A 47 47 ILE H H 47 7.345 7.472 -0.127 1
1 390 . 1 1 1 A 47 47 ILE HA H 47 3.592 3.586 0.006 1
1 400 . 1 1 1 A 47 47 ILE N N 47 119.605 118.540 1.065 1
1 401 . 1 1 1 A 48 48 CYS H H 48 7.094 7.811 -0.717 1
1 402 . 1 1 1 A 48 48 CYS HA H 48 4.589 4.723 -0.134 1
1 405 . 1 1 1 A 48 48 CYS N N 48 111.804 115.180 -3.376 1
1 406 . 1 1 1 A 49 49 LYS H H 49 7.223 7.285 -0.062 1
1 407 . 1 1 1 A 49 49 LYS HA H 49 3.787 3.861 -0.074 1
1 416 . 1 1 1 A 49 49 LYS N N 49 123.849 123.403 0.446 1
1 417 . 1 1 1 A 50 50 GLY H H 50 9.126 8.974 0.152 1
1 418 . 1 1 1 A 50 50 GLY HA2 H 50 4.018 3.952 0.066 1
1 419 . 1 1 1 A 50 50 GLY HA3 H 50 3.398 3.953 -0.555 1
1 420 . 1 1 1 A 50 50 GLY N N 50 114.134 114.398 -0.264 1
1 421 . 1 1 1 A 51 51 ILE H H 51 7.759 7.902 -0.143 1
1 422 . 1 1 1 A 51 51 ILE HA H 51 3.904 4.124 -0.220 1
1 432 . 1 1 1 A 51 51 ILE N N 51 122.336 122.330 0.006 1
1 433 . 1 1 1 A 52 52 ILE H H 52 8.204 8.832 -0.628 1
1 434 . 1 1 1 A 52 52 ILE HA H 52 3.706 4.252 -0.546 1
1 444 . 1 1 1 A 52 52 ILE N N 52 128.010 129.082 -1.072 1
1 445 . 1 1 1 A 53 53 ALA H H 53 7.722 7.606 0.116 1
1 446 . 1 1 1 A 53 53 ALA HA H 53 4.220 4.351 -0.131 1
1 450 . 1 1 1 A 53 53 ALA N N 53 123.517 125.462 -1.945 1
1 451 . 1 1 1 A 54 54 SER H H 54 7.929 8.648 -0.719 1
1 452 . 1 1 1 A 54 54 SER HA H 54 4.885 5.034 -0.149 1
1 455 . 1 1 1 A 54 54 SER N N 54 112.613 118.421 -5.808 1
1 456 . 1 1 1 A 55 55 LYS H H 55 8.361 8.455 -0.094 1
1 457 . 1 1 1 A 55 55 LYS HA H 55 4.261 4.997 -0.736 1
1 466 . 1 1 1 A 55 55 LYS N N 55 126.198 122.470 3.728 1
1 467 . 1 1 1 A 56 56 ASN H H 56 8.677 8.730 -0.053 1
1 468 . 1 1 1 A 56 56 ASN HA H 56 5.629 5.361 0.268 1
1 473 . 1 1 1 A 56 56 ASN N N 56 125.474 118.682 6.792 1
1 475 . 1 1 1 A 57 57 VAL H H 57 9.071 8.980 0.091 1
1 476 . 1 1 1 A 57 57 VAL HA H 57 4.102 4.642 -0.540 1
1 484 . 1 1 1 A 57 57 VAL N N 57 122.842 121.449 1.393 1
1 485 . 1 1 1 A 58 58 LEU H H 58 8.003 8.694 -0.691 1
1 486 . 1 1 1 A 58 58 LEU HA H 58 4.565 4.931 -0.366 1
1 496 . 1 1 1 A 58 58 LEU N N 58 126.427 127.367 -0.940 1
1 497 . 1 1 1 A 59 59 THR H H 59 8.729 8.944 -0.215 1
1 498 . 1 1 1 A 59 59 THR HA H 59 4.018 4.004 0.014 1
1 503 . 1 1 1 A 59 59 THR N N 59 117.852 118.956 -1.104 1
1 504 . 1 1 1 A 60 60 THR H H 60 8.464 8.917 -0.453 1
1 505 . 1 1 1 A 60 60 THR HA H 60 4.152 4.455 -0.303 1
1 510 . 1 1 1 A 60 60 THR N N 60 110.875 121.115 -10.240 1
1 511 . 1 1 1 A 61 61 SER H H 61 7.518 7.915 -0.397 1
1 512 . 1 1 1 A 61 61 SER HA H 61 4.553 4.869 -0.316 1
1 515 . 1 1 1 A 61 61 SER N N 61 114.743 115.458 -0.715 1
1 516 . 1 1 1 A 62 62 GLU H H 62 8.363 8.397 -0.034 1
1 517 . 1 1 1 A 62 62 GLU HA H 62 4.045 4.895 -0.850 1
1 522 . 1 1 1 A 62 62 GLU N N 62 119.457 122.477 -3.020 1
1 523 . 1 1 1 A 63 63 PHE H H 63 8.539 9.552 -1.013 1
1 524 . 1 1 1 A 63 63 PHE HA H 63 4.512 4.798 -0.286 1
1 532 . 1 1 1 A 63 63 PHE N N 63 121.301 122.182 -0.881 1
1 533 . 1 1 1 A 64 64 TYR H H 64 9.648 9.148 0.500 1
1 534 . 1 1 1 A 64 64 TYR HA H 64 4.839 5.001 -0.162 1
1 541 . 1 1 1 A 64 64 TYR N N 64 119.292 120.789 -1.497 1
1 542 . 1 1 1 A 65 65 LEU H H 65 9.244 9.334 -0.090 1
1 543 . 1 1 1 A 65 65 LEU HA H 65 5.308 4.731 0.577 1
1 553 . 1 1 1 A 65 65 LEU N N 65 125.959 125.874 0.085 1
1 554 . 1 1 1 A 66 66 SER H H 66 9.446 7.720 1.726 1
1 555 . 1 1 1 A 66 66 SER HA H 66 5.096 5.527 -0.431 1
1 558 . 1 1 1 A 66 66 SER N N 66 121.031 119.347 1.684 1
1 559 . 1 1 1 A 67 67 ASP H H 67 9.348 9.110 0.238 1
1 560 . 1 1 1 A 67 67 ASP HA H 67 5.459 5.149 0.310 1
1 563 . 1 1 1 A 67 67 ASP N N 67 125.532 125.024 0.508 1
1 564 . 1 1 1 A 68 68 CYS H H 68 8.355 8.624 -0.269 1
1 565 . 1 1 1 A 68 68 CYS HA H 68 5.131 5.032 0.099 1
1 568 . 1 1 1 A 68 68 CYS N N 68 118.606 122.730 -4.124 1
1 569 . 1 1 1 A 69 69 ASN H H 69 8.586 8.864 -0.278 1
1 570 . 1 1 1 A 69 69 ASN HA H 69 5.471 5.508 -0.037 1
1 575 . 1 1 1 A 69 69 ASN N N 69 121.731 123.638 -1.907 1
1 577 . 1 1 1 A 70 70 VAL H H 70 9.041 8.980 0.061 1
1 578 . 1 1 1 A 70 70 VAL HA H 70 3.446 3.930 -0.484 1
1 586 . 1 1 1 A 70 70 VAL N N 70 128.654 127.249 1.405 1
1 587 . 1 1 1 A 71 71 THR H H 71 8.073 8.801 -0.728 1
1 588 . 1 1 1 A 71 71 THR HA H 71 4.562 4.593 -0.031 1
1 593 . 1 1 1 A 71 71 THR N N 71 116.683 118.279 -1.596 1
1 594 . 1 1 1 A 72 72 SER H H 72 8.060 8.675 -0.615 1
1 595 . 1 1 1 A 72 72 SER HA H 72 4.102 4.206 -0.104 1
1 598 . 1 1 1 A 73 73 ARG H H 73 7.728 7.535 0.193 1
1 599 . 1 1 1 A 73 73 ARG HA H 73 4.577 4.418 0.159 1
1 607 . 1 1 1 A 73 73 ARG N N 73 124.362 120.156 4.206 1
1 608 . 1 1 1 A 74 74 PRO HA H 74 3.845 4.199 -0.354 1
1 615 . 1 1 1 A 75 75 CYS H H 75 8.594 8.607 -0.013 1
1 616 . 1 1 1 A 75 75 CYS HA H 75 4.113 3.843 0.270 1
1 619 . 1 1 1 A 75 75 CYS N N 75 120.291 120.695 -0.404 1
1 620 . 1 1 1 A 76 76 LYS H H 76 7.041 7.017 0.024 1
1 621 . 1 1 1 A 76 76 LYS HA H 76 4.745 4.805 -0.060 1
1 628 . 1 1 1 A 76 76 LYS N N 76 116.469 119.132 -2.663 1
1 629 . 1 1 1 A 77 77 TYR H H 77 9.907 8.727 1.180 1
1 630 . 1 1 1 A 77 77 TYR HA H 77 4.301 5.390 -1.089 1
1 637 . 1 1 1 A 77 77 TYR N N 77 123.774 122.440 1.334 1
1 638 . 1 1 1 A 78 78 LYS H H 78 8.852 8.882 -0.030 1
1 639 . 1 1 1 A 78 78 LYS HA H 78 4.529 5.054 -0.525 1
1 651 . 1 1 1 A 78 78 LYS N N 78 120.664 119.802 0.862 1
1 652 . 1 1 1 A 79 79 LEU H H 79 8.392 9.053 -0.661 1
1 653 . 1 1 1 A 79 79 LEU HA H 79 5.259 5.068 0.191 1
1 663 . 1 1 1 A 79 79 LEU N N 79 126.842 124.219 2.623 1
1 664 . 1 1 1 A 80 80 LYS H H 80 9.300 8.985 0.315 1
1 665 . 1 1 1 A 80 80 LYS HA H 80 4.745 4.917 -0.172 1
1 672 . 1 1 1 A 80 80 LYS N N 80 128.617 126.087 2.530 1
1 673 . 1 1 1 A 81 81 LYS H H 81 9.242 9.122 0.120 1
1 674 . 1 1 1 A 81 81 LYS HA H 81 5.159 4.994 0.165 1
1 683 . 1 1 1 A 81 81 LYS N N 81 130.142 128.881 1.261 1
1 684 . 1 1 1 A 82 82 SER H H 82 8.828 9.323 -0.495 1
1 685 . 1 1 1 A 82 82 SER HA H 82 4.753 5.378 -0.625 1
1 688 . 1 1 1 A 82 82 SER N N 82 117.009 121.457 -4.448 1
1 689 . 1 1 1 A 83 83 THR H H 83 8.402 8.954 -0.552 1
1 690 . 1 1 1 A 83 83 THR HA H 83 5.374 5.619 -0.245 1
1 695 . 1 1 1 A 83 83 THR N N 83 115.259 117.753 -2.494 1
1 696 . 1 1 1 A 84 84 ASN H H 84 9.053 8.634 0.419 1
1 697 . 1 1 1 A 84 84 ASN HA H 84 4.863 5.169 -0.306 1
1 702 . 1 1 1 A 84 84 ASN N N 84 121.758 123.387 -1.629 1
1 704 . 1 1 1 A 85 85 LYS H H 85 8.837 8.337 0.500 1
1 705 . 1 1 1 A 85 85 LYS HA H 85 4.401 4.805 -0.404 1
1 712 . 1 1 1 A 85 85 LYS N N 85 120.865 118.570 2.295 1
1 713 . 1 1 1 A 86 86 PHE H H 86 7.830 8.480 -0.650 1
1 714 . 1 1 1 A 86 86 PHE HA H 86 4.944 5.461 -0.517 1
1 722 . 1 1 1 A 86 86 PHE N N 86 114.090 116.501 -2.411 1
1 723 . 1 1 1 A 87 87 ALA H H 87 8.702 8.555 0.147 1
1 724 . 1 1 1 A 87 87 ALA HA H 87 5.715 5.657 0.058 1
1 728 . 1 1 1 A 87 87 ALA N N 87 121.161 122.386 -1.225 1
1 729 . 1 1 1 A 88 88 VAL H H 88 8.472 8.945 -0.473 1
1 730 . 1 1 1 A 88 88 VAL HA H 88 4.918 4.914 0.004 1
1 738 . 1 1 1 A 88 88 VAL N N 88 112.187 117.289 -5.102 1
1 739 . 1 1 1 A 89 89 THR H H 89 8.469 9.279 -0.810 1
1 740 . 1 1 1 A 89 89 THR HA H 89 4.760 4.424 0.336 1
1 745 . 1 1 1 A 89 89 THR N N 89 118.002 119.202 -1.200 1
1 746 . 1 1 1 A 90 90 CYS H H 90 9.106 9.121 -0.015 1
1 747 . 1 1 1 A 90 90 CYS HA H 90 5.049 5.768 -0.719 1
1 750 . 1 1 1 A 90 90 CYS N N 90 126.735 125.656 1.079 1
1 751 . 1 1 1 A 91 91 GLU H H 91 8.687 9.110 -0.423 1
1 752 . 1 1 1 A 91 91 GLU HA H 91 4.079 4.530 -0.451 1
1 757 . 1 1 1 A 91 91 GLU N N 91 118.639 122.281 -3.642 1
1 758 . 1 1 1 A 92 92 ASN H H 92 10.229 9.837 0.392 1
1 759 . 1 1 1 A 92 92 ASN HA H 92 4.237 4.395 -0.158 1
1 764 . 1 1 1 A 92 92 ASN N N 92 126.427 126.294 0.133 1
1 766 . 1 1 1 A 93 93 GLN H H 93 8.746 8.707 0.039 1
1 767 . 1 1 1 A 93 93 GLN HA H 93 3.939 4.000 -0.061 1
1 774 . 1 1 1 A 93 93 GLN N N 93 105.324 109.176 -3.852 1
1 776 . 1 1 1 A 94 94 ALA H H 94 7.487 7.240 0.247 1
1 777 . 1 1 1 A 94 94 ALA HA H 94 4.313 4.681 -0.368 1
1 781 . 1 1 1 A 94 94 ALA N N 94 118.760 119.388 -0.628 1
1 782 . 1 1 1 A 95 95 PRO HA H 95 5.061 4.726 0.335 1
1 789 . 1 1 1 A 96 96 VAL H H 96 8.499 8.618 -0.119 1
1 790 . 1 1 1 A 96 96 VAL HA H 96 4.443 4.547 -0.104 1
1 798 . 1 1 1 A 96 96 VAL N N 96 108.711 113.217 -4.506 1
1 799 . 1 1 1 A 97 97 HIS H H 97 7.326 7.287 0.039 1
1 800 . 1 1 1 A 97 97 HIS HA H 97 5.400 4.998 0.402 1
1 805 . 1 1 1 A 97 97 HIS N N 97 116.780 120.094 -3.314 1
1 806 . 1 1 1 A 98 98 PHE H H 98 8.120 8.769 -0.649 1
1 807 . 1 1 1 A 98 98 PHE HA H 98 4.430 4.586 -0.156 1
1 815 . 1 1 1 A 99 99 VAL H H 99 8.208 8.760 -0.552 1
1 816 . 1 1 1 A 99 99 VAL HA H 99 3.829 3.827 0.002 1
1 824 . 1 1 1 A 99 99 VAL N N 99 129.253 127.000 2.253 1
1 825 . 1 1 1 A 100 100 GLY H H 100 6.578 5.909 0.669 1
1 826 . 1 1 1 A 100 100 GLY HA2 H 100 4.212 3.538 0.674 1
1 827 . 1 1 1 A 100 100 GLY HA3 H 100 3.921 3.805 0.116 1
1 828 . 1 1 1 A 100 100 GLY N N 100 104.609 105.465 -0.856 1
1 829 . 1 1 1 A 101 101 VAL H H 101 8.454 8.415 0.039 1
1 830 . 1 1 1 A 101 101 VAL HA H 101 4.371 4.595 -0.224 1
1 838 . 1 1 1 A 101 101 VAL N N 101 116.884 117.103 -0.219 1
1 839 . 1 1 1 A 102 102 GLY H H 102 8.333 8.410 -0.077 1
1 840 . 1 1 1 A 102 102 GLY HA2 H 102 3.945 4.126 -0.181 1
1 841 . 1 1 1 A 102 102 GLY HA3 H 102 3.641 4.142 -0.501 1
1 842 . 1 1 1 A 102 102 GLY N N 102 112.591 110.214 2.377 1
1 843 . 1 1 1 A 103 103 SER H H 103 7.904 8.813 -0.909 1
1 844 . 1 1 1 A 103 103 SER HA H 103 4.322 4.896 -0.574 1
1 847 . 1 1 1 A 103 103 SER N N 103 114.061 117.500 -3.439 1
1 13 . 2 1 1 A 3 3 TRP H H 3 9.300 9.194 0.106 1
1 14 . 2 1 1 A 3 3 TRP HA H 3 5.398 4.275 1.123 1
1 23 . 2 1 1 A 3 3 TRP N N 3 123.555 127.982 -4.427 1
1 25 . 2 1 1 A 4 4 LEU H H 4 8.275 8.384 -0.109 1
1 26 . 2 1 1 A 4 4 LEU HA H 4 3.677 3.753 -0.076 1
1 36 . 2 1 1 A 4 4 LEU N N 4 120.894 120.676 0.218 1
1 37 . 2 1 1 A 5 5 THR H H 5 8.719 7.879 0.840 1
1 38 . 2 1 1 A 5 5 THR HA H 5 3.799 4.110 -0.311 1
1 43 . 2 1 1 A 5 5 THR N N 5 117.567 115.356 2.211 1
1 44 . 2 1 1 A 6 6 PHE H H 6 8.735 8.736 -0.001 1
1 45 . 2 1 1 A 6 6 PHE HA H 6 4.139 4.106 0.033 1
1 53 . 2 1 1 A 6 6 PHE N N 6 122.982 121.701 1.281 1
1 54 . 2 1 1 A 7 7 GLN H H 7 8.053 8.157 -0.104 1
1 55 . 2 1 1 A 7 7 GLN HA H 7 3.456 3.384 0.072 1
1 62 . 2 1 1 A 7 7 GLN N N 7 117.062 118.059 -0.997 1
1 64 . 2 1 1 A 8 8 LYS H H 8 7.366 7.422 -0.056 1
1 65 . 2 1 1 A 8 8 LYS HA H 8 3.845 4.008 -0.163 1
1 77 . 2 1 1 A 8 8 LYS N N 8 117.944 120.250 -2.306 1
1 78 . 2 1 1 A 9 9 LYS H H 9 7.996 7.584 0.412 1
1 79 . 2 1 1 A 9 9 LYS HA H 9 3.969 4.098 -0.129 1
1 86 . 2 1 1 A 9 9 LYS N N 9 115.014 118.988 -3.974 1
1 87 . 2 1 1 A 10 10 HIS H H 10 7.785 8.086 -0.301 1
1 88 . 2 1 1 A 10 10 HIS HA H 10 4.536 4.602 -0.066 1
1 93 . 2 1 1 A 10 10 HIS N N 10 107.185 117.327 -10.142 1
1 94 . 2 1 1 A 11 11 ILE H H 11 8.179 7.336 0.843 1
1 95 . 2 1 1 A 11 11 ILE HA H 11 5.064 4.175 0.889 1
1 105 . 2 1 1 A 11 11 ILE N N 11 121.378 120.964 0.414 1
1 106 . 2 1 1 A 12 12 THR H H 12 8.546 8.818 -0.272 1
1 107 . 2 1 1 A 12 12 THR HA H 12 5.002 4.822 0.180 1
1 112 . 2 1 1 A 12 12 THR N N 12 120.322 120.487 -0.165 1
1 113 . 2 1 1 A 13 13 ASN H H 13 8.263 8.735 -0.472 1
1 114 . 2 1 1 A 13 13 ASN HA H 13 4.827 4.870 -0.043 1
1 119 . 2 1 1 A 13 13 ASN N N 13 123.517 123.553 -0.036 1
1 121 . 2 1 1 A 14 14 THR H H 14 7.878 7.274 0.604 1
1 122 . 2 1 1 A 14 14 THR HA H 14 4.395 4.506 -0.111 1
1 127 . 2 1 1 A 14 14 THR N N 14 113.563 112.732 0.831 1
1 128 . 2 1 1 A 15 15 ARG H H 15 8.545 8.269 0.276 1
1 129 . 2 1 1 A 15 15 ARG HA H 15 3.448 3.778 -0.330 1
1 137 . 2 1 1 A 15 15 ARG N N 15 126.331 125.161 1.170 1
1 138 . 2 1 1 A 16 16 ASP H H 16 7.846 7.203 0.643 1
1 139 . 2 1 1 A 16 16 ASP HA H 16 4.512 4.748 -0.236 1
1 142 . 2 1 1 A 16 16 ASP N N 16 121.932 117.975 3.957 1
1 143 . 2 1 1 A 17 17 VAL H H 17 6.499 7.974 -1.475 1
1 144 . 2 1 1 A 17 17 VAL HA H 17 2.954 4.298 -1.344 1
1 152 . 2 1 1 A 17 17 VAL N N 17 121.499 121.654 -0.155 1
1 153 . 2 1 1 A 18 18 ASP H H 18 8.566 8.574 -0.008 1
1 154 . 2 1 1 A 18 18 ASP HA H 18 4.524 4.570 -0.046 1
1 157 . 2 1 1 A 18 18 ASP N N 18 127.059 128.730 -1.671 1
1 158 . 2 1 1 A 19 19 CYS H H 19 7.838 8.476 -0.638 1
1 159 . 2 1 1 A 19 19 CYS HA H 19 3.556 4.161 -0.605 1
1 162 . 2 1 1 A 19 19 CYS N N 19 120.870 124.654 -3.784 1
1 163 . 2 1 1 A 20 20 ASP H H 20 8.819 8.440 0.379 1
1 164 . 2 1 1 A 20 20 ASP HA H 20 4.298 3.944 0.354 1
1 167 . 2 1 1 A 20 20 ASP N N 20 118.657 121.108 -2.451 1
1 168 . 2 1 1 A 21 21 ASN H H 21 6.997 7.931 -0.934 1
1 169 . 2 1 1 A 21 21 ASN HA H 21 4.589 4.560 0.029 1
1 174 . 2 1 1 A 21 21 ASN N N 21 114.544 115.149 -0.605 1
1 176 . 2 1 1 A 22 22 ILE H H 22 7.844 7.634 0.210 1
1 177 . 2 1 1 A 22 22 ILE HA H 22 3.957 3.786 0.171 1
1 187 . 2 1 1 A 22 22 ILE N N 22 119.569 119.762 -0.193 1
1 188 . 2 1 1 A 23 23 MET H H 23 8.494 7.774 0.720 1
1 189 . 2 1 1 A 23 23 MET HA H 23 4.138 4.227 -0.089 1
1 194 . 2 1 1 A 23 23 MET N N 23 117.955 119.469 -1.514 1
1 195 . 2 1 1 A 24 24 SER H H 24 7.101 7.723 -0.622 1
1 196 . 2 1 1 A 24 24 SER HA H 24 4.114 4.429 -0.315 1
1 199 . 2 1 1 A 24 24 SER N N 24 108.759 114.780 -6.021 1
1 200 . 2 1 1 A 25 25 THR H H 25 7.455 7.866 -0.411 1
1 201 . 2 1 1 A 25 25 THR HA H 25 4.553 4.436 0.117 1
1 206 . 2 1 1 A 25 25 THR N N 25 113.003 116.030 -3.027 1
1 207 . 2 1 1 A 26 26 ASN H H 26 7.468 9.113 -1.645 1
1 208 . 2 1 1 A 26 26 ASN HA H 26 4.070 4.573 -0.503 1
1 213 . 2 1 1 A 26 26 ASN N N 26 117.889 126.349 -8.460 1
1 215 . 2 1 1 A 27 27 LEU H H 27 7.379 8.057 -0.678 1
1 216 . 2 1 1 A 27 27 LEU HA H 27 3.763 4.180 -0.417 1
1 226 . 2 1 1 A 27 27 LEU N N 27 117.538 120.582 -3.044 1
1 227 . 2 1 1 A 28 28 PHE H H 28 6.693 8.089 -1.396 1
1 228 . 2 1 1 A 28 28 PHE HA H 28 4.334 4.329 0.005 1
1 236 . 2 1 1 A 28 28 PHE N N 28 113.427 114.330 -0.903 1
1 237 . 2 1 1 A 29 29 HIS H H 29 8.798 8.973 -0.175 1
1 238 . 2 1 1 A 29 29 HIS HA H 29 4.249 4.367 -0.118 1
1 243 . 2 1 1 A 29 29 HIS N N 29 114.076 115.842 -1.766 1
1 244 . 2 1 1 A 30 30 CYS H H 30 9.153 8.584 0.569 1
1 245 . 2 1 1 A 30 30 CYS HA H 30 4.512 4.318 0.194 1
1 248 . 2 1 1 A 30 30 CYS N N 30 109.137 116.756 -7.619 1
1 249 . 2 1 1 A 31 31 LYS H H 31 7.521 7.891 -0.370 1
1 250 . 2 1 1 A 31 31 LYS HA H 31 4.334 4.559 -0.225 1
1 262 . 2 1 1 A 31 31 LYS N N 31 117.016 116.878 0.138 1
1 263 . 2 1 1 A 32 32 ASP H H 32 8.496 8.528 -0.032 1
1 264 . 2 1 1 A 32 32 ASP HA H 32 4.139 4.550 -0.411 1
1 267 . 2 1 1 A 32 32 ASP N N 32 120.267 120.214 0.053 1
1 268 . 2 1 1 A 33 33 LYS H H 33 7.519 7.574 -0.055 1
1 269 . 2 1 1 A 33 33 LYS HA H 33 5.563 4.711 0.852 1
1 281 . 2 1 1 A 33 33 LYS N N 33 114.737 116.794 -2.057 1
1 282 . 2 1 1 A 34 34 ASN H H 34 7.794 8.509 -0.715 1
1 283 . 2 1 1 A 34 34 ASN HA H 34 4.477 5.048 -0.571 1
1 288 . 2 1 1 A 34 34 ASN N N 34 116.413 121.838 -5.425 1
1 290 . 2 1 1 A 35 35 THR H H 35 7.819 8.841 -1.022 1
1 291 . 2 1 1 A 35 35 THR HA H 35 4.454 4.417 0.037 1
1 296 . 2 1 1 A 35 35 THR N N 35 122.595 121.635 0.960 1
1 297 . 2 1 1 A 36 36 PHE H H 36 9.192 7.198 1.994 1
1 298 . 2 1 1 A 36 36 PHE HA H 36 4.465 4.288 0.177 1
1 306 . 2 1 1 A 36 36 PHE N N 36 125.174 122.892 2.282 1
1 307 . 2 1 1 A 37 37 ILE H H 37 9.389 8.625 0.764 1
1 308 . 2 1 1 A 37 37 ILE HA H 37 4.197 4.524 -0.327 1
1 318 . 2 1 1 A 37 37 ILE N N 37 122.998 121.785 1.213 1
1 319 . 2 1 1 A 38 38 TYR H H 38 8.959 9.161 -0.202 1
1 320 . 2 1 1 A 38 38 TYR HA H 38 5.341 5.342 -0.001 1
1 327 . 2 1 1 A 38 38 TYR N N 38 129.369 130.063 -0.694 1
1 328 . 2 1 1 A 39 39 SER H H 39 7.608 8.362 -0.754 1
1 329 . 2 1 1 A 39 39 SER HA H 39 4.298 4.684 -0.386 1
1 332 . 2 1 1 A 39 39 SER N N 39 121.061 123.571 -2.510 1
1 333 . 2 1 1 A 40 40 ARG H H 40 8.441 8.489 -0.048 1
1 334 . 2 1 1 A 40 40 ARG HA H 40 4.633 4.579 0.054 1
1 342 . 2 1 1 A 40 40 ARG N N 40 123.846 121.996 1.850 1
1 343 . 2 1 1 A 41 41 PRO HA H 41 3.881 4.511 -0.630 1
1 350 . 2 1 1 A 42 42 GLU H H 42 9.361 8.425 0.936 1
1 351 . 2 1 1 A 42 42 GLU HA H 42 4.103 4.255 -0.152 1
1 356 . 2 1 1 A 42 42 GLU N N 42 118.394 118.232 0.162 1
1 357 . 2 1 1 A 43 43 PRO HA H 43 4.371 4.395 -0.024 1
1 364 . 2 1 1 A 44 44 VAL H H 44 6.810 7.082 -0.272 1
1 365 . 2 1 1 A 44 44 VAL HA H 44 3.823 3.783 0.040 1
1 373 . 2 1 1 A 44 44 VAL N N 44 116.005 116.153 -0.148 1
1 374 . 2 1 1 A 45 45 LYS H H 45 8.399 8.180 0.219 1
1 375 . 2 1 1 A 45 45 LYS HA H 45 2.748 3.877 -1.129 1
1 382 . 2 1 1 A 45 45 LYS N N 45 121.531 120.801 0.730 1
1 383 . 2 1 1 A 46 46 ALA H H 46 7.601 8.393 -0.792 1
1 384 . 2 1 1 A 46 46 ALA HA H 46 3.823 4.045 -0.222 1
1 388 . 2 1 1 A 46 46 ALA N N 46 115.333 121.318 -5.985 1
1 389 . 2 1 1 A 47 47 ILE H H 47 7.345 7.427 -0.082 1
1 390 . 2 1 1 A 47 47 ILE HA H 47 3.592 3.607 -0.015 1
1 400 . 2 1 1 A 47 47 ILE N N 47 119.605 118.638 0.967 1
1 401 . 2 1 1 A 48 48 CYS H H 48 7.094 7.770 -0.676 1
1 402 . 2 1 1 A 48 48 CYS HA H 48 4.589 4.708 -0.119 1
1 405 . 2 1 1 A 48 48 CYS N N 48 111.804 115.402 -3.598 1
1 406 . 2 1 1 A 49 49 LYS H H 49 7.223 7.353 -0.130 1
1 407 . 2 1 1 A 49 49 LYS HA H 49 3.787 3.934 -0.147 1
1 416 . 2 1 1 A 49 49 LYS N N 49 123.849 123.379 0.470 1
1 417 . 2 1 1 A 50 50 GLY H H 50 9.126 9.180 -0.054 1
1 418 . 2 1 1 A 50 50 GLY HA2 H 50 4.018 3.909 0.109 1
1 419 . 2 1 1 A 50 50 GLY HA3 H 50 3.398 3.910 -0.512 1
1 420 . 2 1 1 A 50 50 GLY N N 50 114.134 114.467 -0.333 1
1 421 . 2 1 1 A 51 51 ILE H H 51 7.759 7.919 -0.160 1
1 422 . 2 1 1 A 51 51 ILE HA H 51 3.904 4.125 -0.221 1
1 432 . 2 1 1 A 51 51 ILE N N 51 122.336 122.660 -0.324 1
1 433 . 2 1 1 A 52 52 ILE H H 52 8.204 8.829 -0.625 1
1 434 . 2 1 1 A 52 52 ILE HA H 52 3.706 4.265 -0.559 1
1 444 . 2 1 1 A 52 52 ILE N N 52 128.010 129.065 -1.055 1
1 445 . 2 1 1 A 53 53 ALA H H 53 7.722 7.692 0.030 1
1 446 . 2 1 1 A 53 53 ALA HA H 53 4.220 4.342 -0.122 1
1 450 . 2 1 1 A 53 53 ALA N N 53 123.517 125.296 -1.779 1
1 451 . 2 1 1 A 54 54 SER H H 54 7.929 8.503 -0.574 1
1 452 . 2 1 1 A 54 54 SER HA H 54 4.885 5.253 -0.368 1
1 455 . 2 1 1 A 54 54 SER N N 54 112.613 115.043 -2.430 1
1 456 . 2 1 1 A 55 55 LYS H H 55 8.361 8.256 0.105 1
1 457 . 2 1 1 A 55 55 LYS HA H 55 4.261 5.003 -0.742 1
1 466 . 2 1 1 A 55 55 LYS N N 55 126.198 122.756 3.442 1
1 467 . 2 1 1 A 56 56 ASN H H 56 8.677 8.697 -0.020 1
1 468 . 2 1 1 A 56 56 ASN HA H 56 5.629 4.948 0.681 1
1 473 . 2 1 1 A 56 56 ASN N N 56 125.474 121.572 3.902 1
1 475 . 2 1 1 A 57 57 VAL H H 57 9.071 9.053 0.018 1
1 476 . 2 1 1 A 57 57 VAL HA H 57 4.102 4.475 -0.373 1
1 484 . 2 1 1 A 57 57 VAL N N 57 122.842 126.075 -3.233 1
1 485 . 2 1 1 A 58 58 LEU H H 58 8.003 8.799 -0.796 1
1 486 . 2 1 1 A 58 58 LEU HA H 58 4.565 4.975 -0.410 1
1 496 . 2 1 1 A 58 58 LEU N N 58 126.427 127.429 -1.002 1
1 497 . 2 1 1 A 59 59 THR H H 59 8.729 8.849 -0.120 1
1 498 . 2 1 1 A 59 59 THR HA H 59 4.018 4.015 0.003 1
1 503 . 2 1 1 A 59 59 THR N N 59 117.852 118.899 -1.047 1
1 504 . 2 1 1 A 60 60 THR H H 60 8.464 8.822 -0.358 1
1 505 . 2 1 1 A 60 60 THR HA H 60 4.152 4.441 -0.289 1
1 510 . 2 1 1 A 60 60 THR N N 60 110.875 121.284 -10.409 1
1 511 . 2 1 1 A 61 61 SER H H 61 7.518 7.840 -0.322 1
1 512 . 2 1 1 A 61 61 SER HA H 61 4.553 4.851 -0.298 1
1 515 . 2 1 1 A 61 61 SER N N 61 114.743 116.342 -1.599 1
1 516 . 2 1 1 A 62 62 GLU H H 62 8.363 8.670 -0.307 1
1 517 . 2 1 1 A 62 62 GLU HA H 62 4.045 5.256 -1.211 1
1 522 . 2 1 1 A 62 62 GLU N N 62 119.457 120.085 -0.628 1
1 523 . 2 1 1 A 63 63 PHE H H 63 8.539 9.645 -1.106 1
1 524 . 2 1 1 A 63 63 PHE HA H 63 4.512 5.009 -0.497 1
1 532 . 2 1 1 A 63 63 PHE N N 63 121.301 122.523 -1.222 1
1 533 . 2 1 1 A 64 64 TYR H H 64 9.648 9.104 0.544 1
1 534 . 2 1 1 A 64 64 TYR HA H 64 4.839 5.060 -0.221 1
1 541 . 2 1 1 A 64 64 TYR N N 64 119.292 120.462 -1.170 1
1 542 . 2 1 1 A 65 65 LEU H H 65 9.244 9.422 -0.178 1
1 543 . 2 1 1 A 65 65 LEU HA H 65 5.308 5.304 0.004 1
1 553 . 2 1 1 A 65 65 LEU N N 65 125.959 126.174 -0.215 1
1 554 . 2 1 1 A 66 66 SER H H 66 9.446 8.961 0.485 1
1 555 . 2 1 1 A 66 66 SER HA H 66 5.096 5.196 -0.100 1
1 558 . 2 1 1 A 66 66 SER N N 66 121.031 121.947 -0.916 1
1 559 . 2 1 1 A 67 67 ASP H H 67 9.348 9.745 -0.397 1
1 560 . 2 1 1 A 67 67 ASP HA H 67 5.459 4.937 0.522 1
1 563 . 2 1 1 A 67 67 ASP N N 67 125.532 125.171 0.361 1
1 564 . 2 1 1 A 68 68 CYS H H 68 8.355 8.329 0.026 1
1 565 . 2 1 1 A 68 68 CYS HA H 68 5.131 5.556 -0.425 1
1 568 . 2 1 1 A 68 68 CYS N N 68 118.606 121.394 -2.788 1
1 569 . 2 1 1 A 69 69 ASN H H 69 8.586 8.867 -0.281 1
1 570 . 2 1 1 A 69 69 ASN HA H 69 5.471 5.102 0.369 1
1 575 . 2 1 1 A 69 69 ASN N N 69 121.731 124.188 -2.457 1
1 577 . 2 1 1 A 70 70 VAL H H 70 9.041 8.360 0.681 1
1 578 . 2 1 1 A 70 70 VAL HA H 70 3.446 4.364 -0.918 1
1 586 . 2 1 1 A 70 70 VAL N N 70 128.654 127.325 1.329 1
1 587 . 2 1 1 A 71 71 THR H H 71 8.073 8.434 -0.361 1
1 588 . 2 1 1 A 71 71 THR HA H 71 4.562 4.829 -0.267 1
1 593 . 2 1 1 A 71 71 THR N N 71 116.683 117.718 -1.035 1
1 594 . 2 1 1 A 72 72 SER H H 72 8.060 8.772 -0.712 1
1 595 . 2 1 1 A 72 72 SER HA H 72 4.102 4.245 -0.143 1
1 598 . 2 1 1 A 73 73 ARG H H 73 7.728 7.630 0.098 1
1 599 . 2 1 1 A 73 73 ARG HA H 73 4.577 4.512 0.065 1
1 607 . 2 1 1 A 73 73 ARG N N 73 124.362 120.150 4.212 1
1 608 . 2 1 1 A 74 74 PRO HA H 74 3.845 4.290 -0.445 1
1 615 . 2 1 1 A 75 75 CYS H H 75 8.594 8.796 -0.202 1
1 616 . 2 1 1 A 75 75 CYS HA H 75 4.113 4.452 -0.339 1
1 619 . 2 1 1 A 75 75 CYS N N 75 120.291 120.653 -0.362 1
1 620 . 2 1 1 A 76 76 LYS H H 76 7.041 7.656 -0.615 1
1 621 . 2 1 1 A 76 76 LYS HA H 76 4.745 4.787 -0.042 1
1 628 . 2 1 1 A 76 76 LYS N N 76 116.469 120.854 -4.385 1
1 629 . 2 1 1 A 77 77 TYR H H 77 9.907 9.078 0.829 1
1 630 . 2 1 1 A 77 77 TYR HA H 77 4.301 5.306 -1.005 1
1 637 . 2 1 1 A 77 77 TYR N N 77 123.774 119.382 4.392 1
1 638 . 2 1 1 A 78 78 LYS H H 78 8.852 8.764 0.088 1
1 639 . 2 1 1 A 78 78 LYS HA H 78 4.529 5.085 -0.556 1
1 651 . 2 1 1 A 78 78 LYS N N 78 120.664 118.696 1.968 1
1 652 . 2 1 1 A 79 79 LEU H H 79 8.392 8.498 -0.106 1
1 653 . 2 1 1 A 79 79 LEU HA H 79 5.259 4.880 0.379 1
1 663 . 2 1 1 A 79 79 LEU N N 79 126.842 123.866 2.976 1
1 664 . 2 1 1 A 80 80 LYS H H 80 9.300 8.855 0.445 1
1 665 . 2 1 1 A 80 80 LYS HA H 80 4.745 5.153 -0.408 1
1 672 . 2 1 1 A 80 80 LYS N N 80 128.617 126.503 2.114 1
1 673 . 2 1 1 A 81 81 LYS H H 81 9.242 8.921 0.321 1
1 674 . 2 1 1 A 81 81 LYS HA H 81 5.159 5.065 0.094 1
1 683 . 2 1 1 A 81 81 LYS N N 81 130.142 128.123 2.019 1
1 684 . 2 1 1 A 82 82 SER H H 82 8.828 9.430 -0.602 1
1 685 . 2 1 1 A 82 82 SER HA H 82 4.753 5.407 -0.654 1
1 688 . 2 1 1 A 82 82 SER N N 82 117.009 121.242 -4.233 1
1 689 . 2 1 1 A 83 83 THR H H 83 8.402 8.864 -0.462 1
1 690 . 2 1 1 A 83 83 THR HA H 83 5.374 5.820 -0.446 1
1 695 . 2 1 1 A 83 83 THR N N 83 115.259 117.596 -2.337 1
1 696 . 2 1 1 A 84 84 ASN H H 84 9.053 8.761 0.292 1
1 697 . 2 1 1 A 84 84 ASN HA H 84 4.863 5.267 -0.404 1
1 702 . 2 1 1 A 84 84 ASN N N 84 121.758 123.443 -1.685 1
1 704 . 2 1 1 A 85 85 LYS H H 85 8.837 8.384 0.453 1
1 705 . 2 1 1 A 85 85 LYS HA H 85 4.401 4.818 -0.417 1
1 712 . 2 1 1 A 85 85 LYS N N 85 120.865 118.761 2.104 1
1 713 . 2 1 1 A 86 86 PHE H H 86 7.830 8.609 -0.779 1
1 714 . 2 1 1 A 86 86 PHE HA H 86 4.944 5.453 -0.509 1
1 722 . 2 1 1 A 86 86 PHE N N 86 114.090 116.506 -2.416 1
1 723 . 2 1 1 A 87 87 ALA H H 87 8.702 8.706 -0.004 1
1 724 . 2 1 1 A 87 87 ALA HA H 87 5.715 5.598 0.117 1
1 728 . 2 1 1 A 87 87 ALA N N 87 121.161 122.225 -1.064 1
1 729 . 2 1 1 A 88 88 VAL H H 88 8.472 8.992 -0.520 1
1 730 . 2 1 1 A 88 88 VAL HA H 88 4.918 4.909 0.009 1
1 738 . 2 1 1 A 88 88 VAL N N 88 112.187 116.928 -4.741 1
1 739 . 2 1 1 A 89 89 THR H H 89 8.469 8.790 -0.321 1
1 740 . 2 1 1 A 89 89 THR HA H 89 4.760 4.737 0.023 1
1 745 . 2 1 1 A 89 89 THR N N 89 118.002 118.347 -0.345 1
1 746 . 2 1 1 A 90 90 CYS H H 90 9.106 8.712 0.394 1
1 747 . 2 1 1 A 90 90 CYS HA H 90 5.049 5.759 -0.710 1
1 750 . 2 1 1 A 90 90 CYS N N 90 126.735 125.584 1.151 1
1 751 . 2 1 1 A 91 91 GLU H H 91 8.687 8.826 -0.139 1
1 752 . 2 1 1 A 91 91 GLU HA H 91 4.079 4.544 -0.465 1
1 757 . 2 1 1 A 91 91 GLU N N 91 118.639 122.271 -3.632 1
1 758 . 2 1 1 A 92 92 ASN H H 92 10.229 9.741 0.488 1
1 759 . 2 1 1 A 92 92 ASN HA H 92 4.237 4.387 -0.150 1
1 764 . 2 1 1 A 92 92 ASN N N 92 126.427 126.279 0.148 1
1 766 . 2 1 1 A 93 93 GLN H H 93 8.746 8.744 0.002 1
1 767 . 2 1 1 A 93 93 GLN HA H 93 3.939 4.058 -0.119 1
1 774 . 2 1 1 A 93 93 GLN N N 93 105.324 109.039 -3.715 1
1 776 . 2 1 1 A 94 94 ALA H H 94 7.487 7.477 0.010 1
1 777 . 2 1 1 A 94 94 ALA HA H 94 4.313 4.555 -0.242 1
1 781 . 2 1 1 A 94 94 ALA N N 94 118.760 119.252 -0.492 1
1 782 . 2 1 1 A 95 95 PRO HA H 95 5.061 4.669 0.392 1
1 789 . 2 1 1 A 96 96 VAL H H 96 8.499 8.408 0.091 1
1 790 . 2 1 1 A 96 96 VAL HA H 96 4.443 4.200 0.243 1
1 798 . 2 1 1 A 96 96 VAL N N 96 108.711 119.091 -10.380 1
1 799 . 2 1 1 A 97 97 HIS H H 97 7.326 7.243 0.083 1
1 800 . 2 1 1 A 97 97 HIS HA H 97 5.400 4.944 0.456 1
1 805 . 2 1 1 A 97 97 HIS N N 97 116.780 121.031 -4.251 1
1 806 . 2 1 1 A 98 98 PHE H H 98 8.120 8.551 -0.431 1
1 807 . 2 1 1 A 98 98 PHE HA H 98 4.430 4.775 -0.345 1
1 815 . 2 1 1 A 99 99 VAL H H 99 8.208 8.674 -0.466 1
1 816 . 2 1 1 A 99 99 VAL HA H 99 3.829 3.865 -0.036 1
1 824 . 2 1 1 A 99 99 VAL N N 99 129.253 127.179 2.074 1
1 825 . 2 1 1 A 100 100 GLY H H 100 6.578 6.180 0.398 1
1 826 . 2 1 1 A 100 100 GLY HA2 H 100 4.212 3.797 0.415 1
1 827 . 2 1 1 A 100 100 GLY HA3 H 100 3.921 3.879 0.042 1
1 828 . 2 1 1 A 100 100 GLY N N 100 104.609 105.476 -0.867 1
1 829 . 2 1 1 A 101 101 VAL H H 101 8.454 8.585 -0.131 1
1 830 . 2 1 1 A 101 101 VAL HA H 101 4.371 4.836 -0.465 1
1 838 . 2 1 1 A 101 101 VAL N N 101 116.884 116.735 0.149 1
1 839 . 2 1 1 A 102 102 GLY H H 102 8.333 8.419 -0.086 1
1 840 . 2 1 1 A 102 102 GLY HA2 H 102 3.945 4.163 -0.218 1
1 841 . 2 1 1 A 102 102 GLY HA3 H 102 3.641 4.180 -0.539 1
1 842 . 2 1 1 A 102 102 GLY N N 102 112.591 111.899 0.692 1
1 843 . 2 1 1 A 103 103 SER H H 103 7.904 8.898 -0.994 1
1 844 . 2 1 1 A 103 103 SER HA H 103 4.322 5.042 -0.720 1
1 847 . 2 1 1 A 103 103 SER N N 103 114.061 118.547 -4.486 1
1 13 . 3 1 1 A 3 3 TRP H H 3 9.300 8.966 0.334 1
1 14 . 3 1 1 A 3 3 TRP HA H 3 5.398 4.374 1.024 1
1 23 . 3 1 1 A 3 3 TRP N N 3 123.555 121.142 2.413 1
1 25 . 3 1 1 A 4 4 LEU H H 4 8.275 7.949 0.326 1
1 26 . 3 1 1 A 4 4 LEU HA H 4 3.677 3.590 0.087 1
1 36 . 3 1 1 A 4 4 LEU N N 4 120.894 119.646 1.248 1
1 37 . 3 1 1 A 5 5 THR H H 5 8.719 8.847 -0.128 1
1 38 . 3 1 1 A 5 5 THR HA H 5 3.799 3.927 -0.128 1
1 43 . 3 1 1 A 5 5 THR N N 5 117.567 115.357 2.210 1
1 44 . 3 1 1 A 6 6 PHE H H 6 8.735 8.185 0.550 1
1 45 . 3 1 1 A 6 6 PHE HA H 6 4.139 4.074 0.065 1
1 53 . 3 1 1 A 6 6 PHE N N 6 122.982 121.702 1.280 1
1 54 . 3 1 1 A 7 7 GLN H H 7 8.053 8.114 -0.061 1
1 55 . 3 1 1 A 7 7 GLN HA H 7 3.456 3.196 0.260 1
1 62 . 3 1 1 A 7 7 GLN N N 7 117.062 118.315 -1.253 1
1 64 . 3 1 1 A 8 8 LYS H H 8 7.366 7.674 -0.308 1
1 65 . 3 1 1 A 8 8 LYS HA H 8 3.845 4.038 -0.193 1
1 77 . 3 1 1 A 8 8 LYS N N 8 117.944 120.511 -2.567 1
1 78 . 3 1 1 A 9 9 LYS H H 9 7.996 7.665 0.331 1
1 79 . 3 1 1 A 9 9 LYS HA H 9 3.969 4.107 -0.138 1
1 86 . 3 1 1 A 9 9 LYS N N 9 115.014 118.918 -3.904 1
1 87 . 3 1 1 A 10 10 HIS H H 10 7.785 8.165 -0.380 1
1 88 . 3 1 1 A 10 10 HIS HA H 10 4.536 4.603 -0.067 1
1 93 . 3 1 1 A 10 10 HIS N N 10 107.185 117.051 -9.866 1
1 94 . 3 1 1 A 11 11 ILE H H 11 8.179 6.919 1.260 1
1 95 . 3 1 1 A 11 11 ILE HA H 11 5.064 4.039 1.025 1
1 105 . 3 1 1 A 11 11 ILE N N 11 121.378 121.078 0.300 1
1 106 . 3 1 1 A 12 12 THR H H 12 8.546 8.724 -0.178 1
1 107 . 3 1 1 A 12 12 THR HA H 12 5.002 4.864 0.138 1
1 112 . 3 1 1 A 12 12 THR N N 12 120.322 119.383 0.939 1
1 113 . 3 1 1 A 13 13 ASN H H 13 8.263 8.743 -0.480 1
1 114 . 3 1 1 A 13 13 ASN HA H 13 4.827 4.892 -0.065 1
1 119 . 3 1 1 A 13 13 ASN N N 13 123.517 123.551 -0.034 1
1 121 . 3 1 1 A 14 14 THR H H 14 7.878 7.281 0.597 1
1 122 . 3 1 1 A 14 14 THR HA H 14 4.395 4.570 -0.175 1
1 127 . 3 1 1 A 14 14 THR N N 14 113.563 112.957 0.606 1
1 128 . 3 1 1 A 15 15 ARG H H 15 8.545 8.552 -0.007 1
1 129 . 3 1 1 A 15 15 ARG HA H 15 3.448 3.835 -0.387 1
1 137 . 3 1 1 A 15 15 ARG N N 15 126.331 127.817 -1.486 1
1 138 . 3 1 1 A 16 16 ASP H H 16 7.846 7.598 0.248 1
1 139 . 3 1 1 A 16 16 ASP HA H 16 4.512 4.718 -0.206 1
1 142 . 3 1 1 A 16 16 ASP N N 16 121.932 118.654 3.278 1
1 143 . 3 1 1 A 17 17 VAL H H 17 6.499 7.510 -1.011 1
1 144 . 3 1 1 A 17 17 VAL HA H 17 2.954 4.082 -1.128 1
1 152 . 3 1 1 A 17 17 VAL N N 17 121.499 121.028 0.471 1
1 153 . 3 1 1 A 18 18 ASP H H 18 8.566 8.812 -0.246 1
1 154 . 3 1 1 A 18 18 ASP HA H 18 4.524 4.653 -0.129 1
1 157 . 3 1 1 A 18 18 ASP N N 18 127.059 128.272 -1.213 1
1 158 . 3 1 1 A 19 19 CYS H H 19 7.838 8.477 -0.639 1
1 159 . 3 1 1 A 19 19 CYS HA H 19 3.556 4.168 -0.612 1
1 162 . 3 1 1 A 19 19 CYS N N 19 120.870 122.494 -1.624 1
1 163 . 3 1 1 A 20 20 ASP H H 20 8.819 8.387 0.432 1
1 164 . 3 1 1 A 20 20 ASP HA H 20 4.298 4.423 -0.125 1
1 167 . 3 1 1 A 20 20 ASP N N 20 118.657 120.995 -2.338 1
1 168 . 3 1 1 A 21 21 ASN H H 21 6.997 7.660 -0.663 1
1 169 . 3 1 1 A 21 21 ASN HA H 21 4.589 4.647 -0.058 1
1 174 . 3 1 1 A 21 21 ASN N N 21 114.544 115.378 -0.834 1
1 176 . 3 1 1 A 22 22 ILE H H 22 7.844 8.142 -0.298 1
1 177 . 3 1 1 A 22 22 ILE HA H 22 3.957 3.627 0.330 1
1 187 . 3 1 1 A 22 22 ILE N N 22 119.569 120.649 -1.080 1
1 188 . 3 1 1 A 23 23 MET H H 23 8.494 7.759 0.735 1
1 189 . 3 1 1 A 23 23 MET HA H 23 4.138 4.226 -0.088 1
1 194 . 3 1 1 A 23 23 MET N N 23 117.955 119.376 -1.421 1
1 195 . 3 1 1 A 24 24 SER H H 24 7.101 7.555 -0.454 1
1 196 . 3 1 1 A 24 24 SER HA H 24 4.114 4.505 -0.391 1
1 199 . 3 1 1 A 24 24 SER N N 24 108.759 114.189 -5.430 1
1 200 . 3 1 1 A 25 25 THR H H 25 7.455 7.796 -0.341 1
1 201 . 3 1 1 A 25 25 THR HA H 25 4.553 4.428 0.125 1
1 206 . 3 1 1 A 25 25 THR N N 25 113.003 115.298 -2.295 1
1 207 . 3 1 1 A 26 26 ASN H H 26 7.468 9.169 -1.701 1
1 208 . 3 1 1 A 26 26 ASN HA H 26 4.070 4.541 -0.471 1
1 213 . 3 1 1 A 26 26 ASN N N 26 117.889 125.666 -7.777 1
1 215 . 3 1 1 A 27 27 LEU H H 27 7.379 8.039 -0.660 1
1 216 . 3 1 1 A 27 27 LEU HA H 27 3.763 4.166 -0.403 1
1 226 . 3 1 1 A 27 27 LEU N N 27 117.538 121.207 -3.669 1
1 227 . 3 1 1 A 28 28 PHE H H 28 6.693 8.125 -1.432 1
1 228 . 3 1 1 A 28 28 PHE HA H 28 4.334 4.371 -0.037 1
1 236 . 3 1 1 A 28 28 PHE N N 28 113.427 114.069 -0.642 1
1 237 . 3 1 1 A 29 29 HIS H H 29 8.798 9.213 -0.415 1
1 238 . 3 1 1 A 29 29 HIS HA H 29 4.249 4.380 -0.131 1
1 243 . 3 1 1 A 29 29 HIS N N 29 114.076 115.796 -1.720 1
1 244 . 3 1 1 A 30 30 CYS H H 30 9.153 8.779 0.374 1
1 245 . 3 1 1 A 30 30 CYS HA H 30 4.512 4.201 0.311 1
1 248 . 3 1 1 A 30 30 CYS N N 30 109.137 115.982 -6.845 1
1 249 . 3 1 1 A 31 31 LYS H H 31 7.521 7.726 -0.205 1
1 250 . 3 1 1 A 31 31 LYS HA H 31 4.334 4.467 -0.133 1
1 262 . 3 1 1 A 31 31 LYS N N 31 117.016 117.879 -0.863 1
1 263 . 3 1 1 A 32 32 ASP H H 32 8.496 8.633 -0.137 1
1 264 . 3 1 1 A 32 32 ASP HA H 32 4.139 4.819 -0.680 1
1 267 . 3 1 1 A 32 32 ASP N N 32 120.267 120.624 -0.357 1
1 268 . 3 1 1 A 33 33 LYS H H 33 7.519 7.791 -0.272 1
1 269 . 3 1 1 A 33 33 LYS HA H 33 5.563 5.563 0.000 1
1 281 . 3 1 1 A 33 33 LYS N N 33 114.737 113.525 1.212 1
1 282 . 3 1 1 A 34 34 ASN H H 34 7.794 8.354 -0.560 1
1 283 . 3 1 1 A 34 34 ASN HA H 34 4.477 5.097 -0.620 1
1 288 . 3 1 1 A 34 34 ASN N N 34 116.413 119.252 -2.839 1
1 290 . 3 1 1 A 35 35 THR H H 35 7.819 8.807 -0.988 1
1 291 . 3 1 1 A 35 35 THR HA H 35 4.454 4.400 0.054 1
1 296 . 3 1 1 A 35 35 THR N N 35 122.595 121.859 0.736 1
1 297 . 3 1 1 A 36 36 PHE H H 36 9.192 7.322 1.870 1
1 298 . 3 1 1 A 36 36 PHE HA H 36 4.465 4.623 -0.158 1
1 306 . 3 1 1 A 36 36 PHE N N 36 125.174 123.277 1.897 1
1 307 . 3 1 1 A 37 37 ILE H H 37 9.389 8.213 1.176 1
1 308 . 3 1 1 A 37 37 ILE HA H 37 4.197 4.398 -0.201 1
1 318 . 3 1 1 A 37 37 ILE N N 37 122.998 122.976 0.022 1
1 319 . 3 1 1 A 38 38 TYR H H 38 8.959 9.131 -0.172 1
1 320 . 3 1 1 A 38 38 TYR HA H 38 5.341 5.516 -0.175 1
1 327 . 3 1 1 A 38 38 TYR N N 38 129.369 129.789 -0.420 1
1 328 . 3 1 1 A 39 39 SER H H 39 7.608 8.620 -1.012 1
1 329 . 3 1 1 A 39 39 SER HA H 39 4.298 4.728 -0.430 1
1 332 . 3 1 1 A 39 39 SER N N 39 121.061 122.155 -1.094 1
1 333 . 3 1 1 A 40 40 ARG H H 40 8.441 8.518 -0.077 1
1 334 . 3 1 1 A 40 40 ARG HA H 40 4.633 4.495 0.138 1
1 342 . 3 1 1 A 40 40 ARG N N 40 123.846 123.225 0.621 1
1 343 . 3 1 1 A 41 41 PRO HA H 41 3.881 4.468 -0.587 1
1 350 . 3 1 1 A 42 42 GLU H H 42 9.361 8.570 0.791 1
1 351 . 3 1 1 A 42 42 GLU HA H 42 4.103 4.243 -0.140 1
1 356 . 3 1 1 A 42 42 GLU N N 42 118.394 118.490 -0.096 1
1 357 . 3 1 1 A 43 43 PRO HA H 43 4.371 4.400 -0.029 1
1 364 . 3 1 1 A 44 44 VAL H H 44 6.810 7.521 -0.711 1
1 365 . 3 1 1 A 44 44 VAL HA H 44 3.823 3.839 -0.016 1
1 373 . 3 1 1 A 44 44 VAL N N 44 116.005 116.406 -0.401 1
1 374 . 3 1 1 A 45 45 LYS H H 45 8.399 8.098 0.301 1
1 375 . 3 1 1 A 45 45 LYS HA H 45 2.748 4.007 -1.259 1
1 382 . 3 1 1 A 45 45 LYS N N 45 121.531 120.713 0.818 1
1 383 . 3 1 1 A 46 46 ALA H H 46 7.601 8.487 -0.886 1
1 384 . 3 1 1 A 46 46 ALA HA H 46 3.823 4.068 -0.245 1
1 388 . 3 1 1 A 46 46 ALA N N 46 115.333 121.269 -5.936 1
1 389 . 3 1 1 A 47 47 ILE H H 47 7.345 7.536 -0.191 1
1 390 . 3 1 1 A 47 47 ILE HA H 47 3.592 3.611 -0.019 1
1 400 . 3 1 1 A 47 47 ILE N N 47 119.605 118.741 0.864 1
1 401 . 3 1 1 A 48 48 CYS H H 48 7.094 7.677 -0.583 1
1 402 . 3 1 1 A 48 48 CYS HA H 48 4.589 4.715 -0.126 1
1 405 . 3 1 1 A 48 48 CYS N N 48 111.804 115.531 -3.727 1
1 406 . 3 1 1 A 49 49 LYS H H 49 7.223 7.422 -0.199 1
1 407 . 3 1 1 A 49 49 LYS HA H 49 3.787 3.862 -0.075 1
1 416 . 3 1 1 A 49 49 LYS N N 49 123.849 123.072 0.777 1
1 417 . 3 1 1 A 50 50 GLY H H 50 9.126 9.352 -0.226 1
1 418 . 3 1 1 A 50 50 GLY HA2 H 50 4.018 3.906 0.112 1
1 419 . 3 1 1 A 50 50 GLY HA3 H 50 3.398 3.908 -0.510 1
1 420 . 3 1 1 A 50 50 GLY N N 50 114.134 114.658 -0.524 1
1 421 . 3 1 1 A 51 51 ILE H H 51 7.759 7.958 -0.199 1
1 422 . 3 1 1 A 51 51 ILE HA H 51 3.904 4.168 -0.264 1
1 432 . 3 1 1 A 51 51 ILE N N 51 122.336 122.333 0.003 1
1 433 . 3 1 1 A 52 52 ILE H H 52 8.204 8.764 -0.560 1
1 434 . 3 1 1 A 52 52 ILE HA H 52 3.706 4.269 -0.563 1
1 444 . 3 1 1 A 52 52 ILE N N 52 128.010 129.032 -1.022 1
1 445 . 3 1 1 A 53 53 ALA H H 53 7.722 7.703 0.019 1
1 446 . 3 1 1 A 53 53 ALA HA H 53 4.220 4.342 -0.122 1
1 450 . 3 1 1 A 53 53 ALA N N 53 123.517 125.374 -1.857 1
1 451 . 3 1 1 A 54 54 SER H H 54 7.929 8.637 -0.708 1
1 452 . 3 1 1 A 54 54 SER HA H 54 4.885 4.729 0.156 1
1 455 . 3 1 1 A 54 54 SER N N 54 112.613 118.547 -5.934 1
1 456 . 3 1 1 A 55 55 LYS H H 55 8.361 8.158 0.203 1
1 457 . 3 1 1 A 55 55 LYS HA H 55 4.261 4.992 -0.731 1
1 466 . 3 1 1 A 55 55 LYS N N 55 126.198 122.368 3.830 1
1 467 . 3 1 1 A 56 56 ASN H H 56 8.677 8.774 -0.097 1
1 468 . 3 1 1 A 56 56 ASN HA H 56 5.629 5.654 -0.025 1
1 473 . 3 1 1 A 56 56 ASN N N 56 125.474 118.240 7.234 1
1 475 . 3 1 1 A 57 57 VAL H H 57 9.071 8.607 0.464 1
1 476 . 3 1 1 A 57 57 VAL HA H 57 4.102 4.625 -0.523 1
1 484 . 3 1 1 A 57 57 VAL N N 57 122.842 121.390 1.452 1
1 485 . 3 1 1 A 58 58 LEU H H 58 8.003 8.528 -0.525 1
1 486 . 3 1 1 A 58 58 LEU HA H 58 4.565 4.781 -0.216 1
1 496 . 3 1 1 A 58 58 LEU N N 58 126.427 127.361 -0.934 1
1 497 . 3 1 1 A 59 59 THR H H 59 8.729 8.506 0.223 1
1 498 . 3 1 1 A 59 59 THR HA H 59 4.018 4.051 -0.033 1
1 503 . 3 1 1 A 59 59 THR N N 59 117.852 118.230 -0.378 1
1 504 . 3 1 1 A 60 60 THR H H 60 8.464 8.960 -0.496 1
1 505 . 3 1 1 A 60 60 THR HA H 60 4.152 4.471 -0.319 1
1 510 . 3 1 1 A 60 60 THR N N 60 110.875 120.679 -9.804 1
1 511 . 3 1 1 A 61 61 SER H H 61 7.518 7.776 -0.258 1
1 512 . 3 1 1 A 61 61 SER HA H 61 4.553 4.956 -0.403 1
1 515 . 3 1 1 A 61 61 SER N N 61 114.743 116.756 -2.013 1
1 516 . 3 1 1 A 62 62 GLU H H 62 8.363 8.335 0.028 1
1 517 . 3 1 1 A 62 62 GLU HA H 62 4.045 5.026 -0.981 1
1 522 . 3 1 1 A 62 62 GLU N N 62 119.457 121.085 -1.628 1
1 523 . 3 1 1 A 63 63 PHE H H 63 8.539 9.490 -0.951 1
1 524 . 3 1 1 A 63 63 PHE HA H 63 4.512 4.840 -0.328 1
1 532 . 3 1 1 A 63 63 PHE N N 63 121.301 122.339 -1.038 1
1 533 . 3 1 1 A 64 64 TYR H H 64 9.648 9.063 0.585 1
1 534 . 3 1 1 A 64 64 TYR HA H 64 4.839 4.970 -0.131 1
1 541 . 3 1 1 A 64 64 TYR N N 64 119.292 120.379 -1.087 1
1 542 . 3 1 1 A 65 65 LEU H H 65 9.244 9.664 -0.420 1
1 543 . 3 1 1 A 65 65 LEU HA H 65 5.308 5.346 -0.038 1
1 553 . 3 1 1 A 65 65 LEU N N 65 125.959 126.107 -0.148 1
1 554 . 3 1 1 A 66 66 SER H H 66 9.446 8.725 0.721 1
1 555 . 3 1 1 A 66 66 SER HA H 66 5.096 5.162 -0.066 1
1 558 . 3 1 1 A 66 66 SER N N 66 121.031 122.548 -1.517 1
1 559 . 3 1 1 A 67 67 ASP H H 67 9.348 9.669 -0.321 1
1 560 . 3 1 1 A 67 67 ASP HA H 67 5.459 4.709 0.750 1
1 563 . 3 1 1 A 67 67 ASP N N 67 125.532 125.579 -0.047 1
1 564 . 3 1 1 A 68 68 CYS H H 68 8.355 8.340 0.015 1
1 565 . 3 1 1 A 68 68 CYS HA H 68 5.131 5.117 0.014 1
1 568 . 3 1 1 A 68 68 CYS N N 68 118.606 121.193 -2.587 1
1 569 . 3 1 1 A 69 69 ASN H H 69 8.586 8.951 -0.365 1
1 570 . 3 1 1 A 69 69 ASN HA H 69 5.471 5.180 0.291 1
1 575 . 3 1 1 A 69 69 ASN N N 69 121.731 123.615 -1.884 1
1 577 . 3 1 1 A 70 70 VAL H H 70 9.041 8.539 0.502 1
1 578 . 3 1 1 A 70 70 VAL HA H 70 3.446 4.405 -0.959 1
1 586 . 3 1 1 A 70 70 VAL N N 70 128.654 127.235 1.419 1
1 587 . 3 1 1 A 71 71 THR H H 71 8.073 8.433 -0.360 1
1 588 . 3 1 1 A 71 71 THR HA H 71 4.562 4.810 -0.248 1
1 593 . 3 1 1 A 71 71 THR N N 71 116.683 117.804 -1.121 1
1 594 . 3 1 1 A 72 72 SER H H 72 8.060 8.641 -0.581 1
1 595 . 3 1 1 A 72 72 SER HA H 72 4.102 4.261 -0.159 1
1 598 . 3 1 1 A 73 73 ARG H H 73 7.728 7.753 -0.025 1
1 599 . 3 1 1 A 73 73 ARG HA H 73 4.577 4.524 0.053 1
1 607 . 3 1 1 A 73 73 ARG N N 73 124.362 119.450 4.912 1
1 608 . 3 1 1 A 74 74 PRO HA H 74 3.845 4.244 -0.399 1
1 615 . 3 1 1 A 75 75 CYS H H 75 8.594 8.637 -0.043 1
1 616 . 3 1 1 A 75 75 CYS HA H 75 4.113 4.186 -0.073 1
1 619 . 3 1 1 A 75 75 CYS N N 75 120.291 115.086 5.205 1
1 620 . 3 1 1 A 76 76 LYS H H 76 7.041 7.366 -0.325 1
1 621 . 3 1 1 A 76 76 LYS HA H 76 4.745 4.300 0.445 1
1 628 . 3 1 1 A 76 76 LYS N N 76 116.469 119.790 -3.321 1
1 629 . 3 1 1 A 77 77 TYR H H 77 9.907 8.395 1.512 1
1 630 . 3 1 1 A 77 77 TYR HA H 77 4.301 5.301 -1.000 1
1 637 . 3 1 1 A 77 77 TYR N N 77 123.774 119.801 3.973 1
1 638 . 3 1 1 A 78 78 LYS H H 78 8.852 8.838 0.014 1
1 639 . 3 1 1 A 78 78 LYS HA H 78 4.529 5.076 -0.547 1
1 651 . 3 1 1 A 78 78 LYS N N 78 120.664 118.674 1.990 1
1 652 . 3 1 1 A 79 79 LEU H H 79 8.392 8.529 -0.137 1
1 653 . 3 1 1 A 79 79 LEU HA H 79 5.259 4.568 0.691 1
1 663 . 3 1 1 A 79 79 LEU N N 79 126.842 124.142 2.700 1
1 664 . 3 1 1 A 80 80 LYS H H 80 9.300 9.092 0.208 1
1 665 . 3 1 1 A 80 80 LYS HA H 80 4.745 4.883 -0.138 1
1 672 . 3 1 1 A 80 80 LYS N N 80 128.617 126.731 1.886 1
1 673 . 3 1 1 A 81 81 LYS H H 81 9.242 8.890 0.352 1
1 674 . 3 1 1 A 81 81 LYS HA H 81 5.159 4.908 0.251 1
1 683 . 3 1 1 A 81 81 LYS N N 81 130.142 128.460 1.682 1
1 684 . 3 1 1 A 82 82 SER H H 82 8.828 9.719 -0.891 1
1 685 . 3 1 1 A 82 82 SER HA H 82 4.753 5.414 -0.661 1
1 688 . 3 1 1 A 82 82 SER N N 82 117.009 121.909 -4.900 1
1 689 . 3 1 1 A 83 83 THR H H 83 8.402 8.751 -0.349 1
1 690 . 3 1 1 A 83 83 THR HA H 83 5.374 5.559 -0.185 1
1 695 . 3 1 1 A 83 83 THR N N 83 115.259 118.666 -3.407 1
1 696 . 3 1 1 A 84 84 ASN H H 84 9.053 8.714 0.339 1
1 697 . 3 1 1 A 84 84 ASN HA H 84 4.863 5.220 -0.357 1
1 702 . 3 1 1 A 84 84 ASN N N 84 121.758 123.268 -1.510 1
1 704 . 3 1 1 A 85 85 LYS H H 85 8.837 8.414 0.423 1
1 705 . 3 1 1 A 85 85 LYS HA H 85 4.401 4.621 -0.220 1
1 712 . 3 1 1 A 85 85 LYS N N 85 120.865 122.142 -1.277 1
1 713 . 3 1 1 A 86 86 PHE H H 86 7.830 8.686 -0.856 1
1 714 . 3 1 1 A 86 86 PHE HA H 86 4.944 5.256 -0.312 1
1 722 . 3 1 1 A 86 86 PHE N N 86 114.090 116.919 -2.829 1
1 723 . 3 1 1 A 87 87 ALA H H 87 8.702 8.455 0.247 1
1 724 . 3 1 1 A 87 87 ALA HA H 87 5.715 5.501 0.214 1
1 728 . 3 1 1 A 87 87 ALA N N 87 121.161 122.370 -1.209 1
1 729 . 3 1 1 A 88 88 VAL H H 88 8.472 8.657 -0.185 1
1 730 . 3 1 1 A 88 88 VAL HA H 88 4.918 4.904 0.014 1
1 738 . 3 1 1 A 88 88 VAL N N 88 112.187 116.965 -4.778 1
1 739 . 3 1 1 A 89 89 THR H H 89 8.469 8.929 -0.460 1
1 740 . 3 1 1 A 89 89 THR HA H 89 4.760 4.860 -0.100 1
1 745 . 3 1 1 A 89 89 THR N N 89 118.002 118.239 -0.237 1
1 746 . 3 1 1 A 90 90 CYS H H 90 9.106 8.794 0.312 1
1 747 . 3 1 1 A 90 90 CYS HA H 90 5.049 5.745 -0.696 1
1 750 . 3 1 1 A 90 90 CYS N N 90 126.735 125.372 1.363 1
1 751 . 3 1 1 A 91 91 GLU H H 91 8.687 8.774 -0.087 1
1 752 . 3 1 1 A 91 91 GLU HA H 91 4.079 4.536 -0.457 1
1 757 . 3 1 1 A 91 91 GLU N N 91 118.639 122.330 -3.691 1
1 758 . 3 1 1 A 92 92 ASN H H 92 10.229 9.552 0.677 1
1 759 . 3 1 1 A 92 92 ASN HA H 92 4.237 4.387 -0.150 1
1 764 . 3 1 1 A 92 92 ASN N N 92 126.427 126.275 0.152 1
1 766 . 3 1 1 A 93 93 GLN H H 93 8.746 8.671 0.075 1
1 767 . 3 1 1 A 93 93 GLN HA H 93 3.939 3.907 0.032 1
1 774 . 3 1 1 A 93 93 GLN N N 93 105.324 109.177 -3.853 1
1 776 . 3 1 1 A 94 94 ALA H H 94 7.487 7.452 0.035 1
1 777 . 3 1 1 A 94 94 ALA HA H 94 4.313 4.605 -0.292 1
1 781 . 3 1 1 A 94 94 ALA N N 94 118.760 119.020 -0.260 1
1 782 . 3 1 1 A 95 95 PRO HA H 95 5.061 4.766 0.295 1
1 789 . 3 1 1 A 96 96 VAL H H 96 8.499 8.207 0.292 1
1 790 . 3 1 1 A 96 96 VAL HA H 96 4.443 4.306 0.137 1
1 798 . 3 1 1 A 96 96 VAL N N 96 108.711 117.725 -9.014 1
1 799 . 3 1 1 A 97 97 HIS H H 97 7.326 7.538 -0.212 1
1 800 . 3 1 1 A 97 97 HIS HA H 97 5.400 4.953 0.447 1
1 805 . 3 1 1 A 97 97 HIS N N 97 116.780 121.099 -4.319 1
1 806 . 3 1 1 A 98 98 PHE H H 98 8.120 8.566 -0.446 1
1 807 . 3 1 1 A 98 98 PHE HA H 98 4.430 4.769 -0.339 1
1 815 . 3 1 1 A 99 99 VAL H H 99 8.208 8.566 -0.358 1
1 816 . 3 1 1 A 99 99 VAL HA H 99 3.829 3.836 -0.007 1
1 824 . 3 1 1 A 99 99 VAL N N 99 129.253 126.752 2.501 1
1 825 . 3 1 1 A 100 100 GLY H H 100 6.578 5.983 0.595 1
1 826 . 3 1 1 A 100 100 GLY HA2 H 100 4.212 3.689 0.523 1
1 827 . 3 1 1 A 100 100 GLY HA3 H 100 3.921 3.839 0.082 1
1 828 . 3 1 1 A 100 100 GLY N N 100 104.609 105.266 -0.657 1
1 829 . 3 1 1 A 101 101 VAL H H 101 8.454 8.370 0.084 1
1 830 . 3 1 1 A 101 101 VAL HA H 101 4.371 4.308 0.063 1
1 838 . 3 1 1 A 101 101 VAL N N 101 116.884 117.969 -1.085 1
1 839 . 3 1 1 A 102 102 GLY H H 102 8.333 8.517 -0.184 1
1 840 . 3 1 1 A 102 102 GLY HA2 H 102 3.945 4.167 -0.222 1
1 841 . 3 1 1 A 102 102 GLY HA3 H 102 3.641 4.187 -0.546 1
1 842 . 3 1 1 A 102 102 GLY N N 102 112.591 112.930 -0.339 1
1 843 . 3 1 1 A 103 103 SER H H 103 7.904 8.840 -0.936 1
1 844 . 3 1 1 A 103 103 SER HA H 103 4.322 4.832 -0.510 1
1 847 . 3 1 1 A 103 103 SER N N 103 114.061 116.385 -2.324 1
1 13 . 4 1 1 A 3 3 TRP H H 3 9.300 8.987 0.313 1
1 14 . 4 1 1 A 3 3 TRP HA H 3 5.398 4.589 0.809 1
1 23 . 4 1 1 A 3 3 TRP N N 3 123.555 123.848 -0.293 1
1 25 . 4 1 1 A 4 4 LEU H H 4 8.275 8.310 -0.035 1
1 26 . 4 1 1 A 4 4 LEU HA H 4 3.677 3.822 -0.145 1
1 36 . 4 1 1 A 4 4 LEU N N 4 120.894 120.848 0.046 1
1 37 . 4 1 1 A 5 5 THR H H 5 8.719 7.967 0.752 1
1 38 . 4 1 1 A 5 5 THR HA H 5 3.799 4.061 -0.262 1
1 43 . 4 1 1 A 5 5 THR N N 5 117.567 115.385 2.182 1
1 44 . 4 1 1 A 6 6 PHE H H 6 8.735 8.239 0.496 1
1 45 . 4 1 1 A 6 6 PHE HA H 6 4.139 4.180 -0.041 1
1 53 . 4 1 1 A 6 6 PHE N N 6 122.982 122.026 0.956 1
1 54 . 4 1 1 A 7 7 GLN H H 7 8.053 8.224 -0.171 1
1 55 . 4 1 1 A 7 7 GLN HA H 7 3.456 3.358 0.098 1
1 62 . 4 1 1 A 7 7 GLN N N 7 117.062 116.757 0.305 1
1 64 . 4 1 1 A 8 8 LYS H H 8 7.366 7.558 -0.192 1
1 65 . 4 1 1 A 8 8 LYS HA H 8 3.845 3.951 -0.106 1
1 77 . 4 1 1 A 8 8 LYS N N 8 117.944 119.905 -1.961 1
1 78 . 4 1 1 A 9 9 LYS H H 9 7.996 7.643 0.353 1
1 79 . 4 1 1 A 9 9 LYS HA H 9 3.969 3.987 -0.018 1
1 86 . 4 1 1 A 9 9 LYS N N 9 115.014 118.731 -3.717 1
1 87 . 4 1 1 A 10 10 HIS H H 10 7.785 8.160 -0.375 1
1 88 . 4 1 1 A 10 10 HIS HA H 10 4.536 4.735 -0.199 1
1 93 . 4 1 1 A 10 10 HIS N N 10 107.185 114.101 -6.916 1
1 94 . 4 1 1 A 11 11 ILE H H 11 8.179 7.663 0.516 1
1 95 . 4 1 1 A 11 11 ILE HA H 11 5.064 4.683 0.381 1
1 105 . 4 1 1 A 11 11 ILE N N 11 121.378 120.739 0.639 1
1 106 . 4 1 1 A 12 12 THR H H 12 8.546 8.562 -0.016 1
1 107 . 4 1 1 A 12 12 THR HA H 12 5.002 4.984 0.018 1
1 112 . 4 1 1 A 12 12 THR N N 12 120.322 120.401 -0.079 1
1 113 . 4 1 1 A 13 13 ASN H H 13 8.263 8.818 -0.555 1
1 114 . 4 1 1 A 13 13 ASN HA H 13 4.827 4.839 -0.012 1
1 119 . 4 1 1 A 13 13 ASN N N 13 123.517 123.950 -0.433 1
1 121 . 4 1 1 A 14 14 THR H H 14 7.878 7.282 0.596 1
1 122 . 4 1 1 A 14 14 THR HA H 14 4.395 4.363 0.032 1
1 127 . 4 1 1 A 14 14 THR N N 14 113.563 112.799 0.764 1
1 128 . 4 1 1 A 15 15 ARG H H 15 8.545 8.097 0.448 1
1 129 . 4 1 1 A 15 15 ARG HA H 15 3.448 3.972 -0.524 1
1 137 . 4 1 1 A 15 15 ARG N N 15 126.331 125.846 0.485 1
1 138 . 4 1 1 A 16 16 ASP H H 16 7.846 7.122 0.724 1
1 139 . 4 1 1 A 16 16 ASP HA H 16 4.512 4.646 -0.134 1
1 142 . 4 1 1 A 16 16 ASP N N 16 121.932 118.889 3.043 1
1 143 . 4 1 1 A 17 17 VAL H H 17 6.499 7.809 -1.310 1
1 144 . 4 1 1 A 17 17 VAL HA H 17 2.954 4.275 -1.321 1
1 152 . 4 1 1 A 17 17 VAL N N 17 121.499 123.032 -1.533 1
1 153 . 4 1 1 A 18 18 ASP H H 18 8.566 8.517 0.049 1
1 154 . 4 1 1 A 18 18 ASP HA H 18 4.524 4.622 -0.098 1
1 157 . 4 1 1 A 18 18 ASP N N 18 127.059 128.227 -1.168 1
1 158 . 4 1 1 A 19 19 CYS H H 19 7.838 8.302 -0.464 1
1 159 . 4 1 1 A 19 19 CYS HA H 19 3.556 3.999 -0.443 1
1 162 . 4 1 1 A 19 19 CYS N N 19 120.870 124.437 -3.567 1
1 163 . 4 1 1 A 20 20 ASP H H 20 8.819 8.300 0.519 1
1 164 . 4 1 1 A 20 20 ASP HA H 20 4.298 4.527 -0.229 1
1 167 . 4 1 1 A 20 20 ASP N N 20 118.657 121.100 -2.443 1
1 168 . 4 1 1 A 21 21 ASN H H 21 6.997 7.931 -0.934 1
1 169 . 4 1 1 A 21 21 ASN HA H 21 4.589 4.593 -0.004 1
1 174 . 4 1 1 A 21 21 ASN N N 21 114.544 115.225 -0.681 1
1 176 . 4 1 1 A 22 22 ILE H H 22 7.844 7.972 -0.128 1
1 177 . 4 1 1 A 22 22 ILE HA H 22 3.957 3.733 0.224 1
1 187 . 4 1 1 A 22 22 ILE N N 22 119.569 120.539 -0.970 1
1 188 . 4 1 1 A 23 23 MET H H 23 8.494 7.981 0.513 1
1 189 . 4 1 1 A 23 23 MET HA H 23 4.138 4.195 -0.057 1
1 194 . 4 1 1 A 23 23 MET N N 23 117.955 119.685 -1.730 1
1 195 . 4 1 1 A 24 24 SER H H 24 7.101 7.221 -0.120 1
1 196 . 4 1 1 A 24 24 SER HA H 24 4.114 4.386 -0.272 1
1 199 . 4 1 1 A 24 24 SER N N 24 108.759 111.972 -3.213 1
1 200 . 4 1 1 A 25 25 THR H H 25 7.455 7.744 -0.289 1
1 201 . 4 1 1 A 25 25 THR HA H 25 4.553 4.430 0.123 1
1 206 . 4 1 1 A 25 25 THR N N 25 113.003 118.001 -4.998 1
1 207 . 4 1 1 A 26 26 ASN H H 26 7.468 9.032 -1.564 1
1 208 . 4 1 1 A 26 26 ASN HA H 26 4.070 4.552 -0.482 1
1 213 . 4 1 1 A 26 26 ASN N N 26 117.889 124.715 -6.826 1
1 215 . 4 1 1 A 27 27 LEU H H 27 7.379 7.978 -0.599 1
1 216 . 4 1 1 A 27 27 LEU HA H 27 3.763 4.086 -0.323 1
1 226 . 4 1 1 A 27 27 LEU N N 27 117.538 120.673 -3.135 1
1 227 . 4 1 1 A 28 28 PHE H H 28 6.693 7.884 -1.191 1
1 228 . 4 1 1 A 28 28 PHE HA H 28 4.334 4.317 0.017 1
1 236 . 4 1 1 A 28 28 PHE N N 28 113.427 114.229 -0.802 1
1 237 . 4 1 1 A 29 29 HIS H H 29 8.798 9.299 -0.501 1
1 238 . 4 1 1 A 29 29 HIS HA H 29 4.249 4.374 -0.125 1
1 243 . 4 1 1 A 29 29 HIS N N 29 114.076 115.751 -1.675 1
1 244 . 4 1 1 A 30 30 CYS H H 30 9.153 8.972 0.181 1
1 245 . 4 1 1 A 30 30 CYS HA H 30 4.512 4.237 0.275 1
1 248 . 4 1 1 A 30 30 CYS N N 30 109.137 110.674 -1.537 1
1 249 . 4 1 1 A 31 31 LYS H H 31 7.521 7.717 -0.196 1
1 250 . 4 1 1 A 31 31 LYS HA H 31 4.334 4.512 -0.178 1
1 262 . 4 1 1 A 31 31 LYS N N 31 117.016 116.928 0.088 1
1 263 . 4 1 1 A 32 32 ASP H H 32 8.496 8.760 -0.264 1
1 264 . 4 1 1 A 32 32 ASP HA H 32 4.139 4.892 -0.753 1
1 267 . 4 1 1 A 32 32 ASP N N 32 120.267 119.980 0.287 1
1 268 . 4 1 1 A 33 33 LYS H H 33 7.519 7.689 -0.170 1
1 269 . 4 1 1 A 33 33 LYS HA H 33 5.563 5.121 0.442 1
1 281 . 4 1 1 A 33 33 LYS N N 33 114.737 113.115 1.622 1
1 282 . 4 1 1 A 34 34 ASN H H 34 7.794 8.319 -0.525 1
1 283 . 4 1 1 A 34 34 ASN HA H 34 4.477 5.076 -0.599 1
1 288 . 4 1 1 A 34 34 ASN N N 34 116.413 119.436 -3.023 1
1 290 . 4 1 1 A 35 35 THR H H 35 7.819 8.734 -0.915 1
1 291 . 4 1 1 A 35 35 THR HA H 35 4.454 4.284 0.170 1
1 296 . 4 1 1 A 35 35 THR N N 35 122.595 121.643 0.952 1
1 297 . 4 1 1 A 36 36 PHE H H 36 9.192 8.075 1.117 1
1 298 . 4 1 1 A 36 36 PHE HA H 36 4.465 5.524 -1.059 1
1 306 . 4 1 1 A 36 36 PHE N N 36 125.174 122.954 2.220 1
1 307 . 4 1 1 A 37 37 ILE H H 37 9.389 9.649 -0.260 1
1 308 . 4 1 1 A 37 37 ILE HA H 37 4.197 4.547 -0.350 1
1 318 . 4 1 1 A 37 37 ILE N N 37 122.998 122.157 0.841 1
1 319 . 4 1 1 A 38 38 TYR H H 38 8.959 9.400 -0.441 1
1 320 . 4 1 1 A 38 38 TYR HA H 38 5.341 5.649 -0.308 1
1 327 . 4 1 1 A 38 38 TYR N N 38 129.369 129.942 -0.573 1
1 328 . 4 1 1 A 39 39 SER H H 39 7.608 8.254 -0.646 1
1 329 . 4 1 1 A 39 39 SER HA H 39 4.298 4.728 -0.430 1
1 332 . 4 1 1 A 39 39 SER N N 39 121.061 122.154 -1.093 1
1 333 . 4 1 1 A 40 40 ARG H H 40 8.441 8.542 -0.101 1
1 334 . 4 1 1 A 40 40 ARG HA H 40 4.633 4.545 0.088 1
1 342 . 4 1 1 A 40 40 ARG N N 40 123.846 123.139 0.707 1
1 343 . 4 1 1 A 41 41 PRO HA H 41 3.881 4.472 -0.591 1
1 350 . 4 1 1 A 42 42 GLU H H 42 9.361 8.543 0.818 1
1 351 . 4 1 1 A 42 42 GLU HA H 42 4.103 4.242 -0.139 1
1 356 . 4 1 1 A 42 42 GLU N N 42 118.394 118.392 0.002 1
1 357 . 4 1 1 A 43 43 PRO HA H 43 4.371 4.465 -0.094 1
1 364 . 4 1 1 A 44 44 VAL H H 44 6.810 7.339 -0.529 1
1 365 . 4 1 1 A 44 44 VAL HA H 44 3.823 3.790 0.033 1
1 373 . 4 1 1 A 44 44 VAL N N 44 116.005 116.663 -0.658 1
1 374 . 4 1 1 A 45 45 LYS H H 45 8.399 8.229 0.170 1
1 375 . 4 1 1 A 45 45 LYS HA H 45 2.748 3.905 -1.157 1
1 382 . 4 1 1 A 45 45 LYS N N 45 121.531 120.871 0.660 1
1 383 . 4 1 1 A 46 46 ALA H H 46 7.601 8.427 -0.826 1
1 384 . 4 1 1 A 46 46 ALA HA H 46 3.823 4.097 -0.274 1
1 388 . 4 1 1 A 46 46 ALA N N 46 115.333 121.140 -5.807 1
1 389 . 4 1 1 A 47 47 ILE H H 47 7.345 7.664 -0.319 1
1 390 . 4 1 1 A 47 47 ILE HA H 47 3.592 3.589 0.003 1
1 400 . 4 1 1 A 47 47 ILE N N 47 119.605 118.452 1.153 1
1 401 . 4 1 1 A 48 48 CYS H H 48 7.094 7.696 -0.602 1
1 402 . 4 1 1 A 48 48 CYS HA H 48 4.589 4.623 -0.034 1
1 405 . 4 1 1 A 48 48 CYS N N 48 111.804 115.855 -4.051 1
1 406 . 4 1 1 A 49 49 LYS H H 49 7.223 7.390 -0.167 1
1 407 . 4 1 1 A 49 49 LYS HA H 49 3.787 3.972 -0.185 1
1 416 . 4 1 1 A 49 49 LYS N N 49 123.849 123.154 0.695 1
1 417 . 4 1 1 A 50 50 GLY H H 50 9.126 8.939 0.187 1
1 418 . 4 1 1 A 50 50 GLY HA2 H 50 4.018 3.908 0.110 1
1 419 . 4 1 1 A 50 50 GLY HA3 H 50 3.398 3.908 -0.510 1
1 420 . 4 1 1 A 50 50 GLY N N 50 114.134 114.409 -0.275 1
1 421 . 4 1 1 A 51 51 ILE H H 51 7.759 7.968 -0.209 1
1 422 . 4 1 1 A 51 51 ILE HA H 51 3.904 4.178 -0.274 1
1 432 . 4 1 1 A 51 51 ILE N N 51 122.336 122.302 0.034 1
1 433 . 4 1 1 A 52 52 ILE H H 52 8.204 8.766 -0.562 1
1 434 . 4 1 1 A 52 52 ILE HA H 52 3.706 4.264 -0.558 1
1 444 . 4 1 1 A 52 52 ILE N N 52 128.010 129.048 -1.038 1
1 445 . 4 1 1 A 53 53 ALA H H 53 7.722 7.655 0.067 1
1 446 . 4 1 1 A 53 53 ALA HA H 53 4.220 4.303 -0.083 1
1 450 . 4 1 1 A 53 53 ALA N N 53 123.517 124.211 -0.694 1
1 451 . 4 1 1 A 54 54 SER H H 54 7.929 8.741 -0.812 1
1 452 . 4 1 1 A 54 54 SER HA H 54 4.885 4.943 -0.058 1
1 455 . 4 1 1 A 54 54 SER N N 54 112.613 118.399 -5.786 1
1 456 . 4 1 1 A 55 55 LYS H H 55 8.361 8.236 0.125 1
1 457 . 4 1 1 A 55 55 LYS HA H 55 4.261 4.998 -0.737 1
1 466 . 4 1 1 A 55 55 LYS N N 55 126.198 122.691 3.507 1
1 467 . 4 1 1 A 56 56 ASN H H 56 8.677 8.667 0.010 1
1 468 . 4 1 1 A 56 56 ASN HA H 56 5.629 4.942 0.687 1
1 473 . 4 1 1 A 56 56 ASN N N 56 125.474 121.884 3.590 1
1 475 . 4 1 1 A 57 57 VAL H H 57 9.071 8.980 0.091 1
1 476 . 4 1 1 A 57 57 VAL HA H 57 4.102 4.799 -0.697 1
1 484 . 4 1 1 A 57 57 VAL N N 57 122.842 126.155 -3.313 1
1 485 . 4 1 1 A 58 58 LEU H H 58 8.003 8.892 -0.889 1
1 486 . 4 1 1 A 58 58 LEU HA H 58 4.565 5.079 -0.514 1
1 496 . 4 1 1 A 58 58 LEU N N 58 126.427 128.040 -1.613 1
1 497 . 4 1 1 A 59 59 THR H H 59 8.729 9.182 -0.453 1
1 498 . 4 1 1 A 59 59 THR HA H 59 4.018 3.970 0.048 1
1 503 . 4 1 1 A 59 59 THR N N 59 117.852 120.022 -2.170 1
1 504 . 4 1 1 A 60 60 THR H H 60 8.464 8.939 -0.475 1
1 505 . 4 1 1 A 60 60 THR HA H 60 4.152 4.479 -0.327 1
1 510 . 4 1 1 A 60 60 THR N N 60 110.875 121.053 -10.178 1
1 511 . 4 1 1 A 61 61 SER H H 61 7.518 7.921 -0.403 1
1 512 . 4 1 1 A 61 61 SER HA H 61 4.553 4.754 -0.201 1
1 515 . 4 1 1 A 61 61 SER N N 61 114.743 116.280 -1.537 1
1 516 . 4 1 1 A 62 62 GLU H H 62 8.363 8.517 -0.154 1
1 517 . 4 1 1 A 62 62 GLU HA H 62 4.045 5.093 -1.048 1
1 522 . 4 1 1 A 62 62 GLU N N 62 119.457 121.651 -2.194 1
1 523 . 4 1 1 A 63 63 PHE H H 63 8.539 9.696 -1.157 1
1 524 . 4 1 1 A 63 63 PHE HA H 63 4.512 4.771 -0.259 1
1 532 . 4 1 1 A 63 63 PHE N N 63 121.301 122.928 -1.627 1
1 533 . 4 1 1 A 64 64 TYR H H 64 9.648 9.000 0.648 1
1 534 . 4 1 1 A 64 64 TYR HA H 64 4.839 5.026 -0.187 1
1 541 . 4 1 1 A 64 64 TYR N N 64 119.292 120.305 -1.013 1
1 542 . 4 1 1 A 65 65 LEU H H 65 9.244 9.485 -0.241 1
1 543 . 4 1 1 A 65 65 LEU HA H 65 5.308 5.277 0.031 1
1 553 . 4 1 1 A 65 65 LEU N N 65 125.959 126.196 -0.237 1
1 554 . 4 1 1 A 66 66 SER H H 66 9.446 8.901 0.545 1
1 555 . 4 1 1 A 66 66 SER HA H 66 5.096 5.554 -0.458 1
1 558 . 4 1 1 A 66 66 SER N N 66 121.031 122.104 -1.073 1
1 559 . 4 1 1 A 67 67 ASP H H 67 9.348 9.283 0.065 1
1 560 . 4 1 1 A 67 67 ASP HA H 67 5.459 4.829 0.630 1
1 563 . 4 1 1 A 67 67 ASP N N 67 125.532 126.521 -0.989 1
1 564 . 4 1 1 A 68 68 CYS H H 68 8.355 8.790 -0.435 1
1 565 . 4 1 1 A 68 68 CYS HA H 68 5.131 5.322 -0.191 1
1 568 . 4 1 1 A 68 68 CYS N N 68 118.606 120.945 -2.339 1
1 569 . 4 1 1 A 69 69 ASN H H 69 8.586 8.887 -0.301 1
1 570 . 4 1 1 A 69 69 ASN HA H 69 5.471 5.248 0.223 1
1 575 . 4 1 1 A 69 69 ASN N N 69 121.731 124.149 -2.418 1
1 577 . 4 1 1 A 70 70 VAL H H 70 9.041 8.951 0.090 1
1 578 . 4 1 1 A 70 70 VAL HA H 70 3.446 4.379 -0.933 1
1 586 . 4 1 1 A 70 70 VAL N N 70 128.654 127.467 1.187 1
1 587 . 4 1 1 A 71 71 THR H H 71 8.073 8.222 -0.149 1
1 588 . 4 1 1 A 71 71 THR HA H 71 4.562 4.828 -0.266 1
1 593 . 4 1 1 A 71 71 THR N N 71 116.683 117.473 -0.790 1
1 594 . 4 1 1 A 72 72 SER H H 72 8.060 8.860 -0.800 1
1 595 . 4 1 1 A 72 72 SER HA H 72 4.102 4.232 -0.130 1
1 598 . 4 1 1 A 73 73 ARG H H 73 7.728 7.778 -0.050 1
1 599 . 4 1 1 A 73 73 ARG HA H 73 4.577 4.513 0.064 1
1 607 . 4 1 1 A 73 73 ARG N N 73 124.362 121.237 3.125 1
1 608 . 4 1 1 A 74 74 PRO HA H 74 3.845 4.167 -0.322 1
1 615 . 4 1 1 A 75 75 CYS H H 75 8.594 8.567 0.027 1
1 616 . 4 1 1 A 75 75 CYS HA H 75 4.113 4.083 0.030 1
1 619 . 4 1 1 A 75 75 CYS N N 75 120.291 114.813 5.478 1
1 620 . 4 1 1 A 76 76 LYS H H 76 7.041 7.400 -0.359 1
1 621 . 4 1 1 A 76 76 LYS HA H 76 4.745 4.315 0.430 1
1 628 . 4 1 1 A 76 76 LYS N N 76 116.469 119.938 -3.469 1
1 629 . 4 1 1 A 77 77 TYR H H 77 9.907 9.000 0.907 1
1 630 . 4 1 1 A 77 77 TYR HA H 77 4.301 5.267 -0.966 1
1 637 . 4 1 1 A 77 77 TYR N N 77 123.774 121.260 2.514 1
1 638 . 4 1 1 A 78 78 LYS H H 78 8.852 8.375 0.477 1
1 639 . 4 1 1 A 78 78 LYS HA H 78 4.529 4.897 -0.368 1
1 651 . 4 1 1 A 78 78 LYS N N 78 120.664 120.019 0.645 1
1 652 . 4 1 1 A 79 79 LEU H H 79 8.392 8.798 -0.406 1
1 653 . 4 1 1 A 79 79 LEU HA H 79 5.259 4.423 0.836 1
1 663 . 4 1 1 A 79 79 LEU N N 79 126.842 127.247 -0.405 1
1 664 . 4 1 1 A 80 80 LYS H H 80 9.300 9.120 0.180 1
1 665 . 4 1 1 A 80 80 LYS HA H 80 4.745 4.852 -0.107 1
1 672 . 4 1 1 A 80 80 LYS N N 80 128.617 126.091 2.526 1
1 673 . 4 1 1 A 81 81 LYS H H 81 9.242 9.106 0.136 1
1 674 . 4 1 1 A 81 81 LYS HA H 81 5.159 5.026 0.133 1
1 683 . 4 1 1 A 81 81 LYS N N 81 130.142 128.942 1.200 1
1 684 . 4 1 1 A 82 82 SER H H 82 8.828 9.054 -0.226 1
1 685 . 4 1 1 A 82 82 SER HA H 82 4.753 5.293 -0.540 1
1 688 . 4 1 1 A 82 82 SER N N 82 117.009 120.612 -3.603 1
1 689 . 4 1 1 A 83 83 THR H H 83 8.402 8.781 -0.379 1
1 690 . 4 1 1 A 83 83 THR HA H 83 5.374 5.781 -0.407 1
1 695 . 4 1 1 A 83 83 THR N N 83 115.259 116.904 -1.645 1
1 696 . 4 1 1 A 84 84 ASN H H 84 9.053 9.032 0.021 1
1 697 . 4 1 1 A 84 84 ASN HA H 84 4.863 5.330 -0.467 1
1 702 . 4 1 1 A 84 84 ASN N N 84 121.758 122.202 -0.444 1
1 704 . 4 1 1 A 85 85 LYS H H 85 8.837 8.367 0.470 1
1 705 . 4 1 1 A 85 85 LYS HA H 85 4.401 4.741 -0.340 1
1 712 . 4 1 1 A 85 85 LYS N N 85 120.865 118.791 2.074 1
1 713 . 4 1 1 A 86 86 PHE H H 86 7.830 8.505 -0.675 1
1 714 . 4 1 1 A 86 86 PHE HA H 86 4.944 5.426 -0.482 1
1 722 . 4 1 1 A 86 86 PHE N N 86 114.090 116.544 -2.454 1
1 723 . 4 1 1 A 87 87 ALA H H 87 8.702 8.804 -0.102 1
1 724 . 4 1 1 A 87 87 ALA HA H 87 5.715 5.670 0.045 1
1 728 . 4 1 1 A 87 87 ALA N N 87 121.161 121.876 -0.715 1
1 729 . 4 1 1 A 88 88 VAL H H 88 8.472 8.978 -0.506 1
1 730 . 4 1 1 A 88 88 VAL HA H 88 4.918 4.788 0.130 1
1 738 . 4 1 1 A 88 88 VAL N N 88 112.187 117.097 -4.910 1
1 739 . 4 1 1 A 89 89 THR H H 89 8.469 9.048 -0.579 1
1 740 . 4 1 1 A 89 89 THR HA H 89 4.760 4.544 0.216 1
1 745 . 4 1 1 A 89 89 THR N N 89 118.002 119.115 -1.113 1
1 746 . 4 1 1 A 90 90 CYS H H 90 9.106 8.654 0.452 1
1 747 . 4 1 1 A 90 90 CYS HA H 90 5.049 5.883 -0.834 1
1 750 . 4 1 1 A 90 90 CYS N N 90 126.735 124.139 2.596 1
1 751 . 4 1 1 A 91 91 GLU H H 91 8.687 8.771 -0.084 1
1 752 . 4 1 1 A 91 91 GLU HA H 91 4.079 4.585 -0.506 1
1 757 . 4 1 1 A 91 91 GLU N N 91 118.639 122.732 -4.093 1
1 758 . 4 1 1 A 92 92 ASN H H 92 10.229 9.761 0.468 1
1 759 . 4 1 1 A 92 92 ASN HA H 92 4.237 4.383 -0.146 1
1 764 . 4 1 1 A 92 92 ASN N N 92 126.427 125.485 0.942 1
1 766 . 4 1 1 A 93 93 GLN H H 93 8.746 8.649 0.097 1
1 767 . 4 1 1 A 93 93 GLN HA H 93 3.939 3.992 -0.053 1
1 774 . 4 1 1 A 93 93 GLN N N 93 105.324 109.185 -3.861 1
1 776 . 4 1 1 A 94 94 ALA H H 94 7.487 7.168 0.319 1
1 777 . 4 1 1 A 94 94 ALA HA H 94 4.313 4.467 -0.154 1
1 781 . 4 1 1 A 94 94 ALA N N 94 118.760 119.418 -0.658 1
1 782 . 4 1 1 A 95 95 PRO HA H 95 5.061 4.859 0.202 1
1 789 . 4 1 1 A 96 96 VAL H H 96 8.499 8.581 -0.082 1
1 790 . 4 1 1 A 96 96 VAL HA H 96 4.443 4.544 -0.101 1
1 798 . 4 1 1 A 96 96 VAL N N 96 108.711 116.915 -8.204 1
1 799 . 4 1 1 A 97 97 HIS H H 97 7.326 7.101 0.225 1
1 800 . 4 1 1 A 97 97 HIS HA H 97 5.400 5.056 0.344 1
1 805 . 4 1 1 A 97 97 HIS N N 97 116.780 121.114 -4.334 1
1 806 . 4 1 1 A 98 98 PHE H H 98 8.120 8.562 -0.442 1
1 807 . 4 1 1 A 98 98 PHE HA H 98 4.430 4.776 -0.346 1
1 815 . 4 1 1 A 99 99 VAL H H 99 8.208 8.326 -0.118 1
1 816 . 4 1 1 A 99 99 VAL HA H 99 3.829 3.834 -0.005 1
1 824 . 4 1 1 A 99 99 VAL N N 99 129.253 127.606 1.647 1
1 825 . 4 1 1 A 100 100 GLY H H 100 6.578 6.223 0.355 1
1 826 . 4 1 1 A 100 100 GLY HA2 H 100 4.212 3.604 0.608 1
1 827 . 4 1 1 A 100 100 GLY HA3 H 100 3.921 3.811 0.110 1
1 828 . 4 1 1 A 100 100 GLY N N 100 104.609 105.334 -0.725 1
1 829 . 4 1 1 A 101 101 VAL H H 101 8.454 8.490 -0.036 1
1 830 . 4 1 1 A 101 101 VAL HA H 101 4.371 4.591 -0.220 1
1 838 . 4 1 1 A 101 101 VAL N N 101 116.884 116.715 0.169 1
1 839 . 4 1 1 A 102 102 GLY H H 102 8.333 8.589 -0.256 1
1 840 . 4 1 1 A 102 102 GLY HA2 H 102 3.945 4.204 -0.259 1
1 841 . 4 1 1 A 102 102 GLY HA3 H 102 3.641 4.218 -0.577 1
1 842 . 4 1 1 A 102 102 GLY N N 102 112.591 110.578 2.013 1
1 843 . 4 1 1 A 103 103 SER H H 103 7.904 8.634 -0.730 1
1 844 . 4 1 1 A 103 103 SER HA H 103 4.322 4.917 -0.595 1
1 847 . 4 1 1 A 103 103 SER N N 103 114.061 117.796 -3.735 1
1 13 . 5 1 1 A 3 3 TRP H H 3 9.300 9.199 0.101 1
1 14 . 5 1 1 A 3 3 TRP HA H 3 5.398 4.604 0.794 1
1 23 . 5 1 1 A 3 3 TRP N N 3 123.555 128.169 -4.614 1
1 25 . 5 1 1 A 4 4 LEU H H 4 8.275 8.722 -0.447 1
1 26 . 5 1 1 A 4 4 LEU HA H 4 3.677 3.827 -0.150 1
1 36 . 5 1 1 A 4 4 LEU N N 4 120.894 119.596 1.298 1
1 37 . 5 1 1 A 5 5 THR H H 5 8.719 7.736 0.983 1
1 38 . 5 1 1 A 5 5 THR HA H 5 3.799 4.087 -0.288 1
1 43 . 5 1 1 A 5 5 THR N N 5 117.567 115.412 2.155 1
1 44 . 5 1 1 A 6 6 PHE H H 6 8.735 8.547 0.188 1
1 45 . 5 1 1 A 6 6 PHE HA H 6 4.139 4.023 0.116 1
1 53 . 5 1 1 A 6 6 PHE N N 6 122.982 122.220 0.762 1
1 54 . 5 1 1 A 7 7 GLN H H 7 8.053 8.060 -0.007 1
1 55 . 5 1 1 A 7 7 GLN HA H 7 3.456 3.264 0.192 1
1 62 . 5 1 1 A 7 7 GLN N N 7 117.062 116.756 0.306 1
1 64 . 5 1 1 A 8 8 LYS H H 8 7.366 7.531 -0.165 1
1 65 . 5 1 1 A 8 8 LYS HA H 8 3.845 3.945 -0.100 1
1 77 . 5 1 1 A 8 8 LYS N N 8 117.944 119.840 -1.896 1
1 78 . 5 1 1 A 9 9 LYS H H 9 7.996 7.609 0.387 1
1 79 . 5 1 1 A 9 9 LYS HA H 9 3.969 3.960 0.009 1
1 86 . 5 1 1 A 9 9 LYS N N 9 115.014 118.696 -3.682 1
1 87 . 5 1 1 A 10 10 HIS H H 10 7.785 7.969 -0.184 1
1 88 . 5 1 1 A 10 10 HIS HA H 10 4.536 4.769 -0.233 1
1 93 . 5 1 1 A 10 10 HIS N N 10 107.185 114.284 -7.099 1
1 94 . 5 1 1 A 11 11 ILE H H 11 8.179 7.515 0.664 1
1 95 . 5 1 1 A 11 11 ILE HA H 11 5.064 4.834 0.230 1
1 105 . 5 1 1 A 11 11 ILE N N 11 121.378 120.834 0.544 1
1 106 . 5 1 1 A 12 12 THR H H 12 8.546 8.776 -0.230 1
1 107 . 5 1 1 A 12 12 THR HA H 12 5.002 4.867 0.135 1
1 112 . 5 1 1 A 12 12 THR N N 12 120.322 120.989 -0.667 1
1 113 . 5 1 1 A 13 13 ASN H H 13 8.263 8.381 -0.118 1
1 114 . 5 1 1 A 13 13 ASN HA H 13 4.827 5.018 -0.191 1
1 119 . 5 1 1 A 13 13 ASN N N 13 123.517 123.546 -0.029 1
1 121 . 5 1 1 A 14 14 THR H H 14 7.878 7.229 0.649 1
1 122 . 5 1 1 A 14 14 THR HA H 14 4.395 4.433 -0.038 1
1 127 . 5 1 1 A 14 14 THR N N 14 113.563 112.909 0.654 1
1 128 . 5 1 1 A 15 15 ARG H H 15 8.545 8.219 0.326 1
1 129 . 5 1 1 A 15 15 ARG HA H 15 3.448 3.658 -0.210 1
1 137 . 5 1 1 A 15 15 ARG N N 15 126.331 125.946 0.385 1
1 138 . 5 1 1 A 16 16 ASP H H 16 7.846 7.115 0.731 1
1 139 . 5 1 1 A 16 16 ASP HA H 16 4.512 4.697 -0.185 1
1 142 . 5 1 1 A 16 16 ASP N N 16 121.932 116.560 5.372 1
1 143 . 5 1 1 A 17 17 VAL H H 17 6.499 7.402 -0.903 1
1 144 . 5 1 1 A 17 17 VAL HA H 17 2.954 3.965 -1.011 1
1 152 . 5 1 1 A 17 17 VAL N N 17 121.499 120.820 0.679 1
1 153 . 5 1 1 A 18 18 ASP H H 18 8.566 8.558 0.008 1
1 154 . 5 1 1 A 18 18 ASP HA H 18 4.524 4.606 -0.082 1
1 157 . 5 1 1 A 18 18 ASP N N 18 127.059 128.936 -1.877 1
1 158 . 5 1 1 A 19 19 CYS H H 19 7.838 8.559 -0.721 1
1 159 . 5 1 1 A 19 19 CYS HA H 19 3.556 4.219 -0.663 1
1 162 . 5 1 1 A 19 19 CYS N N 19 120.870 124.040 -3.170 1
1 163 . 5 1 1 A 20 20 ASP H H 20 8.819 8.308 0.511 1
1 164 . 5 1 1 A 20 20 ASP HA H 20 4.298 4.496 -0.198 1
1 167 . 5 1 1 A 20 20 ASP N N 20 118.657 121.595 -2.938 1
1 168 . 5 1 1 A 21 21 ASN H H 21 6.997 8.435 -1.438 1
1 169 . 5 1 1 A 21 21 ASN HA H 21 4.589 4.633 -0.044 1
1 174 . 5 1 1 A 21 21 ASN N N 21 114.544 116.465 -1.921 1
1 176 . 5 1 1 A 22 22 ILE H H 22 7.844 8.103 -0.259 1
1 177 . 5 1 1 A 22 22 ILE HA H 22 3.957 3.614 0.343 1
1 187 . 5 1 1 A 22 22 ILE N N 22 119.569 120.768 -1.199 1
1 188 . 5 1 1 A 23 23 MET H H 23 8.494 7.786 0.708 1
1 189 . 5 1 1 A 23 23 MET HA H 23 4.138 4.229 -0.091 1
1 194 . 5 1 1 A 23 23 MET N N 23 117.955 119.399 -1.444 1
1 195 . 5 1 1 A 24 24 SER H H 24 7.101 7.933 -0.832 1
1 196 . 5 1 1 A 24 24 SER HA H 24 4.114 4.439 -0.325 1
1 199 . 5 1 1 A 24 24 SER N N 24 108.759 114.254 -5.495 1
1 200 . 5 1 1 A 25 25 THR H H 25 7.455 7.726 -0.271 1
1 201 . 5 1 1 A 25 25 THR HA H 25 4.553 4.396 0.157 1
1 206 . 5 1 1 A 25 25 THR N N 25 113.003 115.881 -2.878 1
1 207 . 5 1 1 A 26 26 ASN H H 26 7.468 8.967 -1.499 1
1 208 . 5 1 1 A 26 26 ASN HA H 26 4.070 4.681 -0.611 1
1 213 . 5 1 1 A 26 26 ASN N N 26 117.889 123.656 -5.767 1
1 215 . 5 1 1 A 27 27 LEU H H 27 7.379 8.060 -0.681 1
1 216 . 5 1 1 A 27 27 LEU HA H 27 3.763 4.158 -0.395 1
1 226 . 5 1 1 A 27 27 LEU N N 27 117.538 122.046 -4.508 1
1 227 . 5 1 1 A 28 28 PHE H H 28 6.693 8.148 -1.455 1
1 228 . 5 1 1 A 28 28 PHE HA H 28 4.334 4.326 0.008 1
1 236 . 5 1 1 A 28 28 PHE N N 28 113.427 114.166 -0.739 1
1 237 . 5 1 1 A 29 29 HIS H H 29 8.798 9.325 -0.527 1
1 238 . 5 1 1 A 29 29 HIS HA H 29 4.249 4.352 -0.103 1
1 243 . 5 1 1 A 29 29 HIS N N 29 114.076 115.841 -1.765 1
1 244 . 5 1 1 A 30 30 CYS H H 30 9.153 8.986 0.167 1
1 245 . 5 1 1 A 30 30 CYS HA H 30 4.512 4.300 0.212 1
1 248 . 5 1 1 A 30 30 CYS N N 30 109.137 116.195 -7.058 1
1 249 . 5 1 1 A 31 31 LYS H H 31 7.521 7.960 -0.439 1
1 250 . 5 1 1 A 31 31 LYS HA H 31 4.334 4.680 -0.346 1
1 262 . 5 1 1 A 31 31 LYS N N 31 117.016 116.964 0.052 1
1 263 . 5 1 1 A 32 32 ASP H H 32 8.496 8.598 -0.102 1
1 264 . 5 1 1 A 32 32 ASP HA H 32 4.139 4.806 -0.667 1
1 267 . 5 1 1 A 32 32 ASP N N 32 120.267 120.515 -0.248 1
1 268 . 5 1 1 A 33 33 LYS H H 33 7.519 7.775 -0.256 1
1 269 . 5 1 1 A 33 33 LYS HA H 33 5.563 5.127 0.436 1
1 281 . 5 1 1 A 33 33 LYS N N 33 114.737 118.098 -3.361 1
1 282 . 5 1 1 A 34 34 ASN H H 34 7.794 8.032 -0.238 1
1 283 . 5 1 1 A 34 34 ASN HA H 34 4.477 4.952 -0.475 1
1 288 . 5 1 1 A 34 34 ASN N N 34 116.413 122.726 -6.313 1
1 290 . 5 1 1 A 35 35 THR H H 35 7.819 8.602 -0.783 1
1 291 . 5 1 1 A 35 35 THR HA H 35 4.454 4.266 0.188 1
1 296 . 5 1 1 A 35 35 THR N N 35 122.595 121.941 0.654 1
1 297 . 5 1 1 A 36 36 PHE H H 36 9.192 7.585 1.607 1
1 298 . 5 1 1 A 36 36 PHE HA H 36 4.465 5.537 -1.072 1
1 306 . 5 1 1 A 36 36 PHE N N 36 125.174 123.789 1.385 1
1 307 . 5 1 1 A 37 37 ILE H H 37 9.389 8.985 0.404 1
1 308 . 5 1 1 A 37 37 ILE HA H 37 4.197 4.486 -0.289 1
1 318 . 5 1 1 A 37 37 ILE N N 37 122.998 122.832 0.166 1
1 319 . 5 1 1 A 38 38 TYR H H 38 8.959 9.267 -0.308 1
1 320 . 5 1 1 A 38 38 TYR HA H 38 5.341 5.757 -0.416 1
1 327 . 5 1 1 A 38 38 TYR N N 38 129.369 129.924 -0.555 1
1 328 . 5 1 1 A 39 39 SER H H 39 7.608 7.994 -0.386 1
1 329 . 5 1 1 A 39 39 SER HA H 39 4.298 4.747 -0.449 1
1 332 . 5 1 1 A 39 39 SER N N 39 121.061 123.649 -2.588 1
1 333 . 5 1 1 A 40 40 ARG H H 40 8.441 8.549 -0.108 1
1 334 . 5 1 1 A 40 40 ARG HA H 40 4.633 4.590 0.043 1
1 342 . 5 1 1 A 40 40 ARG N N 40 123.846 122.069 1.777 1
1 343 . 5 1 1 A 41 41 PRO HA H 41 3.881 4.611 -0.730 1
1 350 . 5 1 1 A 42 42 GLU H H 42 9.361 8.515 0.846 1
1 351 . 5 1 1 A 42 42 GLU HA H 42 4.103 4.216 -0.113 1
1 356 . 5 1 1 A 42 42 GLU N N 42 118.394 118.466 -0.072 1
1 357 . 5 1 1 A 43 43 PRO HA H 43 4.371 4.485 -0.114 1
1 364 . 5 1 1 A 44 44 VAL H H 44 6.810 7.421 -0.611 1
1 365 . 5 1 1 A 44 44 VAL HA H 44 3.823 3.758 0.065 1
1 373 . 5 1 1 A 44 44 VAL N N 44 116.005 116.755 -0.750 1
1 374 . 5 1 1 A 45 45 LYS H H 45 8.399 8.124 0.275 1
1 375 . 5 1 1 A 45 45 LYS HA H 45 2.748 4.018 -1.270 1
1 382 . 5 1 1 A 45 45 LYS N N 45 121.531 120.700 0.831 1
1 383 . 5 1 1 A 46 46 ALA H H 46 7.601 8.433 -0.832 1
1 384 . 5 1 1 A 46 46 ALA HA H 46 3.823 4.058 -0.235 1
1 388 . 5 1 1 A 46 46 ALA N N 46 115.333 121.430 -6.097 1
1 389 . 5 1 1 A 47 47 ILE H H 47 7.345 7.421 -0.076 1
1 390 . 5 1 1 A 47 47 ILE HA H 47 3.592 3.602 -0.010 1
1 400 . 5 1 1 A 47 47 ILE N N 47 119.605 118.303 1.302 1
1 401 . 5 1 1 A 48 48 CYS H H 48 7.094 7.676 -0.582 1
1 402 . 5 1 1 A 48 48 CYS HA H 48 4.589 4.741 -0.152 1
1 405 . 5 1 1 A 48 48 CYS N N 48 111.804 115.505 -3.701 1
1 406 . 5 1 1 A 49 49 LYS H H 49 7.223 7.502 -0.279 1
1 407 . 5 1 1 A 49 49 LYS HA H 49 3.787 3.876 -0.089 1
1 416 . 5 1 1 A 49 49 LYS N N 49 123.849 122.880 0.969 1
1 417 . 5 1 1 A 50 50 GLY H H 50 9.126 8.993 0.133 1
1 418 . 5 1 1 A 50 50 GLY HA2 H 50 4.018 3.914 0.104 1
1 419 . 5 1 1 A 50 50 GLY HA3 H 50 3.398 3.915 -0.517 1
1 420 . 5 1 1 A 50 50 GLY N N 50 114.134 114.674 -0.540 1
1 421 . 5 1 1 A 51 51 ILE H H 51 7.759 8.060 -0.301 1
1 422 . 5 1 1 A 51 51 ILE HA H 51 3.904 4.188 -0.284 1
1 432 . 5 1 1 A 51 51 ILE N N 51 122.336 122.279 0.057 1
1 433 . 5 1 1 A 52 52 ILE H H 52 8.204 8.732 -0.528 1
1 434 . 5 1 1 A 52 52 ILE HA H 52 3.706 4.251 -0.545 1
1 444 . 5 1 1 A 52 52 ILE N N 52 128.010 129.216 -1.206 1
1 445 . 5 1 1 A 53 53 ALA H H 53 7.722 7.629 0.093 1
1 446 . 5 1 1 A 53 53 ALA HA H 53 4.220 4.336 -0.116 1
1 450 . 5 1 1 A 53 53 ALA N N 53 123.517 124.662 -1.145 1
1 451 . 5 1 1 A 54 54 SER H H 54 7.929 8.620 -0.691 1
1 452 . 5 1 1 A 54 54 SER HA H 54 4.885 4.643 0.242 1
1 455 . 5 1 1 A 54 54 SER N N 54 112.613 117.401 -4.788 1
1 456 . 5 1 1 A 55 55 LYS H H 55 8.361 8.895 -0.534 1
1 457 . 5 1 1 A 55 55 LYS HA H 55 4.261 4.904 -0.643 1
1 466 . 5 1 1 A 55 55 LYS N N 55 126.198 126.362 -0.164 1
1 467 . 5 1 1 A 56 56 ASN H H 56 8.677 8.814 -0.137 1
1 468 . 5 1 1 A 56 56 ASN HA H 56 5.629 5.044 0.585 1
1 473 . 5 1 1 A 56 56 ASN N N 56 125.474 121.629 3.845 1
1 475 . 5 1 1 A 57 57 VAL H H 57 9.071 8.965 0.106 1
1 476 . 5 1 1 A 57 57 VAL HA H 57 4.102 4.635 -0.533 1
1 484 . 5 1 1 A 57 57 VAL N N 57 122.842 125.161 -2.319 1
1 485 . 5 1 1 A 58 58 LEU H H 58 8.003 8.758 -0.755 1
1 486 . 5 1 1 A 58 58 LEU HA H 58 4.565 4.995 -0.430 1
1 496 . 5 1 1 A 58 58 LEU N N 58 126.427 128.785 -2.358 1
1 497 . 5 1 1 A 59 59 THR H H 59 8.729 9.096 -0.367 1
1 498 . 5 1 1 A 59 59 THR HA H 59 4.018 4.038 -0.020 1
1 503 . 5 1 1 A 59 59 THR N N 59 117.852 120.909 -3.057 1
1 504 . 5 1 1 A 60 60 THR H H 60 8.464 8.991 -0.527 1
1 505 . 5 1 1 A 60 60 THR HA H 60 4.152 4.467 -0.315 1
1 510 . 5 1 1 A 60 60 THR N N 60 110.875 120.767 -9.892 1
1 511 . 5 1 1 A 61 61 SER H H 61 7.518 7.760 -0.242 1
1 512 . 5 1 1 A 61 61 SER HA H 61 4.553 4.826 -0.273 1
1 515 . 5 1 1 A 61 61 SER N N 61 114.743 117.374 -2.631 1
1 516 . 5 1 1 A 62 62 GLU H H 62 8.363 8.450 -0.087 1
1 517 . 5 1 1 A 62 62 GLU HA H 62 4.045 5.040 -0.995 1
1 522 . 5 1 1 A 62 62 GLU N N 62 119.457 122.459 -3.002 1
1 523 . 5 1 1 A 63 63 PHE H H 63 8.539 9.182 -0.643 1
1 524 . 5 1 1 A 63 63 PHE HA H 63 4.512 4.848 -0.336 1
1 532 . 5 1 1 A 63 63 PHE N N 63 121.301 122.563 -1.262 1
1 533 . 5 1 1 A 64 64 TYR H H 64 9.648 9.056 0.592 1
1 534 . 5 1 1 A 64 64 TYR HA H 64 4.839 5.073 -0.234 1
1 541 . 5 1 1 A 64 64 TYR N N 64 119.292 120.355 -1.063 1
1 542 . 5 1 1 A 65 65 LEU H H 65 9.244 9.810 -0.566 1
1 543 . 5 1 1 A 65 65 LEU HA H 65 5.308 5.244 0.064 1
1 553 . 5 1 1 A 65 65 LEU N N 65 125.959 126.220 -0.261 1
1 554 . 5 1 1 A 66 66 SER H H 66 9.446 8.900 0.546 1
1 555 . 5 1 1 A 66 66 SER HA H 66 5.096 5.114 -0.018 1
1 558 . 5 1 1 A 66 66 SER N N 66 121.031 122.422 -1.391 1
1 559 . 5 1 1 A 67 67 ASP H H 67 9.348 9.637 -0.289 1
1 560 . 5 1 1 A 67 67 ASP HA H 67 5.459 4.808 0.651 1
1 563 . 5 1 1 A 67 67 ASP N N 67 125.532 125.802 -0.270 1
1 564 . 5 1 1 A 68 68 CYS H H 68 8.355 8.602 -0.247 1
1 565 . 5 1 1 A 68 68 CYS HA H 68 5.131 5.290 -0.159 1
1 568 . 5 1 1 A 68 68 CYS N N 68 118.606 121.707 -3.101 1
1 569 . 5 1 1 A 69 69 ASN H H 69 8.586 8.876 -0.290 1
1 570 . 5 1 1 A 69 69 ASN HA H 69 5.471 5.225 0.246 1
1 575 . 5 1 1 A 69 69 ASN N N 69 121.731 123.284 -1.553 1
1 577 . 5 1 1 A 70 70 VAL H H 70 9.041 8.581 0.460 1
1 578 . 5 1 1 A 70 70 VAL HA H 70 3.446 4.427 -0.981 1
1 586 . 5 1 1 A 70 70 VAL N N 70 128.654 127.441 1.213 1
1 587 . 5 1 1 A 71 71 THR H H 71 8.073 8.197 -0.124 1
1 588 . 5 1 1 A 71 71 THR HA H 71 4.562 4.796 -0.234 1
1 593 . 5 1 1 A 71 71 THR N N 71 116.683 117.212 -0.529 1
1 594 . 5 1 1 A 72 72 SER H H 72 8.060 8.671 -0.611 1
1 595 . 5 1 1 A 72 72 SER HA H 72 4.102 4.464 -0.362 1
1 598 . 5 1 1 A 73 73 ARG H H 73 7.728 7.253 0.475 1
1 599 . 5 1 1 A 73 73 ARG HA H 73 4.577 4.494 0.083 1
1 607 . 5 1 1 A 73 73 ARG N N 73 124.362 120.572 3.790 1
1 608 . 5 1 1 A 74 74 PRO HA H 74 3.845 4.246 -0.401 1
1 615 . 5 1 1 A 75 75 CYS H H 75 8.594 8.572 0.022 1
1 616 . 5 1 1 A 75 75 CYS HA H 75 4.113 4.097 0.016 1
1 619 . 5 1 1 A 75 75 CYS N N 75 120.291 115.145 5.146 1
1 620 . 5 1 1 A 76 76 LYS H H 76 7.041 7.531 -0.490 1
1 621 . 5 1 1 A 76 76 LYS HA H 76 4.745 4.349 0.396 1
1 628 . 5 1 1 A 76 76 LYS N N 76 116.469 119.944 -3.475 1
1 629 . 5 1 1 A 77 77 TYR H H 77 9.907 8.501 1.406 1
1 630 . 5 1 1 A 77 77 TYR HA H 77 4.301 5.267 -0.966 1
1 637 . 5 1 1 A 77 77 TYR N N 77 123.774 120.441 3.333 1
1 638 . 5 1 1 A 78 78 LYS H H 78 8.852 8.648 0.204 1
1 639 . 5 1 1 A 78 78 LYS HA H 78 4.529 5.117 -0.588 1
1 651 . 5 1 1 A 78 78 LYS N N 78 120.664 119.453 1.211 1
1 652 . 5 1 1 A 79 79 LEU H H 79 8.392 8.639 -0.247 1
1 653 . 5 1 1 A 79 79 LEU HA H 79 5.259 4.849 0.410 1
1 663 . 5 1 1 A 79 79 LEU N N 79 126.842 123.942 2.900 1
1 664 . 5 1 1 A 80 80 LYS H H 80 9.300 9.301 -0.001 1
1 665 . 5 1 1 A 80 80 LYS HA H 80 4.745 4.869 -0.124 1
1 672 . 5 1 1 A 80 80 LYS N N 80 128.617 127.364 1.253 1
1 673 . 5 1 1 A 81 81 LYS H H 81 9.242 8.799 0.443 1
1 674 . 5 1 1 A 81 81 LYS HA H 81 5.159 4.799 0.360 1
1 683 . 5 1 1 A 81 81 LYS N N 81 130.142 128.049 2.093 1
1 684 . 5 1 1 A 82 82 SER H H 82 8.828 9.437 -0.609 1
1 685 . 5 1 1 A 82 82 SER HA H 82 4.753 5.257 -0.504 1
1 688 . 5 1 1 A 82 82 SER N N 82 117.009 120.528 -3.519 1
1 689 . 5 1 1 A 83 83 THR H H 83 8.402 8.778 -0.376 1
1 690 . 5 1 1 A 83 83 THR HA H 83 5.374 5.549 -0.175 1
1 695 . 5 1 1 A 83 83 THR N N 83 115.259 117.817 -2.558 1
1 696 . 5 1 1 A 84 84 ASN H H 84 9.053 8.820 0.233 1
1 697 . 5 1 1 A 84 84 ASN HA H 84 4.863 5.194 -0.331 1
1 702 . 5 1 1 A 84 84 ASN N N 84 121.758 123.375 -1.617 1
1 704 . 5 1 1 A 85 85 LYS H H 85 8.837 8.091 0.746 1
1 705 . 5 1 1 A 85 85 LYS HA H 85 4.401 4.667 -0.266 1
1 712 . 5 1 1 A 85 85 LYS N N 85 120.865 122.225 -1.360 1
1 713 . 5 1 1 A 86 86 PHE H H 86 7.830 8.508 -0.678 1
1 714 . 5 1 1 A 86 86 PHE HA H 86 4.944 5.405 -0.461 1
1 722 . 5 1 1 A 86 86 PHE N N 86 114.090 119.214 -5.124 1
1 723 . 5 1 1 A 87 87 ALA H H 87 8.702 8.867 -0.165 1
1 724 . 5 1 1 A 87 87 ALA HA H 87 5.715 5.643 0.072 1
1 728 . 5 1 1 A 87 87 ALA N N 87 121.161 122.164 -1.003 1
1 729 . 5 1 1 A 88 88 VAL H H 88 8.472 9.048 -0.576 1
1 730 . 5 1 1 A 88 88 VAL HA H 88 4.918 4.957 -0.039 1
1 738 . 5 1 1 A 88 88 VAL N N 88 112.187 116.709 -4.522 1
1 739 . 5 1 1 A 89 89 THR H H 89 8.469 9.023 -0.554 1
1 740 . 5 1 1 A 89 89 THR HA H 89 4.760 5.181 -0.421 1
1 745 . 5 1 1 A 89 89 THR N N 89 118.002 118.291 -0.289 1
1 746 . 5 1 1 A 90 90 CYS H H 90 9.106 9.119 -0.013 1
1 747 . 5 1 1 A 90 90 CYS HA H 90 5.049 5.792 -0.743 1
1 750 . 5 1 1 A 90 90 CYS N N 90 126.735 125.647 1.088 1
1 751 . 5 1 1 A 91 91 GLU H H 91 8.687 8.802 -0.115 1
1 752 . 5 1 1 A 91 91 GLU HA H 91 4.079 4.511 -0.432 1
1 757 . 5 1 1 A 91 91 GLU N N 91 118.639 121.580 -2.941 1
1 758 . 5 1 1 A 92 92 ASN H H 92 10.229 9.816 0.413 1
1 759 . 5 1 1 A 92 92 ASN HA H 92 4.237 4.395 -0.158 1
1 764 . 5 1 1 A 92 92 ASN N N 92 126.427 126.284 0.143 1
1 766 . 5 1 1 A 93 93 GLN H H 93 8.746 8.758 -0.012 1
1 767 . 5 1 1 A 93 93 GLN HA H 93 3.939 4.002 -0.063 1
1 774 . 5 1 1 A 93 93 GLN N N 93 105.324 109.196 -3.872 1
1 776 . 5 1 1 A 94 94 ALA H H 94 7.487 7.447 0.040 1
1 777 . 5 1 1 A 94 94 ALA HA H 94 4.313 4.584 -0.271 1
1 781 . 5 1 1 A 94 94 ALA N N 94 118.760 119.060 -0.300 1
1 782 . 5 1 1 A 95 95 PRO HA H 95 5.061 4.764 0.297 1
1 789 . 5 1 1 A 96 96 VAL H H 96 8.499 8.520 -0.021 1
1 790 . 5 1 1 A 96 96 VAL HA H 96 4.443 4.537 -0.094 1
1 798 . 5 1 1 A 96 96 VAL N N 96 108.711 115.704 -6.993 1
1 799 . 5 1 1 A 97 97 HIS H H 97 7.326 7.582 -0.256 1
1 800 . 5 1 1 A 97 97 HIS HA H 97 5.400 5.110 0.290 1
1 805 . 5 1 1 A 97 97 HIS N N 97 116.780 120.982 -4.202 1
1 806 . 5 1 1 A 98 98 PHE H H 98 8.120 8.737 -0.617 1
1 807 . 5 1 1 A 98 98 PHE HA H 98 4.430 4.759 -0.329 1
1 815 . 5 1 1 A 99 99 VAL H H 99 8.208 8.406 -0.198 1
1 816 . 5 1 1 A 99 99 VAL HA H 99 3.829 3.872 -0.043 1
1 824 . 5 1 1 A 99 99 VAL N N 99 129.253 126.767 2.486 1
1 825 . 5 1 1 A 100 100 GLY H H 100 6.578 6.205 0.373 1
1 826 . 5 1 1 A 100 100 GLY HA2 H 100 4.212 3.651 0.561 1
1 827 . 5 1 1 A 100 100 GLY HA3 H 100 3.921 3.813 0.108 1
1 828 . 5 1 1 A 100 100 GLY N N 100 104.609 105.196 -0.587 1
1 829 . 5 1 1 A 101 101 VAL H H 101 8.454 8.431 0.023 1
1 830 . 5 1 1 A 101 101 VAL HA H 101 4.371 4.693 -0.322 1
1 838 . 5 1 1 A 101 101 VAL N N 101 116.884 116.478 0.406 1
1 839 . 5 1 1 A 102 102 GLY H H 102 8.333 8.137 0.196 1
1 840 . 5 1 1 A 102 102 GLY HA2 H 102 3.945 4.130 -0.185 1
1 841 . 5 1 1 A 102 102 GLY HA3 H 102 3.641 4.146 -0.505 1
1 842 . 5 1 1 A 102 102 GLY N N 102 112.591 110.050 2.541 1
1 843 . 5 1 1 A 103 103 SER H H 103 7.904 8.972 -1.068 1
1 844 . 5 1 1 A 103 103 SER HA H 103 4.322 5.376 -1.054 1
1 847 . 5 1 1 A 103 103 SER N N 103 114.061 118.168 -4.107 1
1 13 . 6 1 1 A 3 3 TRP H H 3 9.300 8.955 0.345 1
1 14 . 6 1 1 A 3 3 TRP HA H 3 5.398 4.395 1.003 1
1 23 . 6 1 1 A 3 3 TRP N N 3 123.555 123.489 0.066 1
1 25 . 6 1 1 A 4 4 LEU H H 4 8.275 8.197 0.078 1
1 26 . 6 1 1 A 4 4 LEU HA H 4 3.677 3.778 -0.101 1
1 36 . 6 1 1 A 4 4 LEU N N 4 120.894 120.797 0.097 1
1 37 . 6 1 1 A 5 5 THR H H 5 8.719 8.208 0.511 1
1 38 . 6 1 1 A 5 5 THR HA H 5 3.799 3.970 -0.171 1
1 43 . 6 1 1 A 5 5 THR N N 5 117.567 114.887 2.680 1
1 44 . 6 1 1 A 6 6 PHE H H 6 8.735 8.049 0.686 1
1 45 . 6 1 1 A 6 6 PHE HA H 6 4.139 3.997 0.142 1
1 53 . 6 1 1 A 6 6 PHE N N 6 122.982 121.885 1.097 1
1 54 . 6 1 1 A 7 7 GLN H H 7 8.053 7.514 0.539 1
1 55 . 6 1 1 A 7 7 GLN HA H 7 3.456 3.128 0.328 1
1 62 . 6 1 1 A 7 7 GLN N N 7 117.062 117.657 -0.595 1
1 64 . 6 1 1 A 8 8 LYS H H 8 7.366 7.782 -0.416 1
1 65 . 6 1 1 A 8 8 LYS HA H 8 3.845 3.933 -0.088 1
1 77 . 6 1 1 A 8 8 LYS N N 8 117.944 120.267 -2.323 1
1 78 . 6 1 1 A 9 9 LYS H H 9 7.996 7.471 0.525 1
1 79 . 6 1 1 A 9 9 LYS HA H 9 3.969 4.146 -0.177 1
1 86 . 6 1 1 A 9 9 LYS N N 9 115.014 117.354 -2.340 1
1 87 . 6 1 1 A 10 10 HIS H H 10 7.785 7.792 -0.007 1
1 88 . 6 1 1 A 10 10 HIS HA H 10 4.536 4.703 -0.167 1
1 93 . 6 1 1 A 10 10 HIS N N 10 107.185 110.323 -3.138 1
1 94 . 6 1 1 A 11 11 ILE H H 11 8.179 7.600 0.579 1
1 95 . 6 1 1 A 11 11 ILE HA H 11 5.064 4.444 0.620 1
1 105 . 6 1 1 A 11 11 ILE N N 11 121.378 119.379 1.999 1
1 106 . 6 1 1 A 12 12 THR H H 12 8.546 8.842 -0.296 1
1 107 . 6 1 1 A 12 12 THR HA H 12 5.002 4.770 0.232 1
1 112 . 6 1 1 A 12 12 THR N N 12 120.322 121.917 -1.595 1
1 113 . 6 1 1 A 13 13 ASN H H 13 8.263 8.831 -0.568 1
1 114 . 6 1 1 A 13 13 ASN HA H 13 4.827 4.811 0.016 1
1 119 . 6 1 1 A 13 13 ASN N N 13 123.517 123.664 -0.147 1
1 121 . 6 1 1 A 14 14 THR H H 14 7.878 7.269 0.609 1
1 122 . 6 1 1 A 14 14 THR HA H 14 4.395 4.496 -0.101 1
1 127 . 6 1 1 A 14 14 THR N N 14 113.563 113.126 0.437 1
1 128 . 6 1 1 A 15 15 ARG H H 15 8.545 8.218 0.327 1
1 129 . 6 1 1 A 15 15 ARG HA H 15 3.448 3.694 -0.246 1
1 137 . 6 1 1 A 15 15 ARG N N 15 126.331 125.074 1.257 1
1 138 . 6 1 1 A 16 16 ASP H H 16 7.846 7.117 0.729 1
1 139 . 6 1 1 A 16 16 ASP HA H 16 4.512 4.760 -0.248 1
1 142 . 6 1 1 A 16 16 ASP N N 16 121.932 117.957 3.975 1
1 143 . 6 1 1 A 17 17 VAL H H 17 6.499 8.108 -1.609 1
1 144 . 6 1 1 A 17 17 VAL HA H 17 2.954 4.344 -1.390 1
1 152 . 6 1 1 A 17 17 VAL N N 17 121.499 121.110 0.389 1
1 153 . 6 1 1 A 18 18 ASP H H 18 8.566 8.813 -0.247 1
1 154 . 6 1 1 A 18 18 ASP HA H 18 4.524 4.704 -0.180 1
1 157 . 6 1 1 A 18 18 ASP N N 18 127.059 128.229 -1.170 1
1 158 . 6 1 1 A 19 19 CYS H H 19 7.838 8.290 -0.452 1
1 159 . 6 1 1 A 19 19 CYS HA H 19 3.556 4.023 -0.467 1
1 162 . 6 1 1 A 19 19 CYS N N 19 120.870 121.539 -0.669 1
1 163 . 6 1 1 A 20 20 ASP H H 20 8.819 8.281 0.538 1
1 164 . 6 1 1 A 20 20 ASP HA H 20 4.298 4.292 0.006 1
1 167 . 6 1 1 A 20 20 ASP N N 20 118.657 120.953 -2.296 1
1 168 . 6 1 1 A 21 21 ASN H H 21 6.997 8.101 -1.104 1
1 169 . 6 1 1 A 21 21 ASN HA H 21 4.589 4.582 0.007 1
1 174 . 6 1 1 A 21 21 ASN N N 21 114.544 115.452 -0.908 1
1 176 . 6 1 1 A 22 22 ILE H H 22 7.844 7.670 0.174 1
1 177 . 6 1 1 A 22 22 ILE HA H 22 3.957 3.773 0.184 1
1 187 . 6 1 1 A 22 22 ILE N N 22 119.569 120.103 -0.534 1
1 188 . 6 1 1 A 23 23 MET H H 23 8.494 8.231 0.263 1
1 189 . 6 1 1 A 23 23 MET HA H 23 4.138 4.162 -0.024 1
1 194 . 6 1 1 A 23 23 MET N N 23 117.955 120.444 -2.489 1
1 195 . 6 1 1 A 24 24 SER H H 24 7.101 7.682 -0.581 1
1 196 . 6 1 1 A 24 24 SER HA H 24 4.114 4.425 -0.311 1
1 199 . 6 1 1 A 24 24 SER N N 24 108.759 113.358 -4.599 1
1 200 . 6 1 1 A 25 25 THR H H 25 7.455 7.807 -0.352 1
1 201 . 6 1 1 A 25 25 THR HA H 25 4.553 4.437 0.116 1
1 206 . 6 1 1 A 25 25 THR N N 25 113.003 115.123 -2.120 1
1 207 . 6 1 1 A 26 26 ASN H H 26 7.468 9.103 -1.635 1
1 208 . 6 1 1 A 26 26 ASN HA H 26 4.070 4.634 -0.564 1
1 213 . 6 1 1 A 26 26 ASN N N 26 117.889 125.893 -8.004 1
1 215 . 6 1 1 A 27 27 LEU H H 27 7.379 8.066 -0.687 1
1 216 . 6 1 1 A 27 27 LEU HA H 27 3.763 4.071 -0.308 1
1 226 . 6 1 1 A 27 27 LEU N N 27 117.538 120.419 -2.881 1
1 227 . 6 1 1 A 28 28 PHE H H 28 6.693 8.122 -1.429 1
1 228 . 6 1 1 A 28 28 PHE HA H 28 4.334 4.614 -0.280 1
1 236 . 6 1 1 A 28 28 PHE N N 28 113.427 114.313 -0.886 1
1 237 . 6 1 1 A 29 29 HIS H H 29 8.798 8.674 0.124 1
1 238 . 6 1 1 A 29 29 HIS HA H 29 4.249 4.126 0.123 1
1 243 . 6 1 1 A 29 29 HIS N N 29 114.076 116.828 -2.752 1
1 244 . 6 1 1 A 30 30 CYS H H 30 9.153 8.643 0.510 1
1 245 . 6 1 1 A 30 30 CYS HA H 30 4.512 4.282 0.230 1
1 248 . 6 1 1 A 30 30 CYS N N 30 109.137 116.966 -7.829 1
1 249 . 6 1 1 A 31 31 LYS H H 31 7.521 7.805 -0.284 1
1 250 . 6 1 1 A 31 31 LYS HA H 31 4.334 4.454 -0.120 1
1 262 . 6 1 1 A 31 31 LYS N N 31 117.016 117.852 -0.836 1
1 263 . 6 1 1 A 32 32 ASP H H 32 8.496 8.544 -0.048 1
1 264 . 6 1 1 A 32 32 ASP HA H 32 4.139 4.435 -0.296 1
1 267 . 6 1 1 A 32 32 ASP N N 32 120.267 120.661 -0.394 1
1 268 . 6 1 1 A 33 33 LYS H H 33 7.519 7.629 -0.110 1
1 269 . 6 1 1 A 33 33 LYS HA H 33 5.563 5.394 0.169 1
1 281 . 6 1 1 A 33 33 LYS N N 33 114.737 113.014 1.723 1
1 282 . 6 1 1 A 34 34 ASN H H 34 7.794 8.347 -0.553 1
1 283 . 6 1 1 A 34 34 ASN HA H 34 4.477 5.120 -0.643 1
1 288 . 6 1 1 A 34 34 ASN N N 34 116.413 119.147 -2.734 1
1 290 . 6 1 1 A 35 35 THR H H 35 7.819 8.797 -0.978 1
1 291 . 6 1 1 A 35 35 THR HA H 35 4.454 4.456 -0.002 1
1 296 . 6 1 1 A 35 35 THR N N 35 122.595 121.971 0.624 1
1 297 . 6 1 1 A 36 36 PHE H H 36 9.192 7.852 1.340 1
1 298 . 6 1 1 A 36 36 PHE HA H 36 4.465 5.173 -0.708 1
1 306 . 6 1 1 A 36 36 PHE N N 36 125.174 123.864 1.310 1
1 307 . 6 1 1 A 37 37 ILE H H 37 9.389 9.462 -0.073 1
1 308 . 6 1 1 A 37 37 ILE HA H 37 4.197 4.530 -0.333 1
1 318 . 6 1 1 A 37 37 ILE N N 37 122.998 122.599 0.399 1
1 319 . 6 1 1 A 38 38 TYR H H 38 8.959 9.370 -0.411 1
1 320 . 6 1 1 A 38 38 TYR HA H 38 5.341 5.401 -0.060 1
1 327 . 6 1 1 A 38 38 TYR N N 38 129.369 129.885 -0.516 1
1 328 . 6 1 1 A 39 39 SER H H 39 7.608 7.885 -0.277 1
1 329 . 6 1 1 A 39 39 SER HA H 39 4.298 4.688 -0.390 1
1 332 . 6 1 1 A 39 39 SER N N 39 121.061 123.593 -2.532 1
1 333 . 6 1 1 A 40 40 ARG H H 40 8.441 8.462 -0.021 1
1 334 . 6 1 1 A 40 40 ARG HA H 40 4.633 4.554 0.079 1
1 342 . 6 1 1 A 40 40 ARG N N 40 123.846 122.069 1.777 1
1 343 . 6 1 1 A 41 41 PRO HA H 41 3.881 4.486 -0.605 1
1 350 . 6 1 1 A 42 42 GLU H H 42 9.361 8.497 0.864 1
1 351 . 6 1 1 A 42 42 GLU HA H 42 4.103 4.276 -0.173 1
1 356 . 6 1 1 A 42 42 GLU N N 42 118.394 118.127 0.267 1
1 357 . 6 1 1 A 43 43 PRO HA H 43 4.371 4.494 -0.123 1
1 364 . 6 1 1 A 44 44 VAL H H 44 6.810 7.449 -0.639 1
1 365 . 6 1 1 A 44 44 VAL HA H 44 3.823 3.802 0.021 1
1 373 . 6 1 1 A 44 44 VAL N N 44 116.005 116.762 -0.757 1
1 374 . 6 1 1 A 45 45 LYS H H 45 8.399 8.266 0.133 1
1 375 . 6 1 1 A 45 45 LYS HA H 45 2.748 3.952 -1.204 1
1 382 . 6 1 1 A 45 45 LYS N N 45 121.531 120.880 0.651 1
1 383 . 6 1 1 A 46 46 ALA H H 46 7.601 8.451 -0.850 1
1 384 . 6 1 1 A 46 46 ALA HA H 46 3.823 4.096 -0.273 1
1 388 . 6 1 1 A 46 46 ALA N N 46 115.333 121.138 -5.805 1
1 389 . 6 1 1 A 47 47 ILE H H 47 7.345 7.610 -0.265 1
1 390 . 6 1 1 A 47 47 ILE HA H 47 3.592 3.609 -0.017 1
1 400 . 6 1 1 A 47 47 ILE N N 47 119.605 118.693 0.912 1
1 401 . 6 1 1 A 48 48 CYS H H 48 7.094 7.831 -0.737 1
1 402 . 6 1 1 A 48 48 CYS HA H 48 4.589 4.792 -0.203 1
1 405 . 6 1 1 A 48 48 CYS N N 48 111.804 115.520 -3.716 1
1 406 . 6 1 1 A 49 49 LYS H H 49 7.223 7.286 -0.063 1
1 407 . 6 1 1 A 49 49 LYS HA H 49 3.787 3.869 -0.082 1
1 416 . 6 1 1 A 49 49 LYS N N 49 123.849 123.603 0.246 1
1 417 . 6 1 1 A 50 50 GLY H H 50 9.126 8.893 0.233 1
1 418 . 6 1 1 A 50 50 GLY HA2 H 50 4.018 3.909 0.109 1
1 419 . 6 1 1 A 50 50 GLY HA3 H 50 3.398 3.912 -0.514 1
1 420 . 6 1 1 A 50 50 GLY N N 50 114.134 114.566 -0.432 1
1 421 . 6 1 1 A 51 51 ILE H H 51 7.759 7.976 -0.217 1
1 422 . 6 1 1 A 51 51 ILE HA H 51 3.904 4.130 -0.226 1
1 432 . 6 1 1 A 51 51 ILE N N 51 122.336 122.564 -0.228 1
1 433 . 6 1 1 A 52 52 ILE H H 52 8.204 8.832 -0.628 1
1 434 . 6 1 1 A 52 52 ILE HA H 52 3.706 4.265 -0.559 1
1 444 . 6 1 1 A 52 52 ILE N N 52 128.010 129.076 -1.066 1
1 445 . 6 1 1 A 53 53 ALA H H 53 7.722 7.704 0.018 1
1 446 . 6 1 1 A 53 53 ALA HA H 53 4.220 4.345 -0.125 1
1 450 . 6 1 1 A 53 53 ALA N N 53 123.517 125.597 -2.080 1
1 451 . 6 1 1 A 54 54 SER H H 54 7.929 8.684 -0.755 1
1 452 . 6 1 1 A 54 54 SER HA H 54 4.885 4.865 0.020 1
1 455 . 6 1 1 A 54 54 SER N N 54 112.613 118.550 -5.937 1
1 456 . 6 1 1 A 55 55 LYS H H 55 8.361 8.403 -0.042 1
1 457 . 6 1 1 A 55 55 LYS HA H 55 4.261 4.980 -0.719 1
1 466 . 6 1 1 A 55 55 LYS N N 55 126.198 121.833 4.365 1
1 467 . 6 1 1 A 56 56 ASN H H 56 8.677 8.808 -0.131 1
1 468 . 6 1 1 A 56 56 ASN HA H 56 5.629 5.144 0.485 1
1 473 . 6 1 1 A 56 56 ASN N N 56 125.474 121.693 3.781 1
1 475 . 6 1 1 A 57 57 VAL H H 57 9.071 9.415 -0.344 1
1 476 . 6 1 1 A 57 57 VAL HA H 57 4.102 4.409 -0.307 1
1 484 . 6 1 1 A 57 57 VAL N N 57 122.842 126.138 -3.296 1
1 485 . 6 1 1 A 58 58 LEU H H 58 8.003 8.590 -0.587 1
1 486 . 6 1 1 A 58 58 LEU HA H 58 4.565 4.717 -0.152 1
1 496 . 6 1 1 A 58 58 LEU N N 58 126.427 127.507 -1.080 1
1 497 . 6 1 1 A 59 59 THR H H 59 8.729 9.020 -0.291 1
1 498 . 6 1 1 A 59 59 THR HA H 59 4.018 3.981 0.037 1
1 503 . 6 1 1 A 59 59 THR N N 59 117.852 119.095 -1.243 1
1 504 . 6 1 1 A 60 60 THR H H 60 8.464 8.824 -0.360 1
1 505 . 6 1 1 A 60 60 THR HA H 60 4.152 4.459 -0.307 1
1 510 . 6 1 1 A 60 60 THR N N 60 110.875 121.440 -10.565 1
1 511 . 6 1 1 A 61 61 SER H H 61 7.518 7.843 -0.325 1
1 512 . 6 1 1 A 61 61 SER HA H 61 4.553 4.848 -0.295 1
1 515 . 6 1 1 A 61 61 SER N N 61 114.743 116.912 -2.169 1
1 516 . 6 1 1 A 62 62 GLU H H 62 8.363 8.614 -0.251 1
1 517 . 6 1 1 A 62 62 GLU HA H 62 4.045 5.128 -1.083 1
1 522 . 6 1 1 A 62 62 GLU N N 62 119.457 121.120 -1.663 1
1 523 . 6 1 1 A 63 63 PHE H H 63 8.539 9.601 -1.062 1
1 524 . 6 1 1 A 63 63 PHE HA H 63 4.512 4.844 -0.332 1
1 532 . 6 1 1 A 63 63 PHE N N 63 121.301 123.029 -1.728 1
1 533 . 6 1 1 A 64 64 TYR H H 64 9.648 8.919 0.729 1
1 534 . 6 1 1 A 64 64 TYR HA H 64 4.839 4.962 -0.123 1
1 541 . 6 1 1 A 64 64 TYR N N 64 119.292 120.277 -0.985 1
1 542 . 6 1 1 A 65 65 LEU H H 65 9.244 9.673 -0.429 1
1 543 . 6 1 1 A 65 65 LEU HA H 65 5.308 5.343 -0.035 1
1 553 . 6 1 1 A 65 65 LEU N N 65 125.959 126.167 -0.208 1
1 554 . 6 1 1 A 66 66 SER H H 66 9.446 9.048 0.398 1
1 555 . 6 1 1 A 66 66 SER HA H 66 5.096 5.489 -0.393 1
1 558 . 6 1 1 A 66 66 SER N N 66 121.031 122.295 -1.264 1
1 559 . 6 1 1 A 67 67 ASP H H 67 9.348 9.530 -0.182 1
1 560 . 6 1 1 A 67 67 ASP HA H 67 5.459 4.983 0.476 1
1 563 . 6 1 1 A 67 67 ASP N N 67 125.532 126.869 -1.337 1
1 564 . 6 1 1 A 68 68 CYS H H 68 8.355 8.321 0.034 1
1 565 . 6 1 1 A 68 68 CYS HA H 68 5.131 5.475 -0.344 1
1 568 . 6 1 1 A 68 68 CYS N N 68 118.606 123.550 -4.944 1
1 569 . 6 1 1 A 69 69 ASN H H 69 8.586 8.955 -0.369 1
1 570 . 6 1 1 A 69 69 ASN HA H 69 5.471 5.108 0.363 1
1 575 . 6 1 1 A 69 69 ASN N N 69 121.731 123.100 -1.369 1
1 577 . 6 1 1 A 70 70 VAL H H 70 9.041 8.135 0.906 1
1 578 . 6 1 1 A 70 70 VAL HA H 70 3.446 3.795 -0.349 1
1 586 . 6 1 1 A 70 70 VAL N N 70 128.654 126.795 1.859 1
1 587 . 6 1 1 A 71 71 THR H H 71 8.073 8.123 -0.050 1
1 588 . 6 1 1 A 71 71 THR HA H 71 4.562 4.791 -0.229 1
1 593 . 6 1 1 A 71 71 THR N N 71 116.683 117.694 -1.011 1
1 594 . 6 1 1 A 72 72 SER H H 72 8.060 8.640 -0.580 1
1 595 . 6 1 1 A 72 72 SER HA H 72 4.102 4.312 -0.210 1
1 598 . 6 1 1 A 73 73 ARG H H 73 7.728 7.796 -0.068 1
1 599 . 6 1 1 A 73 73 ARG HA H 73 4.577 4.556 0.021 1
1 607 . 6 1 1 A 73 73 ARG N N 73 124.362 119.346 5.016 1
1 608 . 6 1 1 A 74 74 PRO HA H 74 3.845 4.273 -0.428 1
1 615 . 6 1 1 A 75 75 CYS H H 75 8.594 8.848 -0.254 1
1 616 . 6 1 1 A 75 75 CYS HA H 75 4.113 4.443 -0.330 1
1 619 . 6 1 1 A 75 75 CYS N N 75 120.291 120.590 -0.299 1
1 620 . 6 1 1 A 76 76 LYS H H 76 7.041 7.583 -0.542 1
1 621 . 6 1 1 A 76 76 LYS HA H 76 4.745 4.721 0.024 1
1 628 . 6 1 1 A 76 76 LYS N N 76 116.469 120.366 -3.897 1
1 629 . 6 1 1 A 77 77 TYR H H 77 9.907 8.508 1.399 1
1 630 . 6 1 1 A 77 77 TYR HA H 77 4.301 5.354 -1.053 1
1 637 . 6 1 1 A 77 77 TYR N N 77 123.774 120.412 3.362 1
1 638 . 6 1 1 A 78 78 LYS H H 78 8.852 8.902 -0.050 1
1 639 . 6 1 1 A 78 78 LYS HA H 78 4.529 5.001 -0.472 1
1 651 . 6 1 1 A 78 78 LYS N N 78 120.664 119.186 1.478 1
1 652 . 6 1 1 A 79 79 LEU H H 79 8.392 8.393 -0.001 1
1 653 . 6 1 1 A 79 79 LEU HA H 79 5.259 4.725 0.534 1
1 663 . 6 1 1 A 79 79 LEU N N 79 126.842 124.475 2.367 1
1 664 . 6 1 1 A 80 80 LYS H H 80 9.300 8.852 0.448 1
1 665 . 6 1 1 A 80 80 LYS HA H 80 4.745 4.896 -0.151 1
1 672 . 6 1 1 A 80 80 LYS N N 80 128.617 128.585 0.032 1
1 673 . 6 1 1 A 81 81 LYS H H 81 9.242 8.819 0.423 1
1 674 . 6 1 1 A 81 81 LYS HA H 81 5.159 5.014 0.145 1
1 683 . 6 1 1 A 81 81 LYS N N 81 130.142 128.089 2.053 1
1 684 . 6 1 1 A 82 82 SER H H 82 8.828 8.851 -0.023 1
1 685 . 6 1 1 A 82 82 SER HA H 82 4.753 5.024 -0.271 1
1 688 . 6 1 1 A 82 82 SER N N 82 117.009 120.914 -3.905 1
1 689 . 6 1 1 A 83 83 THR H H 83 8.402 8.701 -0.299 1
1 690 . 6 1 1 A 83 83 THR HA H 83 5.374 5.686 -0.312 1
1 695 . 6 1 1 A 83 83 THR N N 83 115.259 118.382 -3.123 1
1 696 . 6 1 1 A 84 84 ASN H H 84 9.053 8.923 0.130 1
1 697 . 6 1 1 A 84 84 ASN HA H 84 4.863 5.875 -1.012 1
1 702 . 6 1 1 A 84 84 ASN N N 84 121.758 123.764 -2.006 1
1 704 . 6 1 1 A 85 85 LYS H H 85 8.837 7.974 0.863 1
1 705 . 6 1 1 A 85 85 LYS HA H 85 4.401 4.637 -0.236 1
1 712 . 6 1 1 A 85 85 LYS N N 85 120.865 119.541 1.324 1
1 713 . 6 1 1 A 86 86 PHE H H 86 7.830 8.514 -0.684 1
1 714 . 6 1 1 A 86 86 PHE HA H 86 4.944 5.445 -0.501 1
1 722 . 6 1 1 A 86 86 PHE N N 86 114.090 116.448 -2.358 1
1 723 . 6 1 1 A 87 87 ALA H H 87 8.702 8.626 0.076 1
1 724 . 6 1 1 A 87 87 ALA HA H 87 5.715 5.523 0.192 1
1 728 . 6 1 1 A 87 87 ALA N N 87 121.161 122.449 -1.288 1
1 729 . 6 1 1 A 88 88 VAL H H 88 8.472 9.193 -0.721 1
1 730 . 6 1 1 A 88 88 VAL HA H 88 4.918 4.995 -0.077 1
1 738 . 6 1 1 A 88 88 VAL N N 88 112.187 117.299 -5.112 1
1 739 . 6 1 1 A 89 89 THR H H 89 8.469 8.882 -0.413 1
1 740 . 6 1 1 A 89 89 THR HA H 89 4.760 4.947 -0.187 1
1 745 . 6 1 1 A 89 89 THR N N 89 118.002 119.116 -1.114 1
1 746 . 6 1 1 A 90 90 CYS H H 90 9.106 8.897 0.209 1
1 747 . 6 1 1 A 90 90 CYS HA H 90 5.049 5.834 -0.785 1
1 750 . 6 1 1 A 90 90 CYS N N 90 126.735 124.656 2.079 1
1 751 . 6 1 1 A 91 91 GLU H H 91 8.687 8.745 -0.058 1
1 752 . 6 1 1 A 91 91 GLU HA H 91 4.079 4.581 -0.502 1
1 757 . 6 1 1 A 91 91 GLU N N 91 118.639 122.616 -3.977 1
1 758 . 6 1 1 A 92 92 ASN H H 92 10.229 9.655 0.574 1
1 759 . 6 1 1 A 92 92 ASN HA H 92 4.237 4.380 -0.143 1
1 764 . 6 1 1 A 92 92 ASN N N 92 126.427 125.793 0.634 1
1 766 . 6 1 1 A 93 93 GLN H H 93 8.746 8.567 0.179 1
1 767 . 6 1 1 A 93 93 GLN HA H 93 3.939 3.845 0.094 1
1 774 . 6 1 1 A 93 93 GLN N N 93 105.324 109.152 -3.828 1
1 776 . 6 1 1 A 94 94 ALA H H 94 7.487 7.393 0.094 1
1 777 . 6 1 1 A 94 94 ALA HA H 94 4.313 4.437 -0.124 1
1 781 . 6 1 1 A 94 94 ALA N N 94 118.760 119.208 -0.448 1
1 782 . 6 1 1 A 95 95 PRO HA H 95 5.061 4.951 0.110 1
1 789 . 6 1 1 A 96 96 VAL H H 96 8.499 8.174 0.325 1
1 790 . 6 1 1 A 96 96 VAL HA H 96 4.443 4.268 0.175 1
1 798 . 6 1 1 A 96 96 VAL N N 96 108.711 119.895 -11.184 1
1 799 . 6 1 1 A 97 97 HIS H H 97 7.326 7.584 -0.258 1
1 800 . 6 1 1 A 97 97 HIS HA H 97 5.400 5.180 0.220 1
1 805 . 6 1 1 A 97 97 HIS N N 97 116.780 121.068 -4.288 1
1 806 . 6 1 1 A 98 98 PHE H H 98 8.120 9.218 -1.098 1
1 807 . 6 1 1 A 98 98 PHE HA H 98 4.430 4.662 -0.232 1
1 815 . 6 1 1 A 99 99 VAL H H 99 8.208 8.784 -0.576 1
1 816 . 6 1 1 A 99 99 VAL HA H 99 3.829 3.644 0.185 1
1 824 . 6 1 1 A 99 99 VAL N N 99 129.253 128.097 1.156 1
1 825 . 6 1 1 A 100 100 GLY H H 100 6.578 6.072 0.506 1
1 826 . 6 1 1 A 100 100 GLY HA2 H 100 4.212 3.343 0.869 1
1 827 . 6 1 1 A 100 100 GLY HA3 H 100 3.921 3.736 0.185 1
1 828 . 6 1 1 A 100 100 GLY N N 100 104.609 105.426 -0.817 1
1 829 . 6 1 1 A 101 101 VAL H H 101 8.454 8.539 -0.085 1
1 830 . 6 1 1 A 101 101 VAL HA H 101 4.371 4.550 -0.179 1
1 838 . 6 1 1 A 101 101 VAL N N 101 116.884 117.304 -0.420 1
1 839 . 6 1 1 A 102 102 GLY H H 102 8.333 8.537 -0.204 1
1 840 . 6 1 1 A 102 102 GLY HA2 H 102 3.945 4.142 -0.197 1
1 841 . 6 1 1 A 102 102 GLY HA3 H 102 3.641 4.161 -0.520 1
1 842 . 6 1 1 A 102 102 GLY N N 102 112.591 110.101 2.490 1
1 843 . 6 1 1 A 103 103 SER H H 103 7.904 8.363 -0.459 1
1 844 . 6 1 1 A 103 103 SER HA H 103 4.322 5.279 -0.957 1
1 847 . 6 1 1 A 103 103 SER N N 103 114.061 113.415 0.646 1
1 13 . 7 1 1 A 3 3 TRP H H 3 9.300 8.958 0.342 1
1 14 . 7 1 1 A 3 3 TRP HA H 3 5.398 4.346 1.052 1
1 23 . 7 1 1 A 3 3 TRP N N 3 123.555 123.958 -0.403 1
1 25 . 7 1 1 A 4 4 LEU H H 4 8.275 8.144 0.131 1
1 26 . 7 1 1 A 4 4 LEU HA H 4 3.677 3.833 -0.156 1
1 36 . 7 1 1 A 4 4 LEU N N 4 120.894 120.831 0.063 1
1 37 . 7 1 1 A 5 5 THR H H 5 8.719 8.312 0.407 1
1 38 . 7 1 1 A 5 5 THR HA H 5 3.799 3.963 -0.164 1
1 43 . 7 1 1 A 5 5 THR N N 5 117.567 115.637 1.930 1
1 44 . 7 1 1 A 6 6 PHE H H 6 8.735 8.034 0.701 1
1 45 . 7 1 1 A 6 6 PHE HA H 6 4.139 4.119 0.020 1
1 53 . 7 1 1 A 6 6 PHE N N 6 122.982 121.767 1.215 1
1 54 . 7 1 1 A 7 7 GLN H H 7 8.053 7.940 0.113 1
1 55 . 7 1 1 A 7 7 GLN HA H 7 3.456 3.280 0.176 1
1 62 . 7 1 1 A 7 7 GLN N N 7 117.062 117.850 -0.788 1
1 64 . 7 1 1 A 8 8 LYS H H 8 7.366 7.479 -0.113 1
1 65 . 7 1 1 A 8 8 LYS HA H 8 3.845 3.960 -0.115 1
1 77 . 7 1 1 A 8 8 LYS N N 8 117.944 118.658 -0.714 1
1 78 . 7 1 1 A 9 9 LYS H H 9 7.996 7.514 0.482 1
1 79 . 7 1 1 A 9 9 LYS HA H 9 3.969 3.906 0.063 1
1 86 . 7 1 1 A 9 9 LYS N N 9 115.014 119.492 -4.478 1
1 87 . 7 1 1 A 10 10 HIS H H 10 7.785 7.901 -0.116 1
1 88 . 7 1 1 A 10 10 HIS HA H 10 4.536 4.713 -0.177 1
1 93 . 7 1 1 A 10 10 HIS N N 10 107.185 114.266 -7.081 1
1 94 . 7 1 1 A 11 11 ILE H H 11 8.179 7.340 0.839 1
1 95 . 7 1 1 A 11 11 ILE HA H 11 5.064 4.483 0.581 1
1 105 . 7 1 1 A 11 11 ILE N N 11 121.378 120.589 0.789 1
1 106 . 7 1 1 A 12 12 THR H H 12 8.546 8.808 -0.262 1
1 107 . 7 1 1 A 12 12 THR HA H 12 5.002 4.961 0.041 1
1 112 . 7 1 1 A 12 12 THR N N 12 120.322 119.655 0.667 1
1 113 . 7 1 1 A 13 13 ASN H H 13 8.263 8.440 -0.177 1
1 114 . 7 1 1 A 13 13 ASN HA H 13 4.827 5.036 -0.209 1
1 119 . 7 1 1 A 13 13 ASN N N 13 123.517 123.374 0.143 1
1 121 . 7 1 1 A 14 14 THR H H 14 7.878 7.234 0.644 1
1 122 . 7 1 1 A 14 14 THR HA H 14 4.395 4.454 -0.059 1
1 127 . 7 1 1 A 14 14 THR N N 14 113.563 112.919 0.644 1
1 128 . 7 1 1 A 15 15 ARG H H 15 8.545 8.305 0.240 1
1 129 . 7 1 1 A 15 15 ARG HA H 15 3.448 3.740 -0.292 1
1 137 . 7 1 1 A 15 15 ARG N N 15 126.331 125.536 0.795 1
1 138 . 7 1 1 A 16 16 ASP H H 16 7.846 7.127 0.719 1
1 139 . 7 1 1 A 16 16 ASP HA H 16 4.512 4.770 -0.258 1
1 142 . 7 1 1 A 16 16 ASP N N 16 121.932 117.972 3.960 1
1 143 . 7 1 1 A 17 17 VAL H H 17 6.499 7.459 -0.960 1
1 144 . 7 1 1 A 17 17 VAL HA H 17 2.954 4.068 -1.114 1
1 152 . 7 1 1 A 17 17 VAL N N 17 121.499 121.022 0.477 1
1 153 . 7 1 1 A 18 18 ASP H H 18 8.566 8.792 -0.226 1
1 154 . 7 1 1 A 18 18 ASP HA H 18 4.524 4.642 -0.118 1
1 157 . 7 1 1 A 18 18 ASP N N 18 127.059 128.270 -1.211 1
1 158 . 7 1 1 A 19 19 CYS H H 19 7.838 8.761 -0.923 1
1 159 . 7 1 1 A 19 19 CYS HA H 19 3.556 4.062 -0.506 1
1 162 . 7 1 1 A 19 19 CYS N N 19 120.870 120.192 0.678 1
1 163 . 7 1 1 A 20 20 ASP H H 20 8.819 8.344 0.475 1
1 164 . 7 1 1 A 20 20 ASP HA H 20 4.298 4.136 0.162 1
1 167 . 7 1 1 A 20 20 ASP N N 20 118.657 120.855 -2.198 1
1 168 . 7 1 1 A 21 21 ASN H H 21 6.997 7.596 -0.599 1
1 169 . 7 1 1 A 21 21 ASN HA H 21 4.589 4.693 -0.104 1
1 174 . 7 1 1 A 21 21 ASN N N 21 114.544 115.626 -1.082 1
1 176 . 7 1 1 A 22 22 ILE H H 22 7.844 8.467 -0.623 1
1 177 . 7 1 1 A 22 22 ILE HA H 22 3.957 3.653 0.304 1
1 187 . 7 1 1 A 22 22 ILE N N 22 119.569 120.677 -1.108 1
1 188 . 7 1 1 A 23 23 MET H H 23 8.494 8.091 0.403 1
1 189 . 7 1 1 A 23 23 MET HA H 23 4.138 4.231 -0.093 1
1 194 . 7 1 1 A 23 23 MET N N 23 117.955 119.556 -1.601 1
1 195 . 7 1 1 A 24 24 SER H H 24 7.101 7.776 -0.675 1
1 196 . 7 1 1 A 24 24 SER HA H 24 4.114 4.436 -0.322 1
1 199 . 7 1 1 A 24 24 SER N N 24 108.759 114.332 -5.573 1
1 200 . 7 1 1 A 25 25 THR H H 25 7.455 7.820 -0.365 1
1 201 . 7 1 1 A 25 25 THR HA H 25 4.553 4.431 0.122 1
1 206 . 7 1 1 A 25 25 THR N N 25 113.003 115.906 -2.903 1
1 207 . 7 1 1 A 26 26 ASN H H 26 7.468 9.143 -1.675 1
1 208 . 7 1 1 A 26 26 ASN HA H 26 4.070 4.539 -0.469 1
1 213 . 7 1 1 A 26 26 ASN N N 26 117.889 125.398 -7.509 1
1 215 . 7 1 1 A 27 27 LEU H H 27 7.379 7.981 -0.602 1
1 216 . 7 1 1 A 27 27 LEU HA H 27 3.763 4.076 -0.313 1
1 226 . 7 1 1 A 27 27 LEU N N 27 117.538 121.165 -3.627 1
1 227 . 7 1 1 A 28 28 PHE H H 28 6.693 7.980 -1.287 1
1 228 . 7 1 1 A 28 28 PHE HA H 28 4.334 4.339 -0.005 1
1 236 . 7 1 1 A 28 28 PHE N N 28 113.427 114.341 -0.914 1
1 237 . 7 1 1 A 29 29 HIS H H 29 8.798 9.068 -0.270 1
1 238 . 7 1 1 A 29 29 HIS HA H 29 4.249 4.307 -0.058 1
1 243 . 7 1 1 A 29 29 HIS N N 29 114.076 115.815 -1.739 1
1 244 . 7 1 1 A 30 30 CYS H H 30 9.153 8.824 0.329 1
1 245 . 7 1 1 A 30 30 CYS HA H 30 4.512 4.286 0.226 1
1 248 . 7 1 1 A 30 30 CYS N N 30 109.137 116.968 -7.831 1
1 249 . 7 1 1 A 31 31 LYS H H 31 7.521 7.725 -0.204 1
1 250 . 7 1 1 A 31 31 LYS HA H 31 4.334 4.474 -0.140 1
1 262 . 7 1 1 A 31 31 LYS N N 31 117.016 116.888 0.128 1
1 263 . 7 1 1 A 32 32 ASP H H 32 8.496 8.535 -0.039 1
1 264 . 7 1 1 A 32 32 ASP HA H 32 4.139 4.589 -0.450 1
1 267 . 7 1 1 A 32 32 ASP N N 32 120.267 120.713 -0.446 1
1 268 . 7 1 1 A 33 33 LYS H H 33 7.519 7.578 -0.059 1
1 269 . 7 1 1 A 33 33 LYS HA H 33 5.563 5.218 0.345 1
1 281 . 7 1 1 A 33 33 LYS N N 33 114.737 113.274 1.463 1
1 282 . 7 1 1 A 34 34 ASN H H 34 7.794 8.225 -0.431 1
1 283 . 7 1 1 A 34 34 ASN HA H 34 4.477 5.063 -0.586 1
1 288 . 7 1 1 A 34 34 ASN N N 34 116.413 118.850 -2.437 1
1 290 . 7 1 1 A 35 35 THR H H 35 7.819 8.336 -0.517 1
1 291 . 7 1 1 A 35 35 THR HA H 35 4.454 4.475 -0.021 1
1 296 . 7 1 1 A 35 35 THR N N 35 122.595 122.927 -0.332 1
1 297 . 7 1 1 A 36 36 PHE H H 36 9.192 8.102 1.090 1
1 298 . 7 1 1 A 36 36 PHE HA H 36 4.465 5.793 -1.328 1
1 306 . 7 1 1 A 36 36 PHE N N 36 125.174 123.273 1.901 1
1 307 . 7 1 1 A 37 37 ILE H H 37 9.389 9.389 0.000 1
1 308 . 7 1 1 A 37 37 ILE HA H 37 4.197 4.572 -0.375 1
1 318 . 7 1 1 A 37 37 ILE N N 37 122.998 122.829 0.169 1
1 319 . 7 1 1 A 38 38 TYR H H 38 8.959 9.328 -0.369 1
1 320 . 7 1 1 A 38 38 TYR HA H 38 5.341 5.779 -0.438 1
1 327 . 7 1 1 A 38 38 TYR N N 38 129.369 130.114 -0.745 1
1 328 . 7 1 1 A 39 39 SER H H 39 7.608 8.134 -0.526 1
1 329 . 7 1 1 A 39 39 SER HA H 39 4.298 4.698 -0.400 1
1 332 . 7 1 1 A 39 39 SER N N 39 121.061 123.646 -2.585 1
1 333 . 7 1 1 A 40 40 ARG H H 40 8.441 8.462 -0.021 1
1 334 . 7 1 1 A 40 40 ARG HA H 40 4.633 4.605 0.028 1
1 342 . 7 1 1 A 40 40 ARG N N 40 123.846 121.995 1.851 1
1 343 . 7 1 1 A 41 41 PRO HA H 41 3.881 4.489 -0.608 1
1 350 . 7 1 1 A 42 42 GLU H H 42 9.361 8.586 0.775 1
1 351 . 7 1 1 A 42 42 GLU HA H 42 4.103 4.271 -0.168 1
1 356 . 7 1 1 A 42 42 GLU N N 42 118.394 118.343 0.051 1
1 357 . 7 1 1 A 43 43 PRO HA H 43 4.371 4.436 -0.065 1
1 364 . 7 1 1 A 44 44 VAL H H 44 6.810 6.984 -0.174 1
1 365 . 7 1 1 A 44 44 VAL HA H 44 3.823 3.725 0.098 1
1 373 . 7 1 1 A 44 44 VAL N N 44 116.005 116.465 -0.460 1
1 374 . 7 1 1 A 45 45 LYS H H 45 8.399 8.482 -0.083 1
1 375 . 7 1 1 A 45 45 LYS HA H 45 2.748 3.896 -1.148 1
1 382 . 7 1 1 A 45 45 LYS N N 45 121.531 120.739 0.792 1
1 383 . 7 1 1 A 46 46 ALA H H 46 7.601 8.296 -0.695 1
1 384 . 7 1 1 A 46 46 ALA HA H 46 3.823 4.041 -0.218 1
1 388 . 7 1 1 A 46 46 ALA N N 46 115.333 121.308 -5.975 1
1 389 . 7 1 1 A 47 47 ILE H H 47 7.345 7.531 -0.186 1
1 390 . 7 1 1 A 47 47 ILE HA H 47 3.592 3.596 -0.004 1
1 400 . 7 1 1 A 47 47 ILE N N 47 119.605 118.011 1.594 1
1 401 . 7 1 1 A 48 48 CYS H H 48 7.094 7.990 -0.896 1
1 402 . 7 1 1 A 48 48 CYS HA H 48 4.589 4.778 -0.189 1
1 405 . 7 1 1 A 48 48 CYS N N 48 111.804 115.436 -3.632 1
1 406 . 7 1 1 A 49 49 LYS H H 49 7.223 7.293 -0.070 1
1 407 . 7 1 1 A 49 49 LYS HA H 49 3.787 3.857 -0.070 1
1 416 . 7 1 1 A 49 49 LYS N N 49 123.849 123.307 0.542 1
1 417 . 7 1 1 A 50 50 GLY H H 50 9.126 9.077 0.049 1
1 418 . 7 1 1 A 50 50 GLY HA2 H 50 4.018 3.905 0.113 1
1 419 . 7 1 1 A 50 50 GLY HA3 H 50 3.398 3.908 -0.510 1
1 420 . 7 1 1 A 50 50 GLY N N 50 114.134 114.595 -0.461 1
1 421 . 7 1 1 A 51 51 ILE H H 51 7.759 7.960 -0.201 1
1 422 . 7 1 1 A 51 51 ILE HA H 51 3.904 4.115 -0.211 1
1 432 . 7 1 1 A 51 51 ILE N N 51 122.336 122.519 -0.183 1
1 433 . 7 1 1 A 52 52 ILE H H 52 8.204 8.758 -0.554 1
1 434 . 7 1 1 A 52 52 ILE HA H 52 3.706 4.244 -0.538 1
1 444 . 7 1 1 A 52 52 ILE N N 52 128.010 129.268 -1.258 1
1 445 . 7 1 1 A 53 53 ALA H H 53 7.722 7.596 0.126 1
1 446 . 7 1 1 A 53 53 ALA HA H 53 4.220 4.312 -0.092 1
1 450 . 7 1 1 A 53 53 ALA N N 53 123.517 124.029 -0.512 1
1 451 . 7 1 1 A 54 54 SER H H 54 7.929 8.612 -0.683 1
1 452 . 7 1 1 A 54 54 SER HA H 54 4.885 4.635 0.250 1
1 455 . 7 1 1 A 54 54 SER N N 54 112.613 116.859 -4.246 1
1 456 . 7 1 1 A 55 55 LYS H H 55 8.361 9.053 -0.692 1
1 457 . 7 1 1 A 55 55 LYS HA H 55 4.261 5.028 -0.767 1
1 466 . 7 1 1 A 55 55 LYS N N 55 126.198 127.168 -0.970 1
1 467 . 7 1 1 A 56 56 ASN H H 56 8.677 8.896 -0.219 1
1 468 . 7 1 1 A 56 56 ASN HA H 56 5.629 5.441 0.188 1
1 473 . 7 1 1 A 56 56 ASN N N 56 125.474 125.515 -0.041 1
1 475 . 7 1 1 A 57 57 VAL H H 57 9.071 8.860 0.211 1
1 476 . 7 1 1 A 57 57 VAL HA H 57 4.102 4.760 -0.658 1
1 484 . 7 1 1 A 57 57 VAL N N 57 122.842 125.735 -2.893 1
1 485 . 7 1 1 A 58 58 LEU H H 58 8.003 8.466 -0.463 1
1 486 . 7 1 1 A 58 58 LEU HA H 58 4.565 4.827 -0.262 1
1 496 . 7 1 1 A 58 58 LEU N N 58 126.427 128.718 -2.291 1
1 497 . 7 1 1 A 59 59 THR H H 59 8.729 8.723 0.006 1
1 498 . 7 1 1 A 59 59 THR HA H 59 4.018 4.006 0.012 1
1 503 . 7 1 1 A 59 59 THR N N 59 117.852 120.980 -3.128 1
1 504 . 7 1 1 A 60 60 THR H H 60 8.464 8.840 -0.376 1
1 505 . 7 1 1 A 60 60 THR HA H 60 4.152 4.447 -0.295 1
1 510 . 7 1 1 A 60 60 THR N N 60 110.875 121.237 -10.362 1
1 511 . 7 1 1 A 61 61 SER H H 61 7.518 7.807 -0.289 1
1 512 . 7 1 1 A 61 61 SER HA H 61 4.553 4.849 -0.296 1
1 515 . 7 1 1 A 61 61 SER N N 61 114.743 116.441 -1.698 1
1 516 . 7 1 1 A 62 62 GLU H H 62 8.363 8.500 -0.137 1
1 517 . 7 1 1 A 62 62 GLU HA H 62 4.045 5.143 -1.098 1
1 522 . 7 1 1 A 62 62 GLU N N 62 119.457 121.518 -2.061 1
1 523 . 7 1 1 A 63 63 PHE H H 63 8.539 9.335 -0.796 1
1 524 . 7 1 1 A 63 63 PHE HA H 63 4.512 4.963 -0.451 1
1 532 . 7 1 1 A 63 63 PHE N N 63 121.301 122.699 -1.398 1
1 533 . 7 1 1 A 64 64 TYR H H 64 9.648 9.092 0.556 1
1 534 . 7 1 1 A 64 64 TYR HA H 64 4.839 4.999 -0.160 1
1 541 . 7 1 1 A 64 64 TYR N N 64 119.292 120.375 -1.083 1
1 542 . 7 1 1 A 65 65 LEU H H 65 9.244 9.766 -0.522 1
1 543 . 7 1 1 A 65 65 LEU HA H 65 5.308 5.278 0.030 1
1 553 . 7 1 1 A 65 65 LEU N N 65 125.959 126.260 -0.301 1
1 554 . 7 1 1 A 66 66 SER H H 66 9.446 8.976 0.470 1
1 555 . 7 1 1 A 66 66 SER HA H 66 5.096 5.304 -0.208 1
1 558 . 7 1 1 A 66 66 SER N N 66 121.031 122.560 -1.529 1
1 559 . 7 1 1 A 67 67 ASP H H 67 9.348 9.708 -0.360 1
1 560 . 7 1 1 A 67 67 ASP HA H 67 5.459 4.976 0.483 1
1 563 . 7 1 1 A 67 67 ASP N N 67 125.532 127.009 -1.477 1
1 564 . 7 1 1 A 68 68 CYS H H 68 8.355 8.351 0.004 1
1 565 . 7 1 1 A 68 68 CYS HA H 68 5.131 5.284 -0.153 1
1 568 . 7 1 1 A 68 68 CYS N N 68 118.606 124.397 -5.791 1
1 569 . 7 1 1 A 69 69 ASN H H 69 8.586 8.891 -0.305 1
1 570 . 7 1 1 A 69 69 ASN HA H 69 5.471 5.136 0.335 1
1 575 . 7 1 1 A 69 69 ASN N N 69 121.731 123.148 -1.417 1
1 577 . 7 1 1 A 70 70 VAL H H 70 9.041 8.153 0.888 1
1 578 . 7 1 1 A 70 70 VAL HA H 70 3.446 4.312 -0.866 1
1 586 . 7 1 1 A 70 70 VAL N N 70 128.654 127.267 1.387 1
1 587 . 7 1 1 A 71 71 THR H H 71 8.073 8.288 -0.215 1
1 588 . 7 1 1 A 71 71 THR HA H 71 4.562 4.801 -0.239 1
1 593 . 7 1 1 A 71 71 THR N N 71 116.683 117.620 -0.937 1
1 594 . 7 1 1 A 72 72 SER H H 72 8.060 8.543 -0.483 1
1 595 . 7 1 1 A 72 72 SER HA H 72 4.102 4.258 -0.156 1
1 598 . 7 1 1 A 73 73 ARG H H 73 7.728 7.923 -0.195 1
1 599 . 7 1 1 A 73 73 ARG HA H 73 4.577 4.566 0.011 1
1 607 . 7 1 1 A 73 73 ARG N N 73 124.362 119.100 5.262 1
1 608 . 7 1 1 A 74 74 PRO HA H 74 3.845 4.289 -0.444 1
1 615 . 7 1 1 A 75 75 CYS H H 75 8.594 8.850 -0.256 1
1 616 . 7 1 1 A 75 75 CYS HA H 75 4.113 4.604 -0.491 1
1 619 . 7 1 1 A 75 75 CYS N N 75 120.291 120.440 -0.149 1
1 620 . 7 1 1 A 76 76 LYS H H 76 7.041 7.642 -0.601 1
1 621 . 7 1 1 A 76 76 LYS HA H 76 4.745 4.512 0.233 1
1 628 . 7 1 1 A 76 76 LYS N N 76 116.469 121.381 -4.912 1
1 629 . 7 1 1 A 77 77 TYR H H 77 9.907 8.262 1.645 1
1 630 . 7 1 1 A 77 77 TYR HA H 77 4.301 5.305 -1.004 1
1 637 . 7 1 1 A 77 77 TYR N N 77 123.774 120.570 3.204 1
1 638 . 7 1 1 A 78 78 LYS H H 78 8.852 8.771 0.081 1
1 639 . 7 1 1 A 78 78 LYS HA H 78 4.529 5.040 -0.511 1
1 651 . 7 1 1 A 78 78 LYS N N 78 120.664 119.330 1.334 1
1 652 . 7 1 1 A 79 79 LEU H H 79 8.392 8.451 -0.059 1
1 653 . 7 1 1 A 79 79 LEU HA H 79 5.259 4.685 0.574 1
1 663 . 7 1 1 A 79 79 LEU N N 79 126.842 123.442 3.400 1
1 664 . 7 1 1 A 80 80 LYS H H 80 9.300 8.560 0.740 1
1 665 . 7 1 1 A 80 80 LYS HA H 80 4.745 4.940 -0.195 1
1 672 . 7 1 1 A 80 80 LYS N N 80 128.617 127.202 1.415 1
1 673 . 7 1 1 A 81 81 LYS H H 81 9.242 9.054 0.188 1
1 674 . 7 1 1 A 81 81 LYS HA H 81 5.159 5.155 0.004 1
1 683 . 7 1 1 A 81 81 LYS N N 81 130.142 128.808 1.334 1
1 684 . 7 1 1 A 82 82 SER H H 82 8.828 9.161 -0.333 1
1 685 . 7 1 1 A 82 82 SER HA H 82 4.753 5.035 -0.282 1
1 688 . 7 1 1 A 82 82 SER N N 82 117.009 119.942 -2.933 1
1 689 . 7 1 1 A 83 83 THR H H 83 8.402 8.805 -0.403 1
1 690 . 7 1 1 A 83 83 THR HA H 83 5.374 5.749 -0.375 1
1 695 . 7 1 1 A 83 83 THR N N 83 115.259 119.369 -4.110 1
1 696 . 7 1 1 A 84 84 ASN H H 84 9.053 8.713 0.340 1
1 697 . 7 1 1 A 84 84 ASN HA H 84 4.863 5.235 -0.372 1
1 702 . 7 1 1 A 84 84 ASN N N 84 121.758 123.435 -1.677 1
1 704 . 7 1 1 A 85 85 LYS H H 85 8.837 8.424 0.413 1
1 705 . 7 1 1 A 85 85 LYS HA H 85 4.401 4.591 -0.190 1
1 712 . 7 1 1 A 85 85 LYS N N 85 120.865 122.146 -1.281 1
1 713 . 7 1 1 A 86 86 PHE H H 86 7.830 8.495 -0.665 1
1 714 . 7 1 1 A 86 86 PHE HA H 86 4.944 5.240 -0.296 1
1 722 . 7 1 1 A 86 86 PHE N N 86 114.090 116.998 -2.908 1
1 723 . 7 1 1 A 87 87 ALA H H 87 8.702 9.061 -0.359 1
1 724 . 7 1 1 A 87 87 ALA HA H 87 5.715 5.381 0.334 1
1 728 . 7 1 1 A 87 87 ALA N N 87 121.161 122.517 -1.356 1
1 729 . 7 1 1 A 88 88 VAL H H 88 8.472 8.791 -0.319 1
1 730 . 7 1 1 A 88 88 VAL HA H 88 4.918 5.036 -0.118 1
1 738 . 7 1 1 A 88 88 VAL N N 88 112.187 117.174 -4.987 1
1 739 . 7 1 1 A 89 89 THR H H 89 8.469 8.802 -0.333 1
1 740 . 7 1 1 A 89 89 THR HA H 89 4.760 5.442 -0.682 1
1 745 . 7 1 1 A 89 89 THR N N 89 118.002 117.410 0.592 1
1 746 . 7 1 1 A 90 90 CYS H H 90 9.106 9.422 -0.316 1
1 747 . 7 1 1 A 90 90 CYS HA H 90 5.049 5.877 -0.828 1
1 750 . 7 1 1 A 90 90 CYS N N 90 126.735 125.663 1.072 1
1 751 . 7 1 1 A 91 91 GLU H H 91 8.687 8.942 -0.255 1
1 752 . 7 1 1 A 91 91 GLU HA H 91 4.079 4.529 -0.450 1
1 757 . 7 1 1 A 91 91 GLU N N 91 118.639 122.171 -3.532 1
1 758 . 7 1 1 A 92 92 ASN H H 92 10.229 9.686 0.543 1
1 759 . 7 1 1 A 92 92 ASN HA H 92 4.237 4.378 -0.141 1
1 764 . 7 1 1 A 92 92 ASN N N 92 126.427 126.278 0.149 1
1 766 . 7 1 1 A 93 93 GLN H H 93 8.746 8.694 0.052 1
1 767 . 7 1 1 A 93 93 GLN HA H 93 3.939 3.902 0.037 1
1 774 . 7 1 1 A 93 93 GLN N N 93 105.324 109.194 -3.870 1
1 776 . 7 1 1 A 94 94 ALA H H 94 7.487 7.472 0.015 1
1 777 . 7 1 1 A 94 94 ALA HA H 94 4.313 4.504 -0.191 1
1 781 . 7 1 1 A 94 94 ALA N N 94 118.760 119.015 -0.255 1
1 782 . 7 1 1 A 95 95 PRO HA H 95 5.061 4.991 0.070 1
1 789 . 7 1 1 A 96 96 VAL H H 96 8.499 8.419 0.080 1
1 790 . 7 1 1 A 96 96 VAL HA H 96 4.443 4.408 0.035 1
1 798 . 7 1 1 A 96 96 VAL N N 96 108.711 119.393 -10.682 1
1 799 . 7 1 1 A 97 97 HIS H H 97 7.326 7.627 -0.301 1
1 800 . 7 1 1 A 97 97 HIS HA H 97 5.400 5.104 0.296 1
1 805 . 7 1 1 A 97 97 HIS N N 97 116.780 121.339 -4.559 1
1 806 . 7 1 1 A 98 98 PHE H H 98 8.120 8.748 -0.628 1
1 807 . 7 1 1 A 98 98 PHE HA H 98 4.430 4.765 -0.335 1
1 815 . 7 1 1 A 99 99 VAL H H 99 8.208 8.413 -0.205 1
1 816 . 7 1 1 A 99 99 VAL HA H 99 3.829 3.887 -0.058 1
1 824 . 7 1 1 A 99 99 VAL N N 99 129.253 127.417 1.836 1
1 825 . 7 1 1 A 100 100 GLY H H 100 6.578 6.274 0.304 1
1 826 . 7 1 1 A 100 100 GLY HA2 H 100 4.212 3.472 0.740 1
1 827 . 7 1 1 A 100 100 GLY HA3 H 100 3.921 3.766 0.155 1
1 828 . 7 1 1 A 100 100 GLY N N 100 104.609 105.449 -0.840 1
1 829 . 7 1 1 A 101 101 VAL H H 101 8.454 8.407 0.047 1
1 830 . 7 1 1 A 101 101 VAL HA H 101 4.371 4.651 -0.280 1
1 838 . 7 1 1 A 101 101 VAL N N 101 116.884 117.093 -0.209 1
1 839 . 7 1 1 A 102 102 GLY H H 102 8.333 8.481 -0.148 1
1 840 . 7 1 1 A 102 102 GLY HA2 H 102 3.945 4.165 -0.220 1
1 841 . 7 1 1 A 102 102 GLY HA3 H 102 3.641 4.186 -0.545 1
1 842 . 7 1 1 A 102 102 GLY N N 102 112.591 109.689 2.902 1
1 843 . 7 1 1 A 103 103 SER H H 103 7.904 8.370 -0.466 1
1 844 . 7 1 1 A 103 103 SER HA H 103 4.322 4.974 -0.652 1
1 847 . 7 1 1 A 103 103 SER N N 103 114.061 113.361 0.700 1
1 13 . 8 1 1 A 3 3 TRP H H 3 9.300 9.148 0.152 1
1 14 . 8 1 1 A 3 3 TRP HA H 3 5.398 4.324 1.074 1
1 23 . 8 1 1 A 3 3 TRP N N 3 123.555 121.678 1.877 1
1 25 . 8 1 1 A 4 4 LEU H H 4 8.275 8.348 -0.073 1
1 26 . 8 1 1 A 4 4 LEU HA H 4 3.677 3.857 -0.180 1
1 36 . 8 1 1 A 4 4 LEU N N 4 120.894 120.640 0.254 1
1 37 . 8 1 1 A 5 5 THR H H 5 8.719 8.062 0.657 1
1 38 . 8 1 1 A 5 5 THR HA H 5 3.799 4.055 -0.256 1
1 43 . 8 1 1 A 5 5 THR N N 5 117.567 114.638 2.929 1
1 44 . 8 1 1 A 6 6 PHE H H 6 8.735 8.885 -0.150 1
1 45 . 8 1 1 A 6 6 PHE HA H 6 4.139 4.100 0.039 1
1 53 . 8 1 1 A 6 6 PHE N N 6 122.982 121.460 1.522 1
1 54 . 8 1 1 A 7 7 GLN H H 7 8.053 7.928 0.125 1
1 55 . 8 1 1 A 7 7 GLN HA H 7 3.456 3.369 0.087 1
1 62 . 8 1 1 A 7 7 GLN N N 7 117.062 118.329 -1.267 1
1 64 . 8 1 1 A 8 8 LYS H H 8 7.366 7.505 -0.139 1
1 65 . 8 1 1 A 8 8 LYS HA H 8 3.845 3.984 -0.139 1
1 77 . 8 1 1 A 8 8 LYS N N 8 117.944 120.624 -2.680 1
1 78 . 8 1 1 A 9 9 LYS H H 9 7.996 7.414 0.582 1
1 79 . 8 1 1 A 9 9 LYS HA H 9 3.969 4.048 -0.079 1
1 86 . 8 1 1 A 9 9 LYS N N 9 115.014 118.839 -3.825 1
1 87 . 8 1 1 A 10 10 HIS H H 10 7.785 7.978 -0.193 1
1 88 . 8 1 1 A 10 10 HIS HA H 10 4.536 4.752 -0.216 1
1 93 . 8 1 1 A 10 10 HIS N N 10 107.185 113.779 -6.594 1
1 94 . 8 1 1 A 11 11 ILE H H 11 8.179 7.152 1.027 1
1 95 . 8 1 1 A 11 11 ILE HA H 11 5.064 4.347 0.717 1
1 105 . 8 1 1 A 11 11 ILE N N 11 121.378 119.301 2.077 1
1 106 . 8 1 1 A 12 12 THR H H 12 8.546 8.976 -0.430 1
1 107 . 8 1 1 A 12 12 THR HA H 12 5.002 4.861 0.141 1
1 112 . 8 1 1 A 12 12 THR N N 12 120.322 121.664 -1.342 1
1 113 . 8 1 1 A 13 13 ASN H H 13 8.263 8.861 -0.598 1
1 114 . 8 1 1 A 13 13 ASN HA H 13 4.827 4.755 0.072 1
1 119 . 8 1 1 A 13 13 ASN N N 13 123.517 123.526 -0.009 1
1 121 . 8 1 1 A 14 14 THR H H 14 7.878 7.298 0.580 1
1 122 . 8 1 1 A 14 14 THR HA H 14 4.395 4.600 -0.205 1
1 127 . 8 1 1 A 14 14 THR N N 14 113.563 113.502 0.061 1
1 128 . 8 1 1 A 15 15 ARG H H 15 8.545 8.647 -0.102 1
1 129 . 8 1 1 A 15 15 ARG HA H 15 3.448 3.830 -0.382 1
1 137 . 8 1 1 A 15 15 ARG N N 15 126.331 128.558 -2.227 1
1 138 . 8 1 1 A 16 16 ASP H H 16 7.846 7.099 0.747 1
1 139 . 8 1 1 A 16 16 ASP HA H 16 4.512 4.730 -0.218 1
1 142 . 8 1 1 A 16 16 ASP N N 16 121.932 118.285 3.647 1
1 143 . 8 1 1 A 17 17 VAL H H 17 6.499 7.576 -1.077 1
1 144 . 8 1 1 A 17 17 VAL HA H 17 2.954 4.134 -1.180 1
1 152 . 8 1 1 A 17 17 VAL N N 17 121.499 120.877 0.622 1
1 153 . 8 1 1 A 18 18 ASP H H 18 8.566 8.580 -0.014 1
1 154 . 8 1 1 A 18 18 ASP HA H 18 4.524 4.627 -0.103 1
1 157 . 8 1 1 A 18 18 ASP N N 18 127.059 129.003 -1.944 1
1 158 . 8 1 1 A 19 19 CYS H H 19 7.838 8.430 -0.592 1
1 159 . 8 1 1 A 19 19 CYS HA H 19 3.556 4.198 -0.642 1
1 162 . 8 1 1 A 19 19 CYS N N 19 120.870 124.737 -3.867 1
1 163 . 8 1 1 A 20 20 ASP H H 20 8.819 8.342 0.477 1
1 164 . 8 1 1 A 20 20 ASP HA H 20 4.298 4.508 -0.210 1
1 167 . 8 1 1 A 20 20 ASP N N 20 118.657 121.216 -2.559 1
1 168 . 8 1 1 A 21 21 ASN H H 21 6.997 8.194 -1.197 1
1 169 . 8 1 1 A 21 21 ASN HA H 21 4.589 4.630 -0.041 1
1 174 . 8 1 1 A 21 21 ASN N N 21 114.544 115.422 -0.878 1
1 176 . 8 1 1 A 22 22 ILE H H 22 7.844 8.018 -0.174 1
1 177 . 8 1 1 A 22 22 ILE HA H 22 3.957 3.643 0.314 1
1 187 . 8 1 1 A 22 22 ILE N N 22 119.569 120.904 -1.335 1
1 188 . 8 1 1 A 23 23 MET H H 23 8.494 7.843 0.651 1
1 189 . 8 1 1 A 23 23 MET HA H 23 4.138 4.233 -0.095 1
1 194 . 8 1 1 A 23 23 MET N N 23 117.955 119.617 -1.662 1
1 195 . 8 1 1 A 24 24 SER H H 24 7.101 7.842 -0.741 1
1 196 . 8 1 1 A 24 24 SER HA H 24 4.114 4.381 -0.267 1
1 199 . 8 1 1 A 24 24 SER N N 24 108.759 114.822 -6.063 1
1 200 . 8 1 1 A 25 25 THR H H 25 7.455 7.797 -0.342 1
1 201 . 8 1 1 A 25 25 THR HA H 25 4.553 4.428 0.125 1
1 206 . 8 1 1 A 25 25 THR N N 25 113.003 115.869 -2.866 1
1 207 . 8 1 1 A 26 26 ASN H H 26 7.468 9.167 -1.699 1
1 208 . 8 1 1 A 26 26 ASN HA H 26 4.070 4.559 -0.489 1
1 213 . 8 1 1 A 26 26 ASN N N 26 117.889 125.888 -7.999 1
1 215 . 8 1 1 A 27 27 LEU H H 27 7.379 7.948 -0.569 1
1 216 . 8 1 1 A 27 27 LEU HA H 27 3.763 4.057 -0.294 1
1 226 . 8 1 1 A 27 27 LEU N N 27 117.538 121.155 -3.617 1
1 227 . 8 1 1 A 28 28 PHE H H 28 6.693 8.127 -1.434 1
1 228 . 8 1 1 A 28 28 PHE HA H 28 4.334 4.592 -0.258 1
1 236 . 8 1 1 A 28 28 PHE N N 28 113.427 114.317 -0.890 1
1 237 . 8 1 1 A 29 29 HIS H H 29 8.798 8.779 0.019 1
1 238 . 8 1 1 A 29 29 HIS HA H 29 4.249 4.160 0.089 1
1 243 . 8 1 1 A 29 29 HIS N N 29 114.076 116.804 -2.728 1
1 244 . 8 1 1 A 30 30 CYS H H 30 9.153 8.530 0.623 1
1 245 . 8 1 1 A 30 30 CYS HA H 30 4.512 4.292 0.220 1
1 248 . 8 1 1 A 30 30 CYS N N 30 109.137 115.964 -6.827 1
1 249 . 8 1 1 A 31 31 LYS H H 31 7.521 7.843 -0.322 1
1 250 . 8 1 1 A 31 31 LYS HA H 31 4.334 4.493 -0.159 1
1 262 . 8 1 1 A 31 31 LYS N N 31 117.016 117.547 -0.531 1
1 263 . 8 1 1 A 32 32 ASP H H 32 8.496 8.625 -0.129 1
1 264 . 8 1 1 A 32 32 ASP HA H 32 4.139 4.549 -0.410 1
1 267 . 8 1 1 A 32 32 ASP N N 32 120.267 121.513 -1.246 1
1 268 . 8 1 1 A 33 33 LYS H H 33 7.519 7.617 -0.098 1
1 269 . 8 1 1 A 33 33 LYS HA H 33 5.563 5.179 0.384 1
1 281 . 8 1 1 A 33 33 LYS N N 33 114.737 112.918 1.819 1
1 282 . 8 1 1 A 34 34 ASN H H 34 7.794 8.473 -0.679 1
1 283 . 8 1 1 A 34 34 ASN HA H 34 4.477 5.021 -0.544 1
1 288 . 8 1 1 A 34 34 ASN N N 34 116.413 118.121 -1.708 1
1 290 . 8 1 1 A 35 35 THR H H 35 7.819 8.713 -0.894 1
1 291 . 8 1 1 A 35 35 THR HA H 35 4.454 4.366 0.088 1
1 296 . 8 1 1 A 35 35 THR N N 35 122.595 121.649 0.946 1
1 297 . 8 1 1 A 36 36 PHE H H 36 9.192 7.316 1.876 1
1 298 . 8 1 1 A 36 36 PHE HA H 36 4.465 4.917 -0.452 1
1 306 . 8 1 1 A 36 36 PHE N N 36 125.174 123.058 2.116 1
1 307 . 8 1 1 A 37 37 ILE H H 37 9.389 9.179 0.210 1
1 308 . 8 1 1 A 37 37 ILE HA H 37 4.197 4.514 -0.317 1
1 318 . 8 1 1 A 37 37 ILE N N 37 122.998 122.477 0.521 1
1 319 . 8 1 1 A 38 38 TYR H H 38 8.959 9.154 -0.195 1
1 320 . 8 1 1 A 38 38 TYR HA H 38 5.341 5.602 -0.261 1
1 327 . 8 1 1 A 38 38 TYR N N 38 129.369 129.877 -0.508 1
1 328 . 8 1 1 A 39 39 SER H H 39 7.608 8.032 -0.424 1
1 329 . 8 1 1 A 39 39 SER HA H 39 4.298 4.623 -0.325 1
1 332 . 8 1 1 A 39 39 SER N N 39 121.061 123.595 -2.534 1
1 333 . 8 1 1 A 40 40 ARG H H 40 8.441 8.533 -0.092 1
1 334 . 8 1 1 A 40 40 ARG HA H 40 4.633 4.604 0.029 1
1 342 . 8 1 1 A 40 40 ARG N N 40 123.846 121.815 2.031 1
1 343 . 8 1 1 A 41 41 PRO HA H 41 3.881 4.363 -0.482 1
1 350 . 8 1 1 A 42 42 GLU H H 42 9.361 8.435 0.926 1
1 351 . 8 1 1 A 42 42 GLU HA H 42 4.103 4.329 -0.226 1
1 356 . 8 1 1 A 42 42 GLU N N 42 118.394 118.236 0.158 1
1 357 . 8 1 1 A 43 43 PRO HA H 43 4.371 4.471 -0.100 1
1 364 . 8 1 1 A 44 44 VAL H H 44 6.810 7.031 -0.221 1
1 365 . 8 1 1 A 44 44 VAL HA H 44 3.823 3.786 0.037 1
1 373 . 8 1 1 A 44 44 VAL N N 44 116.005 116.625 -0.620 1
1 374 . 8 1 1 A 45 45 LYS H H 45 8.399 8.403 -0.004 1
1 375 . 8 1 1 A 45 45 LYS HA H 45 2.748 3.897 -1.149 1
1 382 . 8 1 1 A 45 45 LYS N N 45 121.531 120.681 0.850 1
1 383 . 8 1 1 A 46 46 ALA H H 46 7.601 8.026 -0.425 1
1 384 . 8 1 1 A 46 46 ALA HA H 46 3.823 4.079 -0.256 1
1 388 . 8 1 1 A 46 46 ALA N N 46 115.333 121.223 -5.890 1
1 389 . 8 1 1 A 47 47 ILE H H 47 7.345 7.760 -0.415 1
1 390 . 8 1 1 A 47 47 ILE HA H 47 3.592 3.600 -0.008 1
1 400 . 8 1 1 A 47 47 ILE N N 47 119.605 118.615 0.990 1
1 401 . 8 1 1 A 48 48 CYS H H 48 7.094 7.926 -0.832 1
1 402 . 8 1 1 A 48 48 CYS HA H 48 4.589 4.735 -0.146 1
1 405 . 8 1 1 A 48 48 CYS N N 48 111.804 115.590 -3.786 1
1 406 . 8 1 1 A 49 49 LYS H H 49 7.223 7.194 0.029 1
1 407 . 8 1 1 A 49 49 LYS HA H 49 3.787 3.872 -0.085 1
1 416 . 8 1 1 A 49 49 LYS N N 49 123.849 123.334 0.515 1
1 417 . 8 1 1 A 50 50 GLY H H 50 9.126 8.964 0.162 1
1 418 . 8 1 1 A 50 50 GLY HA2 H 50 4.018 3.934 0.084 1
1 419 . 8 1 1 A 50 50 GLY HA3 H 50 3.398 3.936 -0.538 1
1 420 . 8 1 1 A 50 50 GLY N N 50 114.134 114.678 -0.544 1
1 421 . 8 1 1 A 51 51 ILE H H 51 7.759 7.964 -0.205 1
1 422 . 8 1 1 A 51 51 ILE HA H 51 3.904 4.128 -0.224 1
1 432 . 8 1 1 A 51 51 ILE N N 51 122.336 122.612 -0.276 1
1 433 . 8 1 1 A 52 52 ILE H H 52 8.204 8.828 -0.624 1
1 434 . 8 1 1 A 52 52 ILE HA H 52 3.706 4.261 -0.555 1
1 444 . 8 1 1 A 52 52 ILE N N 52 128.010 129.063 -1.053 1
1 445 . 8 1 1 A 53 53 ALA H H 53 7.722 7.663 0.059 1
1 446 . 8 1 1 A 53 53 ALA HA H 53 4.220 4.367 -0.147 1
1 450 . 8 1 1 A 53 53 ALA N N 53 123.517 125.219 -1.702 1
1 451 . 8 1 1 A 54 54 SER H H 54 7.929 8.503 -0.574 1
1 452 . 8 1 1 A 54 54 SER HA H 54 4.885 5.247 -0.362 1
1 455 . 8 1 1 A 54 54 SER N N 54 112.613 115.131 -2.518 1
1 456 . 8 1 1 A 55 55 LYS H H 55 8.361 8.411 -0.050 1
1 457 . 8 1 1 A 55 55 LYS HA H 55 4.261 4.990 -0.729 1
1 466 . 8 1 1 A 55 55 LYS N N 55 126.198 122.765 3.433 1
1 467 . 8 1 1 A 56 56 ASN H H 56 8.677 8.577 0.100 1
1 468 . 8 1 1 A 56 56 ASN HA H 56 5.629 5.059 0.570 1
1 473 . 8 1 1 A 56 56 ASN N N 56 125.474 118.835 6.639 1
1 475 . 8 1 1 A 57 57 VAL H H 57 9.071 9.408 -0.337 1
1 476 . 8 1 1 A 57 57 VAL HA H 57 4.102 4.734 -0.632 1
1 484 . 8 1 1 A 57 57 VAL N N 57 122.842 122.598 0.244 1
1 485 . 8 1 1 A 58 58 LEU H H 58 8.003 8.794 -0.791 1
1 486 . 8 1 1 A 58 58 LEU HA H 58 4.565 5.004 -0.439 1
1 496 . 8 1 1 A 58 58 LEU N N 58 126.427 127.653 -1.226 1
1 497 . 8 1 1 A 59 59 THR H H 59 8.729 9.051 -0.322 1
1 498 . 8 1 1 A 59 59 THR HA H 59 4.018 3.985 0.033 1
1 503 . 8 1 1 A 59 59 THR N N 59 117.852 119.779 -1.927 1
1 504 . 8 1 1 A 60 60 THR H H 60 8.464 8.683 -0.219 1
1 505 . 8 1 1 A 60 60 THR HA H 60 4.152 4.311 -0.159 1
1 510 . 8 1 1 A 60 60 THR N N 60 110.875 117.870 -6.995 1
1 511 . 8 1 1 A 61 61 SER H H 61 7.518 7.999 -0.481 1
1 512 . 8 1 1 A 61 61 SER HA H 61 4.553 4.897 -0.344 1
1 515 . 8 1 1 A 61 61 SER N N 61 114.743 114.395 0.348 1
1 516 . 8 1 1 A 62 62 GLU H H 62 8.363 8.693 -0.330 1
1 517 . 8 1 1 A 62 62 GLU HA H 62 4.045 5.221 -1.176 1
1 522 . 8 1 1 A 62 62 GLU N N 62 119.457 118.859 0.598 1
1 523 . 8 1 1 A 63 63 PHE H H 63 8.539 9.545 -1.006 1
1 524 . 8 1 1 A 63 63 PHE HA H 63 4.512 5.056 -0.544 1
1 532 . 8 1 1 A 63 63 PHE N N 63 121.301 122.502 -1.201 1
1 533 . 8 1 1 A 64 64 TYR H H 64 9.648 9.150 0.498 1
1 534 . 8 1 1 A 64 64 TYR HA H 64 4.839 4.968 -0.129 1
1 541 . 8 1 1 A 64 64 TYR N N 64 119.292 120.361 -1.069 1
1 542 . 8 1 1 A 65 65 LEU H H 65 9.244 9.519 -0.275 1
1 543 . 8 1 1 A 65 65 LEU HA H 65 5.308 5.308 0.000 1
1 553 . 8 1 1 A 65 65 LEU N N 65 125.959 126.166 -0.207 1
1 554 . 8 1 1 A 66 66 SER H H 66 9.446 9.030 0.416 1
1 555 . 8 1 1 A 66 66 SER HA H 66 5.096 5.182 -0.086 1
1 558 . 8 1 1 A 66 66 SER N N 66 121.031 122.670 -1.639 1
1 559 . 8 1 1 A 67 67 ASP H H 67 9.348 9.750 -0.402 1
1 560 . 8 1 1 A 67 67 ASP HA H 67 5.459 5.053 0.406 1
1 563 . 8 1 1 A 67 67 ASP N N 67 125.532 126.810 -1.278 1
1 564 . 8 1 1 A 68 68 CYS H H 68 8.355 8.773 -0.418 1
1 565 . 8 1 1 A 68 68 CYS HA H 68 5.131 5.299 -0.168 1
1 568 . 8 1 1 A 68 68 CYS N N 68 118.606 123.227 -4.621 1
1 569 . 8 1 1 A 69 69 ASN H H 69 8.586 8.875 -0.289 1
1 570 . 8 1 1 A 69 69 ASN HA H 69 5.471 5.227 0.244 1
1 575 . 8 1 1 A 69 69 ASN N N 69 121.731 124.168 -2.437 1
1 577 . 8 1 1 A 70 70 VAL H H 70 9.041 8.867 0.174 1
1 578 . 8 1 1 A 70 70 VAL HA H 70 3.446 4.514 -1.068 1
1 586 . 8 1 1 A 70 70 VAL N N 70 128.654 127.517 1.137 1
1 587 . 8 1 1 A 71 71 THR H H 71 8.073 8.216 -0.143 1
1 588 . 8 1 1 A 71 71 THR HA H 71 4.562 4.810 -0.248 1
1 593 . 8 1 1 A 71 71 THR N N 71 116.683 117.738 -1.055 1
1 594 . 8 1 1 A 72 72 SER H H 72 8.060 8.848 -0.788 1
1 595 . 8 1 1 A 72 72 SER HA H 72 4.102 4.336 -0.234 1
1 598 . 8 1 1 A 73 73 ARG H H 73 7.728 7.657 0.071 1
1 599 . 8 1 1 A 73 73 ARG HA H 73 4.577 4.492 0.085 1
1 607 . 8 1 1 A 73 73 ARG N N 73 124.362 120.045 4.317 1
1 608 . 8 1 1 A 74 74 PRO HA H 74 3.845 4.235 -0.390 1
1 615 . 8 1 1 A 75 75 CYS H H 75 8.594 8.686 -0.092 1
1 616 . 8 1 1 A 75 75 CYS HA H 75 4.113 4.222 -0.109 1
1 619 . 8 1 1 A 75 75 CYS N N 75 120.291 120.794 -0.503 1
1 620 . 8 1 1 A 76 76 LYS H H 76 7.041 7.534 -0.493 1
1 621 . 8 1 1 A 76 76 LYS HA H 76 4.745 4.354 0.391 1
1 628 . 8 1 1 A 76 76 LYS N N 76 116.469 120.586 -4.117 1
1 629 . 8 1 1 A 77 77 TYR H H 77 9.907 8.658 1.249 1
1 630 . 8 1 1 A 77 77 TYR HA H 77 4.301 5.344 -1.043 1
1 637 . 8 1 1 A 77 77 TYR N N 77 123.774 118.779 4.995 1
1 638 . 8 1 1 A 78 78 LYS H H 78 8.852 8.790 0.062 1
1 639 . 8 1 1 A 78 78 LYS HA H 78 4.529 4.963 -0.434 1
1 651 . 8 1 1 A 78 78 LYS N N 78 120.664 119.125 1.539 1
1 652 . 8 1 1 A 79 79 LEU H H 79 8.392 8.480 -0.088 1
1 653 . 8 1 1 A 79 79 LEU HA H 79 5.259 4.730 0.529 1
1 663 . 8 1 1 A 79 79 LEU N N 79 126.842 124.138 2.704 1
1 664 . 8 1 1 A 80 80 LYS H H 80 9.300 8.850 0.450 1
1 665 . 8 1 1 A 80 80 LYS HA H 80 4.745 4.882 -0.137 1
1 672 . 8 1 1 A 80 80 LYS N N 80 128.617 126.893 1.724 1
1 673 . 8 1 1 A 81 81 LYS H H 81 9.242 9.154 0.088 1
1 674 . 8 1 1 A 81 81 LYS HA H 81 5.159 5.086 0.073 1
1 683 . 8 1 1 A 81 81 LYS N N 81 130.142 128.950 1.192 1
1 684 . 8 1 1 A 82 82 SER H H 82 8.828 9.146 -0.318 1
1 685 . 8 1 1 A 82 82 SER HA H 82 4.753 4.951 -0.198 1
1 688 . 8 1 1 A 82 82 SER N N 82 117.009 121.375 -4.366 1
1 689 . 8 1 1 A 83 83 THR H H 83 8.402 8.535 -0.133 1
1 690 . 8 1 1 A 83 83 THR HA H 83 5.374 5.672 -0.298 1
1 695 . 8 1 1 A 83 83 THR N N 83 115.259 116.702 -1.443 1
1 696 . 8 1 1 A 84 84 ASN H H 84 9.053 8.882 0.171 1
1 697 . 8 1 1 A 84 84 ASN HA H 84 4.863 5.268 -0.405 1
1 702 . 8 1 1 A 84 84 ASN N N 84 121.758 123.313 -1.555 1
1 704 . 8 1 1 A 85 85 LYS H H 85 8.837 8.404 0.433 1
1 705 . 8 1 1 A 85 85 LYS HA H 85 4.401 4.836 -0.435 1
1 712 . 8 1 1 A 85 85 LYS N N 85 120.865 118.812 2.053 1
1 713 . 8 1 1 A 86 86 PHE H H 86 7.830 8.432 -0.602 1
1 714 . 8 1 1 A 86 86 PHE HA H 86 4.944 5.350 -0.406 1
1 722 . 8 1 1 A 86 86 PHE N N 86 114.090 116.394 -2.304 1
1 723 . 8 1 1 A 87 87 ALA H H 87 8.702 8.643 0.059 1
1 724 . 8 1 1 A 87 87 ALA HA H 87 5.715 5.604 0.111 1
1 728 . 8 1 1 A 87 87 ALA N N 87 121.161 121.743 -0.582 1
1 729 . 8 1 1 A 88 88 VAL H H 88 8.472 8.986 -0.514 1
1 730 . 8 1 1 A 88 88 VAL HA H 88 4.918 4.962 -0.044 1
1 738 . 8 1 1 A 88 88 VAL N N 88 112.187 116.768 -4.581 1
1 739 . 8 1 1 A 89 89 THR H H 89 8.469 9.119 -0.650 1
1 740 . 8 1 1 A 89 89 THR HA H 89 4.760 4.762 -0.002 1
1 745 . 8 1 1 A 89 89 THR N N 89 118.002 118.438 -0.436 1
1 746 . 8 1 1 A 90 90 CYS H H 90 9.106 8.888 0.218 1
1 747 . 8 1 1 A 90 90 CYS HA H 90 5.049 5.772 -0.723 1
1 750 . 8 1 1 A 90 90 CYS N N 90 126.735 125.051 1.684 1
1 751 . 8 1 1 A 91 91 GLU H H 91 8.687 8.868 -0.181 1
1 752 . 8 1 1 A 91 91 GLU HA H 91 4.079 4.571 -0.492 1
1 757 . 8 1 1 A 91 91 GLU N N 91 118.639 122.414 -3.775 1
1 758 . 8 1 1 A 92 92 ASN H H 92 10.229 9.832 0.397 1
1 759 . 8 1 1 A 92 92 ASN HA H 92 4.237 4.385 -0.148 1
1 764 . 8 1 1 A 92 92 ASN N N 92 126.427 125.690 0.737 1
1 766 . 8 1 1 A 93 93 GLN H H 93 8.746 8.636 0.110 1
1 767 . 8 1 1 A 93 93 GLN HA H 93 3.939 3.903 0.036 1
1 774 . 8 1 1 A 93 93 GLN N N 93 105.324 109.184 -3.860 1
1 776 . 8 1 1 A 94 94 ALA H H 94 7.487 7.368 0.119 1
1 777 . 8 1 1 A 94 94 ALA HA H 94 4.313 4.550 -0.237 1
1 781 . 8 1 1 A 94 94 ALA N N 94 118.760 120.218 -1.458 1
1 782 . 8 1 1 A 95 95 PRO HA H 95 5.061 4.856 0.205 1
1 789 . 8 1 1 A 96 96 VAL H H 96 8.499 8.520 -0.021 1
1 790 . 8 1 1 A 96 96 VAL HA H 96 4.443 4.374 0.069 1
1 798 . 8 1 1 A 96 96 VAL N N 96 108.711 115.217 -6.506 1
1 799 . 8 1 1 A 97 97 HIS H H 97 7.326 7.109 0.217 1
1 800 . 8 1 1 A 97 97 HIS HA H 97 5.400 5.236 0.164 1
1 805 . 8 1 1 A 97 97 HIS N N 97 116.780 120.304 -3.524 1
1 806 . 8 1 1 A 98 98 PHE H H 98 8.120 8.936 -0.816 1
1 807 . 8 1 1 A 98 98 PHE HA H 98 4.430 4.616 -0.186 1
1 815 . 8 1 1 A 99 99 VAL H H 99 8.208 8.700 -0.492 1
1 816 . 8 1 1 A 99 99 VAL HA H 99 3.829 3.771 0.058 1
1 824 . 8 1 1 A 99 99 VAL N N 99 129.253 126.825 2.428 1
1 825 . 8 1 1 A 100 100 GLY H H 100 6.578 6.119 0.459 1
1 826 . 8 1 1 A 100 100 GLY HA2 H 100 4.212 3.654 0.558 1
1 827 . 8 1 1 A 100 100 GLY HA3 H 100 3.921 3.818 0.103 1
1 828 . 8 1 1 A 100 100 GLY N N 100 104.609 105.013 -0.404 1
1 829 . 8 1 1 A 101 101 VAL H H 101 8.454 8.417 0.037 1
1 830 . 8 1 1 A 101 101 VAL HA H 101 4.371 4.664 -0.293 1
1 838 . 8 1 1 A 101 101 VAL N N 101 116.884 116.869 0.015 1
1 839 . 8 1 1 A 102 102 GLY H H 102 8.333 8.644 -0.311 1
1 840 . 8 1 1 A 102 102 GLY HA2 H 102 3.945 4.188 -0.243 1
1 841 . 8 1 1 A 102 102 GLY HA3 H 102 3.641 4.200 -0.559 1
1 842 . 8 1 1 A 102 102 GLY N N 102 112.591 110.523 2.068 1
1 843 . 8 1 1 A 103 103 SER H H 103 7.904 8.472 -0.568 1
1 844 . 8 1 1 A 103 103 SER HA H 103 4.322 5.416 -1.094 1
1 847 . 8 1 1 A 103 103 SER N N 103 114.061 117.376 -3.315 1
1 13 . 9 1 1 A 3 3 TRP H H 3 9.300 9.108 0.192 1
1 14 . 9 1 1 A 3 3 TRP HA H 3 5.398 4.330 1.068 1
1 23 . 9 1 1 A 3 3 TRP N N 3 123.555 124.255 -0.700 1
1 25 . 9 1 1 A 4 4 LEU H H 4 8.275 8.097 0.178 1
1 26 . 9 1 1 A 4 4 LEU HA H 4 3.677 3.804 -0.127 1
1 36 . 9 1 1 A 4 4 LEU N N 4 120.894 120.634 0.260 1
1 37 . 9 1 1 A 5 5 THR H H 5 8.719 8.093 0.626 1
1 38 . 9 1 1 A 5 5 THR HA H 5 3.799 4.044 -0.245 1
1 43 . 9 1 1 A 5 5 THR N N 5 117.567 114.982 2.585 1
1 44 . 9 1 1 A 6 6 PHE H H 6 8.735 8.730 0.005 1
1 45 . 9 1 1 A 6 6 PHE HA H 6 4.139 4.074 0.065 1
1 53 . 9 1 1 A 6 6 PHE N N 6 122.982 121.724 1.258 1
1 54 . 9 1 1 A 7 7 GLN H H 7 8.053 8.075 -0.022 1
1 55 . 9 1 1 A 7 7 GLN HA H 7 3.456 3.340 0.116 1
1 62 . 9 1 1 A 7 7 GLN N N 7 117.062 117.974 -0.912 1
1 64 . 9 1 1 A 8 8 LYS H H 8 7.366 7.565 -0.199 1
1 65 . 9 1 1 A 8 8 LYS HA H 8 3.845 4.007 -0.162 1
1 77 . 9 1 1 A 8 8 LYS N N 8 117.944 120.452 -2.508 1
1 78 . 9 1 1 A 9 9 LYS H H 9 7.996 7.462 0.534 1
1 79 . 9 1 1 A 9 9 LYS HA H 9 3.969 3.916 0.053 1
1 86 . 9 1 1 A 9 9 LYS N N 9 115.014 117.915 -2.901 1
1 87 . 9 1 1 A 10 10 HIS H H 10 7.785 8.106 -0.321 1
1 88 . 9 1 1 A 10 10 HIS HA H 10 4.536 4.768 -0.232 1
1 93 . 9 1 1 A 10 10 HIS N N 10 107.185 110.666 -3.481 1
1 94 . 9 1 1 A 11 11 ILE H H 11 8.179 7.403 0.776 1
1 95 . 9 1 1 A 11 11 ILE HA H 11 5.064 4.503 0.561 1
1 105 . 9 1 1 A 11 11 ILE N N 11 121.378 121.319 0.059 1
1 106 . 9 1 1 A 12 12 THR H H 12 8.546 8.774 -0.228 1
1 107 . 9 1 1 A 12 12 THR HA H 12 5.002 4.892 0.110 1
1 112 . 9 1 1 A 12 12 THR N N 12 120.322 119.274 1.048 1
1 113 . 9 1 1 A 13 13 ASN H H 13 8.263 8.751 -0.488 1
1 114 . 9 1 1 A 13 13 ASN HA H 13 4.827 4.873 -0.046 1
1 119 . 9 1 1 A 13 13 ASN N N 13 123.517 123.832 -0.315 1
1 121 . 9 1 1 A 14 14 THR H H 14 7.878 7.338 0.540 1
1 122 . 9 1 1 A 14 14 THR HA H 14 4.395 4.605 -0.210 1
1 127 . 9 1 1 A 14 14 THR N N 14 113.563 112.879 0.684 1
1 128 . 9 1 1 A 15 15 ARG H H 15 8.545 8.607 -0.062 1
1 129 . 9 1 1 A 15 15 ARG HA H 15 3.448 3.554 -0.106 1
1 137 . 9 1 1 A 15 15 ARG N N 15 126.331 125.950 0.381 1
1 138 . 9 1 1 A 16 16 ASP H H 16 7.846 7.710 0.136 1
1 139 . 9 1 1 A 16 16 ASP HA H 16 4.512 4.809 -0.297 1
1 142 . 9 1 1 A 16 16 ASP N N 16 121.932 118.503 3.429 1
1 143 . 9 1 1 A 17 17 VAL H H 17 6.499 8.368 -1.869 1
1 144 . 9 1 1 A 17 17 VAL HA H 17 2.954 4.203 -1.249 1
1 152 . 9 1 1 A 17 17 VAL N N 17 121.499 124.583 -3.084 1
1 153 . 9 1 1 A 18 18 ASP H H 18 8.566 8.744 -0.178 1
1 154 . 9 1 1 A 18 18 ASP HA H 18 4.524 4.658 -0.134 1
1 157 . 9 1 1 A 18 18 ASP N N 18 127.059 126.664 0.395 1
1 158 . 9 1 1 A 19 19 CYS H H 19 7.838 8.796 -0.958 1
1 159 . 9 1 1 A 19 19 CYS HA H 19 3.556 4.049 -0.493 1
1 162 . 9 1 1 A 19 19 CYS N N 19 120.870 118.743 2.127 1
1 163 . 9 1 1 A 20 20 ASP H H 20 8.819 8.275 0.544 1
1 164 . 9 1 1 A 20 20 ASP HA H 20 4.298 3.692 0.606 1
1 167 . 9 1 1 A 20 20 ASP N N 20 118.657 121.227 -2.570 1
1 168 . 9 1 1 A 21 21 ASN H H 21 6.997 7.520 -0.523 1
1 169 . 9 1 1 A 21 21 ASN HA H 21 4.589 4.543 0.046 1
1 174 . 9 1 1 A 21 21 ASN N N 21 114.544 114.848 -0.304 1
1 176 . 9 1 1 A 22 22 ILE H H 22 7.844 8.232 -0.388 1
1 177 . 9 1 1 A 22 22 ILE HA H 22 3.957 3.719 0.238 1
1 187 . 9 1 1 A 22 22 ILE N N 22 119.569 120.732 -1.163 1
1 188 . 9 1 1 A 23 23 MET H H 23 8.494 8.057 0.437 1
1 189 . 9 1 1 A 23 23 MET HA H 23 4.138 4.253 -0.115 1
1 194 . 9 1 1 A 23 23 MET N N 23 117.955 119.525 -1.570 1
1 195 . 9 1 1 A 24 24 SER H H 24 7.101 7.643 -0.542 1
1 196 . 9 1 1 A 24 24 SER HA H 24 4.114 4.541 -0.427 1
1 199 . 9 1 1 A 24 24 SER N N 24 108.759 114.114 -5.355 1
1 200 . 9 1 1 A 25 25 THR H H 25 7.455 7.733 -0.278 1
1 201 . 9 1 1 A 25 25 THR HA H 25 4.553 4.502 0.051 1
1 206 . 9 1 1 A 25 25 THR N N 25 113.003 116.636 -3.633 1
1 207 . 9 1 1 A 26 26 ASN H H 26 7.468 9.114 -1.646 1
1 208 . 9 1 1 A 26 26 ASN HA H 26 4.070 4.544 -0.474 1
1 213 . 9 1 1 A 26 26 ASN N N 26 117.889 125.973 -8.084 1
1 215 . 9 1 1 A 27 27 LEU H H 27 7.379 7.941 -0.562 1
1 216 . 9 1 1 A 27 27 LEU HA H 27 3.763 4.104 -0.341 1
1 226 . 9 1 1 A 27 27 LEU N N 27 117.538 121.283 -3.745 1
1 227 . 9 1 1 A 28 28 PHE H H 28 6.693 8.055 -1.362 1
1 228 . 9 1 1 A 28 28 PHE HA H 28 4.334 4.389 -0.055 1
1 236 . 9 1 1 A 28 28 PHE N N 28 113.427 114.342 -0.915 1
1 237 . 9 1 1 A 29 29 HIS H H 29 8.798 9.239 -0.441 1
1 238 . 9 1 1 A 29 29 HIS HA H 29 4.249 4.363 -0.114 1
1 243 . 9 1 1 A 29 29 HIS N N 29 114.076 115.925 -1.849 1
1 244 . 9 1 1 A 30 30 CYS H H 30 9.153 8.715 0.438 1
1 245 . 9 1 1 A 30 30 CYS HA H 30 4.512 4.343 0.169 1
1 248 . 9 1 1 A 30 30 CYS N N 30 109.137 116.643 -7.506 1
1 249 . 9 1 1 A 31 31 LYS H H 31 7.521 7.546 -0.025 1
1 250 . 9 1 1 A 31 31 LYS HA H 31 4.334 4.359 -0.025 1
1 262 . 9 1 1 A 31 31 LYS N N 31 117.016 117.525 -0.509 1
1 263 . 9 1 1 A 32 32 ASP H H 32 8.496 8.516 -0.020 1
1 264 . 9 1 1 A 32 32 ASP HA H 32 4.139 4.510 -0.371 1
1 267 . 9 1 1 A 32 32 ASP N N 32 120.267 120.970 -0.703 1
1 268 . 9 1 1 A 33 33 LYS H H 33 7.519 7.572 -0.053 1
1 269 . 9 1 1 A 33 33 LYS HA H 33 5.563 5.225 0.338 1
1 281 . 9 1 1 A 33 33 LYS N N 33 114.737 112.906 1.831 1
1 282 . 9 1 1 A 34 34 ASN H H 34 7.794 8.193 -0.399 1
1 283 . 9 1 1 A 34 34 ASN HA H 34 4.477 5.029 -0.552 1
1 288 . 9 1 1 A 34 34 ASN N N 34 116.413 119.119 -2.706 1
1 290 . 9 1 1 A 35 35 THR H H 35 7.819 8.534 -0.715 1
1 291 . 9 1 1 A 35 35 THR HA H 35 4.454 4.371 0.083 1
1 296 . 9 1 1 A 35 35 THR N N 35 122.595 122.777 -0.182 1
1 297 . 9 1 1 A 36 36 PHE H H 36 9.192 8.115 1.077 1
1 298 . 9 1 1 A 36 36 PHE HA H 36 4.465 5.836 -1.371 1
1 306 . 9 1 1 A 36 36 PHE N N 36 125.174 123.434 1.740 1
1 307 . 9 1 1 A 37 37 ILE H H 37 9.389 9.147 0.242 1
1 308 . 9 1 1 A 37 37 ILE HA H 37 4.197 4.614 -0.417 1
1 318 . 9 1 1 A 37 37 ILE N N 37 122.998 122.898 0.100 1
1 319 . 9 1 1 A 38 38 TYR H H 38 8.959 9.068 -0.109 1
1 320 . 9 1 1 A 38 38 TYR HA H 38 5.341 5.608 -0.267 1
1 327 . 9 1 1 A 38 38 TYR N N 38 129.369 129.939 -0.570 1
1 328 . 9 1 1 A 39 39 SER H H 39 7.608 8.134 -0.526 1
1 329 . 9 1 1 A 39 39 SER HA H 39 4.298 4.706 -0.408 1
1 332 . 9 1 1 A 39 39 SER N N 39 121.061 123.633 -2.572 1
1 333 . 9 1 1 A 40 40 ARG H H 40 8.441 8.476 -0.035 1
1 334 . 9 1 1 A 40 40 ARG HA H 40 4.633 4.592 0.041 1
1 342 . 9 1 1 A 40 40 ARG N N 40 123.846 121.747 2.099 1
1 343 . 9 1 1 A 41 41 PRO HA H 41 3.881 4.476 -0.595 1
1 350 . 9 1 1 A 42 42 GLU H H 42 9.361 8.569 0.792 1
1 351 . 9 1 1 A 42 42 GLU HA H 42 4.103 4.282 -0.179 1
1 356 . 9 1 1 A 42 42 GLU N N 42 118.394 118.354 0.040 1
1 357 . 9 1 1 A 43 43 PRO HA H 43 4.371 4.437 -0.066 1
1 364 . 9 1 1 A 44 44 VAL H H 44 6.810 7.502 -0.692 1
1 365 . 9 1 1 A 44 44 VAL HA H 44 3.823 3.819 0.004 1
1 373 . 9 1 1 A 44 44 VAL N N 44 116.005 116.606 -0.601 1
1 374 . 9 1 1 A 45 45 LYS H H 45 8.399 8.039 0.360 1
1 375 . 9 1 1 A 45 45 LYS HA H 45 2.748 3.965 -1.217 1
1 382 . 9 1 1 A 45 45 LYS N N 45 121.531 120.857 0.674 1
1 383 . 9 1 1 A 46 46 ALA H H 46 7.601 8.372 -0.771 1
1 384 . 9 1 1 A 46 46 ALA HA H 46 3.823 4.061 -0.238 1
1 388 . 9 1 1 A 46 46 ALA N N 46 115.333 121.301 -5.968 1
1 389 . 9 1 1 A 47 47 ILE H H 47 7.345 7.564 -0.219 1
1 390 . 9 1 1 A 47 47 ILE HA H 47 3.592 3.636 -0.044 1
1 400 . 9 1 1 A 47 47 ILE N N 47 119.605 118.581 1.024 1
1 401 . 9 1 1 A 48 48 CYS H H 48 7.094 7.863 -0.769 1
1 402 . 9 1 1 A 48 48 CYS HA H 48 4.589 4.780 -0.191 1
1 405 . 9 1 1 A 48 48 CYS N N 48 111.804 115.447 -3.643 1
1 406 . 9 1 1 A 49 49 LYS H H 49 7.223 7.199 0.024 1
1 407 . 9 1 1 A 49 49 LYS HA H 49 3.787 3.872 -0.085 1
1 416 . 9 1 1 A 49 49 LYS N N 49 123.849 123.340 0.509 1
1 417 . 9 1 1 A 50 50 GLY H H 50 9.126 8.982 0.144 1
1 418 . 9 1 1 A 50 50 GLY HA2 H 50 4.018 3.937 0.081 1
1 419 . 9 1 1 A 50 50 GLY HA3 H 50 3.398 3.940 -0.542 1
1 420 . 9 1 1 A 50 50 GLY N N 50 114.134 114.712 -0.578 1
1 421 . 9 1 1 A 51 51 ILE H H 51 7.759 7.867 -0.108 1
1 422 . 9 1 1 A 51 51 ILE HA H 51 3.904 4.154 -0.250 1
1 432 . 9 1 1 A 51 51 ILE N N 51 122.336 122.519 -0.183 1
1 433 . 9 1 1 A 52 52 ILE H H 52 8.204 8.868 -0.664 1
1 434 . 9 1 1 A 52 52 ILE HA H 52 3.706 4.241 -0.535 1
1 444 . 9 1 1 A 52 52 ILE N N 52 128.010 129.263 -1.253 1
1 445 . 9 1 1 A 53 53 ALA H H 53 7.722 7.607 0.115 1
1 446 . 9 1 1 A 53 53 ALA HA H 53 4.220 4.364 -0.144 1
1 450 . 9 1 1 A 53 53 ALA N N 53 123.517 125.474 -1.957 1
1 451 . 9 1 1 A 54 54 SER H H 54 7.929 8.544 -0.615 1
1 452 . 9 1 1 A 54 54 SER HA H 54 4.885 5.398 -0.513 1
1 455 . 9 1 1 A 54 54 SER N N 54 112.613 115.385 -2.772 1
1 456 . 9 1 1 A 55 55 LYS H H 55 8.361 8.329 0.032 1
1 457 . 9 1 1 A 55 55 LYS HA H 55 4.261 4.983 -0.722 1
1 466 . 9 1 1 A 55 55 LYS N N 55 126.198 122.771 3.427 1
1 467 . 9 1 1 A 56 56 ASN H H 56 8.677 8.611 0.066 1
1 468 . 9 1 1 A 56 56 ASN HA H 56 5.629 5.132 0.497 1
1 473 . 9 1 1 A 56 56 ASN N N 56 125.474 121.878 3.596 1
1 475 . 9 1 1 A 57 57 VAL H H 57 9.071 9.311 -0.240 1
1 476 . 9 1 1 A 57 57 VAL HA H 57 4.102 4.605 -0.503 1
1 484 . 9 1 1 A 57 57 VAL N N 57 122.842 126.571 -3.729 1
1 485 . 9 1 1 A 58 58 LEU H H 58 8.003 8.847 -0.844 1
1 486 . 9 1 1 A 58 58 LEU HA H 58 4.565 4.912 -0.347 1
1 496 . 9 1 1 A 58 58 LEU N N 58 126.427 128.555 -2.128 1
1 497 . 9 1 1 A 59 59 THR H H 59 8.729 8.906 -0.177 1
1 498 . 9 1 1 A 59 59 THR HA H 59 4.018 4.060 -0.042 1
1 503 . 9 1 1 A 59 59 THR N N 59 117.852 121.023 -3.171 1
1 504 . 9 1 1 A 60 60 THR H H 60 8.464 8.749 -0.285 1
1 505 . 9 1 1 A 60 60 THR HA H 60 4.152 4.325 -0.173 1
1 510 . 9 1 1 A 60 60 THR N N 60 110.875 118.031 -7.156 1
1 511 . 9 1 1 A 61 61 SER H H 61 7.518 7.958 -0.440 1
1 512 . 9 1 1 A 61 61 SER HA H 61 4.553 4.787 -0.234 1
1 515 . 9 1 1 A 61 61 SER N N 61 114.743 117.889 -3.146 1
1 516 . 9 1 1 A 62 62 GLU H H 62 8.363 8.634 -0.271 1
1 517 . 9 1 1 A 62 62 GLU HA H 62 4.045 5.290 -1.245 1
1 522 . 9 1 1 A 62 62 GLU N N 62 119.457 121.865 -2.408 1
1 523 . 9 1 1 A 63 63 PHE H H 63 8.539 9.631 -1.092 1
1 524 . 9 1 1 A 63 63 PHE HA H 63 4.512 5.215 -0.703 1
1 532 . 9 1 1 A 63 63 PHE N N 63 121.301 122.186 -0.885 1
1 533 . 9 1 1 A 64 64 TYR H H 64 9.648 9.469 0.179 1
1 534 . 9 1 1 A 64 64 TYR HA H 64 4.839 5.005 -0.166 1
1 541 . 9 1 1 A 64 64 TYR N N 64 119.292 120.637 -1.345 1
1 542 . 9 1 1 A 65 65 LEU H H 65 9.244 9.736 -0.492 1
1 543 . 9 1 1 A 65 65 LEU HA H 65 5.308 5.250 0.058 1
1 553 . 9 1 1 A 65 65 LEU N N 65 125.959 126.187 -0.228 1
1 554 . 9 1 1 A 66 66 SER H H 66 9.446 8.968 0.478 1
1 555 . 9 1 1 A 66 66 SER HA H 66 5.096 5.322 -0.226 1
1 558 . 9 1 1 A 66 66 SER N N 66 121.031 122.052 -1.021 1
1 559 . 9 1 1 A 67 67 ASP H H 67 9.348 9.539 -0.191 1
1 560 . 9 1 1 A 67 67 ASP HA H 67 5.459 4.940 0.519 1
1 563 . 9 1 1 A 67 67 ASP N N 67 125.532 126.752 -1.220 1
1 564 . 9 1 1 A 68 68 CYS H H 68 8.355 8.125 0.230 1
1 565 . 9 1 1 A 68 68 CYS HA H 68 5.131 5.300 -0.169 1
1 568 . 9 1 1 A 68 68 CYS N N 68 118.606 123.435 -4.829 1
1 569 . 9 1 1 A 69 69 ASN H H 69 8.586 8.832 -0.246 1
1 570 . 9 1 1 A 69 69 ASN HA H 69 5.471 5.079 0.392 1
1 575 . 9 1 1 A 69 69 ASN N N 69 121.731 123.395 -1.664 1
1 577 . 9 1 1 A 70 70 VAL H H 70 9.041 8.544 0.497 1
1 578 . 9 1 1 A 70 70 VAL HA H 70 3.446 4.353 -0.907 1
1 586 . 9 1 1 A 70 70 VAL N N 70 128.654 127.113 1.541 1
1 587 . 9 1 1 A 71 71 THR H H 71 8.073 8.214 -0.141 1
1 588 . 9 1 1 A 71 71 THR HA H 71 4.562 4.845 -0.283 1
1 593 . 9 1 1 A 71 71 THR N N 71 116.683 117.092 -0.409 1
1 594 . 9 1 1 A 72 72 SER H H 72 8.060 8.933 -0.873 1
1 595 . 9 1 1 A 72 72 SER HA H 72 4.102 4.261 -0.159 1
1 598 . 9 1 1 A 73 73 ARG H H 73 7.728 7.616 0.112 1
1 599 . 9 1 1 A 73 73 ARG HA H 73 4.577 4.573 0.004 1
1 607 . 9 1 1 A 73 73 ARG N N 73 124.362 118.519 5.843 1
1 608 . 9 1 1 A 74 74 PRO HA H 74 3.845 4.283 -0.438 1
1 615 . 9 1 1 A 75 75 CYS H H 75 8.594 8.782 -0.188 1
1 616 . 9 1 1 A 75 75 CYS HA H 75 4.113 4.348 -0.235 1
1 619 . 9 1 1 A 75 75 CYS N N 75 120.291 120.735 -0.444 1
1 620 . 9 1 1 A 76 76 LYS H H 76 7.041 7.672 -0.631 1
1 621 . 9 1 1 A 76 76 LYS HA H 76 4.745 4.660 0.085 1
1 628 . 9 1 1 A 76 76 LYS N N 76 116.469 120.270 -3.801 1
1 629 . 9 1 1 A 77 77 TYR H H 77 9.907 8.097 1.810 1
1 630 . 9 1 1 A 77 77 TYR HA H 77 4.301 5.287 -0.986 1
1 637 . 9 1 1 A 77 77 TYR N N 77 123.774 119.698 4.076 1
1 638 . 9 1 1 A 78 78 LYS H H 78 8.852 8.808 0.044 1
1 639 . 9 1 1 A 78 78 LYS HA H 78 4.529 5.075 -0.546 1
1 651 . 9 1 1 A 78 78 LYS N N 78 120.664 118.896 1.768 1
1 652 . 9 1 1 A 79 79 LEU H H 79 8.392 8.491 -0.099 1
1 653 . 9 1 1 A 79 79 LEU HA H 79 5.259 4.628 0.631 1
1 663 . 9 1 1 A 79 79 LEU N N 79 126.842 123.654 3.188 1
1 664 . 9 1 1 A 80 80 LYS H H 80 9.300 8.842 0.458 1
1 665 . 9 1 1 A 80 80 LYS HA H 80 4.745 4.857 -0.112 1
1 672 . 9 1 1 A 80 80 LYS N N 80 128.617 126.661 1.956 1
1 673 . 9 1 1 A 81 81 LYS H H 81 9.242 8.957 0.285 1
1 674 . 9 1 1 A 81 81 LYS HA H 81 5.159 4.917 0.242 1
1 683 . 9 1 1 A 81 81 LYS N N 81 130.142 128.312 1.830 1
1 684 . 9 1 1 A 82 82 SER H H 82 8.828 9.595 -0.767 1
1 685 . 9 1 1 A 82 82 SER HA H 82 4.753 5.276 -0.523 1
1 688 . 9 1 1 A 82 82 SER N N 82 117.009 121.502 -4.493 1
1 689 . 9 1 1 A 83 83 THR H H 83 8.402 8.674 -0.272 1
1 690 . 9 1 1 A 83 83 THR HA H 83 5.374 5.541 -0.167 1
1 695 . 9 1 1 A 83 83 THR N N 83 115.259 119.116 -3.857 1
1 696 . 9 1 1 A 84 84 ASN H H 84 9.053 8.764 0.289 1
1 697 . 9 1 1 A 84 84 ASN HA H 84 4.863 5.221 -0.358 1
1 702 . 9 1 1 A 84 84 ASN N N 84 121.758 123.491 -1.733 1
1 704 . 9 1 1 A 85 85 LYS H H 85 8.837 8.382 0.455 1
1 705 . 9 1 1 A 85 85 LYS HA H 85 4.401 4.534 -0.133 1
1 712 . 9 1 1 A 85 85 LYS N N 85 120.865 119.418 1.447 1
1 713 . 9 1 1 A 86 86 PHE H H 86 7.830 8.411 -0.581 1
1 714 . 9 1 1 A 86 86 PHE HA H 86 4.944 5.356 -0.412 1
1 722 . 9 1 1 A 86 86 PHE N N 86 114.090 116.279 -2.189 1
1 723 . 9 1 1 A 87 87 ALA H H 87 8.702 9.216 -0.514 1
1 724 . 9 1 1 A 87 87 ALA HA H 87 5.715 5.373 0.342 1
1 728 . 9 1 1 A 87 87 ALA N N 87 121.161 121.939 -0.778 1
1 729 . 9 1 1 A 88 88 VAL H H 88 8.472 8.940 -0.468 1
1 730 . 9 1 1 A 88 88 VAL HA H 88 4.918 4.963 -0.045 1
1 738 . 9 1 1 A 88 88 VAL N N 88 112.187 116.684 -4.497 1
1 739 . 9 1 1 A 89 89 THR H H 89 8.469 9.082 -0.613 1
1 740 . 9 1 1 A 89 89 THR HA H 89 4.760 4.780 -0.020 1
1 745 . 9 1 1 A 89 89 THR N N 89 118.002 118.200 -0.198 1
1 746 . 9 1 1 A 90 90 CYS H H 90 9.106 8.783 0.323 1
1 747 . 9 1 1 A 90 90 CYS HA H 90 5.049 5.693 -0.644 1
1 750 . 9 1 1 A 90 90 CYS N N 90 126.735 125.837 0.898 1
1 751 . 9 1 1 A 91 91 GLU H H 91 8.687 8.971 -0.284 1
1 752 . 9 1 1 A 91 91 GLU HA H 91 4.079 4.548 -0.469 1
1 757 . 9 1 1 A 91 91 GLU N N 91 118.639 121.780 -3.141 1
1 758 . 9 1 1 A 92 92 ASN H H 92 10.229 9.835 0.394 1
1 759 . 9 1 1 A 92 92 ASN HA H 92 4.237 4.380 -0.143 1
1 764 . 9 1 1 A 92 92 ASN N N 92 126.427 126.462 -0.035 1
1 766 . 9 1 1 A 93 93 GLN H H 93 8.746 8.793 -0.047 1
1 767 . 9 1 1 A 93 93 GLN HA H 93 3.939 4.039 -0.100 1
1 774 . 9 1 1 A 93 93 GLN N N 93 105.324 109.038 -3.714 1
1 776 . 9 1 1 A 94 94 ALA H H 94 7.487 7.560 -0.073 1
1 777 . 9 1 1 A 94 94 ALA HA H 94 4.313 4.594 -0.281 1
1 781 . 9 1 1 A 94 94 ALA N N 94 118.760 120.495 -1.735 1
1 782 . 9 1 1 A 95 95 PRO HA H 95 5.061 4.921 0.140 1
1 789 . 9 1 1 A 96 96 VAL H H 96 8.499 8.438 0.061 1
1 790 . 9 1 1 A 96 96 VAL HA H 96 4.443 4.349 0.094 1
1 798 . 9 1 1 A 96 96 VAL N N 96 108.711 119.245 -10.534 1
1 799 . 9 1 1 A 97 97 HIS H H 97 7.326 7.576 -0.250 1
1 800 . 9 1 1 A 97 97 HIS HA H 97 5.400 5.112 0.288 1
1 805 . 9 1 1 A 97 97 HIS N N 97 116.780 121.301 -4.521 1
1 806 . 9 1 1 A 98 98 PHE H H 98 8.120 8.754 -0.634 1
1 807 . 9 1 1 A 98 98 PHE HA H 98 4.430 4.708 -0.278 1
1 815 . 9 1 1 A 99 99 VAL H H 99 8.208 8.405 -0.197 1
1 816 . 9 1 1 A 99 99 VAL HA H 99 3.829 3.943 -0.114 1
1 824 . 9 1 1 A 99 99 VAL N N 99 129.253 127.308 1.945 1
1 825 . 9 1 1 A 100 100 GLY H H 100 6.578 6.080 0.498 1
1 826 . 9 1 1 A 100 100 GLY HA2 H 100 4.212 3.671 0.541 1
1 827 . 9 1 1 A 100 100 GLY HA3 H 100 3.921 3.836 0.085 1
1 828 . 9 1 1 A 100 100 GLY N N 100 104.609 105.637 -1.028 1
1 829 . 9 1 1 A 101 101 VAL H H 101 8.454 8.401 0.053 1
1 830 . 9 1 1 A 101 101 VAL HA H 101 4.371 4.402 -0.031 1
1 838 . 9 1 1 A 101 101 VAL N N 101 116.884 116.460 0.424 1
1 839 . 9 1 1 A 102 102 GLY H H 102 8.333 8.790 -0.457 1
1 840 . 9 1 1 A 102 102 GLY HA2 H 102 3.945 3.964 -0.019 1
1 841 . 9 1 1 A 102 102 GLY HA3 H 102 3.641 3.977 -0.336 1
1 842 . 9 1 1 A 102 102 GLY N N 102 112.591 111.035 1.556 1
1 843 . 9 1 1 A 103 103 SER H H 103 7.904 8.348 -0.444 1
1 844 . 9 1 1 A 103 103 SER HA H 103 4.322 5.131 -0.809 1
1 847 . 9 1 1 A 103 103 SER N N 103 114.061 116.222 -2.161 1
1 13 . 10 1 1 A 3 3 TRP H H 3 9.300 9.059 0.241 1
1 14 . 10 1 1 A 3 3 TRP HA H 3 5.398 4.332 1.066 1
1 23 . 10 1 1 A 3 3 TRP N N 3 123.555 121.499 2.056 1
1 25 . 10 1 1 A 4 4 LEU H H 4 8.275 8.222 0.053 1
1 26 . 10 1 1 A 4 4 LEU HA H 4 3.677 3.832 -0.155 1
1 36 . 10 1 1 A 4 4 LEU N N 4 120.894 120.692 0.202 1
1 37 . 10 1 1 A 5 5 THR H H 5 8.719 7.929 0.790 1
1 38 . 10 1 1 A 5 5 THR HA H 5 3.799 3.965 -0.166 1
1 43 . 10 1 1 A 5 5 THR N N 5 117.567 114.590 2.977 1
1 44 . 10 1 1 A 6 6 PHE H H 6 8.735 8.671 0.064 1
1 45 . 10 1 1 A 6 6 PHE HA H 6 4.139 4.072 0.067 1
1 53 . 10 1 1 A 6 6 PHE N N 6 122.982 121.624 1.358 1
1 54 . 10 1 1 A 7 7 GLN H H 7 8.053 7.905 0.148 1
1 55 . 10 1 1 A 7 7 GLN HA H 7 3.456 3.347 0.109 1
1 62 . 10 1 1 A 7 7 GLN N N 7 117.062 118.607 -1.545 1
1 64 . 10 1 1 A 8 8 LYS H H 8 7.366 7.367 -0.001 1
1 65 . 10 1 1 A 8 8 LYS HA H 8 3.845 3.958 -0.113 1
1 77 . 10 1 1 A 8 8 LYS N N 8 117.944 120.587 -2.643 1
1 78 . 10 1 1 A 9 9 LYS H H 9 7.996 7.394 0.602 1
1 79 . 10 1 1 A 9 9 LYS HA H 9 3.969 3.846 0.123 1
1 86 . 10 1 1 A 9 9 LYS N N 9 115.014 118.769 -3.755 1
1 87 . 10 1 1 A 10 10 HIS H H 10 7.785 7.960 -0.175 1
1 88 . 10 1 1 A 10 10 HIS HA H 10 4.536 4.963 -0.427 1
1 93 . 10 1 1 A 10 10 HIS N N 10 107.185 114.096 -6.911 1
1 94 . 10 1 1 A 11 11 ILE H H 11 8.179 7.785 0.394 1
1 95 . 10 1 1 A 11 11 ILE HA H 11 5.064 5.012 0.052 1
1 105 . 10 1 1 A 11 11 ILE N N 11 121.378 122.205 -0.827 1
1 106 . 10 1 1 A 12 12 THR H H 12 8.546 8.955 -0.409 1
1 107 . 10 1 1 A 12 12 THR HA H 12 5.002 4.991 0.011 1
1 112 . 10 1 1 A 12 12 THR N N 12 120.322 120.287 0.035 1
1 113 . 10 1 1 A 13 13 ASN H H 13 8.263 8.713 -0.450 1
1 114 . 10 1 1 A 13 13 ASN HA H 13 4.827 4.945 -0.118 1
1 119 . 10 1 1 A 13 13 ASN N N 13 123.517 123.767 -0.250 1
1 121 . 10 1 1 A 14 14 THR H H 14 7.878 7.350 0.528 1
1 122 . 10 1 1 A 14 14 THR HA H 14 4.395 4.517 -0.122 1
1 127 . 10 1 1 A 14 14 THR N N 14 113.563 112.839 0.724 1
1 128 . 10 1 1 A 15 15 ARG H H 15 8.545 8.340 0.205 1
1 129 . 10 1 1 A 15 15 ARG HA H 15 3.448 3.920 -0.472 1
1 137 . 10 1 1 A 15 15 ARG N N 15 126.331 127.207 -0.876 1
1 138 . 10 1 1 A 16 16 ASP H H 16 7.846 7.097 0.749 1
1 139 . 10 1 1 A 16 16 ASP HA H 16 4.512 4.785 -0.273 1
1 142 . 10 1 1 A 16 16 ASP N N 16 121.932 118.782 3.150 1
1 143 . 10 1 1 A 17 17 VAL H H 17 6.499 8.406 -1.907 1
1 144 . 10 1 1 A 17 17 VAL HA H 17 2.954 4.400 -1.446 1
1 152 . 10 1 1 A 17 17 VAL N N 17 121.499 122.253 -0.754 1
1 153 . 10 1 1 A 18 18 ASP H H 18 8.566 8.542 0.024 1
1 154 . 10 1 1 A 18 18 ASP HA H 18 4.524 4.599 -0.075 1
1 157 . 10 1 1 A 18 18 ASP N N 18 127.059 128.902 -1.843 1
1 158 . 10 1 1 A 19 19 CYS H H 19 7.838 8.585 -0.747 1
1 159 . 10 1 1 A 19 19 CYS HA H 19 3.556 4.052 -0.496 1
1 162 . 10 1 1 A 19 19 CYS N N 19 120.870 123.129 -2.259 1
1 163 . 10 1 1 A 20 20 ASP H H 20 8.819 8.407 0.412 1
1 164 . 10 1 1 A 20 20 ASP HA H 20 4.298 3.933 0.365 1
1 167 . 10 1 1 A 20 20 ASP N N 20 118.657 121.401 -2.744 1
1 168 . 10 1 1 A 21 21 ASN H H 21 6.997 7.846 -0.849 1
1 169 . 10 1 1 A 21 21 ASN HA H 21 4.589 4.577 0.012 1
1 174 . 10 1 1 A 21 21 ASN N N 21 114.544 115.202 -0.658 1
1 176 . 10 1 1 A 22 22 ILE H H 22 7.844 8.543 -0.699 1
1 177 . 10 1 1 A 22 22 ILE HA H 22 3.957 3.723 0.234 1
1 187 . 10 1 1 A 22 22 ILE N N 22 119.569 120.831 -1.262 1
1 188 . 10 1 1 A 23 23 MET H H 23 8.494 7.723 0.771 1
1 189 . 10 1 1 A 23 23 MET HA H 23 4.138 4.282 -0.144 1
1 194 . 10 1 1 A 23 23 MET N N 23 117.955 119.623 -1.668 1
1 195 . 10 1 1 A 24 24 SER H H 24 7.101 7.844 -0.743 1
1 196 . 10 1 1 A 24 24 SER HA H 24 4.114 4.387 -0.273 1
1 199 . 10 1 1 A 24 24 SER N N 24 108.759 114.854 -6.095 1
1 200 . 10 1 1 A 25 25 THR H H 25 7.455 7.954 -0.499 1
1 201 . 10 1 1 A 25 25 THR HA H 25 4.553 4.463 0.090 1
1 206 . 10 1 1 A 25 25 THR N N 25 113.003 115.920 -2.917 1
1 207 . 10 1 1 A 26 26 ASN H H 26 7.468 9.150 -1.682 1
1 208 . 10 1 1 A 26 26 ASN HA H 26 4.070 4.563 -0.493 1
1 213 . 10 1 1 A 26 26 ASN N N 26 117.889 125.919 -8.030 1
1 215 . 10 1 1 A 27 27 LEU H H 27 7.379 7.973 -0.594 1
1 216 . 10 1 1 A 27 27 LEU HA H 27 3.763 3.969 -0.206 1
1 226 . 10 1 1 A 27 27 LEU N N 27 117.538 121.082 -3.544 1
1 227 . 10 1 1 A 28 28 PHE H H 28 6.693 8.070 -1.377 1
1 228 . 10 1 1 A 28 28 PHE HA H 28 4.334 4.607 -0.273 1
1 236 . 10 1 1 A 28 28 PHE N N 28 113.427 114.280 -0.853 1
1 237 . 10 1 1 A 29 29 HIS H H 29 8.798 8.834 -0.036 1
1 238 . 10 1 1 A 29 29 HIS HA H 29 4.249 4.139 0.110 1
1 243 . 10 1 1 A 29 29 HIS N N 29 114.076 117.130 -3.054 1
1 244 . 10 1 1 A 30 30 CYS H H 30 9.153 8.804 0.349 1
1 245 . 10 1 1 A 30 30 CYS HA H 30 4.512 4.296 0.216 1
1 248 . 10 1 1 A 30 30 CYS N N 30 109.137 117.105 -7.968 1
1 249 . 10 1 1 A 31 31 LYS H H 31 7.521 7.756 -0.235 1
1 250 . 10 1 1 A 31 31 LYS HA H 31 4.334 4.542 -0.208 1
1 262 . 10 1 1 A 31 31 LYS N N 31 117.016 117.252 -0.236 1
1 263 . 10 1 1 A 32 32 ASP H H 32 8.496 8.625 -0.129 1
1 264 . 10 1 1 A 32 32 ASP HA H 32 4.139 4.556 -0.417 1
1 267 . 10 1 1 A 32 32 ASP N N 32 120.267 120.238 0.029 1
1 268 . 10 1 1 A 33 33 LYS H H 33 7.519 7.604 -0.085 1
1 269 . 10 1 1 A 33 33 LYS HA H 33 5.563 4.828 0.735 1
1 281 . 10 1 1 A 33 33 LYS N N 33 114.737 112.898 1.839 1
1 282 . 10 1 1 A 34 34 ASN H H 34 7.794 8.557 -0.763 1
1 283 . 10 1 1 A 34 34 ASN HA H 34 4.477 5.131 -0.654 1
1 288 . 10 1 1 A 34 34 ASN N N 34 116.413 118.810 -2.397 1
1 290 . 10 1 1 A 35 35 THR H H 35 7.819 8.571 -0.752 1
1 291 . 10 1 1 A 35 35 THR HA H 35 4.454 4.311 0.143 1
1 296 . 10 1 1 A 35 35 THR N N 35 122.595 121.771 0.824 1
1 297 . 10 1 1 A 36 36 PHE H H 36 9.192 8.033 1.159 1
1 298 . 10 1 1 A 36 36 PHE HA H 36 4.465 5.724 -1.259 1
1 306 . 10 1 1 A 36 36 PHE N N 36 125.174 123.358 1.816 1
1 307 . 10 1 1 A 37 37 ILE H H 37 9.389 9.686 -0.297 1
1 308 . 10 1 1 A 37 37 ILE HA H 37 4.197 4.584 -0.387 1
1 318 . 10 1 1 A 37 37 ILE N N 37 122.998 121.946 1.052 1
1 319 . 10 1 1 A 38 38 TYR H H 38 8.959 9.368 -0.409 1
1 320 . 10 1 1 A 38 38 TYR HA H 38 5.341 5.704 -0.363 1
1 327 . 10 1 1 A 38 38 TYR N N 38 129.369 130.094 -0.725 1
1 328 . 10 1 1 A 39 39 SER H H 39 7.608 7.991 -0.383 1
1 329 . 10 1 1 A 39 39 SER HA H 39 4.298 4.698 -0.400 1
1 332 . 10 1 1 A 39 39 SER N N 39 121.061 123.644 -2.583 1
1 333 . 10 1 1 A 40 40 ARG H H 40 8.441 8.454 -0.013 1
1 334 . 10 1 1 A 40 40 ARG HA H 40 4.633 4.590 0.043 1
1 342 . 10 1 1 A 40 40 ARG N N 40 123.846 122.028 1.818 1
1 343 . 10 1 1 A 41 41 PRO HA H 41 3.881 4.530 -0.649 1
1 350 . 10 1 1 A 42 42 GLU H H 42 9.361 8.454 0.907 1
1 351 . 10 1 1 A 42 42 GLU HA H 42 4.103 4.287 -0.184 1
1 356 . 10 1 1 A 42 42 GLU N N 42 118.394 118.229 0.165 1
1 357 . 10 1 1 A 43 43 PRO HA H 43 4.371 4.437 -0.066 1
1 364 . 10 1 1 A 44 44 VAL H H 44 6.810 7.121 -0.311 1
1 365 . 10 1 1 A 44 44 VAL HA H 44 3.823 3.766 0.057 1
1 373 . 10 1 1 A 44 44 VAL N N 44 116.005 116.551 -0.546 1
1 374 . 10 1 1 A 45 45 LYS H H 45 8.399 8.263 0.136 1
1 375 . 10 1 1 A 45 45 LYS HA H 45 2.748 3.901 -1.153 1
1 382 . 10 1 1 A 45 45 LYS N N 45 121.531 120.581 0.950 1
1 383 . 10 1 1 A 46 46 ALA H H 46 7.601 8.407 -0.806 1
1 384 . 10 1 1 A 46 46 ALA HA H 46 3.823 4.054 -0.231 1
1 388 . 10 1 1 A 46 46 ALA N N 46 115.333 121.243 -5.910 1
1 389 . 10 1 1 A 47 47 ILE H H 47 7.345 7.540 -0.195 1
1 390 . 10 1 1 A 47 47 ILE HA H 47 3.592 3.576 0.016 1
1 400 . 10 1 1 A 47 47 ILE N N 47 119.605 118.652 0.953 1
1 401 . 10 1 1 A 48 48 CYS H H 48 7.094 7.795 -0.701 1
1 402 . 10 1 1 A 48 48 CYS HA H 48 4.589 4.637 -0.048 1
1 405 . 10 1 1 A 48 48 CYS N N 48 111.804 115.466 -3.662 1
1 406 . 10 1 1 A 49 49 LYS H H 49 7.223 7.248 -0.025 1
1 407 . 10 1 1 A 49 49 LYS HA H 49 3.787 3.848 -0.061 1
1 416 . 10 1 1 A 49 49 LYS N N 49 123.849 123.261 0.588 1
1 417 . 10 1 1 A 50 50 GLY H H 50 9.126 8.913 0.213 1
1 418 . 10 1 1 A 50 50 GLY HA2 H 50 4.018 3.932 0.086 1
1 419 . 10 1 1 A 50 50 GLY HA3 H 50 3.398 3.933 -0.535 1
1 420 . 10 1 1 A 50 50 GLY N N 50 114.134 114.379 -0.245 1
1 421 . 10 1 1 A 51 51 ILE H H 51 7.759 8.018 -0.259 1
1 422 . 10 1 1 A 51 51 ILE HA H 51 3.904 4.132 -0.228 1
1 432 . 10 1 1 A 51 51 ILE N N 51 122.336 122.500 -0.164 1
1 433 . 10 1 1 A 52 52 ILE H H 52 8.204 8.746 -0.542 1
1 434 . 10 1 1 A 52 52 ILE HA H 52 3.706 4.239 -0.533 1
1 444 . 10 1 1 A 52 52 ILE N N 52 128.010 129.167 -1.157 1
1 445 . 10 1 1 A 53 53 ALA H H 53 7.722 7.678 0.044 1
1 446 . 10 1 1 A 53 53 ALA HA H 53 4.220 4.332 -0.112 1
1 450 . 10 1 1 A 53 53 ALA N N 53 123.517 124.547 -1.030 1
1 451 . 10 1 1 A 54 54 SER H H 54 7.929 8.650 -0.721 1
1 452 . 10 1 1 A 54 54 SER HA H 54 4.885 4.755 0.130 1
1 455 . 10 1 1 A 54 54 SER N N 54 112.613 117.448 -4.835 1
1 456 . 10 1 1 A 55 55 LYS H H 55 8.361 9.078 -0.717 1
1 457 . 10 1 1 A 55 55 LYS HA H 55 4.261 4.866 -0.605 1
1 466 . 10 1 1 A 55 55 LYS N N 55 126.198 126.166 0.032 1
1 467 . 10 1 1 A 56 56 ASN H H 56 8.677 8.710 -0.033 1
1 468 . 10 1 1 A 56 56 ASN HA H 56 5.629 5.056 0.573 1
1 473 . 10 1 1 A 56 56 ASN N N 56 125.474 121.989 3.485 1
1 475 . 10 1 1 A 57 57 VAL H H 57 9.071 9.012 0.059 1
1 476 . 10 1 1 A 57 57 VAL HA H 57 4.102 4.653 -0.551 1
1 484 . 10 1 1 A 57 57 VAL N N 57 122.842 126.051 -3.209 1
1 485 . 10 1 1 A 58 58 LEU H H 58 8.003 8.790 -0.787 1
1 486 . 10 1 1 A 58 58 LEU HA H 58 4.565 5.019 -0.454 1
1 496 . 10 1 1 A 58 58 LEU N N 58 126.427 128.708 -2.281 1
1 497 . 10 1 1 A 59 59 THR H H 59 8.729 9.165 -0.436 1
1 498 . 10 1 1 A 59 59 THR HA H 59 4.018 4.006 0.012 1
1 503 . 10 1 1 A 59 59 THR N N 59 117.852 120.411 -2.559 1
1 504 . 10 1 1 A 60 60 THR H H 60 8.464 9.011 -0.547 1
1 505 . 10 1 1 A 60 60 THR HA H 60 4.152 4.464 -0.312 1
1 510 . 10 1 1 A 60 60 THR N N 60 110.875 120.925 -10.050 1
1 511 . 10 1 1 A 61 61 SER H H 61 7.518 7.649 -0.131 1
1 512 . 10 1 1 A 61 61 SER HA H 61 4.553 4.829 -0.276 1
1 515 . 10 1 1 A 61 61 SER N N 61 114.743 116.485 -1.742 1
1 516 . 10 1 1 A 62 62 GLU H H 62 8.363 8.734 -0.371 1
1 517 . 10 1 1 A 62 62 GLU HA H 62 4.045 5.231 -1.186 1
1 522 . 10 1 1 A 62 62 GLU N N 62 119.457 119.528 -0.071 1
1 523 . 10 1 1 A 63 63 PHE H H 63 8.539 9.498 -0.959 1
1 524 . 10 1 1 A 63 63 PHE HA H 63 4.512 4.905 -0.393 1
1 532 . 10 1 1 A 63 63 PHE N N 63 121.301 122.499 -1.198 1
1 533 . 10 1 1 A 64 64 TYR H H 64 9.648 9.002 0.646 1
1 534 . 10 1 1 A 64 64 TYR HA H 64 4.839 5.001 -0.162 1
1 541 . 10 1 1 A 64 64 TYR N N 64 119.292 120.800 -1.508 1
1 542 . 10 1 1 A 65 65 LEU H H 65 9.244 9.670 -0.426 1
1 543 . 10 1 1 A 65 65 LEU HA H 65 5.308 5.364 -0.056 1
1 553 . 10 1 1 A 65 65 LEU N N 65 125.959 126.222 -0.263 1
1 554 . 10 1 1 A 66 66 SER H H 66 9.446 9.090 0.356 1
1 555 . 10 1 1 A 66 66 SER HA H 66 5.096 5.205 -0.109 1
1 558 . 10 1 1 A 66 66 SER N N 66 121.031 122.375 -1.344 1
1 559 . 10 1 1 A 67 67 ASP H H 67 9.348 9.585 -0.237 1
1 560 . 10 1 1 A 67 67 ASP HA H 67 5.459 4.900 0.559 1
1 563 . 10 1 1 A 67 67 ASP N N 67 125.532 127.041 -1.509 1
1 564 . 10 1 1 A 68 68 CYS H H 68 8.355 8.614 -0.259 1
1 565 . 10 1 1 A 68 68 CYS HA H 68 5.131 5.253 -0.122 1
1 568 . 10 1 1 A 68 68 CYS N N 68 118.606 125.517 -6.911 1
1 569 . 10 1 1 A 69 69 ASN H H 69 8.586 8.935 -0.349 1
1 570 . 10 1 1 A 69 69 ASN HA H 69 5.471 5.325 0.146 1
1 575 . 10 1 1 A 69 69 ASN N N 69 121.731 122.447 -0.716 1
1 577 . 10 1 1 A 70 70 VAL H H 70 9.041 8.408 0.633 1
1 578 . 10 1 1 A 70 70 VAL HA H 70 3.446 4.320 -0.874 1
1 586 . 10 1 1 A 70 70 VAL N N 70 128.654 124.419 4.235 1
1 587 . 10 1 1 A 71 71 THR H H 71 8.073 8.259 -0.186 1
1 588 . 10 1 1 A 71 71 THR HA H 71 4.562 4.805 -0.243 1
1 593 . 10 1 1 A 71 71 THR N N 71 116.683 117.462 -0.779 1
1 594 . 10 1 1 A 72 72 SER H H 72 8.060 8.614 -0.554 1
1 595 . 10 1 1 A 72 72 SER HA H 72 4.102 4.268 -0.166 1
1 598 . 10 1 1 A 73 73 ARG H H 73 7.728 7.696 0.032 1
1 599 . 10 1 1 A 73 73 ARG HA H 73 4.577 4.495 0.082 1
1 607 . 10 1 1 A 73 73 ARG N N 73 124.362 120.122 4.240 1
1 608 . 10 1 1 A 74 74 PRO HA H 74 3.845 4.279 -0.434 1
1 615 . 10 1 1 A 75 75 CYS H H 75 8.594 8.802 -0.208 1
1 616 . 10 1 1 A 75 75 CYS HA H 75 4.113 4.420 -0.307 1
1 619 . 10 1 1 A 75 75 CYS N N 75 120.291 120.501 -0.210 1
1 620 . 10 1 1 A 76 76 LYS H H 76 7.041 7.570 -0.529 1
1 621 . 10 1 1 A 76 76 LYS HA H 76 4.745 4.669 0.076 1
1 628 . 10 1 1 A 76 76 LYS N N 76 116.469 119.698 -3.229 1
1 629 . 10 1 1 A 77 77 TYR H H 77 9.907 8.693 1.214 1
1 630 . 10 1 1 A 77 77 TYR HA H 77 4.301 5.332 -1.031 1
1 637 . 10 1 1 A 77 77 TYR N N 77 123.774 120.351 3.423 1
1 638 . 10 1 1 A 78 78 LYS H H 78 8.852 8.778 0.074 1
1 639 . 10 1 1 A 78 78 LYS HA H 78 4.529 5.068 -0.539 1
1 651 . 10 1 1 A 78 78 LYS N N 78 120.664 118.818 1.846 1
1 652 . 10 1 1 A 79 79 LEU H H 79 8.392 8.490 -0.098 1
1 653 . 10 1 1 A 79 79 LEU HA H 79 5.259 4.874 0.385 1
1 663 . 10 1 1 A 79 79 LEU N N 79 126.842 123.996 2.846 1
1 664 . 10 1 1 A 80 80 LYS H H 80 9.300 8.621 0.679 1
1 665 . 10 1 1 A 80 80 LYS HA H 80 4.745 4.893 -0.148 1
1 672 . 10 1 1 A 80 80 LYS N N 80 128.617 127.472 1.145 1
1 673 . 10 1 1 A 81 81 LYS H H 81 9.242 8.912 0.330 1
1 674 . 10 1 1 A 81 81 LYS HA H 81 5.159 5.065 0.094 1
1 683 . 10 1 1 A 81 81 LYS N N 81 130.142 127.853 2.289 1
1 684 . 10 1 1 A 82 82 SER H H 82 8.828 9.181 -0.353 1
1 685 . 10 1 1 A 82 82 SER HA H 82 4.753 5.067 -0.314 1
1 688 . 10 1 1 A 82 82 SER N N 82 117.009 121.232 -4.223 1
1 689 . 10 1 1 A 83 83 THR H H 83 8.402 8.829 -0.427 1
1 690 . 10 1 1 A 83 83 THR HA H 83 5.374 5.637 -0.263 1
1 695 . 10 1 1 A 83 83 THR N N 83 115.259 119.272 -4.013 1
1 696 . 10 1 1 A 84 84 ASN H H 84 9.053 8.704 0.349 1
1 697 . 10 1 1 A 84 84 ASN HA H 84 4.863 5.256 -0.393 1
1 702 . 10 1 1 A 84 84 ASN N N 84 121.758 123.624 -1.866 1
1 704 . 10 1 1 A 85 85 LYS H H 85 8.837 8.419 0.418 1
1 705 . 10 1 1 A 85 85 LYS HA H 85 4.401 4.662 -0.261 1
1 712 . 10 1 1 A 85 85 LYS N N 85 120.865 119.119 1.746 1
1 713 . 10 1 1 A 86 86 PHE H H 86 7.830 8.284 -0.454 1
1 714 . 10 1 1 A 86 86 PHE HA H 86 4.944 5.313 -0.369 1
1 722 . 10 1 1 A 86 86 PHE N N 86 114.090 116.412 -2.322 1
1 723 . 10 1 1 A 87 87 ALA H H 87 8.702 9.018 -0.316 1
1 724 . 10 1 1 A 87 87 ALA HA H 87 5.715 5.673 0.042 1
1 728 . 10 1 1 A 87 87 ALA N N 87 121.161 122.049 -0.888 1
1 729 . 10 1 1 A 88 88 VAL H H 88 8.472 9.000 -0.528 1
1 730 . 10 1 1 A 88 88 VAL HA H 88 4.918 4.996 -0.078 1
1 738 . 10 1 1 A 88 88 VAL N N 88 112.187 116.672 -4.485 1
1 739 . 10 1 1 A 89 89 THR H H 89 8.469 9.074 -0.605 1
1 740 . 10 1 1 A 89 89 THR HA H 89 4.760 5.030 -0.270 1
1 745 . 10 1 1 A 89 89 THR N N 89 118.002 118.190 -0.188 1
1 746 . 10 1 1 A 90 90 CYS H H 90 9.106 9.209 -0.103 1
1 747 . 10 1 1 A 90 90 CYS HA H 90 5.049 5.669 -0.620 1
1 750 . 10 1 1 A 90 90 CYS N N 90 126.735 125.694 1.041 1
1 751 . 10 1 1 A 91 91 GLU H H 91 8.687 9.089 -0.402 1
1 752 . 10 1 1 A 91 91 GLU HA H 91 4.079 4.518 -0.439 1
1 757 . 10 1 1 A 91 91 GLU N N 91 118.639 121.173 -2.534 1
1 758 . 10 1 1 A 92 92 ASN H H 92 10.229 9.913 0.316 1
1 759 . 10 1 1 A 92 92 ASN HA H 92 4.237 4.389 -0.152 1
1 764 . 10 1 1 A 92 92 ASN N N 92 126.427 126.300 0.127 1
1 766 . 10 1 1 A 93 93 GLN H H 93 8.746 8.693 0.053 1
1 767 . 10 1 1 A 93 93 GLN HA H 93 3.939 3.997 -0.058 1
1 774 . 10 1 1 A 93 93 GLN N N 93 105.324 108.963 -3.639 1
1 776 . 10 1 1 A 94 94 ALA H H 94 7.487 7.411 0.076 1
1 777 . 10 1 1 A 94 94 ALA HA H 94 4.313 4.611 -0.298 1
1 781 . 10 1 1 A 94 94 ALA N N 94 118.760 120.642 -1.882 1
1 782 . 10 1 1 A 95 95 PRO HA H 95 5.061 4.920 0.141 1
1 789 . 10 1 1 A 96 96 VAL H H 96 8.499 8.762 -0.263 1
1 790 . 10 1 1 A 96 96 VAL HA H 96 4.443 4.470 -0.027 1
1 798 . 10 1 1 A 96 96 VAL N N 96 108.711 116.074 -7.363 1
1 799 . 10 1 1 A 97 97 HIS H H 97 7.326 7.630 -0.304 1
1 800 . 10 1 1 A 97 97 HIS HA H 97 5.400 5.135 0.265 1
1 805 . 10 1 1 A 97 97 HIS N N 97 116.780 121.064 -4.284 1
1 806 . 10 1 1 A 98 98 PHE H H 98 8.120 8.866 -0.746 1
1 807 . 10 1 1 A 98 98 PHE HA H 98 4.430 4.645 -0.215 1
1 815 . 10 1 1 A 99 99 VAL H H 99 8.208 8.398 -0.190 1
1 816 . 10 1 1 A 99 99 VAL HA H 99 3.829 3.920 -0.091 1
1 824 . 10 1 1 A 99 99 VAL N N 99 129.253 127.373 1.880 1
1 825 . 10 1 1 A 100 100 GLY H H 100 6.578 6.181 0.397 1
1 826 . 10 1 1 A 100 100 GLY HA2 H 100 4.212 3.541 0.671 1
1 827 . 10 1 1 A 100 100 GLY HA3 H 100 3.921 3.782 0.139 1
1 828 . 10 1 1 A 100 100 GLY N N 100 104.609 105.535 -0.926 1
1 829 . 10 1 1 A 101 101 VAL H H 101 8.454 8.538 -0.084 1
1 830 . 10 1 1 A 101 101 VAL HA H 101 4.371 4.494 -0.123 1
1 838 . 10 1 1 A 101 101 VAL N N 101 116.884 116.442 0.442 1
1 839 . 10 1 1 A 102 102 GLY H H 102 8.333 8.498 -0.165 1
1 840 . 10 1 1 A 102 102 GLY HA2 H 102 3.945 4.094 -0.149 1
1 841 . 10 1 1 A 102 102 GLY HA3 H 102 3.641 4.107 -0.466 1
1 842 . 10 1 1 A 102 102 GLY N N 102 112.591 110.957 1.634 1
1 843 . 10 1 1 A 103 103 SER H H 103 7.904 7.735 0.169 1
1 844 . 10 1 1 A 103 103 SER HA H 103 4.322 5.073 -0.751 1
1 847 . 10 1 1 A 103 103 SER N N 103 114.061 114.000 0.061 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 0 0.000 1
3 1 1 1 "RMS(OBS, PRED)" CB 0 0.000 1
4 1 1 1 "RMS(OBS, PRED)" H 97 0.593 1
5 1 1 1 "RMS(OBS, PRED)" HA 104 0.416 1
6 1 1 1 "RMS(OBS, PRED)" N 95 2.990 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 0 0.000 1
9 1 2 1 "RMS(OBS, PRED)" CB 0 0.000 1
10 1 2 1 "RMS(OBS, PRED)" H 97 0.579 1
11 1 2 1 "RMS(OBS, PRED)" HA 104 0.441 1
12 1 2 1 "RMS(OBS, PRED)" N 95 3.237 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 0 0.000 1
15 1 3 1 "RMS(OBS, PRED)" CB 0 0.000 1
16 1 3 1 "RMS(OBS, PRED)" H 97 0.591 1
17 1 3 1 "RMS(OBS, PRED)" HA 104 0.415 1
18 1 3 1 "RMS(OBS, PRED)" N 95 3.148 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 0 0.000 1
21 1 4 1 "RMS(OBS, PRED)" CB 0 0.000 1
22 1 4 1 "RMS(OBS, PRED)" H 97 0.522 1
23 1 4 1 "RMS(OBS, PRED)" HA 104 0.433 1
24 1 4 1 "RMS(OBS, PRED)" N 95 2.832 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 0 0.000 1
27 1 5 1 "RMS(OBS, PRED)" CB 0 0.000 1
28 1 5 1 "RMS(OBS, PRED)" H 97 0.566 1
29 1 5 1 "RMS(OBS, PRED)" HA 104 0.428 1
30 1 5 1 "RMS(OBS, PRED)" N 95 3.070 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 0 0.000 1
33 1 6 1 "RMS(OBS, PRED)" CB 0 0.000 1
34 1 6 1 "RMS(OBS, PRED)" H 97 0.580 1
35 1 6 1 "RMS(OBS, PRED)" HA 104 0.421 1
36 1 6 1 "RMS(OBS, PRED)" N 95 3.043 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 0 0.000 1
39 1 7 1 "RMS(OBS, PRED)" CB 0 0.000 1
40 1 7 1 "RMS(OBS, PRED)" H 97 0.525 1
41 1 7 1 "RMS(OBS, PRED)" HA 104 0.429 1
42 1 7 1 "RMS(OBS, PRED)" N 95 3.064 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 0 0.000 1
45 1 8 1 "RMS(OBS, PRED)" CB 0 0.000 1
46 1 8 1 "RMS(OBS, PRED)" H 97 0.563 1
47 1 8 1 "RMS(OBS, PRED)" HA 104 0.423 1
48 1 8 1 "RMS(OBS, PRED)" N 95 2.895 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 0 0.000 1
51 1 9 1 "RMS(OBS, PRED)" CB 0 0.000 1
52 1 9 1 "RMS(OBS, PRED)" H 97 0.562 1
53 1 9 1 "RMS(OBS, PRED)" HA 104 0.438 1
54 1 9 1 "RMS(OBS, PRED)" N 95 2.960 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 0 0.000 1
57 1 10 1 "RMS(OBS, PRED)" CB 0 0.000 1
58 1 10 1 "RMS(OBS, PRED)" H 97 0.562 1
59 1 10 1 "RMS(OBS, PRED)" HA 104 0.431 1
60 1 10 1 "RMS(OBS, PRED)" N 95 3.024 1
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.Conformer_type "average"
_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.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_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.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 13 . 1 1 A 3 3 TRP H H 3 9.300 9.069 0.231 2
1 14 . 1 1 A 3 3 TRP HA H 3 5.398 4.385 1.013 2
1 23 . 1 1 A 3 3 TRP N N 3 123.555 123.782 -0.227 2
1 25 . 1 1 A 4 4 LEU H H 4 8.275 8.213 0.062 2
1 26 . 1 1 A 4 4 LEU HA H 4 3.677 3.787 -0.110 2
1 36 . 1 1 A 4 4 LEU N N 4 120.894 120.500 0.394 2
1 37 . 1 1 A 5 5 THR H H 5 8.719 8.155 0.564 2
1 38 . 1 1 A 5 5 THR HA H 5 3.799 4.012 -0.213 2
1 43 . 1 1 A 5 5 THR N N 5 117.567 115.095 2.472 2
1 44 . 1 1 A 6 6 PHE H H 6 8.735 8.414 0.321 2
1 45 . 1 1 A 6 6 PHE HA H 6 4.139 4.090 0.049 2
1 53 . 1 1 A 6 6 PHE N N 6 122.982 121.770 1.212 2
1 54 . 1 1 A 7 7 GLN H H 7 8.053 7.958 0.095 2
1 55 . 1 1 A 7 7 GLN HA H 7 3.456 3.284 0.172 2
1 62 . 1 1 A 7 7 GLN N N 7 117.062 117.879 -0.818 2
1 64 . 1 1 A 8 8 LYS H H 8 7.366 7.535 -0.170 2
1 65 . 1 1 A 8 8 LYS HA H 8 3.845 3.975 -0.130 2
1 77 . 1 1 A 8 8 LYS N N 8 117.944 120.210 -2.266 2
1 78 . 1 1 A 9 9 LYS H H 9 7.996 7.529 0.467 2
1 79 . 1 1 A 9 9 LYS HA H 9 3.969 4.005 -0.036 2
1 86 . 1 1 A 9 9 LYS N N 9 115.014 118.654 -3.640 2
1 87 . 1 1 A 10 10 HIS H H 10 7.785 7.992 -0.207 2
1 88 . 1 1 A 10 10 HIS HA H 10 4.536 4.719 -0.183 2
1 93 . 1 1 A 10 10 HIS N N 10 107.185 113.945 -6.760 2
1 94 . 1 1 A 11 11 ILE H H 11 8.179 7.410 0.769 2
1 95 . 1 1 A 11 11 ILE HA H 11 5.064 4.502 0.562 2
1 105 . 1 1 A 11 11 ILE N N 11 121.378 120.538 0.840 2
1 106 . 1 1 A 12 12 THR H H 12 8.546 8.787 -0.241 2
1 107 . 1 1 A 12 12 THR HA H 12 5.002 4.881 0.121 2
1 112 . 1 1 A 12 12 THR N N 12 120.322 120.559 -0.237 2
1 113 . 1 1 A 13 13 ASN H H 13 8.263 8.701 -0.438 2
1 114 . 1 1 A 13 13 ASN HA H 13 4.827 4.893 -0.066 2
1 119 . 1 1 A 13 13 ASN N N 13 123.517 123.584 -0.067 2
1 121 . 1 1 A 14 14 THR H H 14 7.878 7.249 0.629 2
1 122 . 1 1 A 14 14 THR HA H 14 4.395 4.486 -0.091 2
1 127 . 1 1 A 14 14 THR N N 14 113.563 112.940 0.623 2
1 128 . 1 1 A 15 15 ARG H H 15 8.545 8.329 0.216 2
1 129 . 1 1 A 15 15 ARG HA H 15 3.448 3.793 -0.345 2
1 137 . 1 1 A 15 15 ARG N N 15 126.331 126.245 0.086 2
1 138 . 1 1 A 16 16 ASP H H 16 7.846 7.230 0.616 2
1 139 . 1 1 A 16 16 ASP HA H 16 4.512 4.737 -0.225 2
1 142 . 1 1 A 16 16 ASP N N 16 121.932 118.343 3.589 2
1 143 . 1 1 A 17 17 VAL H H 17 6.499 7.907 -1.408 2
1 144 . 1 1 A 17 17 VAL HA H 17 2.954 4.200 -1.246 2
1 152 . 1 1 A 17 17 VAL N N 17 121.499 122.228 -0.729 2
1 153 . 1 1 A 18 18 ASP H H 18 8.566 8.678 -0.112 2
1 154 . 1 1 A 18 18 ASP HA H 18 4.524 4.630 -0.106 2
1 157 . 1 1 A 18 18 ASP N N 18 127.059 128.324 -1.265 2
1 158 . 1 1 A 19 19 CYS H H 19 7.838 8.467 -0.630 2
1 159 . 1 1 A 19 19 CYS HA H 19 3.556 4.088 -0.533 2
1 162 . 1 1 A 19 19 CYS N N 19 120.870 122.593 -1.722 2
1 163 . 1 1 A 20 20 ASP H H 20 8.819 8.334 0.485 2
1 164 . 1 1 A 20 20 ASP HA H 20 4.298 4.240 0.058 2
1 167 . 1 1 A 20 20 ASP N N 20 118.657 121.136 -2.479 2
1 168 . 1 1 A 21 21 ASN H H 21 6.997 7.894 -0.897 2
1 169 . 1 1 A 21 21 ASN HA H 21 4.589 4.615 -0.026 2
1 174 . 1 1 A 21 21 ASN N N 21 114.544 115.427 -0.884 2
1 176 . 1 1 A 22 22 ILE H H 22 7.844 8.111 -0.267 2
1 177 . 1 1 A 22 22 ILE HA H 22 3.957 3.688 0.269 2
1 187 . 1 1 A 22 22 ILE N N 22 119.569 120.558 -0.988 2
1 188 . 1 1 A 23 23 MET H H 23 8.494 7.899 0.595 2
1 189 . 1 1 A 23 23 MET HA H 23 4.138 4.218 -0.080 2
1 194 . 1 1 A 23 23 MET N N 23 117.955 119.621 -1.667 2
1 195 . 1 1 A 24 24 SER H H 24 7.101 7.670 -0.569 2
1 196 . 1 1 A 24 24 SER HA H 24 4.114 4.438 -0.324 2
1 199 . 1 1 A 24 24 SER N N 24 108.759 114.123 -5.364 2
1 200 . 1 1 A 25 25 THR H H 25 7.455 7.806 -0.351 2
1 201 . 1 1 A 25 25 THR HA H 25 4.553 4.436 0.117 2
1 206 . 1 1 A 25 25 THR N N 25 113.003 116.056 -3.053 2
1 207 . 1 1 A 26 26 ASN H H 26 7.468 9.105 -1.637 2
1 208 . 1 1 A 26 26 ASN HA H 26 4.070 4.574 -0.504 2
1 213 . 1 1 A 26 26 ASN N N 26 117.889 125.534 -7.646 2
1 215 . 1 1 A 27 27 LEU H H 27 7.379 8.002 -0.623 2
1 216 . 1 1 A 27 27 LEU HA H 27 3.763 4.098 -0.335 2
1 226 . 1 1 A 27 27 LEU N N 27 117.538 121.079 -3.541 2
1 227 . 1 1 A 28 28 PHE H H 28 6.693 8.066 -1.373 2
1 228 . 1 1 A 28 28 PHE HA H 28 4.334 4.421 -0.087 2
1 236 . 1 1 A 28 28 PHE N N 28 113.427 114.269 -0.841 2
1 237 . 1 1 A 29 29 HIS H H 29 8.798 9.083 -0.285 2
1 238 . 1 1 A 29 29 HIS HA H 29 4.249 4.293 -0.044 2
1 243 . 1 1 A 29 29 HIS N N 29 114.076 116.153 -2.077 2
1 244 . 1 1 A 30 30 CYS H H 30 9.153 8.781 0.372 2
1 245 . 1 1 A 30 30 CYS HA H 30 4.512 4.286 0.226 2
1 248 . 1 1 A 30 30 CYS N N 30 109.137 115.994 -6.857 2
1 249 . 1 1 A 31 31 LYS H H 31 7.521 7.778 -0.257 2
1 250 . 1 1 A 31 31 LYS HA H 31 4.334 4.505 -0.171 2
1 262 . 1 1 A 31 31 LYS N N 31 117.016 117.301 -0.285 2
1 263 . 1 1 A 32 32 ASP H H 32 8.496 8.624 -0.128 2
1 264 . 1 1 A 32 32 ASP HA H 32 4.139 4.635 -0.496 2
1 267 . 1 1 A 32 32 ASP N N 32 120.267 120.384 -0.117 2
1 268 . 1 1 A 33 33 LYS H H 33 7.519 7.656 -0.137 2
1 269 . 1 1 A 33 33 LYS HA H 33 5.563 5.221 0.342 2
1 281 . 1 1 A 33 33 LYS N N 33 114.737 114.268 0.469 2
1 282 . 1 1 A 34 34 ASN H H 34 7.794 8.329 -0.535 2
1 283 . 1 1 A 34 34 ASN HA H 34 4.477 5.064 -0.587 2
1 288 . 1 1 A 34 34 ASN N N 34 116.413 119.651 -3.238 2
1 290 . 1 1 A 35 35 THR H H 35 7.819 8.677 -0.858 2
1 291 . 1 1 A 35 35 THR HA H 35 4.454 4.438 0.016 2
1 296 . 1 1 A 35 35 THR N N 35 122.595 122.065 0.530 2
1 297 . 1 1 A 36 36 PHE H H 36 9.192 7.807 1.385 2
1 298 . 1 1 A 36 36 PHE HA H 36 4.465 5.293 -0.828 2
1 306 . 1 1 A 36 36 PHE N N 36 125.174 123.128 2.046 2
1 307 . 1 1 A 37 37 ILE H H 37 9.389 9.188 0.201 2
1 308 . 1 1 A 37 37 ILE HA H 37 4.197 4.532 -0.335 2
1 318 . 1 1 A 37 37 ILE N N 37 122.998 122.291 0.707 2
1 319 . 1 1 A 38 38 TYR H H 38 8.959 9.239 -0.280 2
1 320 . 1 1 A 38 38 TYR HA H 38 5.341 5.568 -0.227 2
1 327 . 1 1 A 38 38 TYR N N 38 129.369 130.007 -0.638 2
1 328 . 1 1 A 39 39 SER H H 39 7.608 8.202 -0.594 2
1 329 . 1 1 A 39 39 SER HA H 39 4.298 4.715 -0.416 2
1 332 . 1 1 A 39 39 SER N N 39 121.061 123.349 -2.288 2
1 333 . 1 1 A 40 40 ARG H H 40 8.441 8.521 -0.080 2
1 334 . 1 1 A 40 40 ARG HA H 40 4.633 4.576 0.057 2
1 342 . 1 1 A 40 40 ARG N N 40 123.846 122.441 1.405 2
1 343 . 1 1 A 41 41 PRO HA H 41 3.881 4.489 -0.608 2
1 350 . 1 1 A 42 42 GLU H H 42 9.361 8.514 0.847 2
1 351 . 1 1 A 42 42 GLU HA H 42 4.103 4.262 -0.159 2
1 356 . 1 1 A 42 42 GLU N N 42 118.394 118.301 0.093 2
1 357 . 1 1 A 43 43 PRO HA H 43 4.371 4.447 -0.076 2
1 364 . 1 1 A 44 44 VAL H H 44 6.810 7.247 -0.438 2
1 365 . 1 1 A 44 44 VAL HA H 44 3.823 3.790 0.033 2
1 373 . 1 1 A 44 44 VAL N N 44 116.005 116.560 -0.555 2
1 374 . 1 1 A 45 45 LYS H H 45 8.399 8.219 0.180 2
1 375 . 1 1 A 45 45 LYS HA H 45 2.748 3.941 -1.193 2
1 382 . 1 1 A 45 45 LYS N N 45 121.531 120.782 0.749 2
1 383 . 1 1 A 46 46 ALA H H 46 7.601 8.355 -0.754 2
1 384 . 1 1 A 46 46 ALA HA H 46 3.823 4.065 -0.242 2
1 388 . 1 1 A 46 46 ALA N N 46 115.333 121.264 -5.931 2
1 389 . 1 1 A 47 47 ILE H H 47 7.345 7.553 -0.207 2
1 390 . 1 1 A 47 47 ILE HA H 47 3.592 3.601 -0.009 2
1 400 . 1 1 A 47 47 ILE N N 47 119.605 118.523 1.082 2
1 401 . 1 1 A 48 48 CYS H H 48 7.094 7.803 -0.710 2
1 402 . 1 1 A 48 48 CYS HA H 48 4.589 4.723 -0.134 2
1 405 . 1 1 A 48 48 CYS N N 48 111.804 115.493 -3.689 2
1 406 . 1 1 A 49 49 LYS H H 49 7.223 7.317 -0.094 2
1 407 . 1 1 A 49 49 LYS HA H 49 3.787 3.882 -0.095 2
1 416 . 1 1 A 49 49 LYS N N 49 123.849 123.273 0.576 2
1 417 . 1 1 A 50 50 GLY H H 50 9.126 9.027 0.099 2
1 418 . 1 1 A 50 50 GLY HA2 H 50 4.018 3.921 0.097 2
1 419 . 1 1 A 50 50 GLY HA3 H 50 3.398 3.922 -0.524 2
1 420 . 1 1 A 50 50 GLY N N 50 114.134 114.554 -0.420 2
1 421 . 1 1 A 51 51 ILE H H 51 7.759 7.959 -0.200 2
1 422 . 1 1 A 51 51 ILE HA H 51 3.904 4.144 -0.240 2
1 432 . 1 1 A 51 51 ILE N N 51 122.336 122.462 -0.126 2
1 433 . 1 1 A 52 52 ILE H H 52 8.204 8.796 -0.592 2
1 434 . 1 1 A 52 52 ILE HA H 52 3.706 4.255 -0.549 2
1 444 . 1 1 A 52 52 ILE N N 52 128.010 129.128 -1.118 2
1 445 . 1 1 A 53 53 ALA H H 53 7.722 7.653 0.069 2
1 446 . 1 1 A 53 53 ALA HA H 53 4.220 4.339 -0.119 2
1 450 . 1 1 A 53 53 ALA N N 53 123.517 124.987 -1.470 2
1 451 . 1 1 A 54 54 SER H H 54 7.929 8.614 -0.685 2
1 452 . 1 1 A 54 54 SER HA H 54 4.885 4.950 -0.065 2
1 455 . 1 1 A 54 54 SER N N 54 112.613 117.118 -4.505 2
1 456 . 1 1 A 55 55 LYS H H 55 8.361 8.527 -0.166 2
1 457 . 1 1 A 55 55 LYS HA H 55 4.261 4.974 -0.713 2
1 466 . 1 1 A 55 55 LYS N N 55 126.198 123.735 2.463 2
1 467 . 1 1 A 56 56 ASN H H 56 8.677 8.728 -0.051 2
1 468 . 1 1 A 56 56 ASN HA H 56 5.629 5.178 0.451 2
1 473 . 1 1 A 56 56 ASN N N 56 125.474 121.192 4.282 2
1 475 . 1 1 A 57 57 VAL H H 57 9.071 9.059 0.012 2
1 476 . 1 1 A 57 57 VAL HA H 57 4.102 4.634 -0.532 2
1 484 . 1 1 A 57 57 VAL N N 57 122.842 124.732 -1.890 2
1 485 . 1 1 A 58 58 LEU H H 58 8.003 8.716 -0.713 2
1 486 . 1 1 A 58 58 LEU HA H 58 4.565 4.924 -0.359 2
1 496 . 1 1 A 58 58 LEU N N 58 126.427 128.012 -1.585 2
1 497 . 1 1 A 59 59 THR H H 59 8.729 8.944 -0.215 2
1 498 . 1 1 A 59 59 THR HA H 59 4.018 4.012 0.006 2
1 503 . 1 1 A 59 59 THR N N 59 117.852 119.830 -1.978 2
1 504 . 1 1 A 60 60 THR H H 60 8.464 8.874 -0.410 2
1 505 . 1 1 A 60 60 THR HA H 60 4.152 4.432 -0.280 2
1 510 . 1 1 A 60 60 THR N N 60 110.875 120.440 -9.565 2
1 511 . 1 1 A 61 61 SER H H 61 7.518 7.847 -0.329 2
1 512 . 1 1 A 61 61 SER HA H 61 4.553 4.847 -0.294 2
1 515 . 1 1 A 61 61 SER N N 61 114.743 116.433 -1.690 2
1 516 . 1 1 A 62 62 GLU H H 62 8.363 8.554 -0.191 2
1 517 . 1 1 A 62 62 GLU HA H 62 4.045 5.132 -1.087 2
1 522 . 1 1 A 62 62 GLU N N 62 119.457 121.065 -1.608 2
1 523 . 1 1 A 63 63 PHE H H 63 8.539 9.518 -0.979 2
1 524 . 1 1 A 63 63 PHE HA H 63 4.512 4.925 -0.413 2
1 532 . 1 1 A 63 63 PHE N N 63 121.301 122.545 -1.244 2
1 533 . 1 1 A 64 64 TYR H H 64 9.648 9.100 0.548 2
1 534 . 1 1 A 64 64 TYR HA H 64 4.839 5.006 -0.168 2
1 541 . 1 1 A 64 64 TYR N N 64 119.292 120.474 -1.182 2
1 542 . 1 1 A 65 65 LEU H H 65 9.244 9.608 -0.364 2
1 543 . 1 1 A 65 65 LEU HA H 65 5.308 5.245 0.063 2
1 553 . 1 1 A 65 65 LEU N N 65 125.959 126.157 -0.198 2
1 554 . 1 1 A 66 66 SER H H 66 9.446 8.832 0.614 2
1 555 . 1 1 A 66 66 SER HA H 66 5.096 5.306 -0.209 2
1 558 . 1 1 A 66 66 SER N N 66 121.031 122.032 -1.001 2
1 559 . 1 1 A 67 67 ASP H H 67 9.348 9.556 -0.208 2
1 560 . 1 1 A 67 67 ASP HA H 67 5.459 4.928 0.531 2
1 563 . 1 1 A 67 67 ASP N N 67 125.532 126.258 -0.726 2
1 564 . 1 1 A 68 68 CYS H H 68 8.355 8.487 -0.132 2
1 565 . 1 1 A 68 68 CYS HA H 68 5.131 5.293 -0.162 2
1 568 . 1 1 A 68 68 CYS N N 68 118.606 122.809 -4.204 2
1 569 . 1 1 A 69 69 ASN H H 69 8.586 8.893 -0.307 2
1 570 . 1 1 A 69 69 ASN HA H 69 5.471 5.214 0.257 2
1 575 . 1 1 A 69 69 ASN N N 69 121.731 123.513 -1.782 2
1 577 . 1 1 A 70 70 VAL H H 70 9.041 8.552 0.489 2
1 578 . 1 1 A 70 70 VAL HA H 70 3.446 4.280 -0.834 2
1 586 . 1 1 A 70 70 VAL N N 70 128.654 126.983 1.671 2
1 587 . 1 1 A 71 71 THR H H 71 8.073 8.319 -0.246 2
1 588 . 1 1 A 71 71 THR HA H 71 4.562 4.791 -0.229 2
1 593 . 1 1 A 71 71 THR N N 71 116.683 117.609 -0.926 2
1 594 . 1 1 A 72 72 SER H H 72 8.060 8.720 -0.660 2
1 595 . 1 1 A 72 72 SER HA H 72 4.102 4.284 -0.182 2
1 598 . 1 1 A 73 73 ARG H H 73 7.728 7.664 0.064 2
1 599 . 1 1 A 73 73 ARG HA H 73 4.577 4.514 0.063 2
1 607 . 1 1 A 73 73 ARG N N 73 124.362 119.870 4.492 2
1 608 . 1 1 A 74 74 PRO HA H 74 3.845 4.250 -0.406 2
1 615 . 1 1 A 75 75 CYS H H 75 8.594 8.715 -0.121 2
1 616 . 1 1 A 75 75 CYS HA H 75 4.113 4.270 -0.157 2
1 619 . 1 1 A 75 75 CYS N N 75 120.291 118.945 1.346 2
1 620 . 1 1 A 76 76 LYS H H 76 7.041 7.497 -0.456 2
1 621 . 1 1 A 76 76 LYS HA H 76 4.745 4.547 0.198 2
1 628 . 1 1 A 76 76 LYS N N 76 116.469 120.196 -3.727 2
1 629 . 1 1 A 77 77 TYR H H 77 9.907 8.592 1.315 2
1 630 . 1 1 A 77 77 TYR HA H 77 4.301 5.315 -1.014 2
1 637 . 1 1 A 77 77 TYR N N 77 123.774 120.313 3.461 2
1 638 . 1 1 A 78 78 LYS H H 78 8.852 8.756 0.096 2
1 639 . 1 1 A 78 78 LYS HA H 78 4.529 5.038 -0.509 2
1 651 . 1 1 A 78 78 LYS N N 78 120.664 119.200 1.464 2
1 652 . 1 1 A 79 79 LEU H H 79 8.392 8.582 -0.190 2
1 653 . 1 1 A 79 79 LEU HA H 79 5.259 4.743 0.516 2
1 663 . 1 1 A 79 79 LEU N N 79 126.842 124.312 2.530 2
1 664 . 1 1 A 80 80 LYS H H 80 9.300 8.908 0.392 2
1 665 . 1 1 A 80 80 LYS HA H 80 4.745 4.914 -0.169 2
1 672 . 1 1 A 80 80 LYS N N 80 128.617 126.959 1.658 2
1 673 . 1 1 A 81 81 LYS H H 81 9.242 8.973 0.269 2
1 674 . 1 1 A 81 81 LYS HA H 81 5.159 5.003 0.156 2
1 683 . 1 1 A 81 81 LYS N N 81 130.142 128.447 1.695 2
1 684 . 1 1 A 82 82 SER H H 82 8.828 9.290 -0.462 2
1 685 . 1 1 A 82 82 SER HA H 82 4.753 5.210 -0.457 2
1 688 . 1 1 A 82 82 SER N N 82 117.009 121.071 -4.062 2
1 689 . 1 1 A 83 83 THR H H 83 8.402 8.767 -0.365 2
1 690 . 1 1 A 83 83 THR HA H 83 5.374 5.661 -0.287 2
1 695 . 1 1 A 83 83 THR N N 83 115.259 118.158 -2.899 2
1 696 . 1 1 A 84 84 ASN H H 84 9.053 8.795 0.258 2
1 697 . 1 1 A 84 84 ASN HA H 84 4.863 5.303 -0.440 2
1 702 . 1 1 A 84 84 ASN N N 84 121.758 123.330 -1.572 2
1 704 . 1 1 A 85 85 LYS H H 85 8.837 8.320 0.517 2
1 705 . 1 1 A 85 85 LYS HA H 85 4.401 4.691 -0.290 2
1 712 . 1 1 A 85 85 LYS N N 85 120.865 119.953 0.913 2
1 713 . 1 1 A 86 86 PHE H H 86 7.830 8.492 -0.662 2
1 714 . 1 1 A 86 86 PHE HA H 86 4.944 5.370 -0.427 2
1 722 . 1 1 A 86 86 PHE N N 86 114.090 116.822 -2.731 2
1 723 . 1 1 A 87 87 ALA H H 87 8.702 8.795 -0.093 2
1 724 . 1 1 A 87 87 ALA HA H 87 5.715 5.562 0.153 2
1 728 . 1 1 A 87 87 ALA N N 87 121.161 122.172 -1.011 2
1 729 . 1 1 A 88 88 VAL H H 88 8.472 8.953 -0.481 2
1 730 . 1 1 A 88 88 VAL HA H 88 4.918 4.942 -0.024 2
1 738 . 1 1 A 88 88 VAL N N 88 112.187 116.959 -4.771 2
1 739 . 1 1 A 89 89 THR H H 89 8.469 9.003 -0.534 2
1 740 . 1 1 A 89 89 THR HA H 89 4.760 4.871 -0.111 2
1 745 . 1 1 A 89 89 THR N N 89 118.002 118.455 -0.453 2
1 746 . 1 1 A 90 90 CYS H H 90 9.106 8.960 0.146 2
1 747 . 1 1 A 90 90 CYS HA H 90 5.049 5.779 -0.730 2
1 750 . 1 1 A 90 90 CYS N N 90 126.735 125.330 1.405 2
1 751 . 1 1 A 91 91 GLU H H 91 8.687 8.890 -0.203 2
1 752 . 1 1 A 91 91 GLU HA H 91 4.079 4.545 -0.466 2
1 757 . 1 1 A 91 91 GLU N N 91 118.639 122.135 -3.496 2
1 758 . 1 1 A 92 92 ASN H H 92 10.229 9.763 0.466 2
1 759 . 1 1 A 92 92 ASN HA H 92 4.237 4.386 -0.149 2
1 764 . 1 1 A 92 92 ASN N N 92 126.427 126.114 0.313 2
1 766 . 1 1 A 93 93 GLN H H 93 8.746 8.691 0.055 2
1 767 . 1 1 A 93 93 GLN HA H 93 3.939 3.965 -0.025 2
1 774 . 1 1 A 93 93 GLN N N 93 105.324 109.130 -3.806 2
1 776 . 1 1 A 94 94 ALA H H 94 7.487 7.399 0.088 2
1 777 . 1 1 A 94 94 ALA HA H 94 4.313 4.559 -0.246 2
1 781 . 1 1 A 94 94 ALA N N 94 118.760 119.572 -0.812 2
1 782 . 1 1 A 95 95 PRO HA H 95 5.061 4.842 0.219 2
1 789 . 1 1 A 96 96 VAL H H 96 8.499 8.465 0.034 2
1 790 . 1 1 A 96 96 VAL HA H 96 4.443 4.400 0.043 2
1 798 . 1 1 A 96 96 VAL N N 96 108.711 117.248 -8.537 2
1 799 . 1 1 A 97 97 HIS H H 97 7.326 7.428 -0.102 2
1 800 . 1 1 A 97 97 HIS HA H 97 5.400 5.083 0.317 2
1 805 . 1 1 A 97 97 HIS N N 97 116.780 120.940 -4.160 2
1 806 . 1 1 A 98 98 PHE H H 98 8.120 8.771 -0.651 2
1 807 . 1 1 A 98 98 PHE HA H 98 4.430 4.706 -0.276 2
1 815 . 1 1 A 99 99 VAL H H 99 8.208 8.543 -0.335 2
1 816 . 1 1 A 99 99 VAL HA H 99 3.829 3.840 -0.011 2
1 824 . 1 1 A 99 99 VAL N N 99 129.253 127.232 2.021 2
1 825 . 1 1 A 100 100 GLY H H 100 6.578 6.123 0.455 2
1 826 . 1 1 A 100 100 GLY HA2 H 100 4.212 3.596 0.616 2
1 827 . 1 1 A 100 100 GLY HA3 H 100 3.921 3.808 0.112 2
1 828 . 1 1 A 100 100 GLY N N 100 104.609 105.380 -0.771 2
1 829 . 1 1 A 101 101 VAL H H 101 8.454 8.459 -0.005 2
1 830 . 1 1 A 101 101 VAL HA H 101 4.371 4.578 -0.207 2
1 838 . 1 1 A 101 101 VAL N N 101 116.884 116.917 -0.033 2
1 839 . 1 1 A 102 102 GLY H H 102 8.333 8.502 -0.169 2
1 840 . 1 1 A 102 102 GLY HA2 H 102 3.945 4.134 -0.189 2
1 841 . 1 1 A 102 102 GLY HA3 H 102 3.641 4.150 -0.509 2
1 842 . 1 1 A 102 102 GLY N N 102 112.591 110.798 1.793 2
1 843 . 1 1 A 103 103 SER H H 103 7.904 8.544 -0.640 2
1 844 . 1 1 A 103 103 SER HA H 103 4.322 5.094 -0.772 2
1 847 . 1 1 A 103 103 SER N N 103 114.061 116.277 -2.216 2
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