data_15926_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15926
_Entry.PDB_ID 2K7R
_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 20
_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 6 . 1 1 1 A 2 2 GLU HA H 2 4.671 4.704 -0.033 1
1 11 . 1 1 1 A 3 3 PRO HA H 3 4.473 4.487 -0.014 1
1 18 . 1 1 1 A 4 4 ILE H H 4 8.270 8.471 -0.201 1
1 19 . 1 1 1 A 4 4 ILE HA H 4 4.156 3.950 0.206 1
1 29 . 1 1 1 A 4 4 ILE N N 4 121.501 120.868 0.633 1
1 30 . 1 1 1 A 5 5 GLY H H 5 8.516 7.861 0.655 1
1 31 . 1 1 1 A 5 5 GLY HA2 H 5 3.952 3.974 -0.022 1
1 32 . 1 1 1 A 5 5 GLY HA3 H 5 3.992 3.974 0.018 1
1 33 . 1 1 1 A 5 5 GLY N N 5 112.831 109.750 3.081 1
1 34 . 1 1 1 A 6 6 ARG H H 6 8.197 7.700 0.497 1
1 35 . 1 1 1 A 6 6 ARG HA H 6 4.383 4.307 0.076 1
1 42 . 1 1 1 A 6 6 ARG N N 6 121.014 123.312 -2.298 1
1 43 . 1 1 1 A 7 7 SER H H 7 8.400 8.821 -0.421 1
1 44 . 1 1 1 A 7 7 SER HA H 7 4.472 4.501 -0.029 1
1 47 . 1 1 1 A 7 7 SER N N 7 116.921 118.609 -1.688 1
1 48 . 1 1 1 A 8 8 LEU H H 8 8.376 7.415 0.961 1
1 49 . 1 1 1 A 8 8 LEU HA H 8 4.390 4.388 0.002 1
1 59 . 1 1 1 A 8 8 LEU N N 8 124.394 122.745 1.649 1
1 60 . 1 1 1 A 9 9 GLN H H 9 8.292 8.195 0.097 1
1 61 . 1 1 1 A 9 9 GLN HA H 9 4.323 5.144 -0.821 1
1 68 . 1 1 1 A 9 9 GLN N N 9 120.593 120.025 0.568 1
1 70 . 1 1 1 A 10 10 GLY H H 10 8.417 8.859 -0.442 1
1 71 . 1 1 1 A 10 10 GLY HA2 H 10 3.992 4.014 -0.022 1
1 72 . 1 1 1 A 10 10 GLY HA3 H 10 3.992 4.014 -0.022 1
1 73 . 1 1 1 A 10 10 GLY N N 10 110.179 109.892 0.287 1
1 74 . 1 1 1 A 11 11 VAL H H 11 8.040 8.549 -0.509 1
1 75 . 1 1 1 A 11 11 VAL HA H 11 4.208 4.255 -0.047 1
1 83 . 1 1 1 A 11 11 VAL N N 11 119.334 121.976 -2.642 1
1 84 . 1 1 1 A 12 12 THR H H 12 8.210 8.630 -0.420 1
1 85 . 1 1 1 A 12 12 THR HA H 12 4.285 4.066 0.219 1
1 90 . 1 1 1 A 12 12 THR N N 12 117.160 117.111 0.049 1
1 91 . 1 1 1 A 13 13 GLY H H 13 8.388 8.111 0.277 1
1 92 . 1 1 1 A 13 13 GLY HA2 H 13 3.988 3.949 0.039 1
1 93 . 1 1 1 A 13 13 GLY HA3 H 13 4.027 3.950 0.077 1
1 94 . 1 1 1 A 13 13 GLY N N 13 111.151 109.305 1.846 1
1 95 . 1 1 1 A 14 14 ARG H H 14 8.169 8.215 -0.046 1
1 96 . 1 1 1 A 14 14 ARG HA H 14 4.668 4.849 -0.181 1
1 103 . 1 1 1 A 14 14 ARG N N 14 121.499 121.200 0.299 1
1 104 . 1 1 1 A 15 15 PRO HA H 15 4.426 4.701 -0.275 1
1 111 . 1 1 1 A 16 16 ASP H H 16 8.475 9.124 -0.649 1
1 112 . 1 1 1 A 16 16 ASP HA H 16 4.556 4.406 0.150 1
1 115 . 1 1 1 A 16 16 ASP N N 16 119.586 122.644 -3.058 1
1 116 . 1 1 1 A 17 17 PHE H H 17 8.179 8.362 -0.183 1
1 117 . 1 1 1 A 17 17 PHE HA H 17 4.366 4.099 0.267 1
1 125 . 1 1 1 A 17 17 PHE N N 17 121.747 120.261 1.486 1
1 126 . 1 1 1 A 18 18 GLN H H 18 8.200 8.412 -0.212 1
1 127 . 1 1 1 A 18 18 GLN HA H 18 3.998 3.878 0.120 1
1 134 . 1 1 1 A 18 18 GLN N N 18 119.816 117.129 2.687 1
1 136 . 1 1 1 A 19 19 LYS H H 19 7.986 7.747 0.239 1
1 137 . 1 1 1 A 19 19 LYS HA H 19 4.126 4.095 0.031 1
1 146 . 1 1 1 A 19 19 LYS N N 19 120.081 119.222 0.859 1
1 147 . 1 1 1 A 20 20 ARG H H 20 7.918 7.664 0.254 1
1 148 . 1 1 1 A 20 20 ARG HA H 20 4.125 3.956 0.169 1
1 155 . 1 1 1 A 20 20 ARG N N 20 118.851 119.661 -0.810 1
1 156 . 1 1 1 A 21 21 LEU H H 21 7.954 8.098 -0.144 1
1 157 . 1 1 1 A 21 21 LEU HA H 21 4.127 3.758 0.369 1
1 167 . 1 1 1 A 21 21 LEU N N 21 121.258 121.116 0.142 1
1 168 . 1 1 1 A 22 22 GLU H H 22 8.169 8.904 -0.735 1
1 169 . 1 1 1 A 22 22 GLU HA H 22 3.981 3.977 0.004 1
1 174 . 1 1 1 A 22 22 GLU N N 22 119.093 117.058 2.035 1
1 175 . 1 1 1 A 23 23 GLN H H 23 8.015 7.593 0.422 1
1 176 . 1 1 1 A 23 23 GLN HA H 23 4.174 4.021 0.153 1
1 183 . 1 1 1 A 23 23 GLN N N 23 119.335 119.824 -0.489 1
1 185 . 1 1 1 A 24 24 MET H H 24 8.209 8.676 -0.467 1
1 186 . 1 1 1 A 24 24 MET HA H 24 4.005 3.995 0.010 1
1 194 . 1 1 1 A 24 24 MET N N 24 119.750 118.340 1.410 1
1 195 . 1 1 1 A 25 25 LYS H H 25 8.387 8.097 0.290 1
1 196 . 1 1 1 A 25 25 LYS HA H 25 3.797 3.848 -0.051 1
1 205 . 1 1 1 A 25 25 LYS N N 25 119.097 120.500 -1.403 1
1 206 . 1 1 1 A 26 26 GLU H H 26 7.936 7.836 0.100 1
1 207 . 1 1 1 A 26 26 GLU HA H 26 3.989 4.077 -0.088 1
1 212 . 1 1 1 A 26 26 GLU N N 26 117.895 118.678 -0.783 1
1 213 . 1 1 1 A 27 27 LYS H H 27 7.608 8.168 -0.560 1
1 214 . 1 1 1 A 27 27 LYS HA H 27 4.027 4.093 -0.066 1
1 223 . 1 1 1 A 27 27 LYS N N 27 117.438 119.210 -1.772 1
1 224 . 1 1 1 A 28 28 VAL H H 28 8.285 8.504 -0.219 1
1 225 . 1 1 1 A 28 28 VAL HA H 28 3.813 3.690 0.123 1
1 233 . 1 1 1 A 28 28 VAL N N 28 118.134 119.710 -1.576 1
1 234 . 1 1 1 A 29 29 MET H H 29 8.030 7.704 0.326 1
1 235 . 1 1 1 A 29 29 MET HA H 29 4.422 4.662 -0.240 1
1 243 . 1 1 1 A 29 29 MET N N 29 112.840 117.623 -4.783 1
1 244 . 1 1 1 A 30 30 LYS H H 30 7.320 7.672 -0.352 1
1 245 . 1 1 1 A 30 30 LYS HA H 30 4.304 4.491 -0.187 1
1 254 . 1 1 1 A 30 30 LYS N N 30 116.038 117.637 -1.599 1
1 255 . 1 1 1 A 31 31 ASP H H 31 7.495 7.434 0.061 1
1 256 . 1 1 1 A 31 31 ASP HA H 31 4.594 4.723 -0.129 1
1 259 . 1 1 1 A 31 31 ASP N N 31 122.944 121.218 1.726 1
1 260 . 1 1 1 A 32 32 GLN H H 32 9.076 8.946 0.130 1
1 261 . 1 1 1 A 32 32 GLN HA H 32 4.029 4.058 -0.029 1
1 268 . 1 1 1 A 32 32 GLN N N 32 126.326 125.173 1.153 1
1 270 . 1 1 1 A 33 33 ASP H H 33 8.456 8.223 0.233 1
1 271 . 1 1 1 A 33 33 ASP HA H 33 4.671 4.522 0.149 1
1 274 . 1 1 1 A 33 33 ASP N N 33 122.586 119.506 3.080 1
1 275 . 1 1 1 A 34 34 VAL H H 34 9.317 7.821 1.496 1
1 276 . 1 1 1 A 34 34 VAL HA H 34 3.521 3.615 -0.094 1
1 284 . 1 1 1 A 34 34 VAL N N 34 124.689 120.618 4.071 1
1 285 . 1 1 1 A 35 35 GLN H H 35 8.633 8.078 0.555 1
1 286 . 1 1 1 A 35 35 GLN HA H 35 3.901 3.988 -0.087 1
1 293 . 1 1 1 A 35 35 GLN N N 35 117.209 118.873 -1.664 1
1 295 . 1 1 1 A 36 36 ALA H H 36 7.935 7.614 0.321 1
1 296 . 1 1 1 A 36 36 ALA HA H 36 4.211 4.134 0.077 1
1 300 . 1 1 1 A 36 36 ALA N N 36 121.503 122.256 -0.753 1
1 301 . 1 1 1 A 37 37 PHE H H 37 7.862 8.362 -0.500 1
1 302 . 1 1 1 A 37 37 PHE HA H 37 4.357 4.318 0.039 1
1 310 . 1 1 1 A 37 37 PHE N N 37 121.040 119.640 1.400 1
1 311 . 1 1 1 A 38 38 LEU H H 38 8.848 8.959 -0.111 1
1 312 . 1 1 1 A 38 38 LEU HA H 38 3.581 3.733 -0.152 1
1 322 . 1 1 1 A 38 38 LEU N N 38 120.561 119.455 1.106 1
1 323 . 1 1 1 A 39 39 LYS H H 39 7.885 8.000 -0.115 1
1 324 . 1 1 1 A 39 39 LYS HA H 39 4.142 4.245 -0.103 1
1 333 . 1 1 1 A 39 39 LYS N N 39 118.613 118.521 0.092 1
1 334 . 1 1 1 A 40 40 GLU H H 40 8.134 7.716 0.418 1
1 335 . 1 1 1 A 40 40 GLU HA H 40 4.054 3.995 0.059 1
1 340 . 1 1 1 A 40 40 GLU N N 40 119.387 119.755 -0.368 1
1 341 . 1 1 1 A 41 41 ASN H H 41 7.089 7.420 -0.331 1
1 342 . 1 1 1 A 41 41 ASN HA H 41 4.933 4.939 -0.006 1
1 347 . 1 1 1 A 41 41 ASN N N 41 114.032 115.501 -1.469 1
1 349 . 1 1 1 A 42 42 GLU H H 42 7.086 8.233 -1.147 1
1 350 . 1 1 1 A 42 42 GLU HA H 42 3.957 3.995 -0.038 1
1 355 . 1 1 1 A 42 42 GLU N N 42 121.023 119.284 1.739 1
1 356 . 1 1 1 A 43 43 GLU H H 43 8.648 7.668 0.980 1
1 357 . 1 1 1 A 43 43 GLU HA H 43 4.207 4.083 0.124 1
1 362 . 1 1 1 A 43 43 GLU N N 43 115.965 120.555 -4.590 1
1 363 . 1 1 1 A 44 44 VAL H H 44 7.526 7.421 0.105 1
1 364 . 1 1 1 A 44 44 VAL HA H 44 4.445 4.078 0.367 1
1 372 . 1 1 1 A 44 44 VAL N N 44 110.987 116.958 -5.971 1
1 373 . 1 1 1 A 45 45 ILE H H 45 7.246 7.870 -0.624 1
1 374 . 1 1 1 A 45 45 ILE HA H 45 4.531 4.087 0.444 1
1 384 . 1 1 1 A 45 45 ILE N N 45 119.815 119.258 0.557 1
1 385 . 1 1 1 A 46 46 ASP H H 46 7.351 8.427 -1.076 1
1 386 . 1 1 1 A 46 46 ASP HA H 46 4.958 4.991 -0.033 1
1 389 . 1 1 1 A 46 46 ASP N N 46 124.659 126.721 -2.062 1
1 390 . 1 1 1 A 47 47 GLN H H 47 8.504 8.951 -0.447 1
1 391 . 1 1 1 A 47 47 GLN HA H 47 3.949 3.951 -0.002 1
1 398 . 1 1 1 A 47 47 GLN N N 47 117.654 123.640 -5.986 1
1 400 . 1 1 1 A 48 48 LYS H H 48 8.030 8.066 -0.036 1
1 401 . 1 1 1 A 48 48 LYS HA H 48 4.132 4.044 0.088 1
1 410 . 1 1 1 A 48 48 LYS N N 48 119.335 119.340 -0.005 1
1 411 . 1 1 1 A 49 49 MET H H 49 8.250 8.202 0.048 1
1 412 . 1 1 1 A 49 49 MET HA H 49 4.132 4.169 -0.037 1
1 420 . 1 1 1 A 49 49 MET N N 49 120.061 118.942 1.119 1
1 421 . 1 1 1 A 50 50 ILE H H 50 7.726 7.894 -0.168 1
1 422 . 1 1 1 A 50 50 ILE HA H 50 3.379 3.632 -0.253 1
1 432 . 1 1 1 A 50 50 ILE N N 50 120.912 119.790 1.122 1
1 433 . 1 1 1 A 51 51 GLU H H 51 8.044 7.836 0.208 1
1 434 . 1 1 1 A 51 51 GLU HA H 51 3.906 4.023 -0.117 1
1 439 . 1 1 1 A 51 51 GLU N N 51 117.413 118.853 -1.440 1
1 440 . 1 1 1 A 52 52 LYS H H 52 8.249 8.245 0.004 1
1 441 . 1 1 1 A 52 52 LYS HA H 52 4.318 4.102 0.216 1
1 450 . 1 1 1 A 52 52 LYS N N 52 117.183 121.005 -3.822 1
1 451 . 1 1 1 A 53 53 SER H H 53 7.664 8.238 -0.574 1
1 452 . 1 1 1 A 53 53 SER HA H 53 5.067 4.912 0.155 1
1 455 . 1 1 1 A 53 53 SER N N 53 113.070 114.687 -1.617 1
1 456 . 1 1 1 A 54 54 LEU H H 54 7.375 7.666 -0.291 1
1 457 . 1 1 1 A 54 54 LEU HA H 54 3.980 3.929 0.051 1
1 467 . 1 1 1 A 54 54 LEU N N 54 123.828 123.608 0.220 1
1 468 . 1 1 1 A 55 55 ASN H H 55 8.705 8.510 0.195 1
1 469 . 1 1 1 A 55 55 ASN HA H 55 4.434 4.471 -0.037 1
1 474 . 1 1 1 A 55 55 ASN N N 55 114.672 116.367 -1.695 1
1 476 . 1 1 1 A 56 56 LYS H H 56 7.685 7.798 -0.113 1
1 477 . 1 1 1 A 56 56 LYS HA H 56 4.289 4.130 0.159 1
1 486 . 1 1 1 A 56 56 LYS N N 56 121.417 119.083 2.334 1
1 487 . 1 1 1 A 57 57 LEU H H 57 8.120 8.441 -0.321 1
1 488 . 1 1 1 A 57 57 LEU HA H 57 3.948 3.954 -0.006 1
1 498 . 1 1 1 A 57 57 LEU N N 57 118.616 119.421 -0.805 1
1 499 . 1 1 1 A 58 58 TYR H H 58 8.659 8.795 -0.136 1
1 500 . 1 1 1 A 58 58 TYR HA H 58 4.124 4.099 0.025 1
1 507 . 1 1 1 A 58 58 TYR N N 58 119.812 119.759 0.053 1
1 508 . 1 1 1 A 59 59 GLU H H 59 7.999 8.578 -0.579 1
1 509 . 1 1 1 A 59 59 GLU HA H 59 3.945 4.007 -0.062 1
1 514 . 1 1 1 A 59 59 GLU N N 59 118.851 119.431 -0.580 1
1 515 . 1 1 1 A 60 60 TYR H H 60 8.132 8.344 -0.212 1
1 516 . 1 1 1 A 60 60 TYR HA H 60 4.056 4.100 -0.044 1
1 523 . 1 1 1 A 60 60 TYR N N 60 118.616 121.213 -2.597 1
1 524 . 1 1 1 A 61 61 ILE H H 61 7.985 7.683 0.302 1
1 525 . 1 1 1 A 61 61 ILE HA H 61 3.638 3.684 -0.046 1
1 535 . 1 1 1 A 61 61 ILE N N 61 115.242 117.730 -2.488 1
1 536 . 1 1 1 A 62 62 GLU H H 62 7.409 8.075 -0.666 1
1 537 . 1 1 1 A 62 62 GLU HA H 62 4.056 3.804 0.252 1
1 542 . 1 1 1 A 62 62 GLU N N 62 118.370 121.844 -3.474 1
1 543 . 1 1 1 A 63 63 GLN H H 63 7.320 7.368 -0.048 1
1 544 . 1 1 1 A 63 63 GLN HA H 63 4.583 4.466 0.117 1
1 551 . 1 1 1 A 63 63 GLN N N 63 118.398 119.420 -1.022 1
1 553 . 1 1 1 A 64 64 SER H H 64 8.134 8.359 -0.225 1
1 554 . 1 1 1 A 64 64 SER HA H 64 4.122 4.324 -0.202 1
1 557 . 1 1 1 A 64 64 SER N N 64 115.490 116.476 -0.986 1
1 558 . 1 1 1 A 65 65 LYS H H 65 8.663 8.515 0.148 1
1 559 . 1 1 1 A 65 65 LYS HA H 65 4.132 4.024 0.108 1
1 562 . 1 1 1 A 65 65 LYS N N 65 122.473 128.303 -5.830 1
1 563 . 1 1 1 A 66 66 ASN H H 66 8.010 7.718 0.292 1
1 564 . 1 1 1 A 66 66 ASN HA H 66 3.809 4.452 -0.643 1
1 569 . 1 1 1 A 66 66 ASN N N 66 117.420 116.878 0.542 1
1 571 . 1 1 1 A 67 67 CYS H H 67 7.649 8.440 -0.791 1
1 572 . 1 1 1 A 67 67 CYS HA H 67 5.108 4.753 0.355 1
1 575 . 1 1 1 A 67 67 CYS N N 67 116.684 118.211 -1.527 1
1 576 . 1 1 1 A 68 68 SER H H 68 8.891 9.242 -0.351 1
1 577 . 1 1 1 A 68 68 SER HA H 68 4.379 4.743 -0.364 1
1 580 . 1 1 1 A 68 68 SER N N 68 115.241 118.237 -2.996 1
1 581 . 1 1 1 A 69 69 TYR H H 69 9.864 7.896 1.968 1
1 582 . 1 1 1 A 69 69 TYR HA H 69 4.569 4.149 0.420 1
1 589 . 1 1 1 A 69 69 TYR N N 69 124.277 122.433 1.844 1
1 590 . 1 1 1 A 70 70 CYS H H 70 7.841 7.910 -0.069 1
1 591 . 1 1 1 A 70 70 CYS HA H 70 4.920 4.775 0.145 1
1 594 . 1 1 1 A 70 70 CYS N N 70 115.300 114.256 1.044 1
1 595 . 1 1 1 A 71 71 SER H H 71 8.032 8.380 -0.348 1
1 596 . 1 1 1 A 71 71 SER HA H 71 4.673 4.720 -0.047 1
1 599 . 1 1 1 A 71 71 SER N N 71 119.327 115.906 3.421 1
1 600 . 1 1 1 A 72 72 GLU H H 72 8.701 8.732 -0.031 1
1 601 . 1 1 1 A 72 72 GLU HA H 72 4.459 4.401 0.058 1
1 606 . 1 1 1 A 72 72 GLU N N 72 122.947 120.863 2.084 1
1 607 . 1 1 1 A 73 73 ASP H H 73 8.053 7.602 0.451 1
1 608 . 1 1 1 A 73 73 ASP HA H 73 4.529 4.823 -0.294 1
1 611 . 1 1 1 A 73 73 ASP N N 73 120.929 121.937 -1.008 1
1 612 . 1 1 1 A 74 74 GLU H H 74 8.754 8.545 0.209 1
1 613 . 1 1 1 A 74 74 GLU HA H 74 4.251 4.312 -0.061 1
1 618 . 1 1 1 A 74 74 GLU N N 74 122.241 125.147 -2.906 1
1 619 . 1 1 1 A 75 75 ASN H H 75 8.564 7.843 0.721 1
1 620 . 1 1 1 A 75 75 ASN HA H 75 4.803 4.664 0.139 1
1 625 . 1 1 1 A 75 75 ASN N N 75 117.681 116.780 0.901 1
1 627 . 1 1 1 A 76 76 CYS H H 76 7.923 7.646 0.277 1
1 628 . 1 1 1 A 76 76 CYS HA H 76 4.377 4.617 -0.240 1
1 631 . 1 1 1 A 76 76 CYS N N 76 120.055 118.273 1.782 1
1 632 . 1 1 1 A 77 77 ASN H H 77 8.717 8.921 -0.204 1
1 633 . 1 1 1 A 77 77 ASN HA H 77 4.759 4.940 -0.181 1
1 638 . 1 1 1 A 77 77 ASN N N 77 122.469 126.052 -3.583 1
1 640 . 1 1 1 A 78 78 ASN H H 78 8.564 8.786 -0.222 1
1 641 . 1 1 1 A 78 78 ASN HA H 78 4.772 5.340 -0.568 1
1 646 . 1 1 1 A 78 78 ASN N N 78 121.986 125.344 -3.358 1
1 648 . 1 1 1 A 79 79 LEU H H 79 8.160 8.545 -0.385 1
1 649 . 1 1 1 A 79 79 LEU HA H 79 4.282 4.465 -0.183 1
1 659 . 1 1 1 A 79 79 LEU N N 79 122.221 120.148 2.073 1
1 660 . 1 1 1 A 80 80 LEU H H 80 8.034 7.657 0.377 1
1 661 . 1 1 1 A 80 80 LEU HA H 80 4.391 4.341 0.050 1
1 671 . 1 1 1 A 80 80 LEU N N 80 121.024 117.487 3.537 1
1 672 . 1 1 1 A 81 81 GLU H H 81 8.105 7.906 0.199 1
1 673 . 1 1 1 A 81 81 GLU HA H 81 4.298 3.962 0.336 1
1 678 . 1 1 1 A 81 81 GLU N N 81 122.466 123.314 -0.848 1
1 679 . 1 1 1 A 82 82 GLY H H 82 8.274 8.849 -0.575 1
1 680 . 1 1 1 A 82 82 GLY HA2 H 82 3.852 3.524 0.328 1
1 681 . 1 1 1 A 82 82 GLY HA3 H 82 3.988 3.667 0.321 1
1 682 . 1 1 1 A 82 82 GLY N N 82 112.347 114.465 -2.118 1
1 683 . 1 1 1 A 83 83 TYR H H 83 7.850 7.707 0.143 1
1 684 . 1 1 1 A 83 83 TYR HA H 83 5.113 5.224 -0.111 1
1 691 . 1 1 1 A 83 83 TYR N N 83 118.873 119.132 -0.259 1
1 692 . 1 1 1 A 84 84 HIS H H 84 9.473 8.944 0.529 1
1 693 . 1 1 1 A 84 84 HIS HA H 84 5.117 4.913 0.204 1
1 698 . 1 1 1 A 84 84 HIS N N 84 120.297 117.876 2.421 1
1 699 . 1 1 1 A 85 85 PRO HA H 85 4.678 4.125 0.553 1
1 706 . 1 1 1 A 86 86 LYS H H 86 9.027 8.868 0.159 1
1 707 . 1 1 1 A 86 86 LYS HA H 86 4.709 5.662 -0.953 1
1 716 . 1 1 1 A 86 86 LYS N N 86 119.573 117.107 2.466 1
1 717 . 1 1 1 A 87 87 LEU H H 87 7.785 7.971 -0.186 1
1 718 . 1 1 1 A 87 87 LEU HA H 87 4.414 4.228 0.186 1
1 727 . 1 1 1 A 87 87 LEU N N 87 123.673 123.084 0.589 1
1 728 . 1 1 1 A 88 88 VAL H H 88 8.443 8.707 -0.264 1
1 729 . 1 1 1 A 88 88 VAL HA H 88 4.616 4.948 -0.332 1
1 737 . 1 1 1 A 88 88 VAL N N 88 115.720 118.034 -2.314 1
1 738 . 1 1 1 A 89 89 VAL H H 89 8.621 9.100 -0.479 1
1 739 . 1 1 1 A 89 89 VAL HA H 89 4.471 4.696 -0.225 1
1 747 . 1 1 1 A 89 89 VAL N N 89 122.477 125.346 -2.869 1
1 748 . 1 1 1 A 90 90 ASN H H 90 8.721 9.152 -0.431 1
1 749 . 1 1 1 A 90 90 ASN HA H 90 5.020 5.085 -0.065 1
1 754 . 1 1 1 A 90 90 ASN N N 90 127.524 127.541 -0.017 1
1 756 . 1 1 1 A 91 91 GLY H H 91 9.006 8.897 0.109 1
1 757 . 1 1 1 A 91 91 GLY HA2 H 91 3.639 3.872 -0.233 1
1 758 . 1 1 1 A 91 91 GLY HA3 H 91 3.993 3.873 0.120 1
1 759 . 1 1 1 A 91 91 GLY N N 91 115.517 115.864 -0.347 1
1 760 . 1 1 1 A 92 92 ARG H H 92 8.675 8.637 0.038 1
1 761 . 1 1 1 A 92 92 ARG HA H 92 4.530 4.374 0.156 1
1 768 . 1 1 1 A 92 92 ARG N N 92 125.836 126.646 -0.810 1
1 769 . 1 1 1 A 93 93 SER H H 93 7.875 7.600 0.275 1
1 770 . 1 1 1 A 93 93 SER HA H 93 4.707 5.065 -0.358 1
1 773 . 1 1 1 A 93 93 SER N N 93 114.996 112.810 2.186 1
1 774 . 1 1 1 A 94 94 ILE H H 94 7.943 9.141 -1.198 1
1 775 . 1 1 1 A 94 94 ILE HA H 94 4.694 4.957 -0.263 1
1 785 . 1 1 1 A 94 94 ILE N N 94 123.668 123.661 0.007 1
1 786 . 1 1 1 A 95 95 ASP H H 95 8.975 9.256 -0.281 1
1 787 . 1 1 1 A 95 95 ASP HA H 95 4.995 5.025 -0.030 1
1 790 . 1 1 1 A 95 95 ASP N N 95 128.002 127.604 0.398 1
1 791 . 1 1 1 A 96 96 ILE H H 96 8.672 8.759 -0.087 1
1 792 . 1 1 1 A 96 96 ILE HA H 96 4.669 4.719 -0.050 1
1 802 . 1 1 1 A 96 96 ILE N N 96 118.150 119.801 -1.651 1
1 803 . 1 1 1 A 97 97 GLU H H 97 8.990 9.131 -0.141 1
1 804 . 1 1 1 A 97 97 GLU HA H 97 4.604 4.978 -0.374 1
1 809 . 1 1 1 A 97 97 GLU N N 97 128.072 127.609 0.463 1
1 810 . 1 1 1 A 98 98 TYR H H 98 8.544 9.243 -0.699 1
1 811 . 1 1 1 A 98 98 TYR HA H 98 5.662 6.133 -0.471 1
1 818 . 1 1 1 A 98 98 TYR N N 98 118.130 119.354 -1.224 1
1 819 . 1 1 1 A 99 99 TYR H H 99 9.389 8.979 0.410 1
1 820 . 1 1 1 A 99 99 TYR HA H 99 5.258 5.693 -0.435 1
1 827 . 1 1 1 A 99 99 TYR N N 99 121.021 121.720 -0.699 1
1 828 . 1 1 1 A 100 100 GLU H H 100 8.942 8.651 0.291 1
1 829 . 1 1 1 A 100 100 GLU HA H 100 3.495 4.123 -0.628 1
1 834 . 1 1 1 A 100 100 GLU N N 100 122.954 120.527 2.427 1
1 835 . 1 1 1 A 101 101 CYS H H 101 7.742 8.732 -0.990 1
1 836 . 1 1 1 A 101 101 CYS HA H 101 3.342 4.223 -0.881 1
1 839 . 1 1 1 A 101 101 CYS N N 101 125.649 122.578 3.071 1
1 840 . 1 1 1 A 102 102 PRO HA H 102 4.415 4.427 -0.012 1
1 847 . 1 1 1 A 103 103 VAL H H 103 8.493 7.406 1.087 1
1 848 . 1 1 1 A 103 103 VAL HA H 103 3.990 3.953 0.037 1
1 856 . 1 1 1 A 103 103 VAL N N 103 121.026 116.359 4.667 1
1 857 . 1 1 1 A 104 104 LYS H H 104 7.585 8.074 -0.489 1
1 858 . 1 1 1 A 104 104 LYS HA H 104 3.972 4.248 -0.276 1
1 867 . 1 1 1 A 104 104 LYS N N 104 122.941 121.349 1.592 1
1 868 . 1 1 1 A 105 105 ARG H H 105 7.848 7.821 0.027 1
1 869 . 1 1 1 A 105 105 ARG HA H 105 4.276 4.700 -0.424 1
1 876 . 1 1 1 A 105 105 ARG N N 105 121.986 118.950 3.036 1
1 6 . 2 1 1 A 2 2 GLU HA H 2 4.671 4.771 -0.100 1
1 11 . 2 1 1 A 3 3 PRO HA H 3 4.473 4.502 -0.029 1
1 18 . 2 1 1 A 4 4 ILE H H 4 8.270 8.669 -0.399 1
1 19 . 2 1 1 A 4 4 ILE HA H 4 4.156 4.312 -0.156 1
1 29 . 2 1 1 A 4 4 ILE N N 4 121.501 122.018 -0.517 1
1 30 . 2 1 1 A 5 5 GLY H H 5 8.516 8.703 -0.187 1
1 31 . 2 1 1 A 5 5 GLY HA2 H 5 3.952 3.853 0.099 1
1 32 . 2 1 1 A 5 5 GLY HA3 H 5 3.992 3.853 0.139 1
1 33 . 2 1 1 A 5 5 GLY N N 5 112.831 115.097 -2.266 1
1 34 . 2 1 1 A 6 6 ARG H H 6 8.197 7.504 0.693 1
1 35 . 2 1 1 A 6 6 ARG HA H 6 4.383 4.652 -0.269 1
1 42 . 2 1 1 A 6 6 ARG N N 6 121.014 117.260 3.754 1
1 43 . 2 1 1 A 7 7 SER H H 7 8.400 8.944 -0.544 1
1 44 . 2 1 1 A 7 7 SER HA H 7 4.472 4.369 0.103 1
1 47 . 2 1 1 A 7 7 SER N N 7 116.921 118.717 -1.796 1
1 48 . 2 1 1 A 8 8 LEU H H 8 8.376 7.544 0.832 1
1 49 . 2 1 1 A 8 8 LEU HA H 8 4.390 4.244 0.146 1
1 59 . 2 1 1 A 8 8 LEU N N 8 124.394 119.648 4.746 1
1 60 . 2 1 1 A 9 9 GLN H H 9 8.292 7.616 0.676 1
1 61 . 2 1 1 A 9 9 GLN HA H 9 4.323 4.710 -0.387 1
1 68 . 2 1 1 A 9 9 GLN N N 9 120.593 116.966 3.627 1
1 70 . 2 1 1 A 10 10 GLY H H 10 8.417 8.289 0.128 1
1 71 . 2 1 1 A 10 10 GLY HA2 H 10 3.992 3.986 0.006 1
1 72 . 2 1 1 A 10 10 GLY HA3 H 10 3.992 3.986 0.006 1
1 73 . 2 1 1 A 10 10 GLY N N 10 110.179 108.593 1.586 1
1 74 . 2 1 1 A 11 11 VAL H H 11 8.040 7.615 0.425 1
1 75 . 2 1 1 A 11 11 VAL HA H 11 4.208 4.439 -0.231 1
1 83 . 2 1 1 A 11 11 VAL N N 11 119.334 118.797 0.537 1
1 84 . 2 1 1 A 12 12 THR H H 12 8.210 8.814 -0.604 1
1 85 . 2 1 1 A 12 12 THR HA H 12 4.285 4.969 -0.684 1
1 90 . 2 1 1 A 12 12 THR N N 12 117.160 118.488 -1.328 1
1 91 . 2 1 1 A 13 13 GLY H H 13 8.388 8.294 0.094 1
1 92 . 2 1 1 A 13 13 GLY HA2 H 13 3.988 4.110 -0.122 1
1 93 . 2 1 1 A 13 13 GLY HA3 H 13 4.027 4.111 -0.084 1
1 94 . 2 1 1 A 13 13 GLY N N 13 111.151 111.340 -0.189 1
1 95 . 2 1 1 A 14 14 ARG H H 14 8.169 9.098 -0.929 1
1 96 . 2 1 1 A 14 14 ARG HA H 14 4.668 4.979 -0.311 1
1 103 . 2 1 1 A 14 14 ARG N N 14 121.499 122.978 -1.479 1
1 104 . 2 1 1 A 15 15 PRO HA H 15 4.426 4.550 -0.124 1
1 111 . 2 1 1 A 16 16 ASP H H 16 8.475 8.715 -0.240 1
1 112 . 2 1 1 A 16 16 ASP HA H 16 4.556 4.484 0.072 1
1 115 . 2 1 1 A 16 16 ASP N N 16 119.586 122.674 -3.088 1
1 116 . 2 1 1 A 17 17 PHE H H 17 8.179 8.083 0.096 1
1 117 . 2 1 1 A 17 17 PHE HA H 17 4.366 4.084 0.282 1
1 125 . 2 1 1 A 17 17 PHE N N 17 121.747 121.438 0.309 1
1 126 . 2 1 1 A 18 18 GLN H H 18 8.200 8.426 -0.226 1
1 127 . 2 1 1 A 18 18 GLN HA H 18 3.998 3.868 0.130 1
1 134 . 2 1 1 A 18 18 GLN N N 18 119.816 117.790 2.026 1
1 136 . 2 1 1 A 19 19 LYS H H 19 7.986 7.451 0.535 1
1 137 . 2 1 1 A 19 19 LYS HA H 19 4.126 4.051 0.075 1
1 146 . 2 1 1 A 19 19 LYS N N 19 120.081 119.555 0.526 1
1 147 . 2 1 1 A 20 20 ARG H H 20 7.918 7.697 0.221 1
1 148 . 2 1 1 A 20 20 ARG HA H 20 4.125 4.051 0.074 1
1 155 . 2 1 1 A 20 20 ARG N N 20 118.851 120.090 -1.239 1
1 156 . 2 1 1 A 21 21 LEU H H 21 7.954 8.268 -0.314 1
1 157 . 2 1 1 A 21 21 LEU HA H 21 4.127 3.806 0.321 1
1 167 . 2 1 1 A 21 21 LEU N N 21 121.258 120.444 0.814 1
1 168 . 2 1 1 A 22 22 GLU H H 22 8.169 8.475 -0.306 1
1 169 . 2 1 1 A 22 22 GLU HA H 22 3.981 3.924 0.057 1
1 174 . 2 1 1 A 22 22 GLU N N 22 119.093 118.273 0.820 1
1 175 . 2 1 1 A 23 23 GLN H H 23 8.015 7.981 0.034 1
1 176 . 2 1 1 A 23 23 GLN HA H 23 4.174 4.071 0.103 1
1 183 . 2 1 1 A 23 23 GLN N N 23 119.335 120.013 -0.678 1
1 185 . 2 1 1 A 24 24 MET H H 24 8.209 8.815 -0.606 1
1 186 . 2 1 1 A 24 24 MET HA H 24 4.005 4.202 -0.197 1
1 194 . 2 1 1 A 24 24 MET N N 24 119.750 118.139 1.611 1
1 195 . 2 1 1 A 25 25 LYS H H 25 8.387 8.195 0.192 1
1 196 . 2 1 1 A 25 25 LYS HA H 25 3.797 3.915 -0.118 1
1 205 . 2 1 1 A 25 25 LYS N N 25 119.097 120.602 -1.505 1
1 206 . 2 1 1 A 26 26 GLU H H 26 7.936 8.023 -0.087 1
1 207 . 2 1 1 A 26 26 GLU HA H 26 3.989 4.048 -0.059 1
1 212 . 2 1 1 A 26 26 GLU N N 26 117.895 118.453 -0.558 1
1 213 . 2 1 1 A 27 27 LYS H H 27 7.608 7.662 -0.054 1
1 214 . 2 1 1 A 27 27 LYS HA H 27 4.027 4.091 -0.064 1
1 223 . 2 1 1 A 27 27 LYS N N 27 117.438 118.582 -1.144 1
1 224 . 2 1 1 A 28 28 VAL H H 28 8.285 8.380 -0.095 1
1 225 . 2 1 1 A 28 28 VAL HA H 28 3.813 3.677 0.136 1
1 233 . 2 1 1 A 28 28 VAL N N 28 118.134 119.450 -1.316 1
1 234 . 2 1 1 A 29 29 MET H H 29 8.030 7.943 0.087 1
1 235 . 2 1 1 A 29 29 MET HA H 29 4.422 4.693 -0.271 1
1 243 . 2 1 1 A 29 29 MET N N 29 112.840 117.508 -4.668 1
1 244 . 2 1 1 A 30 30 LYS H H 30 7.320 7.679 -0.359 1
1 245 . 2 1 1 A 30 30 LYS HA H 30 4.304 4.392 -0.088 1
1 254 . 2 1 1 A 30 30 LYS N N 30 116.038 117.637 -1.599 1
1 255 . 2 1 1 A 31 31 ASP H H 31 7.495 7.459 0.036 1
1 256 . 2 1 1 A 31 31 ASP HA H 31 4.594 4.666 -0.072 1
1 259 . 2 1 1 A 31 31 ASP N N 31 122.944 120.630 2.314 1
1 260 . 2 1 1 A 32 32 GLN H H 32 9.076 8.635 0.441 1
1 261 . 2 1 1 A 32 32 GLN HA H 32 4.029 3.944 0.085 1
1 268 . 2 1 1 A 32 32 GLN N N 32 126.326 125.390 0.936 1
1 270 . 2 1 1 A 33 33 ASP H H 33 8.456 8.066 0.390 1
1 271 . 2 1 1 A 33 33 ASP HA H 33 4.671 4.538 0.133 1
1 274 . 2 1 1 A 33 33 ASP N N 33 122.586 120.120 2.466 1
1 275 . 2 1 1 A 34 34 VAL H H 34 9.317 8.354 0.963 1
1 276 . 2 1 1 A 34 34 VAL HA H 34 3.521 3.547 -0.026 1
1 284 . 2 1 1 A 34 34 VAL N N 34 124.689 120.586 4.103 1
1 285 . 2 1 1 A 35 35 GLN H H 35 8.633 8.177 0.456 1
1 286 . 2 1 1 A 35 35 GLN HA H 35 3.901 4.105 -0.204 1
1 293 . 2 1 1 A 35 35 GLN N N 35 117.209 117.622 -0.413 1
1 295 . 2 1 1 A 36 36 ALA H H 36 7.935 8.025 -0.090 1
1 296 . 2 1 1 A 36 36 ALA HA H 36 4.211 4.155 0.056 1
1 300 . 2 1 1 A 36 36 ALA N N 36 121.503 122.637 -1.134 1
1 301 . 2 1 1 A 37 37 PHE H H 37 7.862 8.190 -0.328 1
1 302 . 2 1 1 A 37 37 PHE HA H 37 4.357 4.306 0.051 1
1 310 . 2 1 1 A 37 37 PHE N N 37 121.040 120.126 0.914 1
1 311 . 2 1 1 A 38 38 LEU H H 38 8.848 8.919 -0.071 1
1 312 . 2 1 1 A 38 38 LEU HA H 38 3.581 3.704 -0.123 1
1 322 . 2 1 1 A 38 38 LEU N N 38 120.561 119.283 1.278 1
1 323 . 2 1 1 A 39 39 LYS H H 39 7.885 8.142 -0.257 1
1 324 . 2 1 1 A 39 39 LYS HA H 39 4.142 4.015 0.127 1
1 333 . 2 1 1 A 39 39 LYS N N 39 118.613 118.949 -0.336 1
1 334 . 2 1 1 A 40 40 GLU H H 40 8.134 7.621 0.513 1
1 335 . 2 1 1 A 40 40 GLU HA H 40 4.054 3.991 0.063 1
1 340 . 2 1 1 A 40 40 GLU N N 40 119.387 119.869 -0.482 1
1 341 . 2 1 1 A 41 41 ASN H H 41 7.089 7.415 -0.326 1
1 342 . 2 1 1 A 41 41 ASN HA H 41 4.933 4.972 -0.039 1
1 347 . 2 1 1 A 41 41 ASN N N 41 114.032 115.443 -1.411 1
1 349 . 2 1 1 A 42 42 GLU H H 42 7.086 8.234 -1.148 1
1 350 . 2 1 1 A 42 42 GLU HA H 42 3.957 4.021 -0.064 1
1 355 . 2 1 1 A 42 42 GLU N N 42 121.023 119.190 1.833 1
1 356 . 2 1 1 A 43 43 GLU H H 43 8.648 7.793 0.855 1
1 357 . 2 1 1 A 43 43 GLU HA H 43 4.207 4.101 0.106 1
1 362 . 2 1 1 A 43 43 GLU N N 43 115.965 120.372 -4.407 1
1 363 . 2 1 1 A 44 44 VAL H H 44 7.526 7.530 -0.004 1
1 364 . 2 1 1 A 44 44 VAL HA H 44 4.445 4.126 0.319 1
1 372 . 2 1 1 A 44 44 VAL N N 44 110.987 117.500 -6.513 1
1 373 . 2 1 1 A 45 45 ILE H H 45 7.246 7.857 -0.611 1
1 374 . 2 1 1 A 45 45 ILE HA H 45 4.531 3.956 0.575 1
1 384 . 2 1 1 A 45 45 ILE N N 45 119.815 120.345 -0.530 1
1 385 . 2 1 1 A 46 46 ASP H H 46 7.351 8.402 -1.051 1
1 386 . 2 1 1 A 46 46 ASP HA H 46 4.958 4.984 -0.026 1
1 389 . 2 1 1 A 46 46 ASP N N 46 124.659 127.181 -2.522 1
1 390 . 2 1 1 A 47 47 GLN H H 47 8.504 8.846 -0.342 1
1 391 . 2 1 1 A 47 47 GLN HA H 47 3.949 3.894 0.055 1
1 398 . 2 1 1 A 47 47 GLN N N 47 117.654 123.606 -5.952 1
1 400 . 2 1 1 A 48 48 LYS H H 48 8.030 7.956 0.074 1
1 401 . 2 1 1 A 48 48 LYS HA H 48 4.132 4.048 0.084 1
1 410 . 2 1 1 A 48 48 LYS N N 48 119.335 119.667 -0.332 1
1 411 . 2 1 1 A 49 49 MET H H 49 8.250 8.176 0.074 1
1 412 . 2 1 1 A 49 49 MET HA H 49 4.132 4.208 -0.076 1
1 420 . 2 1 1 A 49 49 MET N N 49 120.061 118.833 1.228 1
1 421 . 2 1 1 A 50 50 ILE H H 50 7.726 8.080 -0.354 1
1 422 . 2 1 1 A 50 50 ILE HA H 50 3.379 3.621 -0.242 1
1 432 . 2 1 1 A 50 50 ILE N N 50 120.912 120.207 0.705 1
1 433 . 2 1 1 A 51 51 GLU H H 51 8.044 7.909 0.135 1
1 434 . 2 1 1 A 51 51 GLU HA H 51 3.906 3.977 -0.071 1
1 439 . 2 1 1 A 51 51 GLU N N 51 117.413 118.725 -1.312 1
1 440 . 2 1 1 A 52 52 LYS H H 52 8.249 8.213 0.036 1
1 441 . 2 1 1 A 52 52 LYS HA H 52 4.318 4.073 0.245 1
1 450 . 2 1 1 A 52 52 LYS N N 52 117.183 121.720 -4.537 1
1 451 . 2 1 1 A 53 53 SER H H 53 7.664 7.602 0.062 1
1 452 . 2 1 1 A 53 53 SER HA H 53 5.067 4.909 0.158 1
1 455 . 2 1 1 A 53 53 SER N N 53 113.070 113.490 -0.420 1
1 456 . 2 1 1 A 54 54 LEU H H 54 7.375 7.608 -0.233 1
1 457 . 2 1 1 A 54 54 LEU HA H 54 3.980 3.984 -0.004 1
1 467 . 2 1 1 A 54 54 LEU N N 54 123.828 123.554 0.274 1
1 468 . 2 1 1 A 55 55 ASN H H 55 8.705 8.354 0.351 1
1 469 . 2 1 1 A 55 55 ASN HA H 55 4.434 4.594 -0.160 1
1 474 . 2 1 1 A 55 55 ASN N N 55 114.672 117.287 -2.615 1
1 476 . 2 1 1 A 56 56 LYS H H 56 7.685 7.664 0.021 1
1 477 . 2 1 1 A 56 56 LYS HA H 56 4.289 4.108 0.181 1
1 486 . 2 1 1 A 56 56 LYS N N 56 121.417 121.898 -0.481 1
1 487 . 2 1 1 A 57 57 LEU H H 57 8.120 8.174 -0.054 1
1 488 . 2 1 1 A 57 57 LEU HA H 57 3.948 4.041 -0.093 1
1 498 . 2 1 1 A 57 57 LEU N N 57 118.616 119.451 -0.835 1
1 499 . 2 1 1 A 58 58 TYR H H 58 8.659 9.082 -0.423 1
1 500 . 2 1 1 A 58 58 TYR HA H 58 4.124 4.070 0.054 1
1 507 . 2 1 1 A 58 58 TYR N N 58 119.812 119.900 -0.088 1
1 508 . 2 1 1 A 59 59 GLU H H 59 7.999 8.437 -0.438 1
1 509 . 2 1 1 A 59 59 GLU HA H 59 3.945 3.961 -0.016 1
1 514 . 2 1 1 A 59 59 GLU N N 59 118.851 119.345 -0.494 1
1 515 . 2 1 1 A 60 60 TYR H H 60 8.132 8.348 -0.216 1
1 516 . 2 1 1 A 60 60 TYR HA H 60 4.056 4.084 -0.028 1
1 523 . 2 1 1 A 60 60 TYR N N 60 118.616 120.789 -2.173 1
1 524 . 2 1 1 A 61 61 ILE H H 61 7.985 7.841 0.144 1
1 525 . 2 1 1 A 61 61 ILE HA H 61 3.638 3.531 0.107 1
1 535 . 2 1 1 A 61 61 ILE N N 61 115.242 117.533 -2.291 1
1 536 . 2 1 1 A 62 62 GLU H H 62 7.409 7.530 -0.121 1
1 537 . 2 1 1 A 62 62 GLU HA H 62 4.056 3.989 0.067 1
1 542 . 2 1 1 A 62 62 GLU N N 62 118.370 119.957 -1.587 1
1 543 . 2 1 1 A 63 63 GLN H H 63 7.320 7.410 -0.090 1
1 544 . 2 1 1 A 63 63 GLN HA H 63 4.583 4.325 0.258 1
1 551 . 2 1 1 A 63 63 GLN N N 63 118.398 118.965 -0.567 1
1 553 . 2 1 1 A 64 64 SER H H 64 8.134 8.579 -0.445 1
1 554 . 2 1 1 A 64 64 SER HA H 64 4.122 4.496 -0.374 1
1 557 . 2 1 1 A 64 64 SER N N 64 115.490 114.805 0.685 1
1 558 . 2 1 1 A 65 65 LYS H H 65 8.663 7.883 0.780 1
1 559 . 2 1 1 A 65 65 LYS HA H 65 4.132 3.729 0.403 1
1 562 . 2 1 1 A 65 65 LYS N N 65 122.473 125.487 -3.014 1
1 563 . 2 1 1 A 66 66 ASN H H 66 8.010 7.538 0.472 1
1 564 . 2 1 1 A 66 66 ASN HA H 66 3.809 4.322 -0.513 1
1 569 . 2 1 1 A 66 66 ASN N N 66 117.420 116.498 0.922 1
1 571 . 2 1 1 A 67 67 CYS H H 67 7.649 8.465 -0.816 1
1 572 . 2 1 1 A 67 67 CYS HA H 67 5.108 4.835 0.273 1
1 575 . 2 1 1 A 67 67 CYS N N 67 116.684 117.920 -1.236 1
1 576 . 2 1 1 A 68 68 SER H H 68 8.891 8.797 0.094 1
1 577 . 2 1 1 A 68 68 SER HA H 68 4.379 4.947 -0.568 1
1 580 . 2 1 1 A 68 68 SER N N 68 115.241 118.786 -3.545 1
1 581 . 2 1 1 A 69 69 TYR H H 69 9.864 7.696 2.168 1
1 582 . 2 1 1 A 69 69 TYR HA H 69 4.569 4.238 0.331 1
1 589 . 2 1 1 A 69 69 TYR N N 69 124.277 122.441 1.836 1
1 590 . 2 1 1 A 70 70 CYS H H 70 7.841 7.971 -0.130 1
1 591 . 2 1 1 A 70 70 CYS HA H 70 4.920 4.758 0.162 1
1 594 . 2 1 1 A 70 70 CYS N N 70 115.300 114.219 1.081 1
1 595 . 2 1 1 A 71 71 SER H H 71 8.032 8.041 -0.009 1
1 596 . 2 1 1 A 71 71 SER HA H 71 4.673 4.598 0.075 1
1 599 . 2 1 1 A 71 71 SER N N 71 119.327 113.711 5.616 1
1 600 . 2 1 1 A 72 72 GLU H H 72 8.701 8.870 -0.169 1
1 601 . 2 1 1 A 72 72 GLU HA H 72 4.459 4.475 -0.016 1
1 606 . 2 1 1 A 72 72 GLU N N 72 122.947 123.552 -0.605 1
1 607 . 2 1 1 A 73 73 ASP H H 73 8.053 7.577 0.476 1
1 608 . 2 1 1 A 73 73 ASP HA H 73 4.529 4.450 0.079 1
1 611 . 2 1 1 A 73 73 ASP N N 73 120.929 119.685 1.244 1
1 612 . 2 1 1 A 74 74 GLU H H 74 8.754 8.582 0.172 1
1 613 . 2 1 1 A 74 74 GLU HA H 74 4.251 4.401 -0.150 1
1 618 . 2 1 1 A 74 74 GLU N N 74 122.241 119.863 2.378 1
1 619 . 2 1 1 A 75 75 ASN H H 75 8.564 7.935 0.629 1
1 620 . 2 1 1 A 75 75 ASN HA H 75 4.803 4.546 0.257 1
1 625 . 2 1 1 A 75 75 ASN N N 75 117.681 117.316 0.365 1
1 627 . 2 1 1 A 76 76 CYS H H 76 7.923 7.779 0.144 1
1 628 . 2 1 1 A 76 76 CYS HA H 76 4.377 4.709 -0.332 1
1 631 . 2 1 1 A 76 76 CYS N N 76 120.055 115.783 4.272 1
1 632 . 2 1 1 A 77 77 ASN H H 77 8.717 8.749 -0.032 1
1 633 . 2 1 1 A 77 77 ASN HA H 77 4.759 4.937 -0.178 1
1 638 . 2 1 1 A 77 77 ASN N N 77 122.469 123.069 -0.600 1
1 640 . 2 1 1 A 78 78 ASN H H 78 8.564 8.620 -0.056 1
1 641 . 2 1 1 A 78 78 ASN HA H 78 4.772 4.803 -0.031 1
1 646 . 2 1 1 A 78 78 ASN N N 78 121.986 123.877 -1.891 1
1 648 . 2 1 1 A 79 79 LEU H H 79 8.160 8.349 -0.189 1
1 649 . 2 1 1 A 79 79 LEU HA H 79 4.282 4.002 0.280 1
1 659 . 2 1 1 A 79 79 LEU N N 79 122.221 126.776 -4.555 1
1 660 . 2 1 1 A 80 80 LEU H H 80 8.034 7.875 0.159 1
1 661 . 2 1 1 A 80 80 LEU HA H 80 4.391 4.342 0.049 1
1 671 . 2 1 1 A 80 80 LEU N N 80 121.024 119.616 1.408 1
1 672 . 2 1 1 A 81 81 GLU H H 81 8.105 8.598 -0.493 1
1 673 . 2 1 1 A 81 81 GLU HA H 81 4.298 4.895 -0.597 1
1 678 . 2 1 1 A 81 81 GLU N N 81 122.466 125.077 -2.611 1
1 679 . 2 1 1 A 82 82 GLY H H 82 8.274 8.848 -0.574 1
1 680 . 2 1 1 A 82 82 GLY HA2 H 82 3.852 3.453 0.399 1
1 681 . 2 1 1 A 82 82 GLY HA3 H 82 3.988 3.608 0.380 1
1 682 . 2 1 1 A 82 82 GLY N N 82 112.347 114.227 -1.880 1
1 683 . 2 1 1 A 83 83 TYR H H 83 7.850 7.726 0.124 1
1 684 . 2 1 1 A 83 83 TYR HA H 83 5.113 5.295 -0.182 1
1 691 . 2 1 1 A 83 83 TYR N N 83 118.873 119.153 -0.280 1
1 692 . 2 1 1 A 84 84 HIS H H 84 9.473 8.925 0.548 1
1 693 . 2 1 1 A 84 84 HIS HA H 84 5.117 4.905 0.212 1
1 698 . 2 1 1 A 84 84 HIS N N 84 120.297 118.452 1.845 1
1 699 . 2 1 1 A 85 85 PRO HA H 85 4.678 4.202 0.476 1
1 706 . 2 1 1 A 86 86 LYS H H 86 9.027 8.585 0.442 1
1 707 . 2 1 1 A 86 86 LYS HA H 86 4.709 5.041 -0.332 1
1 716 . 2 1 1 A 86 86 LYS N N 86 119.573 117.076 2.497 1
1 717 . 2 1 1 A 87 87 LEU H H 87 7.785 8.213 -0.428 1
1 718 . 2 1 1 A 87 87 LEU HA H 87 4.414 4.287 0.127 1
1 727 . 2 1 1 A 87 87 LEU N N 87 123.673 124.681 -1.008 1
1 728 . 2 1 1 A 88 88 VAL H H 88 8.443 8.920 -0.477 1
1 729 . 2 1 1 A 88 88 VAL HA H 88 4.616 4.967 -0.351 1
1 737 . 2 1 1 A 88 88 VAL N N 88 115.720 118.381 -2.661 1
1 738 . 2 1 1 A 89 89 VAL H H 89 8.621 8.939 -0.318 1
1 739 . 2 1 1 A 89 89 VAL HA H 89 4.471 4.524 -0.053 1
1 747 . 2 1 1 A 89 89 VAL N N 89 122.477 126.305 -3.828 1
1 748 . 2 1 1 A 90 90 ASN H H 90 8.721 9.178 -0.457 1
1 749 . 2 1 1 A 90 90 ASN HA H 90 5.020 5.047 -0.027 1
1 754 . 2 1 1 A 90 90 ASN N N 90 127.524 126.329 1.195 1
1 756 . 2 1 1 A 91 91 GLY H H 91 9.006 8.916 0.090 1
1 757 . 2 1 1 A 91 91 GLY HA2 H 91 3.639 3.876 -0.237 1
1 758 . 2 1 1 A 91 91 GLY HA3 H 91 3.993 3.878 0.115 1
1 759 . 2 1 1 A 91 91 GLY N N 91 115.517 115.727 -0.210 1
1 760 . 2 1 1 A 92 92 ARG H H 92 8.675 8.602 0.073 1
1 761 . 2 1 1 A 92 92 ARG HA H 92 4.530 4.400 0.130 1
1 768 . 2 1 1 A 92 92 ARG N N 92 125.836 126.725 -0.889 1
1 769 . 2 1 1 A 93 93 SER H H 93 7.875 7.680 0.195 1
1 770 . 2 1 1 A 93 93 SER HA H 93 4.707 5.037 -0.330 1
1 773 . 2 1 1 A 93 93 SER N N 93 114.996 115.497 -0.501 1
1 774 . 2 1 1 A 94 94 ILE H H 94 7.943 8.827 -0.884 1
1 775 . 2 1 1 A 94 94 ILE HA H 94 4.694 5.028 -0.334 1
1 785 . 2 1 1 A 94 94 ILE N N 94 123.668 121.831 1.837 1
1 786 . 2 1 1 A 95 95 ASP H H 95 8.975 9.512 -0.537 1
1 787 . 2 1 1 A 95 95 ASP HA H 95 4.995 5.417 -0.422 1
1 790 . 2 1 1 A 95 95 ASP N N 95 128.002 128.014 -0.012 1
1 791 . 2 1 1 A 96 96 ILE H H 96 8.672 8.734 -0.062 1
1 792 . 2 1 1 A 96 96 ILE HA H 96 4.669 4.811 -0.142 1
1 802 . 2 1 1 A 96 96 ILE N N 96 118.150 121.078 -2.928 1
1 803 . 2 1 1 A 97 97 GLU H H 97 8.990 8.902 0.088 1
1 804 . 2 1 1 A 97 97 GLU HA H 97 4.604 4.910 -0.306 1
1 809 . 2 1 1 A 97 97 GLU N N 97 128.072 126.976 1.096 1
1 810 . 2 1 1 A 98 98 TYR H H 98 8.544 8.709 -0.165 1
1 811 . 2 1 1 A 98 98 TYR HA H 98 5.662 5.368 0.294 1
1 818 . 2 1 1 A 98 98 TYR N N 98 118.130 117.794 0.336 1
1 819 . 2 1 1 A 99 99 TYR H H 99 9.389 8.802 0.587 1
1 820 . 2 1 1 A 99 99 TYR HA H 99 5.258 5.855 -0.597 1
1 827 . 2 1 1 A 99 99 TYR N N 99 121.021 121.720 -0.699 1
1 828 . 2 1 1 A 100 100 GLU H H 100 8.942 8.581 0.361 1
1 829 . 2 1 1 A 100 100 GLU HA H 100 3.495 3.949 -0.454 1
1 834 . 2 1 1 A 100 100 GLU N N 100 122.954 120.414 2.540 1
1 835 . 2 1 1 A 101 101 CYS H H 101 7.742 8.850 -1.108 1
1 836 . 2 1 1 A 101 101 CYS HA H 101 3.342 4.223 -0.881 1
1 839 . 2 1 1 A 101 101 CYS N N 101 125.649 122.924 2.725 1
1 840 . 2 1 1 A 102 102 PRO HA H 102 4.415 4.443 -0.028 1
1 847 . 2 1 1 A 103 103 VAL H H 103 8.493 7.348 1.145 1
1 848 . 2 1 1 A 103 103 VAL HA H 103 3.990 3.887 0.103 1
1 856 . 2 1 1 A 103 103 VAL N N 103 121.026 116.638 4.388 1
1 857 . 2 1 1 A 104 104 LYS H H 104 7.585 7.986 -0.401 1
1 858 . 2 1 1 A 104 104 LYS HA H 104 3.972 4.287 -0.315 1
1 867 . 2 1 1 A 104 104 LYS N N 104 122.941 120.292 2.649 1
1 868 . 2 1 1 A 105 105 ARG H H 105 7.848 7.969 -0.121 1
1 869 . 2 1 1 A 105 105 ARG HA H 105 4.276 4.543 -0.267 1
1 876 . 2 1 1 A 105 105 ARG N N 105 121.986 117.030 4.956 1
1 6 . 3 1 1 A 2 2 GLU HA H 2 4.671 4.815 -0.144 1
1 11 . 3 1 1 A 3 3 PRO HA H 3 4.473 4.599 -0.126 1
1 18 . 3 1 1 A 4 4 ILE H H 4 8.270 8.342 -0.072 1
1 19 . 3 1 1 A 4 4 ILE HA H 4 4.156 4.268 -0.112 1
1 29 . 3 1 1 A 4 4 ILE N N 4 121.501 122.452 -0.951 1
1 30 . 3 1 1 A 5 5 GLY H H 5 8.516 8.579 -0.063 1
1 31 . 3 1 1 A 5 5 GLY HA2 H 5 3.952 4.072 -0.120 1
1 32 . 3 1 1 A 5 5 GLY HA3 H 5 3.992 4.072 -0.080 1
1 33 . 3 1 1 A 5 5 GLY N N 5 112.831 115.794 -2.963 1
1 34 . 3 1 1 A 6 6 ARG H H 6 8.197 8.239 -0.042 1
1 35 . 3 1 1 A 6 6 ARG HA H 6 4.383 5.024 -0.641 1
1 42 . 3 1 1 A 6 6 ARG N N 6 121.014 121.937 -0.923 1
1 43 . 3 1 1 A 7 7 SER H H 7 8.400 8.932 -0.532 1
1 44 . 3 1 1 A 7 7 SER HA H 7 4.472 4.303 0.169 1
1 47 . 3 1 1 A 7 7 SER N N 7 116.921 116.174 0.747 1
1 48 . 3 1 1 A 8 8 LEU H H 8 8.376 7.878 0.498 1
1 49 . 3 1 1 A 8 8 LEU HA H 8 4.390 4.269 0.121 1
1 59 . 3 1 1 A 8 8 LEU N N 8 124.394 118.054 6.340 1
1 60 . 3 1 1 A 9 9 GLN H H 9 8.292 8.641 -0.349 1
1 61 . 3 1 1 A 9 9 GLN HA H 9 4.323 4.109 0.214 1
1 68 . 3 1 1 A 9 9 GLN N N 9 120.593 120.705 -0.112 1
1 70 . 3 1 1 A 10 10 GLY H H 10 8.417 7.974 0.443 1
1 71 . 3 1 1 A 10 10 GLY HA2 H 10 3.992 3.992 0.000 1
1 72 . 3 1 1 A 10 10 GLY HA3 H 10 3.992 3.993 -0.001 1
1 73 . 3 1 1 A 10 10 GLY N N 10 110.179 106.814 3.365 1
1 74 . 3 1 1 A 11 11 VAL H H 11 8.040 7.081 0.959 1
1 75 . 3 1 1 A 11 11 VAL HA H 11 4.208 4.868 -0.660 1
1 83 . 3 1 1 A 11 11 VAL N N 11 119.334 116.790 2.544 1
1 84 . 3 1 1 A 12 12 THR H H 12 8.210 8.415 -0.205 1
1 85 . 3 1 1 A 12 12 THR HA H 12 4.285 4.462 -0.177 1
1 90 . 3 1 1 A 12 12 THR N N 12 117.160 117.402 -0.242 1
1 91 . 3 1 1 A 13 13 GLY H H 13 8.388 8.124 0.264 1
1 92 . 3 1 1 A 13 13 GLY HA2 H 13 3.988 4.014 -0.026 1
1 93 . 3 1 1 A 13 13 GLY HA3 H 13 4.027 4.014 0.013 1
1 94 . 3 1 1 A 13 13 GLY N N 13 111.151 112.308 -1.157 1
1 95 . 3 1 1 A 14 14 ARG H H 14 8.169 7.800 0.369 1
1 96 . 3 1 1 A 14 14 ARG HA H 14 4.668 4.772 -0.104 1
1 103 . 3 1 1 A 14 14 ARG N N 14 121.499 118.534 2.965 1
1 104 . 3 1 1 A 15 15 PRO HA H 15 4.426 4.569 -0.143 1
1 111 . 3 1 1 A 16 16 ASP H H 16 8.475 8.757 -0.282 1
1 112 . 3 1 1 A 16 16 ASP HA H 16 4.556 4.319 0.237 1
1 115 . 3 1 1 A 16 16 ASP N N 16 119.586 121.810 -2.224 1
1 116 . 3 1 1 A 17 17 PHE H H 17 8.179 8.482 -0.303 1
1 117 . 3 1 1 A 17 17 PHE HA H 17 4.366 4.075 0.291 1
1 125 . 3 1 1 A 17 17 PHE N N 17 121.747 122.398 -0.651 1
1 126 . 3 1 1 A 18 18 GLN H H 18 8.200 8.344 -0.144 1
1 127 . 3 1 1 A 18 18 GLN HA H 18 3.998 4.003 -0.005 1
1 134 . 3 1 1 A 18 18 GLN N N 18 119.816 117.602 2.214 1
1 136 . 3 1 1 A 19 19 LYS H H 19 7.986 7.803 0.183 1
1 137 . 3 1 1 A 19 19 LYS HA H 19 4.126 4.130 -0.004 1
1 146 . 3 1 1 A 19 19 LYS N N 19 120.081 119.293 0.788 1
1 147 . 3 1 1 A 20 20 ARG H H 20 7.918 8.413 -0.495 1
1 148 . 3 1 1 A 20 20 ARG HA H 20 4.125 4.009 0.116 1
1 155 . 3 1 1 A 20 20 ARG N N 20 118.851 118.756 0.095 1
1 156 . 3 1 1 A 21 21 LEU H H 21 7.954 7.821 0.133 1
1 157 . 3 1 1 A 21 21 LEU HA H 21 4.127 3.814 0.313 1
1 167 . 3 1 1 A 21 21 LEU N N 21 121.258 122.385 -1.127 1
1 168 . 3 1 1 A 22 22 GLU H H 22 8.169 8.107 0.062 1
1 169 . 3 1 1 A 22 22 GLU HA H 22 3.981 4.053 -0.072 1
1 174 . 3 1 1 A 22 22 GLU N N 22 119.093 118.237 0.856 1
1 175 . 3 1 1 A 23 23 GLN H H 23 8.015 8.058 -0.043 1
1 176 . 3 1 1 A 23 23 GLN HA H 23 4.174 4.025 0.149 1
1 183 . 3 1 1 A 23 23 GLN N N 23 119.335 120.752 -1.417 1
1 185 . 3 1 1 A 24 24 MET H H 24 8.209 8.176 0.033 1
1 186 . 3 1 1 A 24 24 MET HA H 24 4.005 3.877 0.128 1
1 194 . 3 1 1 A 24 24 MET N N 24 119.750 118.350 1.400 1
1 195 . 3 1 1 A 25 25 LYS H H 25 8.387 7.986 0.401 1
1 196 . 3 1 1 A 25 25 LYS HA H 25 3.797 3.957 -0.160 1
1 205 . 3 1 1 A 25 25 LYS N N 25 119.097 120.328 -1.231 1
1 206 . 3 1 1 A 26 26 GLU H H 26 7.936 8.499 -0.563 1
1 207 . 3 1 1 A 26 26 GLU HA H 26 3.989 4.001 -0.012 1
1 212 . 3 1 1 A 26 26 GLU N N 26 117.895 118.783 -0.888 1
1 213 . 3 1 1 A 27 27 LYS H H 27 7.608 7.663 -0.055 1
1 214 . 3 1 1 A 27 27 LYS HA H 27 4.027 4.094 -0.067 1
1 223 . 3 1 1 A 27 27 LYS N N 27 117.438 118.741 -1.303 1
1 224 . 3 1 1 A 28 28 VAL H H 28 8.285 8.001 0.284 1
1 225 . 3 1 1 A 28 28 VAL HA H 28 3.813 3.681 0.132 1
1 233 . 3 1 1 A 28 28 VAL N N 28 118.134 119.606 -1.472 1
1 234 . 3 1 1 A 29 29 MET H H 29 8.030 8.721 -0.691 1
1 235 . 3 1 1 A 29 29 MET HA H 29 4.422 4.316 0.106 1
1 243 . 3 1 1 A 29 29 MET N N 29 112.840 118.649 -5.809 1
1 244 . 3 1 1 A 30 30 LYS H H 30 7.320 7.540 -0.220 1
1 245 . 3 1 1 A 30 30 LYS HA H 30 4.304 4.593 -0.289 1
1 254 . 3 1 1 A 30 30 LYS N N 30 116.038 117.333 -1.295 1
1 255 . 3 1 1 A 31 31 ASP H H 31 7.495 6.983 0.512 1
1 256 . 3 1 1 A 31 31 ASP HA H 31 4.594 4.673 -0.079 1
1 259 . 3 1 1 A 31 31 ASP N N 31 122.944 120.354 2.590 1
1 260 . 3 1 1 A 32 32 GLN H H 32 9.076 8.836 0.240 1
1 261 . 3 1 1 A 32 32 GLN HA H 32 4.029 4.095 -0.066 1
1 268 . 3 1 1 A 32 32 GLN N N 32 126.326 124.301 2.025 1
1 270 . 3 1 1 A 33 33 ASP H H 33 8.456 8.512 -0.056 1
1 271 . 3 1 1 A 33 33 ASP HA H 33 4.671 4.433 0.238 1
1 274 . 3 1 1 A 33 33 ASP N N 33 122.586 119.634 2.952 1
1 275 . 3 1 1 A 34 34 VAL H H 34 9.317 8.320 0.997 1
1 276 . 3 1 1 A 34 34 VAL HA H 34 3.521 3.529 -0.008 1
1 284 . 3 1 1 A 34 34 VAL N N 34 124.689 120.743 3.946 1
1 285 . 3 1 1 A 35 35 GLN H H 35 8.633 8.440 0.193 1
1 286 . 3 1 1 A 35 35 GLN HA H 35 3.901 3.995 -0.094 1
1 293 . 3 1 1 A 35 35 GLN N N 35 117.209 118.875 -1.666 1
1 295 . 3 1 1 A 36 36 ALA H H 36 7.935 8.125 -0.190 1
1 296 . 3 1 1 A 36 36 ALA HA H 36 4.211 4.180 0.031 1
1 300 . 3 1 1 A 36 36 ALA N N 36 121.503 122.336 -0.833 1
1 301 . 3 1 1 A 37 37 PHE H H 37 7.862 7.431 0.431 1
1 302 . 3 1 1 A 37 37 PHE HA H 37 4.357 4.314 0.043 1
1 310 . 3 1 1 A 37 37 PHE N N 37 121.040 119.144 1.896 1
1 311 . 3 1 1 A 38 38 LEU H H 38 8.848 8.810 0.038 1
1 312 . 3 1 1 A 38 38 LEU HA H 38 3.581 3.667 -0.086 1
1 322 . 3 1 1 A 38 38 LEU N N 38 120.561 119.524 1.037 1
1 323 . 3 1 1 A 39 39 LYS H H 39 7.885 8.717 -0.832 1
1 324 . 3 1 1 A 39 39 LYS HA H 39 4.142 4.002 0.140 1
1 333 . 3 1 1 A 39 39 LYS N N 39 118.613 118.733 -0.120 1
1 334 . 3 1 1 A 40 40 GLU H H 40 8.134 7.417 0.717 1
1 335 . 3 1 1 A 40 40 GLU HA H 40 4.054 4.036 0.018 1
1 340 . 3 1 1 A 40 40 GLU N N 40 119.387 119.593 -0.206 1
1 341 . 3 1 1 A 41 41 ASN H H 41 7.089 7.508 -0.419 1
1 342 . 3 1 1 A 41 41 ASN HA H 41 4.933 4.956 -0.023 1
1 347 . 3 1 1 A 41 41 ASN N N 41 114.032 115.565 -1.533 1
1 349 . 3 1 1 A 42 42 GLU H H 42 7.086 8.193 -1.107 1
1 350 . 3 1 1 A 42 42 GLU HA H 42 3.957 3.954 0.003 1
1 355 . 3 1 1 A 42 42 GLU N N 42 121.023 119.299 1.724 1
1 356 . 3 1 1 A 43 43 GLU H H 43 8.648 7.716 0.932 1
1 357 . 3 1 1 A 43 43 GLU HA H 43 4.207 4.085 0.122 1
1 362 . 3 1 1 A 43 43 GLU N N 43 115.965 120.462 -4.497 1
1 363 . 3 1 1 A 44 44 VAL H H 44 7.526 7.389 0.137 1
1 364 . 3 1 1 A 44 44 VAL HA H 44 4.445 4.109 0.336 1
1 372 . 3 1 1 A 44 44 VAL N N 44 110.987 117.069 -6.082 1
1 373 . 3 1 1 A 45 45 ILE H H 45 7.246 7.638 -0.392 1
1 374 . 3 1 1 A 45 45 ILE HA H 45 4.531 4.200 0.331 1
1 384 . 3 1 1 A 45 45 ILE N N 45 119.815 119.404 0.411 1
1 385 . 3 1 1 A 46 46 ASP H H 46 7.351 8.376 -1.025 1
1 386 . 3 1 1 A 46 46 ASP HA H 46 4.958 5.004 -0.046 1
1 389 . 3 1 1 A 46 46 ASP N N 46 124.659 126.679 -2.020 1
1 390 . 3 1 1 A 47 47 GLN H H 47 8.504 8.939 -0.435 1
1 391 . 3 1 1 A 47 47 GLN HA H 47 3.949 3.955 -0.006 1
1 398 . 3 1 1 A 47 47 GLN N N 47 117.654 123.603 -5.949 1
1 400 . 3 1 1 A 48 48 LYS H H 48 8.030 7.992 0.038 1
1 401 . 3 1 1 A 48 48 LYS HA H 48 4.132 4.041 0.091 1
1 410 . 3 1 1 A 48 48 LYS N N 48 119.335 119.535 -0.200 1
1 411 . 3 1 1 A 49 49 MET H H 49 8.250 8.148 0.102 1
1 412 . 3 1 1 A 49 49 MET HA H 49 4.132 4.228 -0.096 1
1 420 . 3 1 1 A 49 49 MET N N 49 120.061 118.963 1.098 1
1 421 . 3 1 1 A 50 50 ILE H H 50 7.726 7.968 -0.242 1
1 422 . 3 1 1 A 50 50 ILE HA H 50 3.379 3.631 -0.252 1
1 432 . 3 1 1 A 50 50 ILE N N 50 120.912 119.799 1.113 1
1 433 . 3 1 1 A 51 51 GLU H H 51 8.044 8.262 -0.218 1
1 434 . 3 1 1 A 51 51 GLU HA H 51 3.906 3.926 -0.020 1
1 439 . 3 1 1 A 51 51 GLU N N 51 117.413 118.970 -1.557 1
1 440 . 3 1 1 A 52 52 LYS H H 52 8.249 8.049 0.200 1
1 441 . 3 1 1 A 52 52 LYS HA H 52 4.318 4.069 0.249 1
1 450 . 3 1 1 A 52 52 LYS N N 52 117.183 120.597 -3.414 1
1 451 . 3 1 1 A 53 53 SER H H 53 7.664 7.341 0.323 1
1 452 . 3 1 1 A 53 53 SER HA H 53 5.067 4.880 0.187 1
1 455 . 3 1 1 A 53 53 SER N N 53 113.070 113.221 -0.151 1
1 456 . 3 1 1 A 54 54 LEU H H 54 7.375 7.382 -0.007 1
1 457 . 3 1 1 A 54 54 LEU HA H 54 3.980 4.007 -0.027 1
1 467 . 3 1 1 A 54 54 LEU N N 54 123.828 123.410 0.418 1
1 468 . 3 1 1 A 55 55 ASN H H 55 8.705 8.786 -0.081 1
1 469 . 3 1 1 A 55 55 ASN HA H 55 4.434 4.461 -0.027 1
1 474 . 3 1 1 A 55 55 ASN N N 55 114.672 116.371 -1.699 1
1 476 . 3 1 1 A 56 56 LYS H H 56 7.685 7.943 -0.258 1
1 477 . 3 1 1 A 56 56 LYS HA H 56 4.289 4.106 0.183 1
1 486 . 3 1 1 A 56 56 LYS N N 56 121.417 119.533 1.884 1
1 487 . 3 1 1 A 57 57 LEU H H 57 8.120 8.419 -0.299 1
1 488 . 3 1 1 A 57 57 LEU HA H 57 3.948 4.003 -0.055 1
1 498 . 3 1 1 A 57 57 LEU N N 57 118.616 119.471 -0.855 1
1 499 . 3 1 1 A 58 58 TYR H H 58 8.659 8.838 -0.179 1
1 500 . 3 1 1 A 58 58 TYR HA H 58 4.124 4.078 0.046 1
1 507 . 3 1 1 A 58 58 TYR N N 58 119.812 119.374 0.438 1
1 508 . 3 1 1 A 59 59 GLU H H 59 7.999 8.607 -0.608 1
1 509 . 3 1 1 A 59 59 GLU HA H 59 3.945 4.022 -0.077 1
1 514 . 3 1 1 A 59 59 GLU N N 59 118.851 119.343 -0.492 1
1 515 . 3 1 1 A 60 60 TYR H H 60 8.132 8.162 -0.030 1
1 516 . 3 1 1 A 60 60 TYR HA H 60 4.056 4.104 -0.048 1
1 523 . 3 1 1 A 60 60 TYR N N 60 118.616 120.988 -2.372 1
1 524 . 3 1 1 A 61 61 ILE H H 61 7.985 7.629 0.356 1
1 525 . 3 1 1 A 61 61 ILE HA H 61 3.638 3.533 0.105 1
1 535 . 3 1 1 A 61 61 ILE N N 61 115.242 117.591 -2.349 1
1 536 . 3 1 1 A 62 62 GLU H H 62 7.409 8.542 -1.133 1
1 537 . 3 1 1 A 62 62 GLU HA H 62 4.056 3.938 0.118 1
1 542 . 3 1 1 A 62 62 GLU N N 62 118.370 121.169 -2.799 1
1 543 . 3 1 1 A 63 63 GLN H H 63 7.320 7.332 -0.012 1
1 544 . 3 1 1 A 63 63 GLN HA H 63 4.583 4.443 0.140 1
1 551 . 3 1 1 A 63 63 GLN N N 63 118.398 121.198 -2.800 1
1 553 . 3 1 1 A 64 64 SER H H 64 8.134 8.311 -0.177 1
1 554 . 3 1 1 A 64 64 SER HA H 64 4.122 4.399 -0.277 1
1 557 . 3 1 1 A 64 64 SER N N 64 115.490 116.349 -0.859 1
1 558 . 3 1 1 A 65 65 LYS H H 65 8.663 8.592 0.071 1
1 559 . 3 1 1 A 65 65 LYS HA H 65 4.132 3.986 0.146 1
1 562 . 3 1 1 A 65 65 LYS N N 65 122.473 127.149 -4.676 1
1 563 . 3 1 1 A 66 66 ASN H H 66 8.010 7.208 0.802 1
1 564 . 3 1 1 A 66 66 ASN HA H 66 3.809 4.932 -1.123 1
1 569 . 3 1 1 A 66 66 ASN N N 66 117.420 115.161 2.259 1
1 571 . 3 1 1 A 67 67 CYS H H 67 7.649 8.130 -0.481 1
1 572 . 3 1 1 A 67 67 CYS HA H 67 5.108 5.172 -0.064 1
1 575 . 3 1 1 A 67 67 CYS N N 67 116.684 116.184 0.500 1
1 576 . 3 1 1 A 68 68 SER H H 68 8.891 9.051 -0.160 1
1 577 . 3 1 1 A 68 68 SER HA H 68 4.379 4.321 0.058 1
1 580 . 3 1 1 A 68 68 SER N N 68 115.241 117.820 -2.579 1
1 581 . 3 1 1 A 69 69 TYR H H 69 9.864 7.985 1.879 1
1 582 . 3 1 1 A 69 69 TYR HA H 69 4.569 4.286 0.283 1
1 589 . 3 1 1 A 69 69 TYR N N 69 124.277 121.949 2.328 1
1 590 . 3 1 1 A 70 70 CYS H H 70 7.841 8.247 -0.406 1
1 591 . 3 1 1 A 70 70 CYS HA H 70 4.920 4.770 0.150 1
1 594 . 3 1 1 A 70 70 CYS N N 70 115.300 113.884 1.416 1
1 595 . 3 1 1 A 71 71 SER H H 71 8.032 7.535 0.497 1
1 596 . 3 1 1 A 71 71 SER HA H 71 4.673 4.818 -0.145 1
1 599 . 3 1 1 A 71 71 SER N N 71 119.327 115.232 4.095 1
1 600 . 3 1 1 A 72 72 GLU H H 72 8.701 8.387 0.314 1
1 601 . 3 1 1 A 72 72 GLU HA H 72 4.459 4.368 0.091 1
1 606 . 3 1 1 A 72 72 GLU N N 72 122.947 125.884 -2.937 1
1 607 . 3 1 1 A 73 73 ASP H H 73 8.053 7.311 0.742 1
1 608 . 3 1 1 A 73 73 ASP HA H 73 4.529 4.608 -0.079 1
1 611 . 3 1 1 A 73 73 ASP N N 73 120.929 122.485 -1.556 1
1 612 . 3 1 1 A 74 74 GLU H H 74 8.754 9.020 -0.266 1
1 613 . 3 1 1 A 74 74 GLU HA H 74 4.251 4.018 0.233 1
1 618 . 3 1 1 A 74 74 GLU N N 74 122.241 125.938 -3.697 1
1 619 . 3 1 1 A 75 75 ASN H H 75 8.564 7.780 0.784 1
1 620 . 3 1 1 A 75 75 ASN HA H 75 4.803 4.803 0.000 1
1 625 . 3 1 1 A 75 75 ASN N N 75 117.681 117.554 0.127 1
1 627 . 3 1 1 A 76 76 CYS H H 76 7.923 8.142 -0.219 1
1 628 . 3 1 1 A 76 76 CYS HA H 76 4.377 5.091 -0.714 1
1 631 . 3 1 1 A 76 76 CYS N N 76 120.055 120.551 -0.496 1
1 632 . 3 1 1 A 77 77 ASN H H 77 8.717 8.536 0.181 1
1 633 . 3 1 1 A 77 77 ASN HA H 77 4.759 4.897 -0.138 1
1 638 . 3 1 1 A 77 77 ASN N N 77 122.469 123.337 -0.868 1
1 640 . 3 1 1 A 78 78 ASN H H 78 8.564 7.714 0.850 1
1 641 . 3 1 1 A 78 78 ASN HA H 78 4.772 4.952 -0.180 1
1 646 . 3 1 1 A 78 78 ASN N N 78 121.986 117.559 4.427 1
1 648 . 3 1 1 A 79 79 LEU H H 79 8.160 8.731 -0.571 1
1 649 . 3 1 1 A 79 79 LEU HA H 79 4.282 4.294 -0.012 1
1 659 . 3 1 1 A 79 79 LEU N N 79 122.221 120.853 1.368 1
1 660 . 3 1 1 A 80 80 LEU H H 80 8.034 7.486 0.548 1
1 661 . 3 1 1 A 80 80 LEU HA H 80 4.391 4.299 0.092 1
1 671 . 3 1 1 A 80 80 LEU N N 80 121.024 121.521 -0.497 1
1 672 . 3 1 1 A 81 81 GLU H H 81 8.105 8.801 -0.696 1
1 673 . 3 1 1 A 81 81 GLU HA H 81 4.298 4.281 0.017 1
1 678 . 3 1 1 A 81 81 GLU N N 81 122.466 125.244 -2.778 1
1 679 . 3 1 1 A 82 82 GLY H H 82 8.274 8.859 -0.585 1
1 680 . 3 1 1 A 82 82 GLY HA2 H 82 3.852 3.712 0.140 1
1 681 . 3 1 1 A 82 82 GLY HA3 H 82 3.988 3.860 0.128 1
1 682 . 3 1 1 A 82 82 GLY N N 82 112.347 114.734 -2.387 1
1 683 . 3 1 1 A 83 83 TYR H H 83 7.850 8.159 -0.309 1
1 684 . 3 1 1 A 83 83 TYR HA H 83 5.113 5.294 -0.181 1
1 691 . 3 1 1 A 83 83 TYR N N 83 118.873 119.009 -0.136 1
1 692 . 3 1 1 A 84 84 HIS H H 84 9.473 9.118 0.355 1
1 693 . 3 1 1 A 84 84 HIS HA H 84 5.117 4.793 0.324 1
1 698 . 3 1 1 A 84 84 HIS N N 84 120.297 118.642 1.655 1
1 699 . 3 1 1 A 85 85 PRO HA H 85 4.678 4.154 0.524 1
1 706 . 3 1 1 A 86 86 LYS H H 86 9.027 8.759 0.268 1
1 707 . 3 1 1 A 86 86 LYS HA H 86 4.709 4.966 -0.257 1
1 716 . 3 1 1 A 86 86 LYS N N 86 119.573 115.933 3.640 1
1 717 . 3 1 1 A 87 87 LEU H H 87 7.785 7.806 -0.021 1
1 718 . 3 1 1 A 87 87 LEU HA H 87 4.414 4.457 -0.043 1
1 727 . 3 1 1 A 87 87 LEU N N 87 123.673 122.507 1.166 1
1 728 . 3 1 1 A 88 88 VAL H H 88 8.443 9.160 -0.717 1
1 729 . 3 1 1 A 88 88 VAL HA H 88 4.616 5.051 -0.435 1
1 737 . 3 1 1 A 88 88 VAL N N 88 115.720 118.070 -2.350 1
1 738 . 3 1 1 A 89 89 VAL H H 89 8.621 8.985 -0.364 1
1 739 . 3 1 1 A 89 89 VAL HA H 89 4.471 4.772 -0.301 1
1 747 . 3 1 1 A 89 89 VAL N N 89 122.477 123.573 -1.096 1
1 748 . 3 1 1 A 90 90 ASN H H 90 8.721 9.024 -0.303 1
1 749 . 3 1 1 A 90 90 ASN HA H 90 5.020 5.064 -0.044 1
1 754 . 3 1 1 A 90 90 ASN N N 90 127.524 127.647 -0.123 1
1 756 . 3 1 1 A 91 91 GLY H H 91 9.006 8.923 0.083 1
1 757 . 3 1 1 A 91 91 GLY HA2 H 91 3.639 3.880 -0.241 1
1 758 . 3 1 1 A 91 91 GLY HA3 H 91 3.993 3.881 0.112 1
1 759 . 3 1 1 A 91 91 GLY N N 91 115.517 115.868 -0.351 1
1 760 . 3 1 1 A 92 92 ARG H H 92 8.675 8.637 0.038 1
1 761 . 3 1 1 A 92 92 ARG HA H 92 4.530 4.440 0.090 1
1 768 . 3 1 1 A 92 92 ARG N N 92 125.836 126.736 -0.900 1
1 769 . 3 1 1 A 93 93 SER H H 93 7.875 7.633 0.242 1
1 770 . 3 1 1 A 93 93 SER HA H 93 4.707 5.050 -0.343 1
1 773 . 3 1 1 A 93 93 SER N N 93 114.996 116.580 -1.584 1
1 774 . 3 1 1 A 94 94 ILE H H 94 7.943 9.072 -1.129 1
1 775 . 3 1 1 A 94 94 ILE HA H 94 4.694 4.919 -0.225 1
1 785 . 3 1 1 A 94 94 ILE N N 94 123.668 125.661 -1.993 1
1 786 . 3 1 1 A 95 95 ASP H H 95 8.975 9.458 -0.483 1
1 787 . 3 1 1 A 95 95 ASP HA H 95 4.995 5.397 -0.402 1
1 790 . 3 1 1 A 95 95 ASP N N 95 128.002 127.189 0.813 1
1 791 . 3 1 1 A 96 96 ILE H H 96 8.672 8.506 0.166 1
1 792 . 3 1 1 A 96 96 ILE HA H 96 4.669 5.247 -0.578 1
1 802 . 3 1 1 A 96 96 ILE N N 96 118.150 121.298 -3.148 1
1 803 . 3 1 1 A 97 97 GLU H H 97 8.990 9.467 -0.477 1
1 804 . 3 1 1 A 97 97 GLU HA H 97 4.604 5.129 -0.525 1
1 809 . 3 1 1 A 97 97 GLU N N 97 128.072 127.547 0.525 1
1 810 . 3 1 1 A 98 98 TYR H H 98 8.544 8.573 -0.029 1
1 811 . 3 1 1 A 98 98 TYR HA H 98 5.662 5.687 -0.025 1
1 818 . 3 1 1 A 98 98 TYR N N 98 118.130 120.590 -2.460 1
1 819 . 3 1 1 A 99 99 TYR H H 99 9.389 9.098 0.291 1
1 820 . 3 1 1 A 99 99 TYR HA H 99 5.258 5.921 -0.663 1
1 827 . 3 1 1 A 99 99 TYR N N 99 121.021 120.142 0.879 1
1 828 . 3 1 1 A 100 100 GLU H H 100 8.942 8.664 0.278 1
1 829 . 3 1 1 A 100 100 GLU HA H 100 3.495 4.042 -0.547 1
1 834 . 3 1 1 A 100 100 GLU N N 100 122.954 122.068 0.886 1
1 835 . 3 1 1 A 101 101 CYS H H 101 7.742 8.707 -0.965 1
1 836 . 3 1 1 A 101 101 CYS HA H 101 3.342 4.157 -0.815 1
1 839 . 3 1 1 A 101 101 CYS N N 101 125.649 125.394 0.255 1
1 840 . 3 1 1 A 102 102 PRO HA H 102 4.415 4.476 -0.061 1
1 847 . 3 1 1 A 103 103 VAL H H 103 8.493 7.858 0.635 1
1 848 . 3 1 1 A 103 103 VAL HA H 103 3.990 3.961 0.029 1
1 856 . 3 1 1 A 103 103 VAL N N 103 121.026 117.469 3.557 1
1 857 . 3 1 1 A 104 104 LYS H H 104 7.585 7.560 0.025 1
1 858 . 3 1 1 A 104 104 LYS HA H 104 3.972 4.286 -0.314 1
1 867 . 3 1 1 A 104 104 LYS N N 104 122.941 118.608 4.333 1
1 868 . 3 1 1 A 105 105 ARG H H 105 7.848 7.581 0.267 1
1 869 . 3 1 1 A 105 105 ARG HA H 105 4.276 4.754 -0.478 1
1 876 . 3 1 1 A 105 105 ARG N N 105 121.986 121.342 0.644 1
1 6 . 4 1 1 A 2 2 GLU HA H 2 4.671 4.633 0.038 1
1 11 . 4 1 1 A 3 3 PRO HA H 3 4.473 4.635 -0.162 1
1 18 . 4 1 1 A 4 4 ILE H H 4 8.270 8.412 -0.142 1
1 19 . 4 1 1 A 4 4 ILE HA H 4 4.156 4.206 -0.050 1
1 29 . 4 1 1 A 4 4 ILE N N 4 121.501 120.011 1.490 1
1 30 . 4 1 1 A 5 5 GLY H H 5 8.516 7.735 0.781 1
1 31 . 4 1 1 A 5 5 GLY HA2 H 5 3.952 3.987 -0.035 1
1 32 . 4 1 1 A 5 5 GLY HA3 H 5 3.992 3.988 0.004 1
1 33 . 4 1 1 A 5 5 GLY N N 5 112.831 109.998 2.833 1
1 34 . 4 1 1 A 6 6 ARG H H 6 8.197 8.813 -0.616 1
1 35 . 4 1 1 A 6 6 ARG HA H 6 4.383 4.679 -0.296 1
1 42 . 4 1 1 A 6 6 ARG N N 6 121.014 122.963 -1.949 1
1 43 . 4 1 1 A 7 7 SER H H 7 8.400 9.025 -0.625 1
1 44 . 4 1 1 A 7 7 SER HA H 7 4.472 4.469 0.003 1
1 47 . 4 1 1 A 7 7 SER N N 7 116.921 119.874 -2.953 1
1 48 . 4 1 1 A 8 8 LEU H H 8 8.376 8.913 -0.537 1
1 49 . 4 1 1 A 8 8 LEU HA H 8 4.390 4.594 -0.204 1
1 59 . 4 1 1 A 8 8 LEU N N 8 124.394 127.175 -2.781 1
1 60 . 4 1 1 A 9 9 GLN H H 9 8.292 7.646 0.646 1
1 61 . 4 1 1 A 9 9 GLN HA H 9 4.323 4.666 -0.343 1
1 68 . 4 1 1 A 9 9 GLN N N 9 120.593 117.451 3.142 1
1 70 . 4 1 1 A 10 10 GLY H H 10 8.417 8.817 -0.400 1
1 71 . 4 1 1 A 10 10 GLY HA2 H 10 3.992 4.130 -0.138 1
1 72 . 4 1 1 A 10 10 GLY HA3 H 10 3.992 4.131 -0.139 1
1 73 . 4 1 1 A 10 10 GLY N N 10 110.179 110.559 -0.380 1
1 74 . 4 1 1 A 11 11 VAL H H 11 8.040 7.435 0.605 1
1 75 . 4 1 1 A 11 11 VAL HA H 11 4.208 4.316 -0.108 1
1 83 . 4 1 1 A 11 11 VAL N N 11 119.334 119.556 -0.222 1
1 84 . 4 1 1 A 12 12 THR H H 12 8.210 8.503 -0.293 1
1 85 . 4 1 1 A 12 12 THR HA H 12 4.285 4.419 -0.134 1
1 90 . 4 1 1 A 12 12 THR N N 12 117.160 121.238 -4.078 1
1 91 . 4 1 1 A 13 13 GLY H H 13 8.388 7.757 0.631 1
1 92 . 4 1 1 A 13 13 GLY HA2 H 13 3.988 4.177 -0.189 1
1 93 . 4 1 1 A 13 13 GLY HA3 H 13 4.027 4.177 -0.150 1
1 94 . 4 1 1 A 13 13 GLY N N 13 111.151 110.201 0.950 1
1 95 . 4 1 1 A 14 14 ARG H H 14 8.169 8.735 -0.566 1
1 96 . 4 1 1 A 14 14 ARG HA H 14 4.668 4.951 -0.283 1
1 103 . 4 1 1 A 14 14 ARG N N 14 121.499 124.738 -3.239 1
1 104 . 4 1 1 A 15 15 PRO HA H 15 4.426 4.640 -0.214 1
1 111 . 4 1 1 A 16 16 ASP H H 16 8.475 8.801 -0.326 1
1 112 . 4 1 1 A 16 16 ASP HA H 16 4.556 4.348 0.208 1
1 115 . 4 1 1 A 16 16 ASP N N 16 119.586 124.029 -4.443 1
1 116 . 4 1 1 A 17 17 PHE H H 17 8.179 8.373 -0.194 1
1 117 . 4 1 1 A 17 17 PHE HA H 17 4.366 4.052 0.314 1
1 125 . 4 1 1 A 17 17 PHE N N 17 121.747 122.134 -0.387 1
1 126 . 4 1 1 A 18 18 GLN H H 18 8.200 8.514 -0.314 1
1 127 . 4 1 1 A 18 18 GLN HA H 18 3.998 3.932 0.066 1
1 134 . 4 1 1 A 18 18 GLN N N 18 119.816 117.507 2.309 1
1 136 . 4 1 1 A 19 19 LYS H H 19 7.986 7.583 0.403 1
1 137 . 4 1 1 A 19 19 LYS HA H 19 4.126 4.135 -0.009 1
1 146 . 4 1 1 A 19 19 LYS N N 19 120.081 119.243 0.838 1
1 147 . 4 1 1 A 20 20 ARG H H 20 7.918 7.792 0.126 1
1 148 . 4 1 1 A 20 20 ARG HA H 20 4.125 4.021 0.104 1
1 155 . 4 1 1 A 20 20 ARG N N 20 118.851 118.852 -0.001 1
1 156 . 4 1 1 A 21 21 LEU H H 21 7.954 7.566 0.388 1
1 157 . 4 1 1 A 21 21 LEU HA H 21 4.127 3.860 0.267 1
1 167 . 4 1 1 A 21 21 LEU N N 21 121.258 122.526 -1.268 1
1 168 . 4 1 1 A 22 22 GLU H H 22 8.169 8.678 -0.509 1
1 169 . 4 1 1 A 22 22 GLU HA H 22 3.981 3.856 0.125 1
1 174 . 4 1 1 A 22 22 GLU N N 22 119.093 118.218 0.875 1
1 175 . 4 1 1 A 23 23 GLN H H 23 8.015 7.927 0.088 1
1 176 . 4 1 1 A 23 23 GLN HA H 23 4.174 4.051 0.123 1
1 183 . 4 1 1 A 23 23 GLN N N 23 119.335 119.854 -0.519 1
1 185 . 4 1 1 A 24 24 MET H H 24 8.209 8.309 -0.100 1
1 186 . 4 1 1 A 24 24 MET HA H 24 4.005 3.995 0.010 1
1 194 . 4 1 1 A 24 24 MET N N 24 119.750 118.336 1.414 1
1 195 . 4 1 1 A 25 25 LYS H H 25 8.387 8.165 0.222 1
1 196 . 4 1 1 A 25 25 LYS HA H 25 3.797 3.947 -0.150 1
1 205 . 4 1 1 A 25 25 LYS N N 25 119.097 120.384 -1.287 1
1 206 . 4 1 1 A 26 26 GLU H H 26 7.936 8.028 -0.092 1
1 207 . 4 1 1 A 26 26 GLU HA H 26 3.989 4.065 -0.076 1
1 212 . 4 1 1 A 26 26 GLU N N 26 117.895 118.329 -0.434 1
1 213 . 4 1 1 A 27 27 LYS H H 27 7.608 7.711 -0.103 1
1 214 . 4 1 1 A 27 27 LYS HA H 27 4.027 4.086 -0.059 1
1 223 . 4 1 1 A 27 27 LYS N N 27 117.438 118.858 -1.420 1
1 224 . 4 1 1 A 28 28 VAL H H 28 8.285 8.298 -0.013 1
1 225 . 4 1 1 A 28 28 VAL HA H 28 3.813 3.669 0.144 1
1 233 . 4 1 1 A 28 28 VAL N N 28 118.134 119.411 -1.277 1
1 234 . 4 1 1 A 29 29 MET H H 29 8.030 7.802 0.228 1
1 235 . 4 1 1 A 29 29 MET HA H 29 4.422 4.440 -0.018 1
1 243 . 4 1 1 A 29 29 MET N N 29 112.840 117.955 -5.115 1
1 244 . 4 1 1 A 30 30 LYS H H 30 7.320 7.634 -0.314 1
1 245 . 4 1 1 A 30 30 LYS HA H 30 4.304 4.408 -0.104 1
1 254 . 4 1 1 A 30 30 LYS N N 30 116.038 116.926 -0.888 1
1 255 . 4 1 1 A 31 31 ASP H H 31 7.495 7.795 -0.300 1
1 256 . 4 1 1 A 31 31 ASP HA H 31 4.594 4.637 -0.043 1
1 259 . 4 1 1 A 31 31 ASP N N 31 122.944 121.777 1.167 1
1 260 . 4 1 1 A 32 32 GLN H H 32 9.076 8.878 0.198 1
1 261 . 4 1 1 A 32 32 GLN HA H 32 4.029 3.967 0.062 1
1 268 . 4 1 1 A 32 32 GLN N N 32 126.326 125.436 0.890 1
1 270 . 4 1 1 A 33 33 ASP H H 33 8.456 7.687 0.769 1
1 271 . 4 1 1 A 33 33 ASP HA H 33 4.671 4.573 0.098 1
1 274 . 4 1 1 A 33 33 ASP N N 33 122.586 120.494 2.092 1
1 275 . 4 1 1 A 34 34 VAL H H 34 9.317 8.715 0.602 1
1 276 . 4 1 1 A 34 34 VAL HA H 34 3.521 3.526 -0.005 1
1 284 . 4 1 1 A 34 34 VAL N N 34 124.689 120.602 4.087 1
1 285 . 4 1 1 A 35 35 GLN H H 35 8.633 8.211 0.422 1
1 286 . 4 1 1 A 35 35 GLN HA H 35 3.901 4.074 -0.173 1
1 293 . 4 1 1 A 35 35 GLN N N 35 117.209 119.855 -2.646 1
1 295 . 4 1 1 A 36 36 ALA H H 36 7.935 7.706 0.229 1
1 296 . 4 1 1 A 36 36 ALA HA H 36 4.211 4.127 0.084 1
1 300 . 4 1 1 A 36 36 ALA N N 36 121.503 122.329 -0.826 1
1 301 . 4 1 1 A 37 37 PHE H H 37 7.862 8.566 -0.704 1
1 302 . 4 1 1 A 37 37 PHE HA H 37 4.357 4.311 0.046 1
1 310 . 4 1 1 A 37 37 PHE N N 37 121.040 119.891 1.149 1
1 311 . 4 1 1 A 38 38 LEU H H 38 8.848 8.632 0.216 1
1 312 . 4 1 1 A 38 38 LEU HA H 38 3.581 3.775 -0.194 1
1 322 . 4 1 1 A 38 38 LEU N N 38 120.561 119.991 0.570 1
1 323 . 4 1 1 A 39 39 LYS H H 39 7.885 8.214 -0.329 1
1 324 . 4 1 1 A 39 39 LYS HA H 39 4.142 4.034 0.108 1
1 333 . 4 1 1 A 39 39 LYS N N 39 118.613 118.500 0.113 1
1 334 . 4 1 1 A 40 40 GLU H H 40 8.134 7.575 0.559 1
1 335 . 4 1 1 A 40 40 GLU HA H 40 4.054 4.086 -0.032 1
1 340 . 4 1 1 A 40 40 GLU N N 40 119.387 118.761 0.626 1
1 341 . 4 1 1 A 41 41 ASN H H 41 7.089 7.394 -0.305 1
1 342 . 4 1 1 A 41 41 ASN HA H 41 4.933 4.912 0.021 1
1 347 . 4 1 1 A 41 41 ASN N N 41 114.032 115.555 -1.523 1
1 349 . 4 1 1 A 42 42 GLU H H 42 7.086 8.320 -1.234 1
1 350 . 4 1 1 A 42 42 GLU HA H 42 3.957 3.999 -0.042 1
1 355 . 4 1 1 A 42 42 GLU N N 42 121.023 119.330 1.693 1
1 356 . 4 1 1 A 43 43 GLU H H 43 8.648 7.657 0.991 1
1 357 . 4 1 1 A 43 43 GLU HA H 43 4.207 4.091 0.116 1
1 362 . 4 1 1 A 43 43 GLU N N 43 115.965 120.406 -4.441 1
1 363 . 4 1 1 A 44 44 VAL H H 44 7.526 7.583 -0.057 1
1 364 . 4 1 1 A 44 44 VAL HA H 44 4.445 4.083 0.362 1
1 372 . 4 1 1 A 44 44 VAL N N 44 110.987 117.465 -6.478 1
1 373 . 4 1 1 A 45 45 ILE H H 45 7.246 7.812 -0.566 1
1 374 . 4 1 1 A 45 45 ILE HA H 45 4.531 4.182 0.349 1
1 384 . 4 1 1 A 45 45 ILE N N 45 119.815 119.196 0.619 1
1 385 . 4 1 1 A 46 46 ASP H H 46 7.351 8.483 -1.132 1
1 386 . 4 1 1 A 46 46 ASP HA H 46 4.958 4.981 -0.023 1
1 389 . 4 1 1 A 46 46 ASP N N 46 124.659 125.562 -0.903 1
1 390 . 4 1 1 A 47 47 GLN H H 47 8.504 8.867 -0.363 1
1 391 . 4 1 1 A 47 47 GLN HA H 47 3.949 3.962 -0.013 1
1 398 . 4 1 1 A 47 47 GLN N N 47 117.654 118.438 -0.784 1
1 400 . 4 1 1 A 48 48 LYS H H 48 8.030 8.009 0.021 1
1 401 . 4 1 1 A 48 48 LYS HA H 48 4.132 4.051 0.081 1
1 410 . 4 1 1 A 48 48 LYS N N 48 119.335 119.667 -0.332 1
1 411 . 4 1 1 A 49 49 MET H H 49 8.250 8.176 0.074 1
1 412 . 4 1 1 A 49 49 MET HA H 49 4.132 4.175 -0.043 1
1 420 . 4 1 1 A 49 49 MET N N 49 120.061 118.637 1.424 1
1 421 . 4 1 1 A 50 50 ILE H H 50 7.726 7.914 -0.188 1
1 422 . 4 1 1 A 50 50 ILE HA H 50 3.379 3.588 -0.209 1
1 432 . 4 1 1 A 50 50 ILE N N 50 120.912 119.837 1.075 1
1 433 . 4 1 1 A 51 51 GLU H H 51 8.044 8.221 -0.177 1
1 434 . 4 1 1 A 51 51 GLU HA H 51 3.906 3.963 -0.057 1
1 439 . 4 1 1 A 51 51 GLU N N 51 117.413 119.330 -1.917 1
1 440 . 4 1 1 A 52 52 LYS H H 52 8.249 8.202 0.047 1
1 441 . 4 1 1 A 52 52 LYS HA H 52 4.318 4.176 0.142 1
1 450 . 4 1 1 A 52 52 LYS N N 52 117.183 119.900 -2.717 1
1 451 . 4 1 1 A 53 53 SER H H 53 7.664 7.525 0.139 1
1 452 . 4 1 1 A 53 53 SER HA H 53 5.067 4.640 0.427 1
1 455 . 4 1 1 A 53 53 SER N N 53 113.070 111.580 1.490 1
1 456 . 4 1 1 A 54 54 LEU H H 54 7.375 7.612 -0.237 1
1 457 . 4 1 1 A 54 54 LEU HA H 54 3.980 3.974 0.006 1
1 467 . 4 1 1 A 54 54 LEU N N 54 123.828 123.468 0.360 1
1 468 . 4 1 1 A 55 55 ASN H H 55 8.705 8.696 0.009 1
1 469 . 4 1 1 A 55 55 ASN HA H 55 4.434 4.492 -0.058 1
1 474 . 4 1 1 A 55 55 ASN N N 55 114.672 116.835 -2.163 1
1 476 . 4 1 1 A 56 56 LYS H H 56 7.685 7.713 -0.028 1
1 477 . 4 1 1 A 56 56 LYS HA H 56 4.289 4.119 0.170 1
1 486 . 4 1 1 A 56 56 LYS N N 56 121.417 119.937 1.480 1
1 487 . 4 1 1 A 57 57 LEU H H 57 8.120 8.677 -0.557 1
1 488 . 4 1 1 A 57 57 LEU HA H 57 3.948 3.962 -0.014 1
1 498 . 4 1 1 A 57 57 LEU N N 57 118.616 119.518 -0.902 1
1 499 . 4 1 1 A 58 58 TYR H H 58 8.659 8.615 0.044 1
1 500 . 4 1 1 A 58 58 TYR HA H 58 4.124 4.048 0.076 1
1 507 . 4 1 1 A 58 58 TYR N N 58 119.812 119.156 0.656 1
1 508 . 4 1 1 A 59 59 GLU H H 59 7.999 8.395 -0.396 1
1 509 . 4 1 1 A 59 59 GLU HA H 59 3.945 3.954 -0.009 1
1 514 . 4 1 1 A 59 59 GLU N N 59 118.851 118.052 0.799 1
1 515 . 4 1 1 A 60 60 TYR H H 60 8.132 8.196 -0.064 1
1 516 . 4 1 1 A 60 60 TYR HA H 60 4.056 4.069 -0.013 1
1 523 . 4 1 1 A 60 60 TYR N N 60 118.616 121.555 -2.939 1
1 524 . 4 1 1 A 61 61 ILE H H 61 7.985 7.620 0.365 1
1 525 . 4 1 1 A 61 61 ILE HA H 61 3.638 3.520 0.118 1
1 535 . 4 1 1 A 61 61 ILE N N 61 115.242 117.993 -2.751 1
1 536 . 4 1 1 A 62 62 GLU H H 62 7.409 7.528 -0.119 1
1 537 . 4 1 1 A 62 62 GLU HA H 62 4.056 4.098 -0.042 1
1 542 . 4 1 1 A 62 62 GLU N N 62 118.370 119.784 -1.414 1
1 543 . 4 1 1 A 63 63 GLN H H 63 7.320 7.290 0.030 1
1 544 . 4 1 1 A 63 63 GLN HA H 63 4.583 4.415 0.168 1
1 551 . 4 1 1 A 63 63 GLN N N 63 118.398 118.158 0.240 1
1 553 . 4 1 1 A 64 64 SER H H 64 8.134 8.776 -0.642 1
1 554 . 4 1 1 A 64 64 SER HA H 64 4.122 4.247 -0.125 1
1 557 . 4 1 1 A 64 64 SER N N 64 115.490 117.613 -2.123 1
1 558 . 4 1 1 A 65 65 LYS H H 65 8.663 8.552 0.111 1
1 559 . 4 1 1 A 65 65 LYS HA H 65 4.132 3.873 0.259 1
1 562 . 4 1 1 A 65 65 LYS N N 65 122.473 127.354 -4.881 1
1 563 . 4 1 1 A 66 66 ASN H H 66 8.010 7.600 0.410 1
1 564 . 4 1 1 A 66 66 ASN HA H 66 3.809 4.605 -0.796 1
1 569 . 4 1 1 A 66 66 ASN N N 66 117.420 113.423 3.997 1
1 571 . 4 1 1 A 67 67 CYS H H 67 7.649 7.936 -0.287 1
1 572 . 4 1 1 A 67 67 CYS HA H 67 5.108 4.696 0.412 1
1 575 . 4 1 1 A 67 67 CYS N N 67 116.684 114.827 1.857 1
1 576 . 4 1 1 A 68 68 SER H H 68 8.891 9.394 -0.503 1
1 577 . 4 1 1 A 68 68 SER HA H 68 4.379 4.144 0.235 1
1 580 . 4 1 1 A 68 68 SER N N 68 115.241 118.422 -3.181 1
1 581 . 4 1 1 A 69 69 TYR H H 69 9.864 8.269 1.595 1
1 582 . 4 1 1 A 69 69 TYR HA H 69 4.569 4.301 0.268 1
1 589 . 4 1 1 A 69 69 TYR N N 69 124.277 121.378 2.899 1
1 590 . 4 1 1 A 70 70 CYS H H 70 7.841 8.063 -0.222 1
1 591 . 4 1 1 A 70 70 CYS HA H 70 4.920 4.770 0.150 1
1 594 . 4 1 1 A 70 70 CYS N N 70 115.300 113.965 1.335 1
1 595 . 4 1 1 A 71 71 SER H H 71 8.032 7.768 0.264 1
1 596 . 4 1 1 A 71 71 SER HA H 71 4.673 4.926 -0.253 1
1 599 . 4 1 1 A 71 71 SER N N 71 119.327 116.869 2.458 1
1 600 . 4 1 1 A 72 72 GLU H H 72 8.701 9.035 -0.334 1
1 601 . 4 1 1 A 72 72 GLU HA H 72 4.459 4.172 0.287 1
1 606 . 4 1 1 A 72 72 GLU N N 72 122.947 123.975 -1.028 1
1 607 . 4 1 1 A 73 73 ASP H H 73 8.053 7.507 0.546 1
1 608 . 4 1 1 A 73 73 ASP HA H 73 4.529 4.867 -0.338 1
1 611 . 4 1 1 A 73 73 ASP N N 73 120.929 119.303 1.626 1
1 612 . 4 1 1 A 74 74 GLU H H 74 8.754 8.364 0.390 1
1 613 . 4 1 1 A 74 74 GLU HA H 74 4.251 4.135 0.116 1
1 618 . 4 1 1 A 74 74 GLU N N 74 122.241 125.203 -2.962 1
1 619 . 4 1 1 A 75 75 ASN H H 75 8.564 7.959 0.605 1
1 620 . 4 1 1 A 75 75 ASN HA H 75 4.803 4.608 0.195 1
1 625 . 4 1 1 A 75 75 ASN N N 75 117.681 117.179 0.502 1
1 627 . 4 1 1 A 76 76 CYS H H 76 7.923 7.472 0.451 1
1 628 . 4 1 1 A 76 76 CYS HA H 76 4.377 4.416 -0.039 1
1 631 . 4 1 1 A 76 76 CYS N N 76 120.055 118.278 1.777 1
1 632 . 4 1 1 A 77 77 ASN H H 77 8.717 8.893 -0.176 1
1 633 . 4 1 1 A 77 77 ASN HA H 77 4.759 4.901 -0.142 1
1 638 . 4 1 1 A 77 77 ASN N N 77 122.469 126.068 -3.599 1
1 640 . 4 1 1 A 78 78 ASN H H 78 8.564 8.815 -0.251 1
1 641 . 4 1 1 A 78 78 ASN HA H 78 4.772 5.042 -0.270 1
1 646 . 4 1 1 A 78 78 ASN N N 78 121.986 125.319 -3.333 1
1 648 . 4 1 1 A 79 79 LEU H H 79 8.160 8.665 -0.505 1
1 649 . 4 1 1 A 79 79 LEU HA H 79 4.282 4.136 0.146 1
1 659 . 4 1 1 A 79 79 LEU N N 79 122.221 122.716 -0.495 1
1 660 . 4 1 1 A 80 80 LEU H H 80 8.034 7.749 0.285 1
1 661 . 4 1 1 A 80 80 LEU HA H 80 4.391 4.587 -0.196 1
1 671 . 4 1 1 A 80 80 LEU N N 80 121.024 119.220 1.804 1
1 672 . 4 1 1 A 81 81 GLU H H 81 8.105 8.869 -0.764 1
1 673 . 4 1 1 A 81 81 GLU HA H 81 4.298 4.595 -0.297 1
1 678 . 4 1 1 A 81 81 GLU N N 81 122.466 125.343 -2.877 1
1 679 . 4 1 1 A 82 82 GLY H H 82 8.274 8.872 -0.598 1
1 680 . 4 1 1 A 82 82 GLY HA2 H 82 3.852 3.608 0.244 1
1 681 . 4 1 1 A 82 82 GLY HA3 H 82 3.988 3.745 0.243 1
1 682 . 4 1 1 A 82 82 GLY N N 82 112.347 114.377 -2.030 1
1 683 . 4 1 1 A 83 83 TYR H H 83 7.850 8.085 -0.235 1
1 684 . 4 1 1 A 83 83 TYR HA H 83 5.113 5.211 -0.098 1
1 691 . 4 1 1 A 83 83 TYR N N 83 118.873 119.140 -0.267 1
1 692 . 4 1 1 A 84 84 HIS H H 84 9.473 8.829 0.644 1
1 693 . 4 1 1 A 84 84 HIS HA H 84 5.117 4.901 0.216 1
1 698 . 4 1 1 A 84 84 HIS N N 84 120.297 118.101 2.196 1
1 699 . 4 1 1 A 85 85 PRO HA H 85 4.678 4.277 0.401 1
1 706 . 4 1 1 A 86 86 LYS H H 86 9.027 8.691 0.336 1
1 707 . 4 1 1 A 86 86 LYS HA H 86 4.709 5.253 -0.544 1
1 716 . 4 1 1 A 86 86 LYS N N 86 119.573 116.756 2.817 1
1 717 . 4 1 1 A 87 87 LEU H H 87 7.785 7.832 -0.047 1
1 718 . 4 1 1 A 87 87 LEU HA H 87 4.414 4.371 0.043 1
1 727 . 4 1 1 A 87 87 LEU N N 87 123.673 122.888 0.785 1
1 728 . 4 1 1 A 88 88 VAL H H 88 8.443 9.042 -0.599 1
1 729 . 4 1 1 A 88 88 VAL HA H 88 4.616 5.129 -0.513 1
1 737 . 4 1 1 A 88 88 VAL N N 88 115.720 118.043 -2.323 1
1 738 . 4 1 1 A 89 89 VAL H H 89 8.621 9.034 -0.413 1
1 739 . 4 1 1 A 89 89 VAL HA H 89 4.471 4.789 -0.318 1
1 747 . 4 1 1 A 89 89 VAL N N 89 122.477 122.992 -0.515 1
1 748 . 4 1 1 A 90 90 ASN H H 90 8.721 9.301 -0.580 1
1 749 . 4 1 1 A 90 90 ASN HA H 90 5.020 5.134 -0.114 1
1 754 . 4 1 1 A 90 90 ASN N N 90 127.524 124.765 2.759 1
1 756 . 4 1 1 A 91 91 GLY H H 91 9.006 8.904 0.102 1
1 757 . 4 1 1 A 91 91 GLY HA2 H 91 3.639 3.867 -0.228 1
1 758 . 4 1 1 A 91 91 GLY HA3 H 91 3.993 3.869 0.124 1
1 759 . 4 1 1 A 91 91 GLY N N 91 115.517 115.413 0.104 1
1 760 . 4 1 1 A 92 92 ARG H H 92 8.675 8.625 0.050 1
1 761 . 4 1 1 A 92 92 ARG HA H 92 4.530 4.383 0.147 1
1 768 . 4 1 1 A 92 92 ARG N N 92 125.836 126.500 -0.664 1
1 769 . 4 1 1 A 93 93 SER H H 93 7.875 7.739 0.136 1
1 770 . 4 1 1 A 93 93 SER HA H 93 4.707 5.032 -0.325 1
1 773 . 4 1 1 A 93 93 SER N N 93 114.996 112.619 2.377 1
1 774 . 4 1 1 A 94 94 ILE H H 94 7.943 8.753 -0.810 1
1 775 . 4 1 1 A 94 94 ILE HA H 94 4.694 4.981 -0.287 1
1 785 . 4 1 1 A 94 94 ILE N N 94 123.668 124.686 -1.018 1
1 786 . 4 1 1 A 95 95 ASP H H 95 8.975 9.233 -0.258 1
1 787 . 4 1 1 A 95 95 ASP HA H 95 4.995 5.343 -0.348 1
1 790 . 4 1 1 A 95 95 ASP N N 95 128.002 126.182 1.820 1
1 791 . 4 1 1 A 96 96 ILE H H 96 8.672 8.653 0.019 1
1 792 . 4 1 1 A 96 96 ILE HA H 96 4.669 4.939 -0.270 1
1 802 . 4 1 1 A 96 96 ILE N N 96 118.150 120.876 -2.726 1
1 803 . 4 1 1 A 97 97 GLU H H 97 8.990 8.963 0.027 1
1 804 . 4 1 1 A 97 97 GLU HA H 97 4.604 4.936 -0.332 1
1 809 . 4 1 1 A 97 97 GLU N N 97 128.072 127.070 1.002 1
1 810 . 4 1 1 A 98 98 TYR H H 98 8.544 8.649 -0.105 1
1 811 . 4 1 1 A 98 98 TYR HA H 98 5.662 5.539 0.123 1
1 818 . 4 1 1 A 98 98 TYR N N 98 118.130 117.800 0.330 1
1 819 . 4 1 1 A 99 99 TYR H H 99 9.389 8.953 0.436 1
1 820 . 4 1 1 A 99 99 TYR HA H 99 5.258 5.850 -0.592 1
1 827 . 4 1 1 A 99 99 TYR N N 99 121.021 120.469 0.552 1
1 828 . 4 1 1 A 100 100 GLU H H 100 8.942 8.643 0.299 1
1 829 . 4 1 1 A 100 100 GLU HA H 100 3.495 4.088 -0.593 1
1 834 . 4 1 1 A 100 100 GLU N N 100 122.954 121.957 0.997 1
1 835 . 4 1 1 A 101 101 CYS H H 101 7.742 8.747 -1.005 1
1 836 . 4 1 1 A 101 101 CYS HA H 101 3.342 4.241 -0.899 1
1 839 . 4 1 1 A 101 101 CYS N N 101 125.649 123.652 1.997 1
1 840 . 4 1 1 A 102 102 PRO HA H 102 4.415 4.710 -0.295 1
1 847 . 4 1 1 A 103 103 VAL H H 103 8.493 7.484 1.009 1
1 848 . 4 1 1 A 103 103 VAL HA H 103 3.990 3.880 0.110 1
1 856 . 4 1 1 A 103 103 VAL N N 103 121.026 116.879 4.147 1
1 857 . 4 1 1 A 104 104 LYS H H 104 7.585 7.907 -0.322 1
1 858 . 4 1 1 A 104 104 LYS HA H 104 3.972 4.275 -0.303 1
1 867 . 4 1 1 A 104 104 LYS N N 104 122.941 118.881 4.060 1
1 868 . 4 1 1 A 105 105 ARG H H 105 7.848 7.299 0.549 1
1 869 . 4 1 1 A 105 105 ARG HA H 105 4.276 4.737 -0.461 1
1 876 . 4 1 1 A 105 105 ARG N N 105 121.986 119.425 2.561 1
1 6 . 5 1 1 A 2 2 GLU HA H 2 4.671 4.745 -0.074 1
1 11 . 5 1 1 A 3 3 PRO HA H 3 4.473 4.698 -0.225 1
1 18 . 5 1 1 A 4 4 ILE H H 4 8.270 8.331 -0.061 1
1 19 . 5 1 1 A 4 4 ILE HA H 4 4.156 4.693 -0.537 1
1 29 . 5 1 1 A 4 4 ILE N N 4 121.501 124.683 -3.182 1
1 30 . 5 1 1 A 5 5 GLY H H 5 8.516 8.308 0.208 1
1 31 . 5 1 1 A 5 5 GLY HA2 H 5 3.952 4.194 -0.242 1
1 32 . 5 1 1 A 5 5 GLY HA3 H 5 3.992 4.194 -0.202 1
1 33 . 5 1 1 A 5 5 GLY N N 5 112.831 114.215 -1.384 1
1 34 . 5 1 1 A 6 6 ARG H H 6 8.197 8.570 -0.373 1
1 35 . 5 1 1 A 6 6 ARG HA H 6 4.383 5.005 -0.622 1
1 42 . 5 1 1 A 6 6 ARG N N 6 121.014 122.611 -1.597 1
1 43 . 5 1 1 A 7 7 SER H H 7 8.400 8.760 -0.360 1
1 44 . 5 1 1 A 7 7 SER HA H 7 4.472 5.186 -0.714 1
1 47 . 5 1 1 A 7 7 SER N N 7 116.921 121.486 -4.565 1
1 48 . 5 1 1 A 8 8 LEU H H 8 8.376 8.744 -0.368 1
1 49 . 5 1 1 A 8 8 LEU HA H 8 4.390 4.132 0.258 1
1 59 . 5 1 1 A 8 8 LEU N N 8 124.394 128.768 -4.374 1
1 60 . 5 1 1 A 9 9 GLN H H 9 8.292 7.267 1.025 1
1 61 . 5 1 1 A 9 9 GLN HA H 9 4.323 4.575 -0.252 1
1 68 . 5 1 1 A 9 9 GLN N N 9 120.593 117.159 3.434 1
1 70 . 5 1 1 A 10 10 GLY H H 10 8.417 8.120 0.297 1
1 71 . 5 1 1 A 10 10 GLY HA2 H 10 3.992 3.866 0.126 1
1 72 . 5 1 1 A 10 10 GLY HA3 H 10 3.992 3.866 0.126 1
1 73 . 5 1 1 A 10 10 GLY N N 10 110.179 108.911 1.268 1
1 74 . 5 1 1 A 11 11 VAL H H 11 8.040 8.586 -0.546 1
1 75 . 5 1 1 A 11 11 VAL HA H 11 4.208 4.373 -0.165 1
1 83 . 5 1 1 A 11 11 VAL N N 11 119.334 123.005 -3.671 1
1 84 . 5 1 1 A 12 12 THR H H 12 8.210 8.674 -0.464 1
1 85 . 5 1 1 A 12 12 THR HA H 12 4.285 4.320 -0.035 1
1 90 . 5 1 1 A 12 12 THR N N 12 117.160 123.920 -6.760 1
1 91 . 5 1 1 A 13 13 GLY H H 13 8.388 8.223 0.165 1
1 92 . 5 1 1 A 13 13 GLY HA2 H 13 3.988 4.072 -0.084 1
1 93 . 5 1 1 A 13 13 GLY HA3 H 13 4.027 4.072 -0.045 1
1 94 . 5 1 1 A 13 13 GLY N N 13 111.151 116.400 -5.249 1
1 95 . 5 1 1 A 14 14 ARG H H 14 8.169 8.327 -0.158 1
1 96 . 5 1 1 A 14 14 ARG HA H 14 4.668 4.978 -0.310 1
1 103 . 5 1 1 A 14 14 ARG N N 14 121.499 118.937 2.562 1
1 104 . 5 1 1 A 15 15 PRO HA H 15 4.426 4.611 -0.185 1
1 111 . 5 1 1 A 16 16 ASP H H 16 8.475 9.090 -0.615 1
1 112 . 5 1 1 A 16 16 ASP HA H 16 4.556 4.362 0.194 1
1 115 . 5 1 1 A 16 16 ASP N N 16 119.586 124.019 -4.433 1
1 116 . 5 1 1 A 17 17 PHE H H 17 8.179 8.412 -0.233 1
1 117 . 5 1 1 A 17 17 PHE HA H 17 4.366 4.094 0.272 1
1 125 . 5 1 1 A 17 17 PHE N N 17 121.747 120.267 1.480 1
1 126 . 5 1 1 A 18 18 GLN H H 18 8.200 8.137 0.063 1
1 127 . 5 1 1 A 18 18 GLN HA H 18 3.998 3.975 0.023 1
1 134 . 5 1 1 A 18 18 GLN N N 18 119.816 117.617 2.199 1
1 136 . 5 1 1 A 19 19 LYS H H 19 7.986 7.651 0.335 1
1 137 . 5 1 1 A 19 19 LYS HA H 19 4.126 4.117 0.009 1
1 146 . 5 1 1 A 19 19 LYS N N 19 120.081 119.341 0.740 1
1 147 . 5 1 1 A 20 20 ARG H H 20 7.918 8.601 -0.683 1
1 148 . 5 1 1 A 20 20 ARG HA H 20 4.125 4.016 0.109 1
1 155 . 5 1 1 A 20 20 ARG N N 20 118.851 118.657 0.194 1
1 156 . 5 1 1 A 21 21 LEU H H 21 7.954 7.769 0.185 1
1 157 . 5 1 1 A 21 21 LEU HA H 21 4.127 3.827 0.300 1
1 167 . 5 1 1 A 21 21 LEU N N 21 121.258 122.593 -1.335 1
1 168 . 5 1 1 A 22 22 GLU H H 22 8.169 8.630 -0.461 1
1 169 . 5 1 1 A 22 22 GLU HA H 22 3.981 3.959 0.022 1
1 174 . 5 1 1 A 22 22 GLU N N 22 119.093 117.478 1.615 1
1 175 . 5 1 1 A 23 23 GLN H H 23 8.015 8.043 -0.028 1
1 176 . 5 1 1 A 23 23 GLN HA H 23 4.174 4.031 0.143 1
1 183 . 5 1 1 A 23 23 GLN N N 23 119.335 119.745 -0.410 1
1 185 . 5 1 1 A 24 24 MET H H 24 8.209 8.474 -0.265 1
1 186 . 5 1 1 A 24 24 MET HA H 24 4.005 3.897 0.108 1
1 194 . 5 1 1 A 24 24 MET N N 24 119.750 118.517 1.233 1
1 195 . 5 1 1 A 25 25 LYS H H 25 8.387 7.844 0.543 1
1 196 . 5 1 1 A 25 25 LYS HA H 25 3.797 3.903 -0.106 1
1 205 . 5 1 1 A 25 25 LYS N N 25 119.097 120.353 -1.256 1
1 206 . 5 1 1 A 26 26 GLU H H 26 7.936 8.272 -0.336 1
1 207 . 5 1 1 A 26 26 GLU HA H 26 3.989 3.988 0.001 1
1 212 . 5 1 1 A 26 26 GLU N N 26 117.895 118.730 -0.835 1
1 213 . 5 1 1 A 27 27 LYS H H 27 7.608 8.067 -0.459 1
1 214 . 5 1 1 A 27 27 LYS HA H 27 4.027 4.049 -0.022 1
1 223 . 5 1 1 A 27 27 LYS N N 27 117.438 118.540 -1.102 1
1 224 . 5 1 1 A 28 28 VAL H H 28 8.285 8.559 -0.274 1
1 225 . 5 1 1 A 28 28 VAL HA H 28 3.813 3.695 0.118 1
1 233 . 5 1 1 A 28 28 VAL N N 28 118.134 119.612 -1.478 1
1 234 . 5 1 1 A 29 29 MET H H 29 8.030 7.871 0.159 1
1 235 . 5 1 1 A 29 29 MET HA H 29 4.422 4.415 0.007 1
1 243 . 5 1 1 A 29 29 MET N N 29 112.840 117.657 -4.817 1
1 244 . 5 1 1 A 30 30 LYS H H 30 7.320 7.691 -0.371 1
1 245 . 5 1 1 A 30 30 LYS HA H 30 4.304 4.397 -0.093 1
1 254 . 5 1 1 A 30 30 LYS N N 30 116.038 116.803 -0.765 1
1 255 . 5 1 1 A 31 31 ASP H H 31 7.495 7.458 0.037 1
1 256 . 5 1 1 A 31 31 ASP HA H 31 4.594 4.757 -0.163 1
1 259 . 5 1 1 A 31 31 ASP N N 31 122.944 121.821 1.123 1
1 260 . 5 1 1 A 32 32 GLN H H 32 9.076 8.816 0.260 1
1 261 . 5 1 1 A 32 32 GLN HA H 32 4.029 3.965 0.064 1
1 268 . 5 1 1 A 32 32 GLN N N 32 126.326 125.519 0.807 1
1 270 . 5 1 1 A 33 33 ASP H H 33 8.456 7.970 0.486 1
1 271 . 5 1 1 A 33 33 ASP HA H 33 4.671 4.565 0.106 1
1 274 . 5 1 1 A 33 33 ASP N N 33 122.586 120.315 2.271 1
1 275 . 5 1 1 A 34 34 VAL H H 34 9.317 8.594 0.723 1
1 276 . 5 1 1 A 34 34 VAL HA H 34 3.521 3.598 -0.077 1
1 284 . 5 1 1 A 34 34 VAL N N 34 124.689 120.809 3.880 1
1 285 . 5 1 1 A 35 35 GLN H H 35 8.633 8.419 0.214 1
1 286 . 5 1 1 A 35 35 GLN HA H 35 3.901 4.072 -0.171 1
1 293 . 5 1 1 A 35 35 GLN N N 35 117.209 119.846 -2.637 1
1 295 . 5 1 1 A 36 36 ALA H H 36 7.935 7.882 0.053 1
1 296 . 5 1 1 A 36 36 ALA HA H 36 4.211 4.126 0.085 1
1 300 . 5 1 1 A 36 36 ALA N N 36 121.503 122.717 -1.214 1
1 301 . 5 1 1 A 37 37 PHE H H 37 7.862 8.234 -0.372 1
1 302 . 5 1 1 A 37 37 PHE HA H 37 4.357 4.385 -0.028 1
1 310 . 5 1 1 A 37 37 PHE N N 37 121.040 119.849 1.191 1
1 311 . 5 1 1 A 38 38 LEU H H 38 8.848 8.641 0.207 1
1 312 . 5 1 1 A 38 38 LEU HA H 38 3.581 3.671 -0.090 1
1 322 . 5 1 1 A 38 38 LEU N N 38 120.561 119.539 1.022 1
1 323 . 5 1 1 A 39 39 LYS H H 39 7.885 7.838 0.047 1
1 324 . 5 1 1 A 39 39 LYS HA H 39 4.142 4.048 0.094 1
1 333 . 5 1 1 A 39 39 LYS N N 39 118.613 119.025 -0.412 1
1 334 . 5 1 1 A 40 40 GLU H H 40 8.134 7.849 0.285 1
1 335 . 5 1 1 A 40 40 GLU HA H 40 4.054 4.059 -0.005 1
1 340 . 5 1 1 A 40 40 GLU N N 40 119.387 119.800 -0.413 1
1 341 . 5 1 1 A 41 41 ASN H H 41 7.089 7.399 -0.310 1
1 342 . 5 1 1 A 41 41 ASN HA H 41 4.933 5.004 -0.071 1
1 347 . 5 1 1 A 41 41 ASN N N 41 114.032 115.687 -1.655 1
1 349 . 5 1 1 A 42 42 GLU H H 42 7.086 8.162 -1.076 1
1 350 . 5 1 1 A 42 42 GLU HA H 42 3.957 3.956 0.001 1
1 355 . 5 1 1 A 42 42 GLU N N 42 121.023 119.312 1.711 1
1 356 . 5 1 1 A 43 43 GLU H H 43 8.648 7.764 0.884 1
1 357 . 5 1 1 A 43 43 GLU HA H 43 4.207 4.090 0.117 1
1 362 . 5 1 1 A 43 43 GLU N N 43 115.965 120.182 -4.217 1
1 363 . 5 1 1 A 44 44 VAL H H 44 7.526 7.350 0.176 1
1 364 . 5 1 1 A 44 44 VAL HA H 44 4.445 4.057 0.388 1
1 372 . 5 1 1 A 44 44 VAL N N 44 110.987 117.517 -6.530 1
1 373 . 5 1 1 A 45 45 ILE H H 45 7.246 7.889 -0.643 1
1 374 . 5 1 1 A 45 45 ILE HA H 45 4.531 3.968 0.563 1
1 384 . 5 1 1 A 45 45 ILE N N 45 119.815 120.445 -0.630 1
1 385 . 5 1 1 A 46 46 ASP H H 46 7.351 8.982 -1.631 1
1 386 . 5 1 1 A 46 46 ASP HA H 46 4.958 4.768 0.190 1
1 389 . 5 1 1 A 46 46 ASP N N 46 124.659 125.786 -1.127 1
1 390 . 5 1 1 A 47 47 GLN H H 47 8.504 8.859 -0.355 1
1 391 . 5 1 1 A 47 47 GLN HA H 47 3.949 3.942 0.007 1
1 398 . 5 1 1 A 47 47 GLN N N 47 117.654 121.718 -4.064 1
1 400 . 5 1 1 A 48 48 LYS H H 48 8.030 7.760 0.270 1
1 401 . 5 1 1 A 48 48 LYS HA H 48 4.132 4.053 0.079 1
1 410 . 5 1 1 A 48 48 LYS N N 48 119.335 119.916 -0.581 1
1 411 . 5 1 1 A 49 49 MET H H 49 8.250 8.298 -0.048 1
1 412 . 5 1 1 A 49 49 MET HA H 49 4.132 4.159 -0.027 1
1 420 . 5 1 1 A 49 49 MET N N 49 120.061 118.660 1.401 1
1 421 . 5 1 1 A 50 50 ILE H H 50 7.726 7.848 -0.122 1
1 422 . 5 1 1 A 50 50 ILE HA H 50 3.379 3.625 -0.246 1
1 432 . 5 1 1 A 50 50 ILE N N 50 120.912 119.864 1.048 1
1 433 . 5 1 1 A 51 51 GLU H H 51 8.044 8.073 -0.029 1
1 434 . 5 1 1 A 51 51 GLU HA H 51 3.906 3.947 -0.041 1
1 439 . 5 1 1 A 51 51 GLU N N 51 117.413 119.346 -1.933 1
1 440 . 5 1 1 A 52 52 LYS H H 52 8.249 7.702 0.547 1
1 441 . 5 1 1 A 52 52 LYS HA H 52 4.318 4.111 0.207 1
1 450 . 5 1 1 A 52 52 LYS N N 52 117.183 119.720 -2.537 1
1 451 . 5 1 1 A 53 53 SER H H 53 7.664 7.651 0.013 1
1 452 . 5 1 1 A 53 53 SER HA H 53 5.067 4.833 0.234 1
1 455 . 5 1 1 A 53 53 SER N N 53 113.070 113.774 -0.704 1
1 456 . 5 1 1 A 54 54 LEU H H 54 7.375 7.689 -0.314 1
1 457 . 5 1 1 A 54 54 LEU HA H 54 3.980 3.981 -0.001 1
1 467 . 5 1 1 A 54 54 LEU N N 54 123.828 123.084 0.744 1
1 468 . 5 1 1 A 55 55 ASN H H 55 8.705 8.752 -0.047 1
1 469 . 5 1 1 A 55 55 ASN HA H 55 4.434 4.443 -0.009 1
1 474 . 5 1 1 A 55 55 ASN N N 55 114.672 115.480 -0.808 1
1 476 . 5 1 1 A 56 56 LYS H H 56 7.685 7.587 0.098 1
1 477 . 5 1 1 A 56 56 LYS HA H 56 4.289 4.082 0.207 1
1 486 . 5 1 1 A 56 56 LYS N N 56 121.417 119.693 1.724 1
1 487 . 5 1 1 A 57 57 LEU H H 57 8.120 8.286 -0.166 1
1 488 . 5 1 1 A 57 57 LEU HA H 57 3.948 3.990 -0.042 1
1 498 . 5 1 1 A 57 57 LEU N N 57 118.616 119.500 -0.884 1
1 499 . 5 1 1 A 58 58 TYR H H 58 8.659 8.702 -0.043 1
1 500 . 5 1 1 A 58 58 TYR HA H 58 4.124 4.059 0.065 1
1 507 . 5 1 1 A 58 58 TYR N N 58 119.812 119.308 0.504 1
1 508 . 5 1 1 A 59 59 GLU H H 59 7.999 8.520 -0.521 1
1 509 . 5 1 1 A 59 59 GLU HA H 59 3.945 3.950 -0.005 1
1 514 . 5 1 1 A 59 59 GLU N N 59 118.851 119.352 -0.501 1
1 515 . 5 1 1 A 60 60 TYR H H 60 8.132 8.512 -0.380 1
1 516 . 5 1 1 A 60 60 TYR HA H 60 4.056 4.047 0.009 1
1 523 . 5 1 1 A 60 60 TYR N N 60 118.616 120.563 -1.947 1
1 524 . 5 1 1 A 61 61 ILE H H 61 7.985 7.662 0.323 1
1 525 . 5 1 1 A 61 61 ILE HA H 61 3.638 3.600 0.038 1
1 535 . 5 1 1 A 61 61 ILE N N 61 115.242 118.127 -2.885 1
1 536 . 5 1 1 A 62 62 GLU H H 62 7.409 7.878 -0.469 1
1 537 . 5 1 1 A 62 62 GLU HA H 62 4.056 4.123 -0.067 1
1 542 . 5 1 1 A 62 62 GLU N N 62 118.370 120.080 -1.710 1
1 543 . 5 1 1 A 63 63 GLN H H 63 7.320 7.515 -0.195 1
1 544 . 5 1 1 A 63 63 GLN HA H 63 4.583 4.533 0.050 1
1 551 . 5 1 1 A 63 63 GLN N N 63 118.398 117.250 1.148 1
1 553 . 5 1 1 A 64 64 SER H H 64 8.134 8.655 -0.521 1
1 554 . 5 1 1 A 64 64 SER HA H 64 4.122 4.120 0.002 1
1 557 . 5 1 1 A 64 64 SER N N 64 115.490 115.793 -0.303 1
1 558 . 5 1 1 A 65 65 LYS H H 65 8.663 7.966 0.697 1
1 559 . 5 1 1 A 65 65 LYS HA H 65 4.132 3.964 0.168 1
1 562 . 5 1 1 A 65 65 LYS N N 65 122.473 118.971 3.502 1
1 563 . 5 1 1 A 66 66 ASN H H 66 8.010 7.825 0.185 1
1 564 . 5 1 1 A 66 66 ASN HA H 66 3.809 4.741 -0.932 1
1 569 . 5 1 1 A 66 66 ASN N N 66 117.420 114.246 3.174 1
1 571 . 5 1 1 A 67 67 CYS H H 67 7.649 8.115 -0.466 1
1 572 . 5 1 1 A 67 67 CYS HA H 67 5.108 4.698 0.410 1
1 575 . 5 1 1 A 67 67 CYS N N 67 116.684 115.269 1.415 1
1 576 . 5 1 1 A 68 68 SER H H 68 8.891 8.734 0.157 1
1 577 . 5 1 1 A 68 68 SER HA H 68 4.379 4.129 0.250 1
1 580 . 5 1 1 A 68 68 SER N N 68 115.241 117.114 -1.873 1
1 581 . 5 1 1 A 69 69 TYR H H 69 9.864 7.859 2.005 1
1 582 . 5 1 1 A 69 69 TYR HA H 69 4.569 4.190 0.379 1
1 589 . 5 1 1 A 69 69 TYR N N 69 124.277 123.888 0.389 1
1 590 . 5 1 1 A 70 70 CYS H H 70 7.841 8.193 -0.352 1
1 591 . 5 1 1 A 70 70 CYS HA H 70 4.920 4.750 0.170 1
1 594 . 5 1 1 A 70 70 CYS N N 70 115.300 113.854 1.446 1
1 595 . 5 1 1 A 71 71 SER H H 71 8.032 7.865 0.167 1
1 596 . 5 1 1 A 71 71 SER HA H 71 4.673 4.960 -0.287 1
1 599 . 5 1 1 A 71 71 SER N N 71 119.327 116.271 3.056 1
1 600 . 5 1 1 A 72 72 GLU H H 72 8.701 8.871 -0.170 1
1 601 . 5 1 1 A 72 72 GLU HA H 72 4.459 4.231 0.228 1
1 606 . 5 1 1 A 72 72 GLU N N 72 122.947 123.614 -0.667 1
1 607 . 5 1 1 A 73 73 ASP H H 73 8.053 7.587 0.466 1
1 608 . 5 1 1 A 73 73 ASP HA H 73 4.529 4.574 -0.045 1
1 611 . 5 1 1 A 73 73 ASP N N 73 120.929 120.111 0.818 1
1 612 . 5 1 1 A 74 74 GLU H H 74 8.754 8.707 0.047 1
1 613 . 5 1 1 A 74 74 GLU HA H 74 4.251 4.111 0.140 1
1 618 . 5 1 1 A 74 74 GLU N N 74 122.241 123.932 -1.691 1
1 619 . 5 1 1 A 75 75 ASN H H 75 8.564 8.234 0.330 1
1 620 . 5 1 1 A 75 75 ASN HA H 75 4.803 4.752 0.051 1
1 625 . 5 1 1 A 75 75 ASN N N 75 117.681 116.098 1.583 1
1 627 . 5 1 1 A 76 76 CYS H H 76 7.923 8.004 -0.081 1
1 628 . 5 1 1 A 76 76 CYS HA H 76 4.377 4.804 -0.427 1
1 631 . 5 1 1 A 76 76 CYS N N 76 120.055 122.487 -2.432 1
1 632 . 5 1 1 A 77 77 ASN H H 77 8.717 8.853 -0.136 1
1 633 . 5 1 1 A 77 77 ASN HA H 77 4.759 4.965 -0.206 1
1 638 . 5 1 1 A 77 77 ASN N N 77 122.469 121.919 0.550 1
1 640 . 5 1 1 A 78 78 ASN H H 78 8.564 7.619 0.945 1
1 641 . 5 1 1 A 78 78 ASN HA H 78 4.772 5.035 -0.263 1
1 646 . 5 1 1 A 78 78 ASN N N 78 121.986 120.282 1.704 1
1 648 . 5 1 1 A 79 79 LEU H H 79 8.160 8.409 -0.249 1
1 649 . 5 1 1 A 79 79 LEU HA H 79 4.282 4.278 0.004 1
1 659 . 5 1 1 A 79 79 LEU N N 79 122.221 127.496 -5.275 1
1 660 . 5 1 1 A 80 80 LEU H H 80 8.034 7.373 0.661 1
1 661 . 5 1 1 A 80 80 LEU HA H 80 4.391 4.197 0.194 1
1 671 . 5 1 1 A 80 80 LEU N N 80 121.024 119.161 1.863 1
1 672 . 5 1 1 A 81 81 GLU H H 81 8.105 8.724 -0.619 1
1 673 . 5 1 1 A 81 81 GLU HA H 81 4.298 3.990 0.308 1
1 678 . 5 1 1 A 81 81 GLU N N 81 122.466 125.464 -2.998 1
1 679 . 5 1 1 A 82 82 GLY H H 82 8.274 8.946 -0.672 1
1 680 . 5 1 1 A 82 82 GLY HA2 H 82 3.852 4.088 -0.236 1
1 681 . 5 1 1 A 82 82 GLY HA3 H 82 3.988 4.134 -0.146 1
1 682 . 5 1 1 A 82 82 GLY N N 82 112.347 114.671 -2.324 1
1 683 . 5 1 1 A 83 83 TYR H H 83 7.850 8.136 -0.286 1
1 684 . 5 1 1 A 83 83 TYR HA H 83 5.113 5.178 -0.065 1
1 691 . 5 1 1 A 83 83 TYR N N 83 118.873 119.542 -0.669 1
1 692 . 5 1 1 A 84 84 HIS H H 84 9.473 9.349 0.124 1
1 693 . 5 1 1 A 84 84 HIS HA H 84 5.117 4.824 0.293 1
1 698 . 5 1 1 A 84 84 HIS N N 84 120.297 118.162 2.135 1
1 699 . 5 1 1 A 85 85 PRO HA H 85 4.678 4.299 0.379 1
1 706 . 5 1 1 A 86 86 LYS H H 86 9.027 9.349 -0.322 1
1 707 . 5 1 1 A 86 86 LYS HA H 86 4.709 4.828 -0.119 1
1 716 . 5 1 1 A 86 86 LYS N N 86 119.573 121.452 -1.879 1
1 717 . 5 1 1 A 87 87 LEU H H 87 7.785 7.925 -0.140 1
1 718 . 5 1 1 A 87 87 LEU HA H 87 4.414 3.986 0.428 1
1 727 . 5 1 1 A 87 87 LEU N N 87 123.673 126.264 -2.591 1
1 728 . 5 1 1 A 88 88 VAL H H 88 8.443 8.785 -0.342 1
1 729 . 5 1 1 A 88 88 VAL HA H 88 4.616 5.047 -0.431 1
1 737 . 5 1 1 A 88 88 VAL N N 88 115.720 118.575 -2.855 1
1 738 . 5 1 1 A 89 89 VAL H H 89 8.621 9.216 -0.595 1
1 739 . 5 1 1 A 89 89 VAL HA H 89 4.471 4.871 -0.400 1
1 747 . 5 1 1 A 89 89 VAL N N 89 122.477 124.032 -1.555 1
1 748 . 5 1 1 A 90 90 ASN H H 90 8.721 9.057 -0.336 1
1 749 . 5 1 1 A 90 90 ASN HA H 90 5.020 5.128 -0.108 1
1 754 . 5 1 1 A 90 90 ASN N N 90 127.524 127.588 -0.064 1
1 756 . 5 1 1 A 91 91 GLY H H 91 9.006 8.887 0.119 1
1 757 . 5 1 1 A 91 91 GLY HA2 H 91 3.639 3.875 -0.236 1
1 758 . 5 1 1 A 91 91 GLY HA3 H 91 3.993 3.875 0.118 1
1 759 . 5 1 1 A 91 91 GLY N N 91 115.517 115.772 -0.255 1
1 760 . 5 1 1 A 92 92 ARG H H 92 8.675 8.617 0.058 1
1 761 . 5 1 1 A 92 92 ARG HA H 92 4.530 4.427 0.103 1
1 768 . 5 1 1 A 92 92 ARG N N 92 125.836 126.542 -0.706 1
1 769 . 5 1 1 A 93 93 SER H H 93 7.875 7.502 0.373 1
1 770 . 5 1 1 A 93 93 SER HA H 93 4.707 5.079 -0.372 1
1 773 . 5 1 1 A 93 93 SER N N 93 114.996 112.530 2.466 1
1 774 . 5 1 1 A 94 94 ILE H H 94 7.943 8.907 -0.964 1
1 775 . 5 1 1 A 94 94 ILE HA H 94 4.694 4.856 -0.162 1
1 785 . 5 1 1 A 94 94 ILE N N 94 123.668 124.220 -0.552 1
1 786 . 5 1 1 A 95 95 ASP H H 95 8.975 9.618 -0.643 1
1 787 . 5 1 1 A 95 95 ASP HA H 95 4.995 5.159 -0.164 1
1 790 . 5 1 1 A 95 95 ASP N N 95 128.002 127.112 0.890 1
1 791 . 5 1 1 A 96 96 ILE H H 96 8.672 8.725 -0.053 1
1 792 . 5 1 1 A 96 96 ILE HA H 96 4.669 4.606 0.063 1
1 802 . 5 1 1 A 96 96 ILE N N 96 118.150 120.054 -1.904 1
1 803 . 5 1 1 A 97 97 GLU H H 97 8.990 8.598 0.392 1
1 804 . 5 1 1 A 97 97 GLU HA H 97 4.604 5.008 -0.404 1
1 809 . 5 1 1 A 97 97 GLU N N 97 128.072 127.223 0.849 1
1 810 . 5 1 1 A 98 98 TYR H H 98 8.544 8.689 -0.145 1
1 811 . 5 1 1 A 98 98 TYR HA H 98 5.662 5.622 0.040 1
1 818 . 5 1 1 A 98 98 TYR N N 98 118.130 117.837 0.293 1
1 819 . 5 1 1 A 99 99 TYR H H 99 9.389 9.030 0.359 1
1 820 . 5 1 1 A 99 99 TYR HA H 99 5.258 5.937 -0.679 1
1 827 . 5 1 1 A 99 99 TYR N N 99 121.021 119.959 1.062 1
1 828 . 5 1 1 A 100 100 GLU H H 100 8.942 8.485 0.457 1
1 829 . 5 1 1 A 100 100 GLU HA H 100 3.495 3.539 -0.044 1
1 834 . 5 1 1 A 100 100 GLU N N 100 122.954 119.813 3.141 1
1 835 . 5 1 1 A 101 101 CYS H H 101 7.742 8.718 -0.976 1
1 836 . 5 1 1 A 101 101 CYS HA H 101 3.342 4.356 -1.014 1
1 839 . 5 1 1 A 101 101 CYS N N 101 125.649 122.548 3.101 1
1 840 . 5 1 1 A 102 102 PRO HA H 102 4.415 4.319 0.096 1
1 847 . 5 1 1 A 103 103 VAL H H 103 8.493 7.293 1.200 1
1 848 . 5 1 1 A 103 103 VAL HA H 103 3.990 3.746 0.244 1
1 856 . 5 1 1 A 103 103 VAL N N 103 121.026 116.311 4.715 1
1 857 . 5 1 1 A 104 104 LYS H H 104 7.585 8.340 -0.755 1
1 858 . 5 1 1 A 104 104 LYS HA H 104 3.972 4.329 -0.357 1
1 867 . 5 1 1 A 104 104 LYS N N 104 122.941 120.856 2.085 1
1 868 . 5 1 1 A 105 105 ARG H H 105 7.848 7.470 0.378 1
1 869 . 5 1 1 A 105 105 ARG HA H 105 4.276 4.423 -0.147 1
1 876 . 5 1 1 A 105 105 ARG N N 105 121.986 120.220 1.766 1
1 6 . 6 1 1 A 2 2 GLU HA H 2 4.671 4.769 -0.098 1
1 11 . 6 1 1 A 3 3 PRO HA H 3 4.473 4.405 0.068 1
1 18 . 6 1 1 A 4 4 ILE H H 4 8.270 8.536 -0.266 1
1 19 . 6 1 1 A 4 4 ILE HA H 4 4.156 4.305 -0.149 1
1 29 . 6 1 1 A 4 4 ILE N N 4 121.501 122.603 -1.102 1
1 30 . 6 1 1 A 5 5 GLY H H 5 8.516 8.399 0.117 1
1 31 . 6 1 1 A 5 5 GLY HA2 H 5 3.952 4.137 -0.185 1
1 32 . 6 1 1 A 5 5 GLY HA3 H 5 3.992 4.137 -0.145 1
1 33 . 6 1 1 A 5 5 GLY N N 5 112.831 115.471 -2.640 1
1 34 . 6 1 1 A 6 6 ARG H H 6 8.197 7.784 0.413 1
1 35 . 6 1 1 A 6 6 ARG HA H 6 4.383 4.344 0.039 1
1 42 . 6 1 1 A 6 6 ARG N N 6 121.014 119.808 1.206 1
1 43 . 6 1 1 A 7 7 SER H H 7 8.400 8.372 0.028 1
1 44 . 6 1 1 A 7 7 SER HA H 7 4.472 4.793 -0.321 1
1 47 . 6 1 1 A 7 7 SER N N 7 116.921 122.110 -5.189 1
1 48 . 6 1 1 A 8 8 LEU H H 8 8.376 8.824 -0.448 1
1 49 . 6 1 1 A 8 8 LEU HA H 8 4.390 4.153 0.237 1
1 59 . 6 1 1 A 8 8 LEU N N 8 124.394 129.737 -5.343 1
1 60 . 6 1 1 A 9 9 GLN H H 9 8.292 7.857 0.435 1
1 61 . 6 1 1 A 9 9 GLN HA H 9 4.323 4.466 -0.143 1
1 68 . 6 1 1 A 9 9 GLN N N 9 120.593 112.807 7.786 1
1 70 . 6 1 1 A 10 10 GLY H H 10 8.417 7.211 1.206 1
1 71 . 6 1 1 A 10 10 GLY HA2 H 10 3.992 4.049 -0.057 1
1 72 . 6 1 1 A 10 10 GLY HA3 H 10 3.992 4.049 -0.057 1
1 73 . 6 1 1 A 10 10 GLY N N 10 110.179 109.575 0.604 1
1 74 . 6 1 1 A 11 11 VAL H H 11 8.040 8.241 -0.201 1
1 75 . 6 1 1 A 11 11 VAL HA H 11 4.208 4.629 -0.421 1
1 83 . 6 1 1 A 11 11 VAL N N 11 119.334 117.408 1.926 1
1 84 . 6 1 1 A 12 12 THR H H 12 8.210 8.905 -0.695 1
1 85 . 6 1 1 A 12 12 THR HA H 12 4.285 4.257 0.028 1
1 90 . 6 1 1 A 12 12 THR N N 12 117.160 121.186 -4.026 1
1 91 . 6 1 1 A 13 13 GLY H H 13 8.388 7.441 0.947 1
1 92 . 6 1 1 A 13 13 GLY HA2 H 13 3.988 4.066 -0.078 1
1 93 . 6 1 1 A 13 13 GLY HA3 H 13 4.027 4.067 -0.040 1
1 94 . 6 1 1 A 13 13 GLY N N 13 111.151 107.256 3.895 1
1 95 . 6 1 1 A 14 14 ARG H H 14 8.169 8.536 -0.367 1
1 96 . 6 1 1 A 14 14 ARG HA H 14 4.668 5.013 -0.345 1
1 103 . 6 1 1 A 14 14 ARG N N 14 121.499 116.661 4.838 1
1 104 . 6 1 1 A 15 15 PRO HA H 15 4.426 4.537 -0.111 1
1 111 . 6 1 1 A 16 16 ASP H H 16 8.475 8.738 -0.263 1
1 112 . 6 1 1 A 16 16 ASP HA H 16 4.556 4.363 0.193 1
1 115 . 6 1 1 A 16 16 ASP N N 16 119.586 122.763 -3.177 1
1 116 . 6 1 1 A 17 17 PHE H H 17 8.179 8.309 -0.130 1
1 117 . 6 1 1 A 17 17 PHE HA H 17 4.366 4.097 0.269 1
1 125 . 6 1 1 A 17 17 PHE N N 17 121.747 122.519 -0.772 1
1 126 . 6 1 1 A 18 18 GLN H H 18 8.200 8.061 0.139 1
1 127 . 6 1 1 A 18 18 GLN HA H 18 3.998 3.901 0.097 1
1 134 . 6 1 1 A 18 18 GLN N N 18 119.816 117.600 2.216 1
1 136 . 6 1 1 A 19 19 LYS H H 19 7.986 7.738 0.248 1
1 137 . 6 1 1 A 19 19 LYS HA H 19 4.126 4.070 0.056 1
1 146 . 6 1 1 A 19 19 LYS N N 19 120.081 119.644 0.437 1
1 147 . 6 1 1 A 20 20 ARG H H 20 7.918 7.957 -0.039 1
1 148 . 6 1 1 A 20 20 ARG HA H 20 4.125 3.976 0.149 1
1 155 . 6 1 1 A 20 20 ARG N N 20 118.851 120.045 -1.194 1
1 156 . 6 1 1 A 21 21 LEU H H 21 7.954 8.121 -0.167 1
1 157 . 6 1 1 A 21 21 LEU HA H 21 4.127 3.782 0.345 1
1 167 . 6 1 1 A 21 21 LEU N N 21 121.258 120.411 0.847 1
1 168 . 6 1 1 A 22 22 GLU H H 22 8.169 8.400 -0.231 1
1 169 . 6 1 1 A 22 22 GLU HA H 22 3.981 3.994 -0.013 1
1 174 . 6 1 1 A 22 22 GLU N N 22 119.093 118.173 0.920 1
1 175 . 6 1 1 A 23 23 GLN H H 23 8.015 7.824 0.191 1
1 176 . 6 1 1 A 23 23 GLN HA H 23 4.174 4.025 0.149 1
1 183 . 6 1 1 A 23 23 GLN N N 23 119.335 120.004 -0.669 1
1 185 . 6 1 1 A 24 24 MET H H 24 8.209 8.335 -0.126 1
1 186 . 6 1 1 A 24 24 MET HA H 24 4.005 3.845 0.160 1
1 194 . 6 1 1 A 24 24 MET N N 24 119.750 118.532 1.218 1
1 195 . 6 1 1 A 25 25 LYS H H 25 8.387 7.885 0.502 1
1 196 . 6 1 1 A 25 25 LYS HA H 25 3.797 3.849 -0.052 1
1 205 . 6 1 1 A 25 25 LYS N N 25 119.097 120.292 -1.195 1
1 206 . 6 1 1 A 26 26 GLU H H 26 7.936 8.346 -0.410 1
1 207 . 6 1 1 A 26 26 GLU HA H 26 3.989 4.055 -0.066 1
1 212 . 6 1 1 A 26 26 GLU N N 26 117.895 118.697 -0.802 1
1 213 . 6 1 1 A 27 27 LYS H H 27 7.608 8.048 -0.440 1
1 214 . 6 1 1 A 27 27 LYS HA H 27 4.027 4.112 -0.085 1
1 223 . 6 1 1 A 27 27 LYS N N 27 117.438 119.205 -1.767 1
1 224 . 6 1 1 A 28 28 VAL H H 28 8.285 7.810 0.475 1
1 225 . 6 1 1 A 28 28 VAL HA H 28 3.813 3.708 0.105 1
1 233 . 6 1 1 A 28 28 VAL N N 28 118.134 119.455 -1.321 1
1 234 . 6 1 1 A 29 29 MET H H 29 8.030 7.807 0.223 1
1 235 . 6 1 1 A 29 29 MET HA H 29 4.422 4.395 0.027 1
1 243 . 6 1 1 A 29 29 MET N N 29 112.840 117.567 -4.727 1
1 244 . 6 1 1 A 30 30 LYS H H 30 7.320 7.437 -0.117 1
1 245 . 6 1 1 A 30 30 LYS HA H 30 4.304 4.391 -0.087 1
1 254 . 6 1 1 A 30 30 LYS N N 30 116.038 116.959 -0.921 1
1 255 . 6 1 1 A 31 31 ASP H H 31 7.495 7.594 -0.099 1
1 256 . 6 1 1 A 31 31 ASP HA H 31 4.594 4.725 -0.131 1
1 259 . 6 1 1 A 31 31 ASP N N 31 122.944 121.735 1.209 1
1 260 . 6 1 1 A 32 32 GLN H H 32 9.076 8.867 0.209 1
1 261 . 6 1 1 A 32 32 GLN HA H 32 4.029 3.989 0.040 1
1 268 . 6 1 1 A 32 32 GLN N N 32 126.326 125.458 0.868 1
1 270 . 6 1 1 A 33 33 ASP H H 33 8.456 7.836 0.620 1
1 271 . 6 1 1 A 33 33 ASP HA H 33 4.671 4.510 0.161 1
1 274 . 6 1 1 A 33 33 ASP N N 33 122.586 119.605 2.981 1
1 275 . 6 1 1 A 34 34 VAL H H 34 9.317 8.685 0.632 1
1 276 . 6 1 1 A 34 34 VAL HA H 34 3.521 3.583 -0.062 1
1 284 . 6 1 1 A 34 34 VAL N N 34 124.689 120.002 4.687 1
1 285 . 6 1 1 A 35 35 GLN H H 35 8.633 8.213 0.420 1
1 286 . 6 1 1 A 35 35 GLN HA H 35 3.901 4.067 -0.166 1
1 293 . 6 1 1 A 35 35 GLN N N 35 117.209 119.777 -2.568 1
1 295 . 6 1 1 A 36 36 ALA H H 36 7.935 7.725 0.210 1
1 296 . 6 1 1 A 36 36 ALA HA H 36 4.211 4.120 0.091 1
1 300 . 6 1 1 A 36 36 ALA N N 36 121.503 122.650 -1.147 1
1 301 . 6 1 1 A 37 37 PHE H H 37 7.862 8.510 -0.648 1
1 302 . 6 1 1 A 37 37 PHE HA H 37 4.357 4.459 -0.102 1
1 310 . 6 1 1 A 37 37 PHE N N 37 121.040 120.048 0.992 1
1 311 . 6 1 1 A 38 38 LEU H H 38 8.848 8.861 -0.013 1
1 312 . 6 1 1 A 38 38 LEU HA H 38 3.581 3.687 -0.106 1
1 322 . 6 1 1 A 38 38 LEU N N 38 120.561 119.540 1.021 1
1 323 . 6 1 1 A 39 39 LYS H H 39 7.885 7.931 -0.046 1
1 324 . 6 1 1 A 39 39 LYS HA H 39 4.142 4.067 0.075 1
1 333 . 6 1 1 A 39 39 LYS N N 39 118.613 118.925 -0.312 1
1 334 . 6 1 1 A 40 40 GLU H H 40 8.134 7.610 0.524 1
1 335 . 6 1 1 A 40 40 GLU HA H 40 4.054 4.040 0.014 1
1 340 . 6 1 1 A 40 40 GLU N N 40 119.387 119.854 -0.467 1
1 341 . 6 1 1 A 41 41 ASN H H 41 7.089 7.601 -0.512 1
1 342 . 6 1 1 A 41 41 ASN HA H 41 4.933 4.921 0.012 1
1 347 . 6 1 1 A 41 41 ASN N N 41 114.032 115.750 -1.718 1
1 349 . 6 1 1 A 42 42 GLU H H 42 7.086 8.239 -1.153 1
1 350 . 6 1 1 A 42 42 GLU HA H 42 3.957 3.993 -0.036 1
1 355 . 6 1 1 A 42 42 GLU N N 42 121.023 119.286 1.737 1
1 356 . 6 1 1 A 43 43 GLU H H 43 8.648 7.698 0.950 1
1 357 . 6 1 1 A 43 43 GLU HA H 43 4.207 4.108 0.099 1
1 362 . 6 1 1 A 43 43 GLU N N 43 115.965 120.415 -4.450 1
1 363 . 6 1 1 A 44 44 VAL H H 44 7.526 7.693 -0.167 1
1 364 . 6 1 1 A 44 44 VAL HA H 44 4.445 4.118 0.327 1
1 372 . 6 1 1 A 44 44 VAL N N 44 110.987 117.150 -6.163 1
1 373 . 6 1 1 A 45 45 ILE H H 45 7.246 7.799 -0.553 1
1 374 . 6 1 1 A 45 45 ILE HA H 45 4.531 4.021 0.510 1
1 384 . 6 1 1 A 45 45 ILE N N 45 119.815 120.648 -0.833 1
1 385 . 6 1 1 A 46 46 ASP H H 46 7.351 8.731 -1.380 1
1 386 . 6 1 1 A 46 46 ASP HA H 46 4.958 4.937 0.021 1
1 389 . 6 1 1 A 46 46 ASP N N 46 124.659 125.959 -1.300 1
1 390 . 6 1 1 A 47 47 GLN H H 47 8.504 8.866 -0.362 1
1 391 . 6 1 1 A 47 47 GLN HA H 47 3.949 3.956 -0.007 1
1 398 . 6 1 1 A 47 47 GLN N N 47 117.654 121.633 -3.979 1
1 400 . 6 1 1 A 48 48 LYS H H 48 8.030 7.769 0.261 1
1 401 . 6 1 1 A 48 48 LYS HA H 48 4.132 4.061 0.071 1
1 410 . 6 1 1 A 48 48 LYS N N 48 119.335 119.880 -0.545 1
1 411 . 6 1 1 A 49 49 MET H H 49 8.250 8.155 0.095 1
1 412 . 6 1 1 A 49 49 MET HA H 49 4.132 4.220 -0.088 1
1 420 . 6 1 1 A 49 49 MET N N 49 120.061 118.758 1.303 1
1 421 . 6 1 1 A 50 50 ILE H H 50 7.726 7.785 -0.059 1
1 422 . 6 1 1 A 50 50 ILE HA H 50 3.379 3.636 -0.257 1
1 432 . 6 1 1 A 50 50 ILE N N 50 120.912 119.845 1.067 1
1 433 . 6 1 1 A 51 51 GLU H H 51 8.044 8.305 -0.261 1
1 434 . 6 1 1 A 51 51 GLU HA H 51 3.906 3.941 -0.035 1
1 439 . 6 1 1 A 51 51 GLU N N 51 117.413 118.803 -1.390 1
1 440 . 6 1 1 A 52 52 LYS H H 52 8.249 7.931 0.318 1
1 441 . 6 1 1 A 52 52 LYS HA H 52 4.318 4.150 0.168 1
1 450 . 6 1 1 A 52 52 LYS N N 52 117.183 119.783 -2.600 1
1 451 . 6 1 1 A 53 53 SER H H 53 7.664 7.879 -0.215 1
1 452 . 6 1 1 A 53 53 SER HA H 53 5.067 4.917 0.150 1
1 455 . 6 1 1 A 53 53 SER N N 53 113.070 111.816 1.254 1
1 456 . 6 1 1 A 54 54 LEU H H 54 7.375 7.759 -0.384 1
1 457 . 6 1 1 A 54 54 LEU HA H 54 3.980 4.048 -0.068 1
1 467 . 6 1 1 A 54 54 LEU N N 54 123.828 123.402 0.426 1
1 468 . 6 1 1 A 55 55 ASN H H 55 8.705 8.646 0.059 1
1 469 . 6 1 1 A 55 55 ASN HA H 55 4.434 4.485 -0.051 1
1 474 . 6 1 1 A 55 55 ASN N N 55 114.672 116.402 -1.730 1
1 476 . 6 1 1 A 56 56 LYS H H 56 7.685 7.877 -0.192 1
1 477 . 6 1 1 A 56 56 LYS HA H 56 4.289 4.135 0.154 1
1 486 . 6 1 1 A 56 56 LYS N N 56 121.417 119.832 1.585 1
1 487 . 6 1 1 A 57 57 LEU H H 57 8.120 8.237 -0.117 1
1 488 . 6 1 1 A 57 57 LEU HA H 57 3.948 4.001 -0.053 1
1 498 . 6 1 1 A 57 57 LEU N N 57 118.616 119.565 -0.949 1
1 499 . 6 1 1 A 58 58 TYR H H 58 8.659 8.755 -0.096 1
1 500 . 6 1 1 A 58 58 TYR HA H 58 4.124 4.073 0.051 1
1 507 . 6 1 1 A 58 58 TYR N N 58 119.812 119.451 0.361 1
1 508 . 6 1 1 A 59 59 GLU H H 59 7.999 8.352 -0.353 1
1 509 . 6 1 1 A 59 59 GLU HA H 59 3.945 3.961 -0.016 1
1 514 . 6 1 1 A 59 59 GLU N N 59 118.851 119.389 -0.538 1
1 515 . 6 1 1 A 60 60 TYR H H 60 8.132 8.498 -0.366 1
1 516 . 6 1 1 A 60 60 TYR HA H 60 4.056 4.115 -0.059 1
1 523 . 6 1 1 A 60 60 TYR N N 60 118.616 120.995 -2.379 1
1 524 . 6 1 1 A 61 61 ILE H H 61 7.985 7.679 0.306 1
1 525 . 6 1 1 A 61 61 ILE HA H 61 3.638 3.506 0.132 1
1 535 . 6 1 1 A 61 61 ILE N N 61 115.242 117.961 -2.719 1
1 536 . 6 1 1 A 62 62 GLU H H 62 7.409 7.402 0.007 1
1 537 . 6 1 1 A 62 62 GLU HA H 62 4.056 4.141 -0.085 1
1 542 . 6 1 1 A 62 62 GLU N N 62 118.370 119.431 -1.061 1
1 543 . 6 1 1 A 63 63 GLN H H 63 7.320 7.233 0.087 1
1 544 . 6 1 1 A 63 63 GLN HA H 63 4.583 4.485 0.098 1
1 551 . 6 1 1 A 63 63 GLN N N 63 118.398 118.770 -0.372 1
1 553 . 6 1 1 A 64 64 SER H H 64 8.134 8.575 -0.441 1
1 554 . 6 1 1 A 64 64 SER HA H 64 4.122 4.472 -0.350 1
1 557 . 6 1 1 A 64 64 SER N N 64 115.490 114.667 0.823 1
1 558 . 6 1 1 A 65 65 LYS H H 65 8.663 8.532 0.131 1
1 559 . 6 1 1 A 65 65 LYS HA H 65 4.132 3.902 0.230 1
1 562 . 6 1 1 A 65 65 LYS N N 65 122.473 125.419 -2.946 1
1 563 . 6 1 1 A 66 66 ASN H H 66 8.010 7.789 0.221 1
1 564 . 6 1 1 A 66 66 ASN HA H 66 3.809 4.449 -0.640 1
1 569 . 6 1 1 A 66 66 ASN N N 66 117.420 115.856 1.564 1
1 571 . 6 1 1 A 67 67 CYS H H 67 7.649 8.261 -0.612 1
1 572 . 6 1 1 A 67 67 CYS HA H 67 5.108 5.023 0.085 1
1 575 . 6 1 1 A 67 67 CYS N N 67 116.684 118.993 -2.309 1
1 576 . 6 1 1 A 68 68 SER H H 68 8.891 9.096 -0.205 1
1 577 . 6 1 1 A 68 68 SER HA H 68 4.379 4.226 0.153 1
1 580 . 6 1 1 A 68 68 SER N N 68 115.241 119.841 -4.600 1
1 581 . 6 1 1 A 69 69 TYR H H 69 9.864 7.906 1.958 1
1 582 . 6 1 1 A 69 69 TYR HA H 69 4.569 4.147 0.422 1
1 589 . 6 1 1 A 69 69 TYR N N 69 124.277 122.592 1.685 1
1 590 . 6 1 1 A 70 70 CYS H H 70 7.841 7.922 -0.081 1
1 591 . 6 1 1 A 70 70 CYS HA H 70 4.920 4.721 0.199 1
1 594 . 6 1 1 A 70 70 CYS N N 70 115.300 113.696 1.604 1
1 595 . 6 1 1 A 71 71 SER H H 71 8.032 7.711 0.321 1
1 596 . 6 1 1 A 71 71 SER HA H 71 4.673 4.841 -0.168 1
1 599 . 6 1 1 A 71 71 SER N N 71 119.327 113.914 5.413 1
1 600 . 6 1 1 A 72 72 GLU H H 72 8.701 8.925 -0.224 1
1 601 . 6 1 1 A 72 72 GLU HA H 72 4.459 4.599 -0.140 1
1 606 . 6 1 1 A 72 72 GLU N N 72 122.947 124.578 -1.631 1
1 607 . 6 1 1 A 73 73 ASP H H 73 8.053 7.645 0.408 1
1 608 . 6 1 1 A 73 73 ASP HA H 73 4.529 4.504 0.025 1
1 611 . 6 1 1 A 73 73 ASP N N 73 120.929 121.433 -0.504 1
1 612 . 6 1 1 A 74 74 GLU H H 74 8.754 8.916 -0.162 1
1 613 . 6 1 1 A 74 74 GLU HA H 74 4.251 4.024 0.227 1
1 618 . 6 1 1 A 74 74 GLU N N 74 122.241 126.389 -4.148 1
1 619 . 6 1 1 A 75 75 ASN H H 75 8.564 8.022 0.542 1
1 620 . 6 1 1 A 75 75 ASN HA H 75 4.803 4.720 0.083 1
1 625 . 6 1 1 A 75 75 ASN N N 75 117.681 114.818 2.863 1
1 627 . 6 1 1 A 76 76 CYS H H 76 7.923 7.757 0.166 1
1 628 . 6 1 1 A 76 76 CYS HA H 76 4.377 4.460 -0.083 1
1 631 . 6 1 1 A 76 76 CYS N N 76 120.055 117.588 2.467 1
1 632 . 6 1 1 A 77 77 ASN H H 77 8.717 7.595 1.122 1
1 633 . 6 1 1 A 77 77 ASN HA H 77 4.759 4.653 0.106 1
1 638 . 6 1 1 A 77 77 ASN N N 77 122.469 121.100 1.369 1
1 640 . 6 1 1 A 78 78 ASN H H 78 8.564 8.462 0.102 1
1 641 . 6 1 1 A 78 78 ASN HA H 78 4.772 4.861 -0.089 1
1 646 . 6 1 1 A 78 78 ASN N N 78 121.986 125.339 -3.353 1
1 648 . 6 1 1 A 79 79 LEU H H 79 8.160 8.685 -0.525 1
1 649 . 6 1 1 A 79 79 LEU HA H 79 4.282 3.996 0.286 1
1 659 . 6 1 1 A 79 79 LEU N N 79 122.221 122.225 -0.004 1
1 660 . 6 1 1 A 80 80 LEU H H 80 8.034 7.710 0.324 1
1 661 . 6 1 1 A 80 80 LEU HA H 80 4.391 4.278 0.113 1
1 671 . 6 1 1 A 80 80 LEU N N 80 121.024 120.603 0.421 1
1 672 . 6 1 1 A 81 81 GLU H H 81 8.105 8.731 -0.626 1
1 673 . 6 1 1 A 81 81 GLU HA H 81 4.298 4.778 -0.480 1
1 678 . 6 1 1 A 81 81 GLU N N 81 122.466 119.461 3.005 1
1 679 . 6 1 1 A 82 82 GLY H H 82 8.274 8.808 -0.534 1
1 680 . 6 1 1 A 82 82 GLY HA2 H 82 3.852 3.666 0.186 1
1 681 . 6 1 1 A 82 82 GLY HA3 H 82 3.988 3.725 0.263 1
1 682 . 6 1 1 A 82 82 GLY N N 82 112.347 112.615 -0.268 1
1 683 . 6 1 1 A 83 83 TYR H H 83 7.850 8.198 -0.348 1
1 684 . 6 1 1 A 83 83 TYR HA H 83 5.113 5.327 -0.214 1
1 691 . 6 1 1 A 83 83 TYR N N 83 118.873 118.390 0.483 1
1 692 . 6 1 1 A 84 84 HIS H H 84 9.473 8.922 0.551 1
1 693 . 6 1 1 A 84 84 HIS HA H 84 5.117 4.733 0.384 1
1 698 . 6 1 1 A 84 84 HIS N N 84 120.297 119.023 1.274 1
1 699 . 6 1 1 A 85 85 PRO HA H 85 4.678 4.254 0.424 1
1 706 . 6 1 1 A 86 86 LYS H H 86 9.027 8.770 0.257 1
1 707 . 6 1 1 A 86 86 LYS HA H 86 4.709 4.966 -0.257 1
1 716 . 6 1 1 A 86 86 LYS N N 86 119.573 116.251 3.322 1
1 717 . 6 1 1 A 87 87 LEU H H 87 7.785 7.923 -0.138 1
1 718 . 6 1 1 A 87 87 LEU HA H 87 4.414 4.585 -0.171 1
1 727 . 6 1 1 A 87 87 LEU N N 87 123.673 121.813 1.860 1
1 728 . 6 1 1 A 88 88 VAL H H 88 8.443 9.102 -0.659 1
1 729 . 6 1 1 A 88 88 VAL HA H 88 4.616 4.991 -0.375 1
1 737 . 6 1 1 A 88 88 VAL N N 88 115.720 117.960 -2.240 1
1 738 . 6 1 1 A 89 89 VAL H H 89 8.621 9.124 -0.503 1
1 739 . 6 1 1 A 89 89 VAL HA H 89 4.471 4.896 -0.425 1
1 747 . 6 1 1 A 89 89 VAL N N 89 122.477 123.909 -1.432 1
1 748 . 6 1 1 A 90 90 ASN H H 90 8.721 9.249 -0.528 1
1 749 . 6 1 1 A 90 90 ASN HA H 90 5.020 5.053 -0.033 1
1 754 . 6 1 1 A 90 90 ASN N N 90 127.524 126.832 0.692 1
1 756 . 6 1 1 A 91 91 GLY H H 91 9.006 8.938 0.068 1
1 757 . 6 1 1 A 91 91 GLY HA2 H 91 3.639 3.874 -0.235 1
1 758 . 6 1 1 A 91 91 GLY HA3 H 91 3.993 3.876 0.117 1
1 759 . 6 1 1 A 91 91 GLY N N 91 115.517 115.745 -0.228 1
1 760 . 6 1 1 A 92 92 ARG H H 92 8.675 8.615 0.060 1
1 761 . 6 1 1 A 92 92 ARG HA H 92 4.530 4.399 0.131 1
1 768 . 6 1 1 A 92 92 ARG N N 92 125.836 126.578 -0.742 1
1 769 . 6 1 1 A 93 93 SER H H 93 7.875 7.717 0.158 1
1 770 . 6 1 1 A 93 93 SER HA H 93 4.707 5.091 -0.384 1
1 773 . 6 1 1 A 93 93 SER N N 93 114.996 112.614 2.382 1
1 774 . 6 1 1 A 94 94 ILE H H 94 7.943 9.248 -1.305 1
1 775 . 6 1 1 A 94 94 ILE HA H 94 4.694 5.095 -0.401 1
1 785 . 6 1 1 A 94 94 ILE N N 94 123.668 124.443 -0.775 1
1 786 . 6 1 1 A 95 95 ASP H H 95 8.975 9.384 -0.409 1
1 787 . 6 1 1 A 95 95 ASP HA H 95 4.995 5.465 -0.470 1
1 790 . 6 1 1 A 95 95 ASP N N 95 128.002 127.252 0.750 1
1 791 . 6 1 1 A 96 96 ILE H H 96 8.672 8.697 -0.025 1
1 792 . 6 1 1 A 96 96 ILE HA H 96 4.669 4.973 -0.304 1
1 802 . 6 1 1 A 96 96 ILE N N 96 118.150 120.909 -2.759 1
1 803 . 6 1 1 A 97 97 GLU H H 97 8.990 8.631 0.359 1
1 804 . 6 1 1 A 97 97 GLU HA H 97 4.604 4.993 -0.389 1
1 809 . 6 1 1 A 97 97 GLU N N 97 128.072 127.047 1.025 1
1 810 . 6 1 1 A 98 98 TYR H H 98 8.544 8.687 -0.143 1
1 811 . 6 1 1 A 98 98 TYR HA H 98 5.662 5.587 0.075 1
1 818 . 6 1 1 A 98 98 TYR N N 98 118.130 117.746 0.384 1
1 819 . 6 1 1 A 99 99 TYR H H 99 9.389 8.990 0.399 1
1 820 . 6 1 1 A 99 99 TYR HA H 99 5.258 5.908 -0.650 1
1 827 . 6 1 1 A 99 99 TYR N N 99 121.021 120.552 0.469 1
1 828 . 6 1 1 A 100 100 GLU H H 100 8.942 8.618 0.324 1
1 829 . 6 1 1 A 100 100 GLU HA H 100 3.495 3.792 -0.297 1
1 834 . 6 1 1 A 100 100 GLU N N 100 122.954 121.762 1.192 1
1 835 . 6 1 1 A 101 101 CYS H H 101 7.742 8.647 -0.905 1
1 836 . 6 1 1 A 101 101 CYS HA H 101 3.342 4.230 -0.888 1
1 839 . 6 1 1 A 101 101 CYS N N 101 125.649 125.500 0.149 1
1 840 . 6 1 1 A 102 102 PRO HA H 102 4.415 4.286 0.129 1
1 847 . 6 1 1 A 103 103 VAL H H 103 8.493 6.842 1.651 1
1 848 . 6 1 1 A 103 103 VAL HA H 103 3.990 4.001 -0.011 1
1 856 . 6 1 1 A 103 103 VAL N N 103 121.026 116.129 4.897 1
1 857 . 6 1 1 A 104 104 LYS H H 104 7.585 8.098 -0.513 1
1 858 . 6 1 1 A 104 104 LYS HA H 104 3.972 3.866 0.106 1
1 867 . 6 1 1 A 104 104 LYS N N 104 122.941 121.339 1.602 1
1 868 . 6 1 1 A 105 105 ARG H H 105 7.848 7.774 0.074 1
1 869 . 6 1 1 A 105 105 ARG HA H 105 4.276 4.575 -0.299 1
1 876 . 6 1 1 A 105 105 ARG N N 105 121.986 117.206 4.780 1
1 6 . 7 1 1 A 2 2 GLU HA H 2 4.671 4.875 -0.204 1
1 11 . 7 1 1 A 3 3 PRO HA H 3 4.473 4.709 -0.236 1
1 18 . 7 1 1 A 4 4 ILE H H 4 8.270 8.449 -0.179 1
1 19 . 7 1 1 A 4 4 ILE HA H 4 4.156 4.013 0.143 1
1 29 . 7 1 1 A 4 4 ILE N N 4 121.501 121.030 0.471 1
1 30 . 7 1 1 A 5 5 GLY H H 5 8.516 7.760 0.756 1
1 31 . 7 1 1 A 5 5 GLY HA2 H 5 3.952 4.069 -0.117 1
1 32 . 7 1 1 A 5 5 GLY HA3 H 5 3.992 4.069 -0.077 1
1 33 . 7 1 1 A 5 5 GLY N N 5 112.831 108.632 4.199 1
1 34 . 7 1 1 A 6 6 ARG H H 6 8.197 8.667 -0.470 1
1 35 . 7 1 1 A 6 6 ARG HA H 6 4.383 4.568 -0.185 1
1 42 . 7 1 1 A 6 6 ARG N N 6 121.014 120.596 0.418 1
1 43 . 7 1 1 A 7 7 SER H H 7 8.400 7.833 0.567 1
1 44 . 7 1 1 A 7 7 SER HA H 7 4.472 4.755 -0.283 1
1 47 . 7 1 1 A 7 7 SER N N 7 116.921 115.619 1.302 1
1 48 . 7 1 1 A 8 8 LEU H H 8 8.376 8.816 -0.440 1
1 49 . 7 1 1 A 8 8 LEU HA H 8 4.390 4.288 0.102 1
1 59 . 7 1 1 A 8 8 LEU N N 8 124.394 129.646 -5.252 1
1 60 . 7 1 1 A 9 9 GLN H H 9 8.292 7.631 0.661 1
1 61 . 7 1 1 A 9 9 GLN HA H 9 4.323 4.772 -0.449 1
1 68 . 7 1 1 A 9 9 GLN N N 9 120.593 112.934 7.659 1
1 70 . 7 1 1 A 10 10 GLY H H 10 8.417 9.162 -0.745 1
1 71 . 7 1 1 A 10 10 GLY HA2 H 10 3.992 4.149 -0.157 1
1 72 . 7 1 1 A 10 10 GLY HA3 H 10 3.992 4.149 -0.157 1
1 73 . 7 1 1 A 10 10 GLY N N 10 110.179 109.212 0.967 1
1 74 . 7 1 1 A 11 11 VAL H H 11 8.040 8.559 -0.519 1
1 75 . 7 1 1 A 11 11 VAL HA H 11 4.208 4.267 -0.059 1
1 83 . 7 1 1 A 11 11 VAL N N 11 119.334 123.669 -4.335 1
1 84 . 7 1 1 A 12 12 THR H H 12 8.210 8.879 -0.669 1
1 85 . 7 1 1 A 12 12 THR HA H 12 4.285 4.682 -0.397 1
1 90 . 7 1 1 A 12 12 THR N N 12 117.160 116.213 0.947 1
1 91 . 7 1 1 A 13 13 GLY H H 13 8.388 7.435 0.953 1
1 92 . 7 1 1 A 13 13 GLY HA2 H 13 3.988 4.112 -0.124 1
1 93 . 7 1 1 A 13 13 GLY HA3 H 13 4.027 4.113 -0.086 1
1 94 . 7 1 1 A 13 13 GLY N N 13 111.151 109.722 1.429 1
1 95 . 7 1 1 A 14 14 ARG H H 14 8.169 8.332 -0.163 1
1 96 . 7 1 1 A 14 14 ARG HA H 14 4.668 4.934 -0.266 1
1 103 . 7 1 1 A 14 14 ARG N N 14 121.499 121.627 -0.128 1
1 104 . 7 1 1 A 15 15 PRO HA H 15 4.426 4.603 -0.177 1
1 111 . 7 1 1 A 16 16 ASP H H 16 8.475 9.044 -0.569 1
1 112 . 7 1 1 A 16 16 ASP HA H 16 4.556 4.331 0.225 1
1 115 . 7 1 1 A 16 16 ASP N N 16 119.586 125.622 -6.036 1
1 116 . 7 1 1 A 17 17 PHE H H 17 8.179 8.333 -0.154 1
1 117 . 7 1 1 A 17 17 PHE HA H 17 4.366 4.066 0.300 1
1 125 . 7 1 1 A 17 17 PHE N N 17 121.747 120.370 1.377 1
1 126 . 7 1 1 A 18 18 GLN H H 18 8.200 8.396 -0.196 1
1 127 . 7 1 1 A 18 18 GLN HA H 18 3.998 3.916 0.082 1
1 134 . 7 1 1 A 18 18 GLN N N 18 119.816 117.552 2.264 1
1 136 . 7 1 1 A 19 19 LYS H H 19 7.986 7.535 0.451 1
1 137 . 7 1 1 A 19 19 LYS HA H 19 4.126 4.038 0.088 1
1 146 . 7 1 1 A 19 19 LYS N N 19 120.081 119.598 0.483 1
1 147 . 7 1 1 A 20 20 ARG H H 20 7.918 7.755 0.163 1
1 148 . 7 1 1 A 20 20 ARG HA H 20 4.125 4.016 0.109 1
1 155 . 7 1 1 A 20 20 ARG N N 20 118.851 120.185 -1.334 1
1 156 . 7 1 1 A 21 21 LEU H H 21 7.954 8.164 -0.210 1
1 157 . 7 1 1 A 21 21 LEU HA H 21 4.127 3.757 0.370 1
1 167 . 7 1 1 A 21 21 LEU N N 21 121.258 120.454 0.804 1
1 168 . 7 1 1 A 22 22 GLU H H 22 8.169 8.242 -0.073 1
1 169 . 7 1 1 A 22 22 GLU HA H 22 3.981 4.008 -0.027 1
1 174 . 7 1 1 A 22 22 GLU N N 22 119.093 118.187 0.906 1
1 175 . 7 1 1 A 23 23 GLN H H 23 8.015 8.332 -0.317 1
1 176 . 7 1 1 A 23 23 GLN HA H 23 4.174 4.054 0.120 1
1 183 . 7 1 1 A 23 23 GLN N N 23 119.335 120.078 -0.743 1
1 185 . 7 1 1 A 24 24 MET H H 24 8.209 8.415 -0.206 1
1 186 . 7 1 1 A 24 24 MET HA H 24 4.005 4.102 -0.097 1
1 194 . 7 1 1 A 24 24 MET N N 24 119.750 118.409 1.341 1
1 195 . 7 1 1 A 25 25 LYS H H 25 8.387 8.011 0.376 1
1 196 . 7 1 1 A 25 25 LYS HA H 25 3.797 3.860 -0.063 1
1 205 . 7 1 1 A 25 25 LYS N N 25 119.097 120.330 -1.233 1
1 206 . 7 1 1 A 26 26 GLU H H 26 7.936 8.458 -0.522 1
1 207 . 7 1 1 A 26 26 GLU HA H 26 3.989 4.085 -0.096 1
1 212 . 7 1 1 A 26 26 GLU N N 26 117.895 118.753 -0.858 1
1 213 . 7 1 1 A 27 27 LYS H H 27 7.608 7.978 -0.370 1
1 214 . 7 1 1 A 27 27 LYS HA H 27 4.027 4.126 -0.099 1
1 223 . 7 1 1 A 27 27 LYS N N 27 117.438 119.339 -1.901 1
1 224 . 7 1 1 A 28 28 VAL H H 28 8.285 8.339 -0.054 1
1 225 . 7 1 1 A 28 28 VAL HA H 28 3.813 3.704 0.109 1
1 233 . 7 1 1 A 28 28 VAL N N 28 118.134 119.424 -1.290 1
1 234 . 7 1 1 A 29 29 MET H H 29 8.030 7.904 0.126 1
1 235 . 7 1 1 A 29 29 MET HA H 29 4.422 4.315 0.107 1
1 243 . 7 1 1 A 29 29 MET N N 29 112.840 118.570 -5.730 1
1 244 . 7 1 1 A 30 30 LYS H H 30 7.320 7.623 -0.303 1
1 245 . 7 1 1 A 30 30 LYS HA H 30 4.304 4.398 -0.094 1
1 254 . 7 1 1 A 30 30 LYS N N 30 116.038 118.013 -1.975 1
1 255 . 7 1 1 A 31 31 ASP H H 31 7.495 7.334 0.161 1
1 256 . 7 1 1 A 31 31 ASP HA H 31 4.594 4.479 0.115 1
1 259 . 7 1 1 A 31 31 ASP N N 31 122.944 121.237 1.707 1
1 260 . 7 1 1 A 32 32 GLN H H 32 9.076 8.803 0.273 1
1 261 . 7 1 1 A 32 32 GLN HA H 32 4.029 3.945 0.084 1
1 268 . 7 1 1 A 32 32 GLN N N 32 126.326 124.967 1.359 1
1 270 . 7 1 1 A 33 33 ASP H H 33 8.456 7.732 0.724 1
1 271 . 7 1 1 A 33 33 ASP HA H 33 4.671 4.580 0.091 1
1 274 . 7 1 1 A 33 33 ASP N N 33 122.586 120.414 2.172 1
1 275 . 7 1 1 A 34 34 VAL H H 34 9.317 8.831 0.486 1
1 276 . 7 1 1 A 34 34 VAL HA H 34 3.521 3.528 -0.007 1
1 284 . 7 1 1 A 34 34 VAL N N 34 124.689 120.697 3.992 1
1 285 . 7 1 1 A 35 35 GLN H H 35 8.633 8.253 0.380 1
1 286 . 7 1 1 A 35 35 GLN HA H 35 3.901 4.067 -0.166 1
1 293 . 7 1 1 A 35 35 GLN N N 35 117.209 119.823 -2.614 1
1 295 . 7 1 1 A 36 36 ALA H H 36 7.935 7.705 0.230 1
1 296 . 7 1 1 A 36 36 ALA HA H 36 4.211 4.132 0.079 1
1 300 . 7 1 1 A 36 36 ALA N N 36 121.503 122.637 -1.134 1
1 301 . 7 1 1 A 37 37 PHE H H 37 7.862 8.141 -0.279 1
1 302 . 7 1 1 A 37 37 PHE HA H 37 4.357 4.394 -0.037 1
1 310 . 7 1 1 A 37 37 PHE N N 37 121.040 119.563 1.477 1
1 311 . 7 1 1 A 38 38 LEU H H 38 8.848 8.737 0.111 1
1 312 . 7 1 1 A 38 38 LEU HA H 38 3.581 3.662 -0.081 1
1 322 . 7 1 1 A 38 38 LEU N N 38 120.561 119.620 0.941 1
1 323 . 7 1 1 A 39 39 LYS H H 39 7.885 8.244 -0.359 1
1 324 . 7 1 1 A 39 39 LYS HA H 39 4.142 3.968 0.174 1
1 333 . 7 1 1 A 39 39 LYS N N 39 118.613 118.125 0.488 1
1 334 . 7 1 1 A 40 40 GLU H H 40 8.134 7.528 0.606 1
1 335 . 7 1 1 A 40 40 GLU HA H 40 4.054 4.075 -0.021 1
1 340 . 7 1 1 A 40 40 GLU N N 40 119.387 118.737 0.650 1
1 341 . 7 1 1 A 41 41 ASN H H 41 7.089 7.275 -0.186 1
1 342 . 7 1 1 A 41 41 ASN HA H 41 4.933 4.921 0.012 1
1 347 . 7 1 1 A 41 41 ASN N N 41 114.032 115.921 -1.889 1
1 349 . 7 1 1 A 42 42 GLU H H 42 7.086 8.203 -1.117 1
1 350 . 7 1 1 A 42 42 GLU HA H 42 3.957 4.017 -0.060 1
1 355 . 7 1 1 A 42 42 GLU N N 42 121.023 119.105 1.918 1
1 356 . 7 1 1 A 43 43 GLU H H 43 8.648 7.669 0.979 1
1 357 . 7 1 1 A 43 43 GLU HA H 43 4.207 4.104 0.103 1
1 362 . 7 1 1 A 43 43 GLU N N 43 115.965 120.501 -4.536 1
1 363 . 7 1 1 A 44 44 VAL H H 44 7.526 7.419 0.107 1
1 364 . 7 1 1 A 44 44 VAL HA H 44 4.445 4.121 0.324 1
1 372 . 7 1 1 A 44 44 VAL N N 44 110.987 116.705 -5.718 1
1 373 . 7 1 1 A 45 45 ILE H H 45 7.246 7.744 -0.498 1
1 374 . 7 1 1 A 45 45 ILE HA H 45 4.531 3.973 0.558 1
1 384 . 7 1 1 A 45 45 ILE N N 45 119.815 119.599 0.216 1
1 385 . 7 1 1 A 46 46 ASP H H 46 7.351 8.431 -1.080 1
1 386 . 7 1 1 A 46 46 ASP HA H 46 4.958 4.979 -0.021 1
1 389 . 7 1 1 A 46 46 ASP N N 46 124.659 126.723 -2.064 1
1 390 . 7 1 1 A 47 47 GLN H H 47 8.504 8.899 -0.395 1
1 391 . 7 1 1 A 47 47 GLN HA H 47 3.949 3.921 0.028 1
1 398 . 7 1 1 A 47 47 GLN N N 47 117.654 118.513 -0.859 1
1 400 . 7 1 1 A 48 48 LYS H H 48 8.030 8.243 -0.213 1
1 401 . 7 1 1 A 48 48 LYS HA H 48 4.132 4.028 0.104 1
1 410 . 7 1 1 A 48 48 LYS N N 48 119.335 119.455 -0.120 1
1 411 . 7 1 1 A 49 49 MET H H 49 8.250 8.696 -0.446 1
1 412 . 7 1 1 A 49 49 MET HA H 49 4.132 4.169 -0.037 1
1 420 . 7 1 1 A 49 49 MET N N 49 120.061 118.709 1.352 1
1 421 . 7 1 1 A 50 50 ILE H H 50 7.726 7.989 -0.263 1
1 422 . 7 1 1 A 50 50 ILE HA H 50 3.379 3.626 -0.247 1
1 432 . 7 1 1 A 50 50 ILE N N 50 120.912 119.740 1.172 1
1 433 . 7 1 1 A 51 51 GLU H H 51 8.044 7.785 0.259 1
1 434 . 7 1 1 A 51 51 GLU HA H 51 3.906 3.957 -0.051 1
1 439 . 7 1 1 A 51 51 GLU N N 51 117.413 118.889 -1.476 1
1 440 . 7 1 1 A 52 52 LYS H H 52 8.249 8.391 -0.142 1
1 441 . 7 1 1 A 52 52 LYS HA H 52 4.318 4.136 0.182 1
1 450 . 7 1 1 A 52 52 LYS N N 52 117.183 121.836 -4.653 1
1 451 . 7 1 1 A 53 53 SER H H 53 7.664 8.236 -0.572 1
1 452 . 7 1 1 A 53 53 SER HA H 53 5.067 4.600 0.467 1
1 455 . 7 1 1 A 53 53 SER N N 53 113.070 113.519 -0.449 1
1 456 . 7 1 1 A 54 54 LEU H H 54 7.375 7.702 -0.327 1
1 457 . 7 1 1 A 54 54 LEU HA H 54 3.980 3.998 -0.018 1
1 467 . 7 1 1 A 54 54 LEU N N 54 123.828 122.405 1.423 1
1 468 . 7 1 1 A 55 55 ASN H H 55 8.705 8.820 -0.115 1
1 469 . 7 1 1 A 55 55 ASN HA H 55 4.434 4.517 -0.083 1
1 474 . 7 1 1 A 55 55 ASN N N 55 114.672 115.839 -1.167 1
1 476 . 7 1 1 A 56 56 LYS H H 56 7.685 7.829 -0.144 1
1 477 . 7 1 1 A 56 56 LYS HA H 56 4.289 4.073 0.216 1
1 486 . 7 1 1 A 56 56 LYS N N 56 121.417 119.778 1.639 1
1 487 . 7 1 1 A 57 57 LEU H H 57 8.120 8.724 -0.604 1
1 488 . 7 1 1 A 57 57 LEU HA H 57 3.948 4.011 -0.063 1
1 498 . 7 1 1 A 57 57 LEU N N 57 118.616 119.182 -0.566 1
1 499 . 7 1 1 A 58 58 TYR H H 58 8.659 8.364 0.295 1
1 500 . 7 1 1 A 58 58 TYR HA H 58 4.124 4.092 0.032 1
1 507 . 7 1 1 A 58 58 TYR N N 58 119.812 119.433 0.379 1
1 508 . 7 1 1 A 59 59 GLU H H 59 7.999 8.585 -0.586 1
1 509 . 7 1 1 A 59 59 GLU HA H 59 3.945 3.993 -0.048 1
1 514 . 7 1 1 A 59 59 GLU N N 59 118.851 119.287 -0.436 1
1 515 . 7 1 1 A 60 60 TYR H H 60 8.132 8.300 -0.168 1
1 516 . 7 1 1 A 60 60 TYR HA H 60 4.056 4.103 -0.047 1
1 523 . 7 1 1 A 60 60 TYR N N 60 118.616 121.145 -2.529 1
1 524 . 7 1 1 A 61 61 ILE H H 61 7.985 7.595 0.390 1
1 525 . 7 1 1 A 61 61 ILE HA H 61 3.638 3.594 0.044 1
1 535 . 7 1 1 A 61 61 ILE N N 61 115.242 117.385 -2.143 1
1 536 . 7 1 1 A 62 62 GLU H H 62 7.409 8.130 -0.721 1
1 537 . 7 1 1 A 62 62 GLU HA H 62 4.056 4.082 -0.026 1
1 542 . 7 1 1 A 62 62 GLU N N 62 118.370 120.579 -2.209 1
1 543 . 7 1 1 A 63 63 GLN H H 63 7.320 7.354 -0.034 1
1 544 . 7 1 1 A 63 63 GLN HA H 63 4.583 4.522 0.061 1
1 551 . 7 1 1 A 63 63 GLN N N 63 118.398 120.707 -2.309 1
1 553 . 7 1 1 A 64 64 SER H H 64 8.134 8.352 -0.218 1
1 554 . 7 1 1 A 64 64 SER HA H 64 4.122 4.330 -0.208 1
1 557 . 7 1 1 A 64 64 SER N N 64 115.490 116.821 -1.331 1
1 558 . 7 1 1 A 65 65 LYS H H 65 8.663 8.288 0.375 1
1 559 . 7 1 1 A 65 65 LYS HA H 65 4.132 3.837 0.295 1
1 562 . 7 1 1 A 65 65 LYS N N 65 122.473 125.026 -2.553 1
1 563 . 7 1 1 A 66 66 ASN H H 66 8.010 7.861 0.149 1
1 564 . 7 1 1 A 66 66 ASN HA H 66 3.809 4.465 -0.656 1
1 569 . 7 1 1 A 66 66 ASN N N 66 117.420 117.467 -0.047 1
1 571 . 7 1 1 A 67 67 CYS H H 67 7.649 7.837 -0.188 1
1 572 . 7 1 1 A 67 67 CYS HA H 67 5.108 4.770 0.338 1
1 575 . 7 1 1 A 67 67 CYS N N 67 116.684 116.793 -0.109 1
1 576 . 7 1 1 A 68 68 SER H H 68 8.891 8.856 0.035 1
1 577 . 7 1 1 A 68 68 SER HA H 68 4.379 4.563 -0.184 1
1 580 . 7 1 1 A 68 68 SER N N 68 115.241 117.998 -2.757 1
1 581 . 7 1 1 A 69 69 TYR H H 69 9.864 8.092 1.772 1
1 582 . 7 1 1 A 69 69 TYR HA H 69 4.569 4.218 0.351 1
1 589 . 7 1 1 A 69 69 TYR N N 69 124.277 122.923 1.354 1
1 590 . 7 1 1 A 70 70 CYS H H 70 7.841 8.259 -0.418 1
1 591 . 7 1 1 A 70 70 CYS HA H 70 4.920 4.716 0.204 1
1 594 . 7 1 1 A 70 70 CYS N N 70 115.300 113.539 1.761 1
1 595 . 7 1 1 A 71 71 SER H H 71 8.032 7.432 0.600 1
1 596 . 7 1 1 A 71 71 SER HA H 71 4.673 4.691 -0.018 1
1 599 . 7 1 1 A 71 71 SER N N 71 119.327 115.303 4.024 1
1 600 . 7 1 1 A 72 72 GLU H H 72 8.701 8.672 0.029 1
1 601 . 7 1 1 A 72 72 GLU HA H 72 4.459 4.377 0.082 1
1 606 . 7 1 1 A 72 72 GLU N N 72 122.947 122.846 0.101 1
1 607 . 7 1 1 A 73 73 ASP H H 73 8.053 7.875 0.178 1
1 608 . 7 1 1 A 73 73 ASP HA H 73 4.529 4.997 -0.468 1
1 611 . 7 1 1 A 73 73 ASP N N 73 120.929 121.878 -0.949 1
1 612 . 7 1 1 A 74 74 GLU H H 74 8.754 8.850 -0.096 1
1 613 . 7 1 1 A 74 74 GLU HA H 74 4.251 4.019 0.232 1
1 618 . 7 1 1 A 74 74 GLU N N 74 122.241 123.369 -1.128 1
1 619 . 7 1 1 A 75 75 ASN H H 75 8.564 8.017 0.547 1
1 620 . 7 1 1 A 75 75 ASN HA H 75 4.803 4.939 -0.136 1
1 625 . 7 1 1 A 75 75 ASN N N 75 117.681 116.756 0.925 1
1 627 . 7 1 1 A 76 76 CYS H H 76 7.923 8.820 -0.897 1
1 628 . 7 1 1 A 76 76 CYS HA H 76 4.377 4.734 -0.357 1
1 631 . 7 1 1 A 76 76 CYS N N 76 120.055 124.681 -4.626 1
1 632 . 7 1 1 A 77 77 ASN H H 77 8.717 8.220 0.497 1
1 633 . 7 1 1 A 77 77 ASN HA H 77 4.759 4.690 0.069 1
1 638 . 7 1 1 A 77 77 ASN N N 77 122.469 118.075 4.394 1
1 640 . 7 1 1 A 78 78 ASN H H 78 8.564 7.552 1.012 1
1 641 . 7 1 1 A 78 78 ASN HA H 78 4.772 4.767 0.005 1
1 646 . 7 1 1 A 78 78 ASN N N 78 121.986 116.363 5.623 1
1 648 . 7 1 1 A 79 79 LEU H H 79 8.160 8.635 -0.475 1
1 649 . 7 1 1 A 79 79 LEU HA H 79 4.282 4.105 0.177 1
1 659 . 7 1 1 A 79 79 LEU N N 79 122.221 123.643 -1.422 1
1 660 . 7 1 1 A 80 80 LEU H H 80 8.034 7.819 0.215 1
1 661 . 7 1 1 A 80 80 LEU HA H 80 4.391 4.326 0.065 1
1 671 . 7 1 1 A 80 80 LEU N N 80 121.024 120.066 0.958 1
1 672 . 7 1 1 A 81 81 GLU H H 81 8.105 8.806 -0.701 1
1 673 . 7 1 1 A 81 81 GLU HA H 81 4.298 4.572 -0.274 1
1 678 . 7 1 1 A 81 81 GLU N N 81 122.466 124.947 -2.481 1
1 679 . 7 1 1 A 82 82 GLY H H 82 8.274 8.841 -0.567 1
1 680 . 7 1 1 A 82 82 GLY HA2 H 82 3.852 3.535 0.317 1
1 681 . 7 1 1 A 82 82 GLY HA3 H 82 3.988 3.664 0.324 1
1 682 . 7 1 1 A 82 82 GLY N N 82 112.347 114.590 -2.243 1
1 683 . 7 1 1 A 83 83 TYR H H 83 7.850 8.027 -0.177 1
1 684 . 7 1 1 A 83 83 TYR HA H 83 5.113 5.385 -0.272 1
1 691 . 7 1 1 A 83 83 TYR N N 83 118.873 119.316 -0.443 1
1 692 . 7 1 1 A 84 84 HIS H H 84 9.473 8.961 0.512 1
1 693 . 7 1 1 A 84 84 HIS HA H 84 5.117 4.796 0.321 1
1 698 . 7 1 1 A 84 84 HIS N N 84 120.297 118.310 1.987 1
1 699 . 7 1 1 A 85 85 PRO HA H 85 4.678 3.980 0.698 1
1 706 . 7 1 1 A 86 86 LYS H H 86 9.027 8.649 0.378 1
1 707 . 7 1 1 A 86 86 LYS HA H 86 4.709 5.208 -0.499 1
1 716 . 7 1 1 A 86 86 LYS N N 86 119.573 116.758 2.815 1
1 717 . 7 1 1 A 87 87 LEU H H 87 7.785 8.098 -0.313 1
1 718 . 7 1 1 A 87 87 LEU HA H 87 4.414 4.440 -0.026 1
1 727 . 7 1 1 A 87 87 LEU N N 87 123.673 123.684 -0.011 1
1 728 . 7 1 1 A 88 88 VAL H H 88 8.443 8.796 -0.353 1
1 729 . 7 1 1 A 88 88 VAL HA H 88 4.616 4.926 -0.310 1
1 737 . 7 1 1 A 88 88 VAL N N 88 115.720 117.686 -1.966 1
1 738 . 7 1 1 A 89 89 VAL H H 89 8.621 8.832 -0.211 1
1 739 . 7 1 1 A 89 89 VAL HA H 89 4.471 4.693 -0.222 1
1 747 . 7 1 1 A 89 89 VAL N N 89 122.477 126.028 -3.551 1
1 748 . 7 1 1 A 90 90 ASN H H 90 8.721 9.212 -0.491 1
1 749 . 7 1 1 A 90 90 ASN HA H 90 5.020 5.021 -0.001 1
1 754 . 7 1 1 A 90 90 ASN N N 90 127.524 127.562 -0.038 1
1 756 . 7 1 1 A 91 91 GLY H H 91 9.006 8.943 0.063 1
1 757 . 7 1 1 A 91 91 GLY HA2 H 91 3.639 3.870 -0.231 1
1 758 . 7 1 1 A 91 91 GLY HA3 H 91 3.993 3.871 0.122 1
1 759 . 7 1 1 A 91 91 GLY N N 91 115.517 115.847 -0.330 1
1 760 . 7 1 1 A 92 92 ARG H H 92 8.675 8.602 0.073 1
1 761 . 7 1 1 A 92 92 ARG HA H 92 4.530 4.355 0.175 1
1 768 . 7 1 1 A 92 92 ARG N N 92 125.836 126.631 -0.795 1
1 769 . 7 1 1 A 93 93 SER H H 93 7.875 7.759 0.116 1
1 770 . 7 1 1 A 93 93 SER HA H 93 4.707 4.917 -0.210 1
1 773 . 7 1 1 A 93 93 SER N N 93 114.996 114.614 0.382 1
1 774 . 7 1 1 A 94 94 ILE H H 94 7.943 8.494 -0.551 1
1 775 . 7 1 1 A 94 94 ILE HA H 94 4.694 5.175 -0.481 1
1 785 . 7 1 1 A 94 94 ILE N N 94 123.668 122.132 1.536 1
1 786 . 7 1 1 A 95 95 ASP H H 95 8.975 9.356 -0.381 1
1 787 . 7 1 1 A 95 95 ASP HA H 95 4.995 5.252 -0.257 1
1 790 . 7 1 1 A 95 95 ASP N N 95 128.002 125.830 2.172 1
1 791 . 7 1 1 A 96 96 ILE H H 96 8.672 8.408 0.264 1
1 792 . 7 1 1 A 96 96 ILE HA H 96 4.669 4.862 -0.193 1
1 802 . 7 1 1 A 96 96 ILE N N 96 118.150 120.240 -2.090 1
1 803 . 7 1 1 A 97 97 GLU H H 97 8.990 9.484 -0.494 1
1 804 . 7 1 1 A 97 97 GLU HA H 97 4.604 4.936 -0.332 1
1 809 . 7 1 1 A 97 97 GLU N N 97 128.072 128.680 -0.608 1
1 810 . 7 1 1 A 98 98 TYR H H 98 8.544 8.642 -0.098 1
1 811 . 7 1 1 A 98 98 TYR HA H 98 5.662 5.553 0.109 1
1 818 . 7 1 1 A 98 98 TYR N N 98 118.130 119.837 -1.707 1
1 819 . 7 1 1 A 99 99 TYR H H 99 9.389 8.867 0.522 1
1 820 . 7 1 1 A 99 99 TYR HA H 99 5.258 5.817 -0.559 1
1 827 . 7 1 1 A 99 99 TYR N N 99 121.021 120.133 0.888 1
1 828 . 7 1 1 A 100 100 GLU H H 100 8.942 8.654 0.288 1
1 829 . 7 1 1 A 100 100 GLU HA H 100 3.495 4.439 -0.944 1
1 834 . 7 1 1 A 100 100 GLU N N 100 122.954 119.792 3.162 1
1 835 . 7 1 1 A 101 101 CYS H H 101 7.742 8.933 -1.191 1
1 836 . 7 1 1 A 101 101 CYS HA H 101 3.342 4.175 -0.833 1
1 839 . 7 1 1 A 101 101 CYS N N 101 125.649 124.924 0.725 1
1 840 . 7 1 1 A 102 102 PRO HA H 102 4.415 4.345 0.070 1
1 847 . 7 1 1 A 103 103 VAL H H 103 8.493 7.377 1.116 1
1 848 . 7 1 1 A 103 103 VAL HA H 103 3.990 3.988 0.002 1
1 856 . 7 1 1 A 103 103 VAL N N 103 121.026 116.311 4.715 1
1 857 . 7 1 1 A 104 104 LYS H H 104 7.585 7.780 -0.195 1
1 858 . 7 1 1 A 104 104 LYS HA H 104 3.972 3.997 -0.025 1
1 867 . 7 1 1 A 104 104 LYS N N 104 122.941 121.377 1.564 1
1 868 . 7 1 1 A 105 105 ARG H H 105 7.848 8.094 -0.246 1
1 869 . 7 1 1 A 105 105 ARG HA H 105 4.276 4.001 0.275 1
1 876 . 7 1 1 A 105 105 ARG N N 105 121.986 118.381 3.605 1
1 6 . 8 1 1 A 2 2 GLU HA H 2 4.671 4.765 -0.094 1
1 11 . 8 1 1 A 3 3 PRO HA H 3 4.473 4.574 -0.101 1
1 18 . 8 1 1 A 4 4 ILE H H 4 8.270 8.818 -0.548 1
1 19 . 8 1 1 A 4 4 ILE HA H 4 4.156 3.917 0.239 1
1 29 . 8 1 1 A 4 4 ILE N N 4 121.501 122.710 -1.209 1
1 30 . 8 1 1 A 5 5 GLY H H 5 8.516 8.146 0.370 1
1 31 . 8 1 1 A 5 5 GLY HA2 H 5 3.952 3.991 -0.039 1
1 32 . 8 1 1 A 5 5 GLY HA3 H 5 3.992 3.991 0.001 1
1 33 . 8 1 1 A 5 5 GLY N N 5 112.831 110.070 2.761 1
1 34 . 8 1 1 A 6 6 ARG H H 6 8.197 8.167 0.030 1
1 35 . 8 1 1 A 6 6 ARG HA H 6 4.383 4.401 -0.018 1
1 42 . 8 1 1 A 6 6 ARG N N 6 121.014 121.328 -0.314 1
1 43 . 8 1 1 A 7 7 SER H H 7 8.400 8.331 0.069 1
1 44 . 8 1 1 A 7 7 SER HA H 7 4.472 4.579 -0.107 1
1 47 . 8 1 1 A 7 7 SER N N 7 116.921 121.068 -4.147 1
1 48 . 8 1 1 A 8 8 LEU H H 8 8.376 8.338 0.038 1
1 49 . 8 1 1 A 8 8 LEU HA H 8 4.390 4.662 -0.272 1
1 59 . 8 1 1 A 8 8 LEU N N 8 124.394 127.122 -2.728 1
1 60 . 8 1 1 A 9 9 GLN H H 9 8.292 8.680 -0.388 1
1 61 . 8 1 1 A 9 9 GLN HA H 9 4.323 4.381 -0.058 1
1 68 . 8 1 1 A 9 9 GLN N N 9 120.593 125.296 -4.703 1
1 70 . 8 1 1 A 10 10 GLY H H 10 8.417 8.748 -0.331 1
1 71 . 8 1 1 A 10 10 GLY HA2 H 10 3.992 4.087 -0.095 1
1 72 . 8 1 1 A 10 10 GLY HA3 H 10 3.992 4.087 -0.095 1
1 73 . 8 1 1 A 10 10 GLY N N 10 110.179 114.053 -3.874 1
1 74 . 8 1 1 A 11 11 VAL H H 11 8.040 8.183 -0.143 1
1 75 . 8 1 1 A 11 11 VAL HA H 11 4.208 3.966 0.242 1
1 83 . 8 1 1 A 11 11 VAL N N 11 119.334 119.376 -0.042 1
1 84 . 8 1 1 A 12 12 THR H H 12 8.210 7.657 0.553 1
1 85 . 8 1 1 A 12 12 THR HA H 12 4.285 4.288 -0.003 1
1 90 . 8 1 1 A 12 12 THR N N 12 117.160 112.853 4.307 1
1 91 . 8 1 1 A 13 13 GLY H H 13 8.388 7.464 0.924 1
1 92 . 8 1 1 A 13 13 GLY HA2 H 13 3.988 4.189 -0.201 1
1 93 . 8 1 1 A 13 13 GLY HA3 H 13 4.027 4.189 -0.162 1
1 94 . 8 1 1 A 13 13 GLY N N 13 111.151 109.380 1.771 1
1 95 . 8 1 1 A 14 14 ARG H H 14 8.169 8.742 -0.573 1
1 96 . 8 1 1 A 14 14 ARG HA H 14 4.668 4.979 -0.311 1
1 103 . 8 1 1 A 14 14 ARG N N 14 121.499 122.623 -1.124 1
1 104 . 8 1 1 A 15 15 PRO HA H 15 4.426 4.605 -0.179 1
1 111 . 8 1 1 A 16 16 ASP H H 16 8.475 8.851 -0.376 1
1 112 . 8 1 1 A 16 16 ASP HA H 16 4.556 4.344 0.212 1
1 115 . 8 1 1 A 16 16 ASP N N 16 119.586 125.781 -6.195 1
1 116 . 8 1 1 A 17 17 PHE H H 17 8.179 8.176 0.003 1
1 117 . 8 1 1 A 17 17 PHE HA H 17 4.366 4.127 0.239 1
1 125 . 8 1 1 A 17 17 PHE N N 17 121.747 120.565 1.182 1
1 126 . 8 1 1 A 18 18 GLN H H 18 8.200 8.530 -0.330 1
1 127 . 8 1 1 A 18 18 GLN HA H 18 3.998 3.941 0.057 1
1 134 . 8 1 1 A 18 18 GLN N N 18 119.816 117.519 2.297 1
1 136 . 8 1 1 A 19 19 LYS H H 19 7.986 7.875 0.111 1
1 137 . 8 1 1 A 19 19 LYS HA H 19 4.126 4.093 0.033 1
1 146 . 8 1 1 A 19 19 LYS N N 19 120.081 119.487 0.594 1
1 147 . 8 1 1 A 20 20 ARG H H 20 7.918 8.061 -0.143 1
1 148 . 8 1 1 A 20 20 ARG HA H 20 4.125 4.025 0.100 1
1 155 . 8 1 1 A 20 20 ARG N N 20 118.851 118.602 0.249 1
1 156 . 8 1 1 A 21 21 LEU H H 21 7.954 7.779 0.175 1
1 157 . 8 1 1 A 21 21 LEU HA H 21 4.127 3.804 0.323 1
1 167 . 8 1 1 A 21 21 LEU N N 21 121.258 122.440 -1.182 1
1 168 . 8 1 1 A 22 22 GLU H H 22 8.169 8.297 -0.128 1
1 169 . 8 1 1 A 22 22 GLU HA H 22 3.981 3.936 0.045 1
1 174 . 8 1 1 A 22 22 GLU N N 22 119.093 118.323 0.770 1
1 175 . 8 1 1 A 23 23 GLN H H 23 8.015 7.957 0.058 1
1 176 . 8 1 1 A 23 23 GLN HA H 23 4.174 4.071 0.103 1
1 183 . 8 1 1 A 23 23 GLN N N 23 119.335 120.151 -0.816 1
1 185 . 8 1 1 A 24 24 MET H H 24 8.209 8.493 -0.284 1
1 186 . 8 1 1 A 24 24 MET HA H 24 4.005 4.034 -0.029 1
1 194 . 8 1 1 A 24 24 MET N N 24 119.750 118.425 1.325 1
1 195 . 8 1 1 A 25 25 LYS H H 25 8.387 8.007 0.380 1
1 196 . 8 1 1 A 25 25 LYS HA H 25 3.797 3.910 -0.113 1
1 205 . 8 1 1 A 25 25 LYS N N 25 119.097 120.300 -1.203 1
1 206 . 8 1 1 A 26 26 GLU H H 26 7.936 8.344 -0.408 1
1 207 . 8 1 1 A 26 26 GLU HA H 26 3.989 3.977 0.012 1
1 212 . 8 1 1 A 26 26 GLU N N 26 117.895 118.708 -0.813 1
1 213 . 8 1 1 A 27 27 LYS H H 27 7.608 7.916 -0.308 1
1 214 . 8 1 1 A 27 27 LYS HA H 27 4.027 4.066 -0.039 1
1 223 . 8 1 1 A 27 27 LYS N N 27 117.438 118.499 -1.061 1
1 224 . 8 1 1 A 28 28 VAL H H 28 8.285 8.095 0.190 1
1 225 . 8 1 1 A 28 28 VAL HA H 28 3.813 3.705 0.108 1
1 233 . 8 1 1 A 28 28 VAL N N 28 118.134 119.515 -1.381 1
1 234 . 8 1 1 A 29 29 MET H H 29 8.030 8.055 -0.025 1
1 235 . 8 1 1 A 29 29 MET HA H 29 4.422 4.347 0.075 1
1 243 . 8 1 1 A 29 29 MET N N 29 112.840 117.909 -5.069 1
1 244 . 8 1 1 A 30 30 LYS H H 30 7.320 7.751 -0.431 1
1 245 . 8 1 1 A 30 30 LYS HA H 30 4.304 4.433 -0.129 1
1 254 . 8 1 1 A 30 30 LYS N N 30 116.038 119.725 -3.687 1
1 255 . 8 1 1 A 31 31 ASP H H 31 7.495 7.334 0.161 1
1 256 . 8 1 1 A 31 31 ASP HA H 31 4.594 4.386 0.208 1
1 259 . 8 1 1 A 31 31 ASP N N 31 122.944 118.976 3.968 1
1 260 . 8 1 1 A 32 32 GLN H H 32 9.076 8.676 0.400 1
1 261 . 8 1 1 A 32 32 GLN HA H 32 4.029 3.973 0.056 1
1 268 . 8 1 1 A 32 32 GLN N N 32 126.326 124.046 2.280 1
1 270 . 8 1 1 A 33 33 ASP H H 33 8.456 8.243 0.213 1
1 271 . 8 1 1 A 33 33 ASP HA H 33 4.671 4.480 0.191 1
1 274 . 8 1 1 A 33 33 ASP N N 33 122.586 119.998 2.588 1
1 275 . 8 1 1 A 34 34 VAL H H 34 9.317 8.162 1.155 1
1 276 . 8 1 1 A 34 34 VAL HA H 34 3.521 3.581 -0.060 1
1 284 . 8 1 1 A 34 34 VAL N N 34 124.689 120.684 4.005 1
1 285 . 8 1 1 A 35 35 GLN H H 35 8.633 7.970 0.663 1
1 286 . 8 1 1 A 35 35 GLN HA H 35 3.901 4.017 -0.116 1
1 293 . 8 1 1 A 35 35 GLN N N 35 117.209 118.754 -1.545 1
1 295 . 8 1 1 A 36 36 ALA H H 36 7.935 7.682 0.253 1
1 296 . 8 1 1 A 36 36 ALA HA H 36 4.211 4.156 0.055 1
1 300 . 8 1 1 A 36 36 ALA N N 36 121.503 122.253 -0.750 1
1 301 . 8 1 1 A 37 37 PHE H H 37 7.862 7.793 0.069 1
1 302 . 8 1 1 A 37 37 PHE HA H 37 4.357 4.273 0.084 1
1 310 . 8 1 1 A 37 37 PHE N N 37 121.040 120.728 0.312 1
1 311 . 8 1 1 A 38 38 LEU H H 38 8.848 8.668 0.180 1
1 312 . 8 1 1 A 38 38 LEU HA H 38 3.581 3.812 -0.231 1
1 322 . 8 1 1 A 38 38 LEU N N 38 120.561 119.535 1.026 1
1 323 . 8 1 1 A 39 39 LYS H H 39 7.885 8.107 -0.222 1
1 324 . 8 1 1 A 39 39 LYS HA H 39 4.142 4.054 0.088 1
1 333 . 8 1 1 A 39 39 LYS N N 39 118.613 118.996 -0.383 1
1 334 . 8 1 1 A 40 40 GLU H H 40 8.134 7.697 0.437 1
1 335 . 8 1 1 A 40 40 GLU HA H 40 4.054 4.014 0.040 1
1 340 . 8 1 1 A 40 40 GLU N N 40 119.387 119.774 -0.387 1
1 341 . 8 1 1 A 41 41 ASN H H 41 7.089 7.536 -0.447 1
1 342 . 8 1 1 A 41 41 ASN HA H 41 4.933 4.913 0.020 1
1 347 . 8 1 1 A 41 41 ASN N N 41 114.032 116.339 -2.307 1
1 349 . 8 1 1 A 42 42 GLU H H 42 7.086 8.240 -1.154 1
1 350 . 8 1 1 A 42 42 GLU HA H 42 3.957 3.941 0.016 1
1 355 . 8 1 1 A 42 42 GLU N N 42 121.023 119.133 1.890 1
1 356 . 8 1 1 A 43 43 GLU H H 43 8.648 7.706 0.942 1
1 357 . 8 1 1 A 43 43 GLU HA H 43 4.207 4.087 0.120 1
1 362 . 8 1 1 A 43 43 GLU N N 43 115.965 119.904 -3.939 1
1 363 . 8 1 1 A 44 44 VAL H H 44 7.526 7.169 0.357 1
1 364 . 8 1 1 A 44 44 VAL HA H 44 4.445 4.059 0.386 1
1 372 . 8 1 1 A 44 44 VAL N N 44 110.987 116.890 -5.903 1
1 373 . 8 1 1 A 45 45 ILE H H 45 7.246 7.949 -0.703 1
1 374 . 8 1 1 A 45 45 ILE HA H 45 4.531 4.332 0.199 1
1 384 . 8 1 1 A 45 45 ILE N N 45 119.815 119.997 -0.182 1
1 385 . 8 1 1 A 46 46 ASP H H 46 7.351 8.240 -0.889 1
1 386 . 8 1 1 A 46 46 ASP HA H 46 4.958 5.030 -0.072 1
1 389 . 8 1 1 A 46 46 ASP N N 46 124.659 126.607 -1.948 1
1 390 . 8 1 1 A 47 47 GLN H H 47 8.504 8.963 -0.459 1
1 391 . 8 1 1 A 47 47 GLN HA H 47 3.949 3.957 -0.008 1
1 398 . 8 1 1 A 47 47 GLN N N 47 117.654 123.634 -5.980 1
1 400 . 8 1 1 A 48 48 LYS H H 48 8.030 8.217 -0.187 1
1 401 . 8 1 1 A 48 48 LYS HA H 48 4.132 4.014 0.118 1
1 410 . 8 1 1 A 48 48 LYS N N 48 119.335 119.425 -0.090 1
1 411 . 8 1 1 A 49 49 MET H H 49 8.250 8.137 0.113 1
1 412 . 8 1 1 A 49 49 MET HA H 49 4.132 4.214 -0.082 1
1 420 . 8 1 1 A 49 49 MET N N 49 120.061 118.979 1.082 1
1 421 . 8 1 1 A 50 50 ILE H H 50 7.726 7.971 -0.245 1
1 422 . 8 1 1 A 50 50 ILE HA H 50 3.379 3.626 -0.247 1
1 432 . 8 1 1 A 50 50 ILE N N 50 120.912 119.795 1.117 1
1 433 . 8 1 1 A 51 51 GLU H H 51 8.044 7.728 0.316 1
1 434 . 8 1 1 A 51 51 GLU HA H 51 3.906 3.968 -0.062 1
1 439 . 8 1 1 A 51 51 GLU N N 51 117.413 118.884 -1.471 1
1 440 . 8 1 1 A 52 52 LYS H H 52 8.249 8.418 -0.169 1
1 441 . 8 1 1 A 52 52 LYS HA H 52 4.318 4.093 0.225 1
1 450 . 8 1 1 A 52 52 LYS N N 52 117.183 121.528 -4.345 1
1 451 . 8 1 1 A 53 53 SER H H 53 7.664 7.680 -0.016 1
1 452 . 8 1 1 A 53 53 SER HA H 53 5.067 4.908 0.159 1
1 455 . 8 1 1 A 53 53 SER N N 53 113.070 112.890 0.180 1
1 456 . 8 1 1 A 54 54 LEU H H 54 7.375 7.333 0.042 1
1 457 . 8 1 1 A 54 54 LEU HA H 54 3.980 4.088 -0.108 1
1 467 . 8 1 1 A 54 54 LEU N N 54 123.828 123.360 0.468 1
1 468 . 8 1 1 A 55 55 ASN H H 55 8.705 8.855 -0.150 1
1 469 . 8 1 1 A 55 55 ASN HA H 55 4.434 4.486 -0.052 1
1 474 . 8 1 1 A 55 55 ASN N N 55 114.672 116.309 -1.637 1
1 476 . 8 1 1 A 56 56 LYS H H 56 7.685 7.766 -0.081 1
1 477 . 8 1 1 A 56 56 LYS HA H 56 4.289 4.130 0.159 1
1 486 . 8 1 1 A 56 56 LYS N N 56 121.417 120.003 1.414 1
1 487 . 8 1 1 A 57 57 LEU H H 57 8.120 8.548 -0.428 1
1 488 . 8 1 1 A 57 57 LEU HA H 57 3.948 3.948 0.000 1
1 498 . 8 1 1 A 57 57 LEU N N 57 118.616 119.560 -0.944 1
1 499 . 8 1 1 A 58 58 TYR H H 58 8.659 8.583 0.076 1
1 500 . 8 1 1 A 58 58 TYR HA H 58 4.124 4.100 0.024 1
1 507 . 8 1 1 A 58 58 TYR N N 58 119.812 118.876 0.936 1
1 508 . 8 1 1 A 59 59 GLU H H 59 7.999 8.266 -0.267 1
1 509 . 8 1 1 A 59 59 GLU HA H 59 3.945 3.905 0.040 1
1 514 . 8 1 1 A 59 59 GLU N N 59 118.851 119.786 -0.935 1
1 515 . 8 1 1 A 60 60 TYR H H 60 8.132 8.165 -0.033 1
1 516 . 8 1 1 A 60 60 TYR HA H 60 4.056 4.092 -0.036 1
1 523 . 8 1 1 A 60 60 TYR N N 60 118.616 121.233 -2.617 1
1 524 . 8 1 1 A 61 61 ILE H H 61 7.985 7.654 0.331 1
1 525 . 8 1 1 A 61 61 ILE HA H 61 3.638 3.610 0.028 1
1 535 . 8 1 1 A 61 61 ILE N N 61 115.242 117.637 -2.395 1
1 536 . 8 1 1 A 62 62 GLU H H 62 7.409 8.142 -0.733 1
1 537 . 8 1 1 A 62 62 GLU HA H 62 4.056 4.054 0.002 1
1 542 . 8 1 1 A 62 62 GLU N N 62 118.370 120.908 -2.538 1
1 543 . 8 1 1 A 63 63 GLN H H 63 7.320 7.274 0.046 1
1 544 . 8 1 1 A 63 63 GLN HA H 63 4.583 4.372 0.211 1
1 551 . 8 1 1 A 63 63 GLN N N 63 118.398 121.248 -2.850 1
1 553 . 8 1 1 A 64 64 SER H H 64 8.134 8.316 -0.182 1
1 554 . 8 1 1 A 64 64 SER HA H 64 4.122 4.332 -0.210 1
1 557 . 8 1 1 A 64 64 SER N N 64 115.490 116.402 -0.912 1
1 558 . 8 1 1 A 65 65 LYS H H 65 8.663 8.520 0.143 1
1 559 . 8 1 1 A 65 65 LYS HA H 65 4.132 3.830 0.302 1
1 562 . 8 1 1 A 65 65 LYS N N 65 122.473 128.205 -5.732 1
1 563 . 8 1 1 A 66 66 ASN H H 66 8.010 7.679 0.331 1
1 564 . 8 1 1 A 66 66 ASN HA H 66 3.809 4.694 -0.885 1
1 569 . 8 1 1 A 66 66 ASN N N 66 117.420 115.563 1.857 1
1 571 . 8 1 1 A 67 67 CYS H H 67 7.649 8.067 -0.418 1
1 572 . 8 1 1 A 67 67 CYS HA H 67 5.108 5.169 -0.061 1
1 575 . 8 1 1 A 67 67 CYS N N 67 116.684 116.979 -0.295 1
1 576 . 8 1 1 A 68 68 SER H H 68 8.891 9.212 -0.321 1
1 577 . 8 1 1 A 68 68 SER HA H 68 4.379 4.114 0.265 1
1 580 . 8 1 1 A 68 68 SER N N 68 115.241 118.874 -3.633 1
1 581 . 8 1 1 A 69 69 TYR H H 69 9.864 8.057 1.807 1
1 582 . 8 1 1 A 69 69 TYR HA H 69 4.569 4.149 0.420 1
1 589 . 8 1 1 A 69 69 TYR N N 69 124.277 122.868 1.409 1
1 590 . 8 1 1 A 70 70 CYS H H 70 7.841 8.445 -0.604 1
1 591 . 8 1 1 A 70 70 CYS HA H 70 4.920 4.805 0.115 1
1 594 . 8 1 1 A 70 70 CYS N N 70 115.300 114.118 1.182 1
1 595 . 8 1 1 A 71 71 SER H H 71 8.032 8.181 -0.149 1
1 596 . 8 1 1 A 71 71 SER HA H 71 4.673 4.781 -0.108 1
1 599 . 8 1 1 A 71 71 SER N N 71 119.327 113.525 5.802 1
1 600 . 8 1 1 A 72 72 GLU H H 72 8.701 8.714 -0.013 1
1 601 . 8 1 1 A 72 72 GLU HA H 72 4.459 4.563 -0.104 1
1 606 . 8 1 1 A 72 72 GLU N N 72 122.947 120.654 2.293 1
1 607 . 8 1 1 A 73 73 ASP H H 73 8.053 7.598 0.455 1
1 608 . 8 1 1 A 73 73 ASP HA H 73 4.529 4.509 0.020 1
1 611 . 8 1 1 A 73 73 ASP N N 73 120.929 120.887 0.042 1
1 612 . 8 1 1 A 74 74 GLU H H 74 8.754 9.059 -0.305 1
1 613 . 8 1 1 A 74 74 GLU HA H 74 4.251 4.184 0.067 1
1 618 . 8 1 1 A 74 74 GLU N N 74 122.241 126.049 -3.808 1
1 619 . 8 1 1 A 75 75 ASN H H 75 8.564 7.911 0.653 1
1 620 . 8 1 1 A 75 75 ASN HA H 75 4.803 4.837 -0.034 1
1 625 . 8 1 1 A 75 75 ASN N N 75 117.681 115.485 2.196 1
1 627 . 8 1 1 A 76 76 CYS H H 76 7.923 8.744 -0.821 1
1 628 . 8 1 1 A 76 76 CYS HA H 76 4.377 4.360 0.017 1
1 631 . 8 1 1 A 76 76 CYS N N 76 120.055 123.650 -3.595 1
1 632 . 8 1 1 A 77 77 ASN H H 77 8.717 8.765 -0.048 1
1 633 . 8 1 1 A 77 77 ASN HA H 77 4.759 4.841 -0.082 1
1 638 . 8 1 1 A 77 77 ASN N N 77 122.469 124.155 -1.686 1
1 640 . 8 1 1 A 78 78 ASN H H 78 8.564 7.431 1.133 1
1 641 . 8 1 1 A 78 78 ASN HA H 78 4.772 4.932 -0.160 1
1 646 . 8 1 1 A 78 78 ASN N N 78 121.986 118.327 3.659 1
1 648 . 8 1 1 A 79 79 LEU H H 79 8.160 8.678 -0.518 1
1 649 . 8 1 1 A 79 79 LEU HA H 79 4.282 4.012 0.270 1
1 659 . 8 1 1 A 79 79 LEU N N 79 122.221 127.241 -5.020 1
1 660 . 8 1 1 A 80 80 LEU H H 80 8.034 7.645 0.389 1
1 661 . 8 1 1 A 80 80 LEU HA H 80 4.391 4.260 0.131 1
1 671 . 8 1 1 A 80 80 LEU N N 80 121.024 119.781 1.243 1
1 672 . 8 1 1 A 81 81 GLU H H 81 8.105 8.357 -0.252 1
1 673 . 8 1 1 A 81 81 GLU HA H 81 4.298 4.073 0.225 1
1 678 . 8 1 1 A 81 81 GLU N N 81 122.466 125.468 -3.002 1
1 679 . 8 1 1 A 82 82 GLY H H 82 8.274 8.946 -0.672 1
1 680 . 8 1 1 A 82 82 GLY HA2 H 82 3.852 3.731 0.121 1
1 681 . 8 1 1 A 82 82 GLY HA3 H 82 3.988 3.782 0.206 1
1 682 . 8 1 1 A 82 82 GLY N N 82 112.347 114.509 -2.162 1
1 683 . 8 1 1 A 83 83 TYR H H 83 7.850 7.779 0.071 1
1 684 . 8 1 1 A 83 83 TYR HA H 83 5.113 5.251 -0.138 1
1 691 . 8 1 1 A 83 83 TYR N N 83 118.873 119.349 -0.476 1
1 692 . 8 1 1 A 84 84 HIS H H 84 9.473 8.895 0.578 1
1 693 . 8 1 1 A 84 84 HIS HA H 84 5.117 4.833 0.284 1
1 698 . 8 1 1 A 84 84 HIS N N 84 120.297 118.042 2.255 1
1 699 . 8 1 1 A 85 85 PRO HA H 85 4.678 4.308 0.370 1
1 706 . 8 1 1 A 86 86 LYS H H 86 9.027 8.957 0.070 1
1 707 . 8 1 1 A 86 86 LYS HA H 86 4.709 5.380 -0.671 1
1 716 . 8 1 1 A 86 86 LYS N N 86 119.573 116.809 2.764 1
1 717 . 8 1 1 A 87 87 LEU H H 87 7.785 7.889 -0.104 1
1 718 . 8 1 1 A 87 87 LEU HA H 87 4.414 4.343 0.071 1
1 727 . 8 1 1 A 87 87 LEU N N 87 123.673 122.442 1.231 1
1 728 . 8 1 1 A 88 88 VAL H H 88 8.443 8.835 -0.392 1
1 729 . 8 1 1 A 88 88 VAL HA H 88 4.616 5.092 -0.476 1
1 737 . 8 1 1 A 88 88 VAL N N 88 115.720 117.715 -1.995 1
1 738 . 8 1 1 A 89 89 VAL H H 89 8.621 9.059 -0.438 1
1 739 . 8 1 1 A 89 89 VAL HA H 89 4.471 4.715 -0.244 1
1 747 . 8 1 1 A 89 89 VAL N N 89 122.477 123.870 -1.393 1
1 748 . 8 1 1 A 90 90 ASN H H 90 8.721 9.073 -0.352 1
1 749 . 8 1 1 A 90 90 ASN HA H 90 5.020 5.098 -0.078 1
1 754 . 8 1 1 A 90 90 ASN N N 90 127.524 124.347 3.177 1
1 756 . 8 1 1 A 91 91 GLY H H 91 9.006 8.892 0.114 1
1 757 . 8 1 1 A 91 91 GLY HA2 H 91 3.639 3.871 -0.232 1
1 758 . 8 1 1 A 91 91 GLY HA3 H 91 3.993 3.874 0.119 1
1 759 . 8 1 1 A 91 91 GLY N N 91 115.517 115.830 -0.313 1
1 760 . 8 1 1 A 92 92 ARG H H 92 8.675 8.609 0.066 1
1 761 . 8 1 1 A 92 92 ARG HA H 92 4.530 4.400 0.130 1
1 768 . 8 1 1 A 92 92 ARG N N 92 125.836 126.437 -0.601 1
1 769 . 8 1 1 A 93 93 SER H H 93 7.875 7.558 0.317 1
1 770 . 8 1 1 A 93 93 SER HA H 93 4.707 5.136 -0.429 1
1 773 . 8 1 1 A 93 93 SER N N 93 114.996 116.765 -1.769 1
1 774 . 8 1 1 A 94 94 ILE H H 94 7.943 9.041 -1.098 1
1 775 . 8 1 1 A 94 94 ILE HA H 94 4.694 4.895 -0.201 1
1 785 . 8 1 1 A 94 94 ILE N N 94 123.668 126.815 -3.147 1
1 786 . 8 1 1 A 95 95 ASP H H 95 8.975 9.339 -0.364 1
1 787 . 8 1 1 A 95 95 ASP HA H 95 4.995 5.342 -0.347 1
1 790 . 8 1 1 A 95 95 ASP N N 95 128.002 126.930 1.072 1
1 791 . 8 1 1 A 96 96 ILE H H 96 8.672 8.443 0.229 1
1 792 . 8 1 1 A 96 96 ILE HA H 96 4.669 5.041 -0.372 1
1 802 . 8 1 1 A 96 96 ILE N N 96 118.150 120.610 -2.460 1
1 803 . 8 1 1 A 97 97 GLU H H 97 8.990 9.482 -0.492 1
1 804 . 8 1 1 A 97 97 GLU HA H 97 4.604 5.031 -0.427 1
1 809 . 8 1 1 A 97 97 GLU N N 97 128.072 127.407 0.665 1
1 810 . 8 1 1 A 98 98 TYR H H 98 8.544 8.576 -0.032 1
1 811 . 8 1 1 A 98 98 TYR HA H 98 5.662 5.820 -0.158 1
1 818 . 8 1 1 A 98 98 TYR N N 98 118.130 119.738 -1.608 1
1 819 . 8 1 1 A 99 99 TYR H H 99 9.389 9.044 0.345 1
1 820 . 8 1 1 A 99 99 TYR HA H 99 5.258 5.585 -0.327 1
1 827 . 8 1 1 A 99 99 TYR N N 99 121.021 118.903 2.118 1
1 828 . 8 1 1 A 100 100 GLU H H 100 8.942 8.671 0.271 1
1 829 . 8 1 1 A 100 100 GLU HA H 100 3.495 3.908 -0.413 1
1 834 . 8 1 1 A 100 100 GLU N N 100 122.954 120.739 2.215 1
1 835 . 8 1 1 A 101 101 CYS H H 101 7.742 8.579 -0.837 1
1 836 . 8 1 1 A 101 101 CYS HA H 101 3.342 4.090 -0.748 1
1 839 . 8 1 1 A 101 101 CYS N N 101 125.649 123.437 2.212 1
1 840 . 8 1 1 A 102 102 PRO HA H 102 4.415 4.311 0.104 1
1 847 . 8 1 1 A 103 103 VAL H H 103 8.493 7.307 1.186 1
1 848 . 8 1 1 A 103 103 VAL HA H 103 3.990 3.856 0.134 1
1 856 . 8 1 1 A 103 103 VAL N N 103 121.026 116.292 4.734 1
1 857 . 8 1 1 A 104 104 LYS H H 104 7.585 7.968 -0.383 1
1 858 . 8 1 1 A 104 104 LYS HA H 104 3.972 4.240 -0.268 1
1 867 . 8 1 1 A 104 104 LYS N N 104 122.941 120.745 2.196 1
1 868 . 8 1 1 A 105 105 ARG H H 105 7.848 7.473 0.375 1
1 869 . 8 1 1 A 105 105 ARG HA H 105 4.276 4.567 -0.291 1
1 876 . 8 1 1 A 105 105 ARG N N 105 121.986 120.209 1.777 1
1 6 . 9 1 1 A 2 2 GLU HA H 2 4.671 5.019 -0.348 1
1 11 . 9 1 1 A 3 3 PRO HA H 3 4.473 4.380 0.093 1
1 18 . 9 1 1 A 4 4 ILE H H 4 8.270 8.394 -0.124 1
1 19 . 9 1 1 A 4 4 ILE HA H 4 4.156 4.406 -0.250 1
1 29 . 9 1 1 A 4 4 ILE N N 4 121.501 124.457 -2.956 1
1 30 . 9 1 1 A 5 5 GLY H H 5 8.516 8.532 -0.016 1
1 31 . 9 1 1 A 5 5 GLY HA2 H 5 3.952 4.324 -0.372 1
1 32 . 9 1 1 A 5 5 GLY HA3 H 5 3.992 4.325 -0.333 1
1 33 . 9 1 1 A 5 5 GLY N N 5 112.831 114.169 -1.338 1
1 34 . 9 1 1 A 6 6 ARG H H 6 8.197 8.646 -0.449 1
1 35 . 9 1 1 A 6 6 ARG HA H 6 4.383 5.085 -0.702 1
1 42 . 9 1 1 A 6 6 ARG N N 6 121.014 117.663 3.351 1
1 43 . 9 1 1 A 7 7 SER H H 7 8.400 9.189 -0.789 1
1 44 . 9 1 1 A 7 7 SER HA H 7 4.472 4.351 0.121 1
1 47 . 9 1 1 A 7 7 SER N N 7 116.921 119.425 -2.504 1
1 48 . 9 1 1 A 8 8 LEU H H 8 8.376 8.387 -0.011 1
1 49 . 9 1 1 A 8 8 LEU HA H 8 4.390 3.896 0.494 1
1 59 . 9 1 1 A 8 8 LEU N N 8 124.394 128.452 -4.058 1
1 60 . 9 1 1 A 9 9 GLN H H 9 8.292 7.878 0.414 1
1 61 . 9 1 1 A 9 9 GLN HA H 9 4.323 4.537 -0.214 1
1 68 . 9 1 1 A 9 9 GLN N N 9 120.593 114.594 5.999 1
1 70 . 9 1 1 A 10 10 GLY H H 10 8.417 7.984 0.433 1
1 71 . 9 1 1 A 10 10 GLY HA2 H 10 3.992 3.999 -0.007 1
1 72 . 9 1 1 A 10 10 GLY HA3 H 10 3.992 4.000 -0.008 1
1 73 . 9 1 1 A 10 10 GLY N N 10 110.179 107.782 2.397 1
1 74 . 9 1 1 A 11 11 VAL H H 11 8.040 7.740 0.300 1
1 75 . 9 1 1 A 11 11 VAL HA H 11 4.208 4.000 0.208 1
1 83 . 9 1 1 A 11 11 VAL N N 11 119.334 118.043 1.291 1
1 84 . 9 1 1 A 12 12 THR H H 12 8.210 7.964 0.246 1
1 85 . 9 1 1 A 12 12 THR HA H 12 4.285 4.107 0.178 1
1 90 . 9 1 1 A 12 12 THR N N 12 117.160 114.505 2.655 1
1 91 . 9 1 1 A 13 13 GLY H H 13 8.388 7.551 0.837 1
1 92 . 9 1 1 A 13 13 GLY HA2 H 13 3.988 4.069 -0.081 1
1 93 . 9 1 1 A 13 13 GLY HA3 H 13 4.027 4.069 -0.042 1
1 94 . 9 1 1 A 13 13 GLY N N 13 111.151 107.870 3.281 1
1 95 . 9 1 1 A 14 14 ARG H H 14 8.169 8.618 -0.449 1
1 96 . 9 1 1 A 14 14 ARG HA H 14 4.668 5.262 -0.594 1
1 103 . 9 1 1 A 14 14 ARG N N 14 121.499 121.832 -0.333 1
1 104 . 9 1 1 A 15 15 PRO HA H 15 4.426 4.690 -0.264 1
1 111 . 9 1 1 A 16 16 ASP H H 16 8.475 8.779 -0.304 1
1 112 . 9 1 1 A 16 16 ASP HA H 16 4.556 4.338 0.218 1
1 115 . 9 1 1 A 16 16 ASP N N 16 119.586 123.108 -3.522 1
1 116 . 9 1 1 A 17 17 PHE H H 17 8.179 8.488 -0.309 1
1 117 . 9 1 1 A 17 17 PHE HA H 17 4.366 4.057 0.309 1
1 125 . 9 1 1 A 17 17 PHE N N 17 121.747 121.569 0.178 1
1 126 . 9 1 1 A 18 18 GLN H H 18 8.200 8.507 -0.307 1
1 127 . 9 1 1 A 18 18 GLN HA H 18 3.998 3.980 0.018 1
1 134 . 9 1 1 A 18 18 GLN N N 18 119.816 117.558 2.258 1
1 136 . 9 1 1 A 19 19 LYS H H 19 7.986 7.715 0.271 1
1 137 . 9 1 1 A 19 19 LYS HA H 19 4.126 4.181 -0.055 1
1 146 . 9 1 1 A 19 19 LYS N N 19 120.081 118.853 1.228 1
1 147 . 9 1 1 A 20 20 ARG H H 20 7.918 7.982 -0.064 1
1 148 . 9 1 1 A 20 20 ARG HA H 20 4.125 3.979 0.146 1
1 155 . 9 1 1 A 20 20 ARG N N 20 118.851 119.966 -1.115 1
1 156 . 9 1 1 A 21 21 LEU H H 21 7.954 8.010 -0.056 1
1 157 . 9 1 1 A 21 21 LEU HA H 21 4.127 3.811 0.316 1
1 167 . 9 1 1 A 21 21 LEU N N 21 121.258 121.082 0.176 1
1 168 . 9 1 1 A 22 22 GLU H H 22 8.169 8.471 -0.302 1
1 169 . 9 1 1 A 22 22 GLU HA H 22 3.981 3.899 0.082 1
1 174 . 9 1 1 A 22 22 GLU N N 22 119.093 118.267 0.826 1
1 175 . 9 1 1 A 23 23 GLN H H 23 8.015 7.935 0.080 1
1 176 . 9 1 1 A 23 23 GLN HA H 23 4.174 4.030 0.144 1
1 183 . 9 1 1 A 23 23 GLN N N 23 119.335 120.076 -0.741 1
1 185 . 9 1 1 A 24 24 MET H H 24 8.209 8.590 -0.381 1
1 186 . 9 1 1 A 24 24 MET HA H 24 4.005 3.912 0.093 1
1 194 . 9 1 1 A 24 24 MET N N 24 119.750 118.339 1.411 1
1 195 . 9 1 1 A 25 25 LYS H H 25 8.387 8.053 0.334 1
1 196 . 9 1 1 A 25 25 LYS HA H 25 3.797 3.943 -0.146 1
1 205 . 9 1 1 A 25 25 LYS N N 25 119.097 120.516 -1.419 1
1 206 . 9 1 1 A 26 26 GLU H H 26 7.936 8.099 -0.163 1
1 207 . 9 1 1 A 26 26 GLU HA H 26 3.989 4.093 -0.104 1
1 212 . 9 1 1 A 26 26 GLU N N 26 117.895 118.380 -0.485 1
1 213 . 9 1 1 A 27 27 LYS H H 27 7.608 8.141 -0.533 1
1 214 . 9 1 1 A 27 27 LYS HA H 27 4.027 4.058 -0.031 1
1 223 . 9 1 1 A 27 27 LYS N N 27 117.438 118.954 -1.516 1
1 224 . 9 1 1 A 28 28 VAL H H 28 8.285 8.265 0.020 1
1 225 . 9 1 1 A 28 28 VAL HA H 28 3.813 3.729 0.084 1
1 233 . 9 1 1 A 28 28 VAL N N 28 118.134 119.689 -1.555 1
1 234 . 9 1 1 A 29 29 MET H H 29 8.030 8.050 -0.020 1
1 235 . 9 1 1 A 29 29 MET HA H 29 4.422 4.370 0.052 1
1 243 . 9 1 1 A 29 29 MET N N 29 112.840 118.205 -5.365 1
1 244 . 9 1 1 A 30 30 LYS H H 30 7.320 7.688 -0.368 1
1 245 . 9 1 1 A 30 30 LYS HA H 30 4.304 4.572 -0.268 1
1 254 . 9 1 1 A 30 30 LYS N N 30 116.038 117.669 -1.631 1
1 255 . 9 1 1 A 31 31 ASP H H 31 7.495 7.413 0.082 1
1 256 . 9 1 1 A 31 31 ASP HA H 31 4.594 4.722 -0.128 1
1 259 . 9 1 1 A 31 31 ASP N N 31 122.944 122.318 0.626 1
1 260 . 9 1 1 A 32 32 GLN H H 32 9.076 8.858 0.218 1
1 261 . 9 1 1 A 32 32 GLN HA H 32 4.029 4.110 -0.081 1
1 268 . 9 1 1 A 32 32 GLN N N 32 126.326 124.951 1.375 1
1 270 . 9 1 1 A 33 33 ASP H H 33 8.456 7.691 0.765 1
1 271 . 9 1 1 A 33 33 ASP HA H 33 4.671 4.659 0.012 1
1 274 . 9 1 1 A 33 33 ASP N N 33 122.586 120.310 2.276 1
1 275 . 9 1 1 A 34 34 VAL H H 34 9.317 8.283 1.034 1
1 276 . 9 1 1 A 34 34 VAL HA H 34 3.521 3.604 -0.083 1
1 284 . 9 1 1 A 34 34 VAL N N 34 124.689 120.727 3.962 1
1 285 . 9 1 1 A 35 35 GLN H H 35 8.633 8.306 0.327 1
1 286 . 9 1 1 A 35 35 GLN HA H 35 3.901 3.994 -0.093 1
1 293 . 9 1 1 A 35 35 GLN N N 35 117.209 118.882 -1.673 1
1 295 . 9 1 1 A 36 36 ALA H H 36 7.935 7.835 0.100 1
1 296 . 9 1 1 A 36 36 ALA HA H 36 4.211 4.172 0.039 1
1 300 . 9 1 1 A 36 36 ALA N N 36 121.503 122.258 -0.755 1
1 301 . 9 1 1 A 37 37 PHE H H 37 7.862 7.838 0.024 1
1 302 . 9 1 1 A 37 37 PHE HA H 37 4.357 4.334 0.023 1
1 310 . 9 1 1 A 37 37 PHE N N 37 121.040 119.238 1.802 1
1 311 . 9 1 1 A 38 38 LEU H H 38 8.848 8.693 0.155 1
1 312 . 9 1 1 A 38 38 LEU HA H 38 3.581 3.727 -0.146 1
1 322 . 9 1 1 A 38 38 LEU N N 38 120.561 119.500 1.061 1
1 323 . 9 1 1 A 39 39 LYS H H 39 7.885 8.030 -0.145 1
1 324 . 9 1 1 A 39 39 LYS HA H 39 4.142 4.066 0.076 1
1 333 . 9 1 1 A 39 39 LYS N N 39 118.613 119.150 -0.537 1
1 334 . 9 1 1 A 40 40 GLU H H 40 8.134 7.671 0.463 1
1 335 . 9 1 1 A 40 40 GLU HA H 40 4.054 3.986 0.068 1
1 340 . 9 1 1 A 40 40 GLU N N 40 119.387 119.679 -0.292 1
1 341 . 9 1 1 A 41 41 ASN H H 41 7.089 7.436 -0.347 1
1 342 . 9 1 1 A 41 41 ASN HA H 41 4.933 4.958 -0.025 1
1 347 . 9 1 1 A 41 41 ASN N N 41 114.032 115.572 -1.540 1
1 349 . 9 1 1 A 42 42 GLU H H 42 7.086 8.159 -1.073 1
1 350 . 9 1 1 A 42 42 GLU HA H 42 3.957 3.956 0.001 1
1 355 . 9 1 1 A 42 42 GLU N N 42 121.023 118.952 2.071 1
1 356 . 9 1 1 A 43 43 GLU H H 43 8.648 7.744 0.904 1
1 357 . 9 1 1 A 43 43 GLU HA H 43 4.207 4.094 0.113 1
1 362 . 9 1 1 A 43 43 GLU N N 43 115.965 120.496 -4.531 1
1 363 . 9 1 1 A 44 44 VAL H H 44 7.526 7.321 0.205 1
1 364 . 9 1 1 A 44 44 VAL HA H 44 4.445 4.014 0.431 1
1 372 . 9 1 1 A 44 44 VAL N N 44 110.987 117.717 -6.730 1
1 373 . 9 1 1 A 45 45 ILE H H 45 7.246 7.876 -0.630 1
1 374 . 9 1 1 A 45 45 ILE HA H 45 4.531 4.172 0.359 1
1 384 . 9 1 1 A 45 45 ILE N N 45 119.815 119.785 0.030 1
1 385 . 9 1 1 A 46 46 ASP H H 46 7.351 8.240 -0.889 1
1 386 . 9 1 1 A 46 46 ASP HA H 46 4.958 5.030 -0.072 1
1 389 . 9 1 1 A 46 46 ASP N N 46 124.659 126.457 -1.798 1
1 390 . 9 1 1 A 47 47 GLN H H 47 8.504 8.949 -0.445 1
1 391 . 9 1 1 A 47 47 GLN HA H 47 3.949 3.937 0.012 1
1 398 . 9 1 1 A 47 47 GLN N N 47 117.654 123.638 -5.984 1
1 400 . 9 1 1 A 48 48 LYS H H 48 8.030 8.221 -0.191 1
1 401 . 9 1 1 A 48 48 LYS HA H 48 4.132 4.044 0.088 1
1 410 . 9 1 1 A 48 48 LYS N N 48 119.335 119.489 -0.154 1
1 411 . 9 1 1 A 49 49 MET H H 49 8.250 8.204 0.046 1
1 412 . 9 1 1 A 49 49 MET HA H 49 4.132 4.202 -0.070 1
1 420 . 9 1 1 A 49 49 MET N N 49 120.061 118.797 1.264 1
1 421 . 9 1 1 A 50 50 ILE H H 50 7.726 7.899 -0.173 1
1 422 . 9 1 1 A 50 50 ILE HA H 50 3.379 3.617 -0.238 1
1 432 . 9 1 1 A 50 50 ILE N N 50 120.912 119.805 1.107 1
1 433 . 9 1 1 A 51 51 GLU H H 51 8.044 7.882 0.162 1
1 434 . 9 1 1 A 51 51 GLU HA H 51 3.906 3.989 -0.083 1
1 439 . 9 1 1 A 51 51 GLU N N 51 117.413 118.936 -1.523 1
1 440 . 9 1 1 A 52 52 LYS H H 52 8.249 8.286 -0.037 1
1 441 . 9 1 1 A 52 52 LYS HA H 52 4.318 4.165 0.153 1
1 450 . 9 1 1 A 52 52 LYS N N 52 117.183 120.274 -3.091 1
1 451 . 9 1 1 A 53 53 SER H H 53 7.664 7.454 0.210 1
1 452 . 9 1 1 A 53 53 SER HA H 53 5.067 4.871 0.196 1
1 455 . 9 1 1 A 53 53 SER N N 53 113.070 112.357 0.713 1
1 456 . 9 1 1 A 54 54 LEU H H 54 7.375 7.114 0.261 1
1 457 . 9 1 1 A 54 54 LEU HA H 54 3.980 3.961 0.019 1
1 467 . 9 1 1 A 54 54 LEU N N 54 123.828 123.258 0.570 1
1 468 . 9 1 1 A 55 55 ASN H H 55 8.705 8.736 -0.031 1
1 469 . 9 1 1 A 55 55 ASN HA H 55 4.434 4.478 -0.044 1
1 474 . 9 1 1 A 55 55 ASN N N 55 114.672 116.590 -1.918 1
1 476 . 9 1 1 A 56 56 LYS H H 56 7.685 7.735 -0.050 1
1 477 . 9 1 1 A 56 56 LYS HA H 56 4.289 4.141 0.148 1
1 486 . 9 1 1 A 56 56 LYS N N 56 121.417 119.919 1.498 1
1 487 . 9 1 1 A 57 57 LEU H H 57 8.120 8.728 -0.608 1
1 488 . 9 1 1 A 57 57 LEU HA H 57 3.948 3.980 -0.032 1
1 498 . 9 1 1 A 57 57 LEU N N 57 118.616 119.323 -0.707 1
1 499 . 9 1 1 A 58 58 TYR H H 58 8.659 8.753 -0.094 1
1 500 . 9 1 1 A 58 58 TYR HA H 58 4.124 4.093 0.031 1
1 507 . 9 1 1 A 58 58 TYR N N 58 119.812 119.078 0.734 1
1 508 . 9 1 1 A 59 59 GLU H H 59 7.999 8.310 -0.311 1
1 509 . 9 1 1 A 59 59 GLU HA H 59 3.945 3.971 -0.026 1
1 514 . 9 1 1 A 59 59 GLU N N 59 118.851 119.558 -0.707 1
1 515 . 9 1 1 A 60 60 TYR H H 60 8.132 8.238 -0.106 1
1 516 . 9 1 1 A 60 60 TYR HA H 60 4.056 4.101 -0.045 1
1 523 . 9 1 1 A 60 60 TYR N N 60 118.616 120.871 -2.255 1
1 524 . 9 1 1 A 61 61 ILE H H 61 7.985 7.617 0.368 1
1 525 . 9 1 1 A 61 61 ILE HA H 61 3.638 3.494 0.144 1
1 535 . 9 1 1 A 61 61 ILE N N 61 115.242 117.535 -2.293 1
1 536 . 9 1 1 A 62 62 GLU H H 62 7.409 7.619 -0.210 1
1 537 . 9 1 1 A 62 62 GLU HA H 62 4.056 4.082 -0.026 1
1 542 . 9 1 1 A 62 62 GLU N N 62 118.370 119.805 -1.435 1
1 543 . 9 1 1 A 63 63 GLN H H 63 7.320 7.305 0.015 1
1 544 . 9 1 1 A 63 63 GLN HA H 63 4.583 4.461 0.122 1
1 551 . 9 1 1 A 63 63 GLN N N 63 118.398 118.601 -0.203 1
1 553 . 9 1 1 A 64 64 SER H H 64 8.134 8.638 -0.504 1
1 554 . 9 1 1 A 64 64 SER HA H 64 4.122 4.519 -0.397 1
1 557 . 9 1 1 A 64 64 SER N N 64 115.490 114.636 0.854 1
1 558 . 9 1 1 A 65 65 LYS H H 65 8.663 7.961 0.702 1
1 559 . 9 1 1 A 65 65 LYS HA H 65 4.132 3.738 0.394 1
1 562 . 9 1 1 A 65 65 LYS N N 65 122.473 126.882 -4.409 1
1 563 . 9 1 1 A 66 66 ASN H H 66 8.010 7.663 0.347 1
1 564 . 9 1 1 A 66 66 ASN HA H 66 3.809 4.395 -0.586 1
1 569 . 9 1 1 A 66 66 ASN N N 66 117.420 116.339 1.081 1
1 571 . 9 1 1 A 67 67 CYS H H 67 7.649 8.424 -0.775 1
1 572 . 9 1 1 A 67 67 CYS HA H 67 5.108 4.786 0.322 1
1 575 . 9 1 1 A 67 67 CYS N N 67 116.684 118.203 -1.519 1
1 576 . 9 1 1 A 68 68 SER H H 68 8.891 8.965 -0.074 1
1 577 . 9 1 1 A 68 68 SER HA H 68 4.379 5.025 -0.646 1
1 580 . 9 1 1 A 68 68 SER N N 68 115.241 118.593 -3.352 1
1 581 . 9 1 1 A 69 69 TYR H H 69 9.864 7.904 1.960 1
1 582 . 9 1 1 A 69 69 TYR HA H 69 4.569 4.192 0.377 1
1 589 . 9 1 1 A 69 69 TYR N N 69 124.277 122.608 1.669 1
1 590 . 9 1 1 A 70 70 CYS H H 70 7.841 7.948 -0.107 1
1 591 . 9 1 1 A 70 70 CYS HA H 70 4.920 4.759 0.161 1
1 594 . 9 1 1 A 70 70 CYS N N 70 115.300 114.861 0.439 1
1 595 . 9 1 1 A 71 71 SER H H 71 8.032 8.237 -0.205 1
1 596 . 9 1 1 A 71 71 SER HA H 71 4.673 4.932 -0.259 1
1 599 . 9 1 1 A 71 71 SER N N 71 119.327 116.228 3.099 1
1 600 . 9 1 1 A 72 72 GLU H H 72 8.701 8.860 -0.159 1
1 601 . 9 1 1 A 72 72 GLU HA H 72 4.459 4.444 0.015 1
1 606 . 9 1 1 A 72 72 GLU N N 72 122.947 127.031 -4.084 1
1 607 . 9 1 1 A 73 73 ASP H H 73 8.053 8.262 -0.209 1
1 608 . 9 1 1 A 73 73 ASP HA H 73 4.529 4.699 -0.170 1
1 611 . 9 1 1 A 73 73 ASP N N 73 120.929 125.660 -4.731 1
1 612 . 9 1 1 A 74 74 GLU H H 74 8.754 9.046 -0.292 1
1 613 . 9 1 1 A 74 74 GLU HA H 74 4.251 4.209 0.042 1
1 618 . 9 1 1 A 74 74 GLU N N 74 122.241 126.100 -3.859 1
1 619 . 9 1 1 A 75 75 ASN H H 75 8.564 7.979 0.585 1
1 620 . 9 1 1 A 75 75 ASN HA H 75 4.803 4.646 0.157 1
1 625 . 9 1 1 A 75 75 ASN N N 75 117.681 116.458 1.223 1
1 627 . 9 1 1 A 76 76 CYS H H 76 7.923 8.054 -0.131 1
1 628 . 9 1 1 A 76 76 CYS HA H 76 4.377 4.363 0.014 1
1 631 . 9 1 1 A 76 76 CYS N N 76 120.055 118.093 1.962 1
1 632 . 9 1 1 A 77 77 ASN H H 77 8.717 8.789 -0.072 1
1 633 . 9 1 1 A 77 77 ASN HA H 77 4.759 4.713 0.046 1
1 638 . 9 1 1 A 77 77 ASN N N 77 122.469 125.541 -3.072 1
1 640 . 9 1 1 A 78 78 ASN H H 78 8.564 8.224 0.340 1
1 641 . 9 1 1 A 78 78 ASN HA H 78 4.772 5.237 -0.465 1
1 646 . 9 1 1 A 78 78 ASN N N 78 121.986 125.079 -3.093 1
1 648 . 9 1 1 A 79 79 LEU H H 79 8.160 8.087 0.073 1
1 649 . 9 1 1 A 79 79 LEU HA H 79 4.282 4.265 0.017 1
1 659 . 9 1 1 A 79 79 LEU N N 79 122.221 128.270 -6.049 1
1 660 . 9 1 1 A 80 80 LEU H H 80 8.034 7.678 0.356 1
1 661 . 9 1 1 A 80 80 LEU HA H 80 4.391 4.236 0.155 1
1 671 . 9 1 1 A 80 80 LEU N N 80 121.024 119.430 1.594 1
1 672 . 9 1 1 A 81 81 GLU H H 81 8.105 8.740 -0.635 1
1 673 . 9 1 1 A 81 81 GLU HA H 81 4.298 4.656 -0.358 1
1 678 . 9 1 1 A 81 81 GLU N N 81 122.466 125.390 -2.924 1
1 679 . 9 1 1 A 82 82 GLY H H 82 8.274 8.926 -0.652 1
1 680 . 9 1 1 A 82 82 GLY HA2 H 82 3.852 3.924 -0.072 1
1 681 . 9 1 1 A 82 82 GLY HA3 H 82 3.988 4.007 -0.019 1
1 682 . 9 1 1 A 82 82 GLY N N 82 112.347 113.658 -1.311 1
1 683 . 9 1 1 A 83 83 TYR H H 83 7.850 8.038 -0.188 1
1 684 . 9 1 1 A 83 83 TYR HA H 83 5.113 5.326 -0.213 1
1 691 . 9 1 1 A 83 83 TYR N N 83 118.873 119.267 -0.394 1
1 692 . 9 1 1 A 84 84 HIS H H 84 9.473 8.962 0.511 1
1 693 . 9 1 1 A 84 84 HIS HA H 84 5.117 4.847 0.270 1
1 698 . 9 1 1 A 84 84 HIS N N 84 120.297 118.344 1.953 1
1 699 . 9 1 1 A 85 85 PRO HA H 85 4.678 3.814 0.864 1
1 706 . 9 1 1 A 86 86 LYS H H 86 9.027 8.868 0.159 1
1 707 . 9 1 1 A 86 86 LYS HA H 86 4.709 4.858 -0.149 1
1 716 . 9 1 1 A 86 86 LYS N N 86 119.573 122.790 -3.217 1
1 717 . 9 1 1 A 87 87 LEU H H 87 7.785 8.217 -0.432 1
1 718 . 9 1 1 A 87 87 LEU HA H 87 4.414 4.416 -0.002 1
1 727 . 9 1 1 A 87 87 LEU N N 87 123.673 126.972 -3.299 1
1 728 . 9 1 1 A 88 88 VAL H H 88 8.443 8.749 -0.306 1
1 729 . 9 1 1 A 88 88 VAL HA H 88 4.616 4.931 -0.315 1
1 737 . 9 1 1 A 88 88 VAL N N 88 115.720 117.316 -1.596 1
1 738 . 9 1 1 A 89 89 VAL H H 89 8.621 9.076 -0.455 1
1 739 . 9 1 1 A 89 89 VAL HA H 89 4.471 4.822 -0.351 1
1 747 . 9 1 1 A 89 89 VAL N N 89 122.477 124.937 -2.460 1
1 748 . 9 1 1 A 90 90 ASN H H 90 8.721 9.309 -0.588 1
1 749 . 9 1 1 A 90 90 ASN HA H 90 5.020 5.052 -0.032 1
1 754 . 9 1 1 A 90 90 ASN N N 90 127.524 126.909 0.615 1
1 756 . 9 1 1 A 91 91 GLY H H 91 9.006 8.928 0.078 1
1 757 . 9 1 1 A 91 91 GLY HA2 H 91 3.639 3.876 -0.237 1
1 758 . 9 1 1 A 91 91 GLY HA3 H 91 3.993 3.878 0.115 1
1 759 . 9 1 1 A 91 91 GLY N N 91 115.517 115.880 -0.363 1
1 760 . 9 1 1 A 92 92 ARG H H 92 8.675 8.610 0.065 1
1 761 . 9 1 1 A 92 92 ARG HA H 92 4.530 4.385 0.145 1
1 768 . 9 1 1 A 92 92 ARG N N 92 125.836 126.534 -0.698 1
1 769 . 9 1 1 A 93 93 SER H H 93 7.875 7.633 0.242 1
1 770 . 9 1 1 A 93 93 SER HA H 93 4.707 5.181 -0.474 1
1 773 . 9 1 1 A 93 93 SER N N 93 114.996 112.855 2.141 1
1 774 . 9 1 1 A 94 94 ILE H H 94 7.943 9.115 -1.172 1
1 775 . 9 1 1 A 94 94 ILE HA H 94 4.694 5.141 -0.447 1
1 785 . 9 1 1 A 94 94 ILE N N 94 123.668 121.918 1.750 1
1 786 . 9 1 1 A 95 95 ASP H H 95 8.975 9.248 -0.273 1
1 787 . 9 1 1 A 95 95 ASP HA H 95 4.995 5.384 -0.389 1
1 790 . 9 1 1 A 95 95 ASP N N 95 128.002 126.791 1.211 1
1 791 . 9 1 1 A 96 96 ILE H H 96 8.672 8.730 -0.058 1
1 792 . 9 1 1 A 96 96 ILE HA H 96 4.669 5.141 -0.472 1
1 802 . 9 1 1 A 96 96 ILE N N 96 118.150 120.569 -2.419 1
1 803 . 9 1 1 A 97 97 GLU H H 97 8.990 9.236 -0.246 1
1 804 . 9 1 1 A 97 97 GLU HA H 97 4.604 4.964 -0.360 1
1 809 . 9 1 1 A 97 97 GLU N N 97 128.072 127.043 1.029 1
1 810 . 9 1 1 A 98 98 TYR H H 98 8.544 8.849 -0.305 1
1 811 . 9 1 1 A 98 98 TYR HA H 98 5.662 5.440 0.222 1
1 818 . 9 1 1 A 98 98 TYR N N 98 118.130 117.542 0.588 1
1 819 . 9 1 1 A 99 99 TYR H H 99 9.389 8.661 0.728 1
1 820 . 9 1 1 A 99 99 TYR HA H 99 5.258 5.800 -0.542 1
1 827 . 9 1 1 A 99 99 TYR N N 99 121.021 121.884 -0.863 1
1 828 . 9 1 1 A 100 100 GLU H H 100 8.942 8.257 0.685 1
1 829 . 9 1 1 A 100 100 GLU HA H 100 3.495 3.348 0.147 1
1 834 . 9 1 1 A 100 100 GLU N N 100 122.954 120.023 2.931 1
1 835 . 9 1 1 A 101 101 CYS H H 101 7.742 8.929 -1.187 1
1 836 . 9 1 1 A 101 101 CYS HA H 101 3.342 4.162 -0.820 1
1 839 . 9 1 1 A 101 101 CYS N N 101 125.649 122.531 3.118 1
1 840 . 9 1 1 A 102 102 PRO HA H 102 4.415 4.385 0.030 1
1 847 . 9 1 1 A 103 103 VAL H H 103 8.493 7.874 0.619 1
1 848 . 9 1 1 A 103 103 VAL HA H 103 3.990 3.986 0.004 1
1 856 . 9 1 1 A 103 103 VAL N N 103 121.026 117.485 3.541 1
1 857 . 9 1 1 A 104 104 LYS H H 104 7.585 7.817 -0.232 1
1 858 . 9 1 1 A 104 104 LYS HA H 104 3.972 4.243 -0.271 1
1 867 . 9 1 1 A 104 104 LYS N N 104 122.941 119.546 3.395 1
1 868 . 9 1 1 A 105 105 ARG H H 105 7.848 7.572 0.276 1
1 869 . 9 1 1 A 105 105 ARG HA H 105 4.276 4.641 -0.365 1
1 876 . 9 1 1 A 105 105 ARG N N 105 121.986 117.240 4.746 1
1 6 . 10 1 1 A 2 2 GLU HA H 2 4.671 4.414 0.257 1
1 11 . 10 1 1 A 3 3 PRO HA H 3 4.473 4.699 -0.226 1
1 18 . 10 1 1 A 4 4 ILE H H 4 8.270 8.109 0.161 1
1 19 . 10 1 1 A 4 4 ILE HA H 4 4.156 4.572 -0.416 1
1 29 . 10 1 1 A 4 4 ILE N N 4 121.501 123.224 -1.723 1
1 30 . 10 1 1 A 5 5 GLY H H 5 8.516 8.652 -0.136 1
1 31 . 10 1 1 A 5 5 GLY HA2 H 5 3.952 3.911 0.041 1
1 32 . 10 1 1 A 5 5 GLY HA3 H 5 3.992 3.911 0.081 1
1 33 . 10 1 1 A 5 5 GLY N N 5 112.831 115.853 -3.022 1
1 34 . 10 1 1 A 6 6 ARG H H 6 8.197 7.666 0.531 1
1 35 . 10 1 1 A 6 6 ARG HA H 6 4.383 4.440 -0.057 1
1 42 . 10 1 1 A 6 6 ARG N N 6 121.014 119.811 1.203 1
1 43 . 10 1 1 A 7 7 SER H H 7 8.400 8.078 0.322 1
1 44 . 10 1 1 A 7 7 SER HA H 7 4.472 5.054 -0.582 1
1 47 . 10 1 1 A 7 7 SER N N 7 116.921 118.508 -1.587 1
1 48 . 10 1 1 A 8 8 LEU H H 8 8.376 8.416 -0.040 1
1 49 . 10 1 1 A 8 8 LEU HA H 8 4.390 4.666 -0.276 1
1 59 . 10 1 1 A 8 8 LEU N N 8 124.394 119.238 5.156 1
1 60 . 10 1 1 A 9 9 GLN H H 9 8.292 7.999 0.293 1
1 61 . 10 1 1 A 9 9 GLN HA H 9 4.323 4.503 -0.180 1
1 68 . 10 1 1 A 9 9 GLN N N 9 120.593 117.067 3.526 1
1 70 . 10 1 1 A 10 10 GLY H H 10 8.417 7.846 0.571 1
1 71 . 10 1 1 A 10 10 GLY HA2 H 10 3.992 4.166 -0.174 1
1 72 . 10 1 1 A 10 10 GLY HA3 H 10 3.992 4.166 -0.174 1
1 73 . 10 1 1 A 10 10 GLY N N 10 110.179 108.026 2.153 1
1 74 . 10 1 1 A 11 11 VAL H H 11 8.040 8.560 -0.520 1
1 75 . 10 1 1 A 11 11 VAL HA H 11 4.208 4.139 0.069 1
1 83 . 10 1 1 A 11 11 VAL N N 11 119.334 125.669 -6.335 1
1 84 . 10 1 1 A 12 12 THR H H 12 8.210 8.519 -0.309 1
1 85 . 10 1 1 A 12 12 THR HA H 12 4.285 5.100 -0.815 1
1 90 . 10 1 1 A 12 12 THR N N 12 117.160 116.957 0.203 1
1 91 . 10 1 1 A 13 13 GLY H H 13 8.388 8.566 -0.178 1
1 92 . 10 1 1 A 13 13 GLY HA2 H 13 3.988 4.066 -0.078 1
1 93 . 10 1 1 A 13 13 GLY HA3 H 13 4.027 4.067 -0.040 1
1 94 . 10 1 1 A 13 13 GLY N N 13 111.151 108.214 2.937 1
1 95 . 10 1 1 A 14 14 ARG H H 14 8.169 8.386 -0.217 1
1 96 . 10 1 1 A 14 14 ARG HA H 14 4.668 4.927 -0.259 1
1 103 . 10 1 1 A 14 14 ARG N N 14 121.499 120.785 0.714 1
1 104 . 10 1 1 A 15 15 PRO HA H 15 4.426 4.610 -0.184 1
1 111 . 10 1 1 A 16 16 ASP H H 16 8.475 8.764 -0.289 1
1 112 . 10 1 1 A 16 16 ASP HA H 16 4.556 4.322 0.234 1
1 115 . 10 1 1 A 16 16 ASP N N 16 119.586 123.489 -3.903 1
1 116 . 10 1 1 A 17 17 PHE H H 17 8.179 8.382 -0.203 1
1 117 . 10 1 1 A 17 17 PHE HA H 17 4.366 4.096 0.270 1
1 125 . 10 1 1 A 17 17 PHE N N 17 121.747 122.670 -0.923 1
1 126 . 10 1 1 A 18 18 GLN H H 18 8.200 8.523 -0.323 1
1 127 . 10 1 1 A 18 18 GLN HA H 18 3.998 3.948 0.050 1
1 134 . 10 1 1 A 18 18 GLN N N 18 119.816 117.545 2.271 1
1 136 . 10 1 1 A 19 19 LYS H H 19 7.986 7.442 0.544 1
1 137 . 10 1 1 A 19 19 LYS HA H 19 4.126 4.104 0.022 1
1 146 . 10 1 1 A 19 19 LYS N N 19 120.081 119.383 0.698 1
1 147 . 10 1 1 A 20 20 ARG H H 20 7.918 8.472 -0.554 1
1 148 . 10 1 1 A 20 20 ARG HA H 20 4.125 4.016 0.109 1
1 155 . 10 1 1 A 20 20 ARG N N 20 118.851 118.415 0.436 1
1 156 . 10 1 1 A 21 21 LEU H H 21 7.954 7.937 0.017 1
1 157 . 10 1 1 A 21 21 LEU HA H 21 4.127 3.762 0.365 1
1 167 . 10 1 1 A 21 21 LEU N N 21 121.258 122.404 -1.146 1
1 168 . 10 1 1 A 22 22 GLU H H 22 8.169 8.132 0.037 1
1 169 . 10 1 1 A 22 22 GLU HA H 22 3.981 3.867 0.114 1
1 174 . 10 1 1 A 22 22 GLU N N 22 119.093 117.971 1.122 1
1 175 . 10 1 1 A 23 23 GLN H H 23 8.015 7.689 0.326 1
1 176 . 10 1 1 A 23 23 GLN HA H 23 4.174 4.067 0.107 1
1 183 . 10 1 1 A 23 23 GLN N N 23 119.335 119.626 -0.291 1
1 185 . 10 1 1 A 24 24 MET H H 24 8.209 8.615 -0.406 1
1 186 . 10 1 1 A 24 24 MET HA H 24 4.005 4.104 -0.099 1
1 194 . 10 1 1 A 24 24 MET N N 24 119.750 118.432 1.318 1
1 195 . 10 1 1 A 25 25 LYS H H 25 8.387 7.942 0.445 1
1 196 . 10 1 1 A 25 25 LYS HA H 25 3.797 3.935 -0.138 1
1 205 . 10 1 1 A 25 25 LYS N N 25 119.097 120.406 -1.309 1
1 206 . 10 1 1 A 26 26 GLU H H 26 7.936 8.199 -0.263 1
1 207 . 10 1 1 A 26 26 GLU HA H 26 3.989 4.015 -0.026 1
1 212 . 10 1 1 A 26 26 GLU N N 26 117.895 118.443 -0.548 1
1 213 . 10 1 1 A 27 27 LYS H H 27 7.608 7.995 -0.387 1
1 214 . 10 1 1 A 27 27 LYS HA H 27 4.027 4.116 -0.089 1
1 223 . 10 1 1 A 27 27 LYS N N 27 117.438 118.434 -0.996 1
1 224 . 10 1 1 A 28 28 VAL H H 28 8.285 8.019 0.266 1
1 225 . 10 1 1 A 28 28 VAL HA H 28 3.813 3.688 0.125 1
1 233 . 10 1 1 A 28 28 VAL N N 28 118.134 119.281 -1.147 1
1 234 . 10 1 1 A 29 29 MET H H 29 8.030 8.127 -0.097 1
1 235 . 10 1 1 A 29 29 MET HA H 29 4.422 4.439 -0.017 1
1 243 . 10 1 1 A 29 29 MET N N 29 112.840 117.439 -4.599 1
1 244 . 10 1 1 A 30 30 LYS H H 30 7.320 7.542 -0.222 1
1 245 . 10 1 1 A 30 30 LYS HA H 30 4.304 4.412 -0.108 1
1 254 . 10 1 1 A 30 30 LYS N N 30 116.038 116.687 -0.649 1
1 255 . 10 1 1 A 31 31 ASP H H 31 7.495 7.430 0.065 1
1 256 . 10 1 1 A 31 31 ASP HA H 31 4.594 4.730 -0.136 1
1 259 . 10 1 1 A 31 31 ASP N N 31 122.944 122.072 0.872 1
1 260 . 10 1 1 A 32 32 GLN H H 32 9.076 8.869 0.207 1
1 261 . 10 1 1 A 32 32 GLN HA H 32 4.029 4.109 -0.080 1
1 268 . 10 1 1 A 32 32 GLN N N 32 126.326 125.059 1.267 1
1 270 . 10 1 1 A 33 33 ASP H H 33 8.456 7.680 0.776 1
1 271 . 10 1 1 A 33 33 ASP HA H 33 4.671 4.665 0.006 1
1 274 . 10 1 1 A 33 33 ASP N N 33 122.586 120.354 2.232 1
1 275 . 10 1 1 A 34 34 VAL H H 34 9.317 8.659 0.658 1
1 276 . 10 1 1 A 34 34 VAL HA H 34 3.521 3.553 -0.032 1
1 284 . 10 1 1 A 34 34 VAL N N 34 124.689 120.485 4.204 1
1 285 . 10 1 1 A 35 35 GLN H H 35 8.633 7.890 0.743 1
1 286 . 10 1 1 A 35 35 GLN HA H 35 3.901 4.090 -0.189 1
1 293 . 10 1 1 A 35 35 GLN N N 35 117.209 118.301 -1.092 1
1 295 . 10 1 1 A 36 36 ALA H H 36 7.935 7.724 0.211 1
1 296 . 10 1 1 A 36 36 ALA HA H 36 4.211 4.142 0.069 1
1 300 . 10 1 1 A 36 36 ALA N N 36 121.503 122.780 -1.277 1
1 301 . 10 1 1 A 37 37 PHE H H 37 7.862 7.994 -0.132 1
1 302 . 10 1 1 A 37 37 PHE HA H 37 4.357 4.338 0.019 1
1 310 . 10 1 1 A 37 37 PHE N N 37 121.040 119.605 1.435 1
1 311 . 10 1 1 A 38 38 LEU H H 38 8.848 8.808 0.040 1
1 312 . 10 1 1 A 38 38 LEU HA H 38 3.581 3.680 -0.099 1
1 322 . 10 1 1 A 38 38 LEU N N 38 120.561 119.209 1.352 1
1 323 . 10 1 1 A 39 39 LYS H H 39 7.885 8.352 -0.467 1
1 324 . 10 1 1 A 39 39 LYS HA H 39 4.142 3.980 0.162 1
1 333 . 10 1 1 A 39 39 LYS N N 39 118.613 118.563 0.050 1
1 334 . 10 1 1 A 40 40 GLU H H 40 8.134 7.638 0.496 1
1 335 . 10 1 1 A 40 40 GLU HA H 40 4.054 4.027 0.027 1
1 340 . 10 1 1 A 40 40 GLU N N 40 119.387 119.846 -0.459 1
1 341 . 10 1 1 A 41 41 ASN H H 41 7.089 7.437 -0.348 1
1 342 . 10 1 1 A 41 41 ASN HA H 41 4.933 4.917 0.016 1
1 347 . 10 1 1 A 41 41 ASN N N 41 114.032 116.343 -2.311 1
1 349 . 10 1 1 A 42 42 GLU H H 42 7.086 8.243 -1.157 1
1 350 . 10 1 1 A 42 42 GLU HA H 42 3.957 3.953 0.004 1
1 355 . 10 1 1 A 42 42 GLU N N 42 121.023 119.312 1.711 1
1 356 . 10 1 1 A 43 43 GLU H H 43 8.648 7.785 0.863 1
1 357 . 10 1 1 A 43 43 GLU HA H 43 4.207 4.095 0.112 1
1 362 . 10 1 1 A 43 43 GLU N N 43 115.965 120.089 -4.124 1
1 363 . 10 1 1 A 44 44 VAL H H 44 7.526 7.238 0.288 1
1 364 . 10 1 1 A 44 44 VAL HA H 44 4.445 4.104 0.341 1
1 372 . 10 1 1 A 44 44 VAL N N 44 110.987 117.232 -6.245 1
1 373 . 10 1 1 A 45 45 ILE H H 45 7.246 7.565 -0.319 1
1 374 . 10 1 1 A 45 45 ILE HA H 45 4.531 4.083 0.448 1
1 384 . 10 1 1 A 45 45 ILE N N 45 119.815 118.431 1.384 1
1 385 . 10 1 1 A 46 46 ASP H H 46 7.351 8.268 -0.917 1
1 386 . 10 1 1 A 46 46 ASP HA H 46 4.958 5.043 -0.085 1
1 389 . 10 1 1 A 46 46 ASP N N 46 124.659 125.548 -0.889 1
1 390 . 10 1 1 A 47 47 GLN H H 47 8.504 8.968 -0.464 1
1 391 . 10 1 1 A 47 47 GLN HA H 47 3.949 3.896 0.053 1
1 398 . 10 1 1 A 47 47 GLN N N 47 117.654 123.640 -5.986 1
1 400 . 10 1 1 A 48 48 LYS H H 48 8.030 8.077 -0.047 1
1 401 . 10 1 1 A 48 48 LYS HA H 48 4.132 4.025 0.107 1
1 410 . 10 1 1 A 48 48 LYS N N 48 119.335 119.414 -0.079 1
1 411 . 10 1 1 A 49 49 MET H H 49 8.250 8.098 0.152 1
1 412 . 10 1 1 A 49 49 MET HA H 49 4.132 4.188 -0.056 1
1 420 . 10 1 1 A 49 49 MET N N 49 120.061 118.683 1.378 1
1 421 . 10 1 1 A 50 50 ILE H H 50 7.726 7.979 -0.253 1
1 422 . 10 1 1 A 50 50 ILE HA H 50 3.379 3.638 -0.259 1
1 432 . 10 1 1 A 50 50 ILE N N 50 120.912 119.858 1.054 1
1 433 . 10 1 1 A 51 51 GLU H H 51 8.044 8.048 -0.004 1
1 434 . 10 1 1 A 51 51 GLU HA H 51 3.906 3.955 -0.049 1
1 439 . 10 1 1 A 51 51 GLU N N 51 117.413 118.891 -1.478 1
1 440 . 10 1 1 A 52 52 LYS H H 52 8.249 8.053 0.196 1
1 441 . 10 1 1 A 52 52 LYS HA H 52 4.318 4.094 0.224 1
1 450 . 10 1 1 A 52 52 LYS N N 52 117.183 121.306 -4.123 1
1 451 . 10 1 1 A 53 53 SER H H 53 7.664 7.937 -0.273 1
1 452 . 10 1 1 A 53 53 SER HA H 53 5.067 5.128 -0.061 1
1 455 . 10 1 1 A 53 53 SER N N 53 113.070 113.180 -0.110 1
1 456 . 10 1 1 A 54 54 LEU H H 54 7.375 7.686 -0.311 1
1 457 . 10 1 1 A 54 54 LEU HA H 54 3.980 4.068 -0.088 1
1 467 . 10 1 1 A 54 54 LEU N N 54 123.828 123.353 0.475 1
1 468 . 10 1 1 A 55 55 ASN H H 55 8.705 8.877 -0.172 1
1 469 . 10 1 1 A 55 55 ASN HA H 55 4.434 4.479 -0.045 1
1 474 . 10 1 1 A 55 55 ASN N N 55 114.672 115.458 -0.786 1
1 476 . 10 1 1 A 56 56 LYS H H 56 7.685 7.816 -0.131 1
1 477 . 10 1 1 A 56 56 LYS HA H 56 4.289 4.139 0.150 1
1 486 . 10 1 1 A 56 56 LYS N N 56 121.417 119.477 1.940 1
1 487 . 10 1 1 A 57 57 LEU H H 57 8.120 8.364 -0.244 1
1 488 . 10 1 1 A 57 57 LEU HA H 57 3.948 4.025 -0.077 1
1 498 . 10 1 1 A 57 57 LEU N N 57 118.616 119.697 -1.081 1
1 499 . 10 1 1 A 58 58 TYR H H 58 8.659 8.697 -0.038 1
1 500 . 10 1 1 A 58 58 TYR HA H 58 4.124 4.087 0.037 1
1 507 . 10 1 1 A 58 58 TYR N N 58 119.812 119.169 0.643 1
1 508 . 10 1 1 A 59 59 GLU H H 59 7.999 8.681 -0.682 1
1 509 . 10 1 1 A 59 59 GLU HA H 59 3.945 3.997 -0.052 1
1 514 . 10 1 1 A 59 59 GLU N N 59 118.851 119.847 -0.996 1
1 515 . 10 1 1 A 60 60 TYR H H 60 8.132 8.483 -0.351 1
1 516 . 10 1 1 A 60 60 TYR HA H 60 4.056 4.124 -0.068 1
1 523 . 10 1 1 A 60 60 TYR N N 60 118.616 121.157 -2.541 1
1 524 . 10 1 1 A 61 61 ILE H H 61 7.985 7.633 0.352 1
1 525 . 10 1 1 A 61 61 ILE HA H 61 3.638 3.354 0.284 1
1 535 . 10 1 1 A 61 61 ILE N N 61 115.242 117.651 -2.409 1
1 536 . 10 1 1 A 62 62 GLU H H 62 7.409 8.218 -0.809 1
1 537 . 10 1 1 A 62 62 GLU HA H 62 4.056 3.952 0.104 1
1 542 . 10 1 1 A 62 62 GLU N N 62 118.370 123.069 -4.699 1
1 543 . 10 1 1 A 63 63 GLN H H 63 7.320 7.438 -0.118 1
1 544 . 10 1 1 A 63 63 GLN HA H 63 4.583 4.161 0.422 1
1 551 . 10 1 1 A 63 63 GLN N N 63 118.398 117.682 0.716 1
1 553 . 10 1 1 A 64 64 SER H H 64 8.134 7.588 0.546 1
1 554 . 10 1 1 A 64 64 SER HA H 64 4.122 4.735 -0.613 1
1 557 . 10 1 1 A 64 64 SER N N 64 115.490 112.098 3.392 1
1 558 . 10 1 1 A 65 65 LYS H H 65 8.663 8.516 0.147 1
1 559 . 10 1 1 A 65 65 LYS HA H 65 4.132 4.162 -0.030 1
1 562 . 10 1 1 A 65 65 LYS N N 65 122.473 124.762 -2.289 1
1 563 . 10 1 1 A 66 66 ASN H H 66 8.010 7.731 0.279 1
1 564 . 10 1 1 A 66 66 ASN HA H 66 3.809 4.857 -1.048 1
1 569 . 10 1 1 A 66 66 ASN N N 66 117.420 111.827 5.593 1
1 571 . 10 1 1 A 67 67 CYS H H 67 7.649 8.199 -0.550 1
1 572 . 10 1 1 A 67 67 CYS HA H 67 5.108 5.173 -0.065 1
1 575 . 10 1 1 A 67 67 CYS N N 67 116.684 115.406 1.278 1
1 576 . 10 1 1 A 68 68 SER H H 68 8.891 8.938 -0.047 1
1 577 . 10 1 1 A 68 68 SER HA H 68 4.379 4.153 0.226 1
1 580 . 10 1 1 A 68 68 SER N N 68 115.241 117.470 -2.229 1
1 581 . 10 1 1 A 69 69 TYR H H 69 9.864 7.870 1.994 1
1 582 . 10 1 1 A 69 69 TYR HA H 69 4.569 4.537 0.032 1
1 589 . 10 1 1 A 69 69 TYR N N 69 124.277 119.360 4.917 1
1 590 . 10 1 1 A 70 70 CYS H H 70 7.841 8.272 -0.431 1
1 591 . 10 1 1 A 70 70 CYS HA H 70 4.920 4.770 0.150 1
1 594 . 10 1 1 A 70 70 CYS N N 70 115.300 115.906 -0.606 1
1 595 . 10 1 1 A 71 71 SER H H 71 8.032 7.403 0.629 1
1 596 . 10 1 1 A 71 71 SER HA H 71 4.673 4.856 -0.183 1
1 599 . 10 1 1 A 71 71 SER N N 71 119.327 115.524 3.803 1
1 600 . 10 1 1 A 72 72 GLU H H 72 8.701 8.959 -0.258 1
1 601 . 10 1 1 A 72 72 GLU HA H 72 4.459 4.160 0.299 1
1 606 . 10 1 1 A 72 72 GLU N N 72 122.947 124.249 -1.302 1
1 607 . 10 1 1 A 73 73 ASP H H 73 8.053 7.534 0.519 1
1 608 . 10 1 1 A 73 73 ASP HA H 73 4.529 4.689 -0.160 1
1 611 . 10 1 1 A 73 73 ASP N N 73 120.929 119.264 1.665 1
1 612 . 10 1 1 A 74 74 GLU H H 74 8.754 8.465 0.289 1
1 613 . 10 1 1 A 74 74 GLU HA H 74 4.251 4.715 -0.464 1
1 618 . 10 1 1 A 74 74 GLU N N 74 122.241 118.524 3.717 1
1 619 . 10 1 1 A 75 75 ASN H H 75 8.564 8.191 0.373 1
1 620 . 10 1 1 A 75 75 ASN HA H 75 4.803 4.484 0.319 1
1 625 . 10 1 1 A 75 75 ASN N N 75 117.681 119.586 -1.905 1
1 627 . 10 1 1 A 76 76 CYS H H 76 7.923 7.950 -0.027 1
1 628 . 10 1 1 A 76 76 CYS HA H 76 4.377 4.734 -0.357 1
1 631 . 10 1 1 A 76 76 CYS N N 76 120.055 114.502 5.553 1
1 632 . 10 1 1 A 77 77 ASN H H 77 8.717 8.207 0.510 1
1 633 . 10 1 1 A 77 77 ASN HA H 77 4.759 4.545 0.214 1
1 638 . 10 1 1 A 77 77 ASN N N 77 122.469 119.638 2.831 1
1 640 . 10 1 1 A 78 78 ASN H H 78 8.564 7.825 0.739 1
1 641 . 10 1 1 A 78 78 ASN HA H 78 4.772 4.947 -0.175 1
1 646 . 10 1 1 A 78 78 ASN N N 78 121.986 111.521 10.465 1
1 648 . 10 1 1 A 79 79 LEU H H 79 8.160 8.531 -0.371 1
1 649 . 10 1 1 A 79 79 LEU HA H 79 4.282 4.112 0.170 1
1 659 . 10 1 1 A 79 79 LEU N N 79 122.221 122.004 0.217 1
1 660 . 10 1 1 A 80 80 LEU H H 80 8.034 7.899 0.135 1
1 661 . 10 1 1 A 80 80 LEU HA H 80 4.391 4.379 0.012 1
1 671 . 10 1 1 A 80 80 LEU N N 80 121.024 119.882 1.142 1
1 672 . 10 1 1 A 81 81 GLU H H 81 8.105 8.254 -0.149 1
1 673 . 10 1 1 A 81 81 GLU HA H 81 4.298 4.244 0.054 1
1 678 . 10 1 1 A 81 81 GLU N N 81 122.466 124.696 -2.230 1
1 679 . 10 1 1 A 82 82 GLY H H 82 8.274 8.976 -0.702 1
1 680 . 10 1 1 A 82 82 GLY HA2 H 82 3.852 4.173 -0.321 1
1 681 . 10 1 1 A 82 82 GLY HA3 H 82 3.988 4.187 -0.199 1
1 682 . 10 1 1 A 82 82 GLY N N 82 112.347 113.030 -0.683 1
1 683 . 10 1 1 A 83 83 TYR H H 83 7.850 8.030 -0.180 1
1 684 . 10 1 1 A 83 83 TYR HA H 83 5.113 5.382 -0.269 1
1 691 . 10 1 1 A 83 83 TYR N N 83 118.873 119.194 -0.321 1
1 692 . 10 1 1 A 84 84 HIS H H 84 9.473 9.071 0.402 1
1 693 . 10 1 1 A 84 84 HIS HA H 84 5.117 4.775 0.342 1
1 698 . 10 1 1 A 84 84 HIS N N 84 120.297 118.889 1.408 1
1 699 . 10 1 1 A 85 85 PRO HA H 85 4.678 4.476 0.202 1
1 706 . 10 1 1 A 86 86 LYS H H 86 9.027 9.096 -0.069 1
1 707 . 10 1 1 A 86 86 LYS HA H 86 4.709 4.638 0.071 1
1 716 . 10 1 1 A 86 86 LYS N N 86 119.573 123.300 -3.727 1
1 717 . 10 1 1 A 87 87 LEU H H 87 7.785 7.836 -0.051 1
1 718 . 10 1 1 A 87 87 LEU HA H 87 4.414 4.444 -0.030 1
1 727 . 10 1 1 A 87 87 LEU N N 87 123.673 126.662 -2.989 1
1 728 . 10 1 1 A 88 88 VAL H H 88 8.443 9.072 -0.629 1
1 729 . 10 1 1 A 88 88 VAL HA H 88 4.616 4.933 -0.317 1
1 737 . 10 1 1 A 88 88 VAL N N 88 115.720 118.484 -2.764 1
1 738 . 10 1 1 A 89 89 VAL H H 89 8.621 9.083 -0.462 1
1 739 . 10 1 1 A 89 89 VAL HA H 89 4.471 4.707 -0.236 1
1 747 . 10 1 1 A 89 89 VAL N N 89 122.477 124.100 -1.623 1
1 748 . 10 1 1 A 90 90 ASN H H 90 8.721 9.154 -0.433 1
1 749 . 10 1 1 A 90 90 ASN HA H 90 5.020 5.094 -0.074 1
1 754 . 10 1 1 A 90 90 ASN N N 90 127.524 127.531 -0.007 1
1 756 . 10 1 1 A 91 91 GLY H H 91 9.006 8.917 0.089 1
1 757 . 10 1 1 A 91 91 GLY HA2 H 91 3.639 3.874 -0.235 1
1 758 . 10 1 1 A 91 91 GLY HA3 H 91 3.993 3.875 0.118 1
1 759 . 10 1 1 A 91 91 GLY N N 91 115.517 115.831 -0.314 1
1 760 . 10 1 1 A 92 92 ARG H H 92 8.675 8.608 0.067 1
1 761 . 10 1 1 A 92 92 ARG HA H 92 4.530 4.392 0.138 1
1 768 . 10 1 1 A 92 92 ARG N N 92 125.836 126.561 -0.725 1
1 769 . 10 1 1 A 93 93 SER H H 93 7.875 7.671 0.204 1
1 770 . 10 1 1 A 93 93 SER HA H 93 4.707 5.166 -0.459 1
1 773 . 10 1 1 A 93 93 SER N N 93 114.996 112.498 2.498 1
1 774 . 10 1 1 A 94 94 ILE H H 94 7.943 8.626 -0.683 1
1 775 . 10 1 1 A 94 94 ILE HA H 94 4.694 5.012 -0.318 1
1 785 . 10 1 1 A 94 94 ILE N N 94 123.668 124.216 -0.548 1
1 786 . 10 1 1 A 95 95 ASP H H 95 8.975 9.453 -0.478 1
1 787 . 10 1 1 A 95 95 ASP HA H 95 4.995 5.512 -0.517 1
1 790 . 10 1 1 A 95 95 ASP N N 95 128.002 127.394 0.608 1
1 791 . 10 1 1 A 96 96 ILE H H 96 8.672 8.738 -0.066 1
1 792 . 10 1 1 A 96 96 ILE HA H 96 4.669 5.038 -0.369 1
1 802 . 10 1 1 A 96 96 ILE N N 96 118.150 121.592 -3.442 1
1 803 . 10 1 1 A 97 97 GLU H H 97 8.990 9.064 -0.074 1
1 804 . 10 1 1 A 97 97 GLU HA H 97 4.604 4.925 -0.321 1
1 809 . 10 1 1 A 97 97 GLU N N 97 128.072 127.101 0.971 1
1 810 . 10 1 1 A 98 98 TYR H H 98 8.544 8.835 -0.291 1
1 811 . 10 1 1 A 98 98 TYR HA H 98 5.662 5.672 -0.010 1
1 818 . 10 1 1 A 98 98 TYR N N 98 118.130 116.897 1.233 1
1 819 . 10 1 1 A 99 99 TYR H H 99 9.389 8.936 0.453 1
1 820 . 10 1 1 A 99 99 TYR HA H 99 5.258 5.936 -0.678 1
1 827 . 10 1 1 A 99 99 TYR N N 99 121.021 121.542 -0.521 1
1 828 . 10 1 1 A 100 100 GLU H H 100 8.942 8.398 0.544 1
1 829 . 10 1 1 A 100 100 GLU HA H 100 3.495 3.932 -0.437 1
1 834 . 10 1 1 A 100 100 GLU N N 100 122.954 119.954 3.000 1
1 835 . 10 1 1 A 101 101 CYS H H 101 7.742 8.758 -1.016 1
1 836 . 10 1 1 A 101 101 CYS HA H 101 3.342 4.306 -0.964 1
1 839 . 10 1 1 A 101 101 CYS N N 101 125.649 122.813 2.836 1
1 840 . 10 1 1 A 102 102 PRO HA H 102 4.415 4.434 -0.019 1
1 847 . 10 1 1 A 103 103 VAL H H 103 8.493 7.374 1.119 1
1 848 . 10 1 1 A 103 103 VAL HA H 103 3.990 3.867 0.123 1
1 856 . 10 1 1 A 103 103 VAL N N 103 121.026 116.685 4.341 1
1 857 . 10 1 1 A 104 104 LYS H H 104 7.585 8.078 -0.493 1
1 858 . 10 1 1 A 104 104 LYS HA H 104 3.972 4.039 -0.067 1
1 867 . 10 1 1 A 104 104 LYS N N 104 122.941 119.213 3.728 1
1 868 . 10 1 1 A 105 105 ARG H H 105 7.848 7.425 0.423 1
1 869 . 10 1 1 A 105 105 ARG HA H 105 4.276 4.801 -0.525 1
1 876 . 10 1 1 A 105 105 ARG N N 105 121.986 117.043 4.943 1
1 6 . 11 1 1 A 2 2 GLU HA H 2 4.671 4.501 0.170 1
1 11 . 11 1 1 A 3 3 PRO HA H 3 4.473 4.438 0.035 1
1 18 . 11 1 1 A 4 4 ILE H H 4 8.270 8.155 0.115 1
1 19 . 11 1 1 A 4 4 ILE HA H 4 4.156 4.081 0.075 1
1 29 . 11 1 1 A 4 4 ILE N N 4 121.501 124.240 -2.739 1
1 30 . 11 1 1 A 5 5 GLY H H 5 8.516 8.695 -0.179 1
1 31 . 11 1 1 A 5 5 GLY HA2 H 5 3.952 4.301 -0.349 1
1 32 . 11 1 1 A 5 5 GLY HA3 H 5 3.992 4.301 -0.309 1
1 33 . 11 1 1 A 5 5 GLY N N 5 112.831 115.436 -2.605 1
1 34 . 11 1 1 A 6 6 ARG H H 6 8.197 8.616 -0.419 1
1 35 . 11 1 1 A 6 6 ARG HA H 6 4.383 4.689 -0.306 1
1 42 . 11 1 1 A 6 6 ARG N N 6 121.014 125.659 -4.645 1
1 43 . 11 1 1 A 7 7 SER H H 7 8.400 8.871 -0.471 1
1 44 . 11 1 1 A 7 7 SER HA H 7 4.472 4.238 0.234 1
1 47 . 11 1 1 A 7 7 SER N N 7 116.921 120.674 -3.753 1
1 48 . 11 1 1 A 8 8 LEU H H 8 8.376 7.917 0.459 1
1 49 . 11 1 1 A 8 8 LEU HA H 8 4.390 4.512 -0.122 1
1 59 . 11 1 1 A 8 8 LEU N N 8 124.394 121.211 3.183 1
1 60 . 11 1 1 A 9 9 GLN H H 9 8.292 8.768 -0.476 1
1 61 . 11 1 1 A 9 9 GLN HA H 9 4.323 4.197 0.126 1
1 68 . 11 1 1 A 9 9 GLN N N 9 120.593 126.472 -5.879 1
1 70 . 11 1 1 A 10 10 GLY H H 10 8.417 7.856 0.561 1
1 71 . 11 1 1 A 10 10 GLY HA2 H 10 3.992 4.290 -0.298 1
1 72 . 11 1 1 A 10 10 GLY HA3 H 10 3.992 4.290 -0.298 1
1 73 . 11 1 1 A 10 10 GLY N N 10 110.179 106.801 3.378 1
1 74 . 11 1 1 A 11 11 VAL H H 11 8.040 9.076 -1.036 1
1 75 . 11 1 1 A 11 11 VAL HA H 11 4.208 4.067 0.141 1
1 83 . 11 1 1 A 11 11 VAL N N 11 119.334 126.816 -7.482 1
1 84 . 11 1 1 A 12 12 THR H H 12 8.210 8.335 -0.125 1
1 85 . 11 1 1 A 12 12 THR HA H 12 4.285 4.298 -0.013 1
1 90 . 11 1 1 A 12 12 THR N N 12 117.160 123.323 -6.163 1
1 91 . 11 1 1 A 13 13 GLY H H 13 8.388 7.837 0.551 1
1 92 . 11 1 1 A 13 13 GLY HA2 H 13 3.988 4.067 -0.079 1
1 93 . 11 1 1 A 13 13 GLY HA3 H 13 4.027 4.067 -0.040 1
1 94 . 11 1 1 A 13 13 GLY N N 13 111.151 108.301 2.850 1
1 95 . 11 1 1 A 14 14 ARG H H 14 8.169 8.568 -0.399 1
1 96 . 11 1 1 A 14 14 ARG HA H 14 4.668 4.991 -0.323 1
1 103 . 11 1 1 A 14 14 ARG N N 14 121.499 124.377 -2.878 1
1 104 . 11 1 1 A 15 15 PRO HA H 15 4.426 4.577 -0.151 1
1 111 . 11 1 1 A 16 16 ASP H H 16 8.475 8.776 -0.301 1
1 112 . 11 1 1 A 16 16 ASP HA H 16 4.556 4.312 0.244 1
1 115 . 11 1 1 A 16 16 ASP N N 16 119.586 123.892 -4.306 1
1 116 . 11 1 1 A 17 17 PHE H H 17 8.179 8.366 -0.187 1
1 117 . 11 1 1 A 17 17 PHE HA H 17 4.366 4.090 0.276 1
1 125 . 11 1 1 A 17 17 PHE N N 17 121.747 122.049 -0.302 1
1 126 . 11 1 1 A 18 18 GLN H H 18 8.200 8.346 -0.146 1
1 127 . 11 1 1 A 18 18 GLN HA H 18 3.998 3.808 0.190 1
1 134 . 11 1 1 A 18 18 GLN N N 18 119.816 117.531 2.285 1
1 136 . 11 1 1 A 19 19 LYS H H 19 7.986 7.799 0.187 1
1 137 . 11 1 1 A 19 19 LYS HA H 19 4.126 4.086 0.040 1
1 146 . 11 1 1 A 19 19 LYS N N 19 120.081 119.559 0.522 1
1 147 . 11 1 1 A 20 20 ARG H H 20 7.918 8.039 -0.121 1
1 148 . 11 1 1 A 20 20 ARG HA H 20 4.125 4.026 0.099 1
1 155 . 11 1 1 A 20 20 ARG N N 20 118.851 118.825 0.026 1
1 156 . 11 1 1 A 21 21 LEU H H 21 7.954 7.933 0.021 1
1 157 . 11 1 1 A 21 21 LEU HA H 21 4.127 3.736 0.391 1
1 167 . 11 1 1 A 21 21 LEU N N 21 121.258 122.458 -1.200 1
1 168 . 11 1 1 A 22 22 GLU H H 22 8.169 8.244 -0.075 1
1 169 . 11 1 1 A 22 22 GLU HA H 22 3.981 3.990 -0.009 1
1 174 . 11 1 1 A 22 22 GLU N N 22 119.093 118.182 0.911 1
1 175 . 11 1 1 A 23 23 GLN H H 23 8.015 7.831 0.184 1
1 176 . 11 1 1 A 23 23 GLN HA H 23 4.174 4.041 0.133 1
1 183 . 11 1 1 A 23 23 GLN N N 23 119.335 119.997 -0.662 1
1 185 . 11 1 1 A 24 24 MET H H 24 8.209 8.418 -0.209 1
1 186 . 11 1 1 A 24 24 MET HA H 24 4.005 3.723 0.282 1
1 194 . 11 1 1 A 24 24 MET N N 24 119.750 118.308 1.442 1
1 195 . 11 1 1 A 25 25 LYS H H 25 8.387 7.884 0.503 1
1 196 . 11 1 1 A 25 25 LYS HA H 25 3.797 3.850 -0.053 1
1 205 . 11 1 1 A 25 25 LYS N N 25 119.097 120.460 -1.363 1
1 206 . 11 1 1 A 26 26 GLU H H 26 7.936 8.464 -0.528 1
1 207 . 11 1 1 A 26 26 GLU HA H 26 3.989 3.992 -0.003 1
1 212 . 11 1 1 A 26 26 GLU N N 26 117.895 118.675 -0.780 1
1 213 . 11 1 1 A 27 27 LYS H H 27 7.608 7.547 0.061 1
1 214 . 11 1 1 A 27 27 LYS HA H 27 4.027 4.180 -0.153 1
1 223 . 11 1 1 A 27 27 LYS N N 27 117.438 118.515 -1.077 1
1 224 . 11 1 1 A 28 28 VAL H H 28 8.285 7.748 0.537 1
1 225 . 11 1 1 A 28 28 VAL HA H 28 3.813 3.703 0.110 1
1 233 . 11 1 1 A 28 28 VAL N N 28 118.134 119.681 -1.547 1
1 234 . 11 1 1 A 29 29 MET H H 29 8.030 7.979 0.051 1
1 235 . 11 1 1 A 29 29 MET HA H 29 4.422 4.351 0.071 1
1 243 . 11 1 1 A 29 29 MET N N 29 112.840 117.793 -4.953 1
1 244 . 11 1 1 A 30 30 LYS H H 30 7.320 7.812 -0.492 1
1 245 . 11 1 1 A 30 30 LYS HA H 30 4.304 4.611 -0.307 1
1 254 . 11 1 1 A 30 30 LYS N N 30 116.038 116.780 -0.742 1
1 255 . 11 1 1 A 31 31 ASP H H 31 7.495 7.534 -0.039 1
1 256 . 11 1 1 A 31 31 ASP HA H 31 4.594 4.701 -0.107 1
1 259 . 11 1 1 A 31 31 ASP N N 31 122.944 122.999 -0.055 1
1 260 . 11 1 1 A 32 32 GLN H H 32 9.076 8.867 0.209 1
1 261 . 11 1 1 A 32 32 GLN HA H 32 4.029 4.131 -0.102 1
1 268 . 11 1 1 A 32 32 GLN N N 32 126.326 124.810 1.516 1
1 270 . 11 1 1 A 33 33 ASP H H 33 8.456 7.859 0.597 1
1 271 . 11 1 1 A 33 33 ASP HA H 33 4.671 4.617 0.054 1
1 274 . 11 1 1 A 33 33 ASP N N 33 122.586 120.514 2.072 1
1 275 . 11 1 1 A 34 34 VAL H H 34 9.317 8.371 0.946 1
1 276 . 11 1 1 A 34 34 VAL HA H 34 3.521 3.604 -0.083 1
1 284 . 11 1 1 A 34 34 VAL N N 34 124.689 120.657 4.032 1
1 285 . 11 1 1 A 35 35 GLN H H 35 8.633 7.994 0.639 1
1 286 . 11 1 1 A 35 35 GLN HA H 35 3.901 4.018 -0.117 1
1 293 . 11 1 1 A 35 35 GLN N N 35 117.209 118.634 -1.425 1
1 295 . 11 1 1 A 36 36 ALA H H 36 7.935 7.782 0.153 1
1 296 . 11 1 1 A 36 36 ALA HA H 36 4.211 4.191 0.020 1
1 300 . 11 1 1 A 36 36 ALA N N 36 121.503 122.268 -0.765 1
1 301 . 11 1 1 A 37 37 PHE H H 37 7.862 7.659 0.203 1
1 302 . 11 1 1 A 37 37 PHE HA H 37 4.357 4.272 0.085 1
1 310 . 11 1 1 A 37 37 PHE N N 37 121.040 119.157 1.883 1
1 311 . 11 1 1 A 38 38 LEU H H 38 8.848 8.755 0.093 1
1 312 . 11 1 1 A 38 38 LEU HA H 38 3.581 3.711 -0.130 1
1 322 . 11 1 1 A 38 38 LEU N N 38 120.561 119.464 1.097 1
1 323 . 11 1 1 A 39 39 LYS H H 39 7.885 8.455 -0.570 1
1 324 . 11 1 1 A 39 39 LYS HA H 39 4.142 4.011 0.131 1
1 333 . 11 1 1 A 39 39 LYS N N 39 118.613 118.802 -0.189 1
1 334 . 11 1 1 A 40 40 GLU H H 40 8.134 7.582 0.552 1
1 335 . 11 1 1 A 40 40 GLU HA H 40 4.054 4.035 0.019 1
1 340 . 11 1 1 A 40 40 GLU N N 40 119.387 119.780 -0.393 1
1 341 . 11 1 1 A 41 41 ASN H H 41 7.089 7.494 -0.405 1
1 342 . 11 1 1 A 41 41 ASN HA H 41 4.933 4.941 -0.008 1
1 347 . 11 1 1 A 41 41 ASN N N 41 114.032 115.999 -1.967 1
1 349 . 11 1 1 A 42 42 GLU H H 42 7.086 8.167 -1.081 1
1 350 . 11 1 1 A 42 42 GLU HA H 42 3.957 3.949 0.008 1
1 355 . 11 1 1 A 42 42 GLU N N 42 121.023 118.933 2.090 1
1 356 . 11 1 1 A 43 43 GLU H H 43 8.648 7.733 0.915 1
1 357 . 11 1 1 A 43 43 GLU HA H 43 4.207 4.123 0.084 1
1 362 . 11 1 1 A 43 43 GLU N N 43 115.965 120.333 -4.368 1
1 363 . 11 1 1 A 44 44 VAL H H 44 7.526 7.226 0.300 1
1 364 . 11 1 1 A 44 44 VAL HA H 44 4.445 4.008 0.437 1
1 372 . 11 1 1 A 44 44 VAL N N 44 110.987 117.480 -6.493 1
1 373 . 11 1 1 A 45 45 ILE H H 45 7.246 8.007 -0.761 1
1 374 . 11 1 1 A 45 45 ILE HA H 45 4.531 4.171 0.360 1
1 384 . 11 1 1 A 45 45 ILE N N 45 119.815 119.402 0.413 1
1 385 . 11 1 1 A 46 46 ASP H H 46 7.351 8.492 -1.141 1
1 386 . 11 1 1 A 46 46 ASP HA H 46 4.958 4.952 0.006 1
1 389 . 11 1 1 A 46 46 ASP N N 46 124.659 125.694 -1.035 1
1 390 . 11 1 1 A 47 47 GLN H H 47 8.504 8.912 -0.408 1
1 391 . 11 1 1 A 47 47 GLN HA H 47 3.949 3.916 0.033 1
1 398 . 11 1 1 A 47 47 GLN N N 47 117.654 118.968 -1.314 1
1 400 . 11 1 1 A 48 48 LYS H H 48 8.030 8.133 -0.103 1
1 401 . 11 1 1 A 48 48 LYS HA H 48 4.132 4.082 0.050 1
1 410 . 11 1 1 A 48 48 LYS N N 48 119.335 119.323 0.012 1
1 411 . 11 1 1 A 49 49 MET H H 49 8.250 8.203 0.047 1
1 412 . 11 1 1 A 49 49 MET HA H 49 4.132 4.187 -0.055 1
1 420 . 11 1 1 A 49 49 MET N N 49 120.061 118.901 1.160 1
1 421 . 11 1 1 A 50 50 ILE H H 50 7.726 7.801 -0.075 1
1 422 . 11 1 1 A 50 50 ILE HA H 50 3.379 3.599 -0.220 1
1 432 . 11 1 1 A 50 50 ILE N N 50 120.912 119.756 1.156 1
1 433 . 11 1 1 A 51 51 GLU H H 51 8.044 7.741 0.303 1
1 434 . 11 1 1 A 51 51 GLU HA H 51 3.906 3.977 -0.071 1
1 439 . 11 1 1 A 51 51 GLU N N 51 117.413 119.012 -1.599 1
1 440 . 11 1 1 A 52 52 LYS H H 52 8.249 8.143 0.106 1
1 441 . 11 1 1 A 52 52 LYS HA H 52 4.318 4.071 0.247 1
1 450 . 11 1 1 A 52 52 LYS N N 52 117.183 121.231 -4.048 1
1 451 . 11 1 1 A 53 53 SER H H 53 7.664 7.378 0.286 1
1 452 . 11 1 1 A 53 53 SER HA H 53 5.067 4.895 0.172 1
1 455 . 11 1 1 A 53 53 SER N N 53 113.070 113.154 -0.084 1
1 456 . 11 1 1 A 54 54 LEU H H 54 7.375 7.424 -0.049 1
1 457 . 11 1 1 A 54 54 LEU HA H 54 3.980 4.012 -0.032 1
1 467 . 11 1 1 A 54 54 LEU N N 54 123.828 123.331 0.497 1
1 468 . 11 1 1 A 55 55 ASN H H 55 8.705 8.677 0.028 1
1 469 . 11 1 1 A 55 55 ASN HA H 55 4.434 4.486 -0.052 1
1 474 . 11 1 1 A 55 55 ASN N N 55 114.672 116.206 -1.534 1
1 476 . 11 1 1 A 56 56 LYS H H 56 7.685 7.807 -0.122 1
1 477 . 11 1 1 A 56 56 LYS HA H 56 4.289 4.122 0.167 1
1 486 . 11 1 1 A 56 56 LYS N N 56 121.417 119.828 1.589 1
1 487 . 11 1 1 A 57 57 LEU H H 57 8.120 8.649 -0.529 1
1 488 . 11 1 1 A 57 57 LEU HA H 57 3.948 4.010 -0.062 1
1 498 . 11 1 1 A 57 57 LEU N N 57 118.616 119.487 -0.871 1
1 499 . 11 1 1 A 58 58 TYR H H 58 8.659 8.900 -0.241 1
1 500 . 11 1 1 A 58 58 TYR HA H 58 4.124 4.070 0.054 1
1 507 . 11 1 1 A 58 58 TYR N N 58 119.812 119.020 0.792 1
1 508 . 11 1 1 A 59 59 GLU H H 59 7.999 8.308 -0.309 1
1 509 . 11 1 1 A 59 59 GLU HA H 59 3.945 3.977 -0.032 1
1 514 . 11 1 1 A 59 59 GLU N N 59 118.851 119.349 -0.498 1
1 515 . 11 1 1 A 60 60 TYR H H 60 8.132 8.319 -0.187 1
1 516 . 11 1 1 A 60 60 TYR HA H 60 4.056 4.150 -0.094 1
1 523 . 11 1 1 A 60 60 TYR N N 60 118.616 120.994 -2.378 1
1 524 . 11 1 1 A 61 61 ILE H H 61 7.985 7.826 0.159 1
1 525 . 11 1 1 A 61 61 ILE HA H 61 3.638 3.550 0.088 1
1 535 . 11 1 1 A 61 61 ILE N N 61 115.242 117.996 -2.754 1
1 536 . 11 1 1 A 62 62 GLU H H 62 7.409 7.148 0.261 1
1 537 . 11 1 1 A 62 62 GLU HA H 62 4.056 4.148 -0.092 1
1 542 . 11 1 1 A 62 62 GLU N N 62 118.370 119.887 -1.517 1
1 543 . 11 1 1 A 63 63 GLN H H 63 7.320 7.023 0.297 1
1 544 . 11 1 1 A 63 63 GLN HA H 63 4.583 4.320 0.263 1
1 551 . 11 1 1 A 63 63 GLN N N 63 118.398 118.548 -0.150 1
1 553 . 11 1 1 A 64 64 SER H H 64 8.134 8.472 -0.338 1
1 554 . 11 1 1 A 64 64 SER HA H 64 4.122 4.461 -0.339 1
1 557 . 11 1 1 A 64 64 SER N N 64 115.490 115.547 -0.057 1
1 558 . 11 1 1 A 65 65 LYS H H 65 8.663 8.533 0.130 1
1 559 . 11 1 1 A 65 65 LYS HA H 65 4.132 3.933 0.199 1
1 562 . 11 1 1 A 65 65 LYS N N 65 122.473 125.476 -3.003 1
1 563 . 11 1 1 A 66 66 ASN H H 66 8.010 7.574 0.436 1
1 564 . 11 1 1 A 66 66 ASN HA H 66 3.809 4.445 -0.636 1
1 569 . 11 1 1 A 66 66 ASN N N 66 117.420 114.029 3.391 1
1 571 . 11 1 1 A 67 67 CYS H H 67 7.649 8.028 -0.379 1
1 572 . 11 1 1 A 67 67 CYS HA H 67 5.108 4.716 0.392 1
1 575 . 11 1 1 A 67 67 CYS N N 67 116.684 114.982 1.702 1
1 576 . 11 1 1 A 68 68 SER H H 68 8.891 9.491 -0.600 1
1 577 . 11 1 1 A 68 68 SER HA H 68 4.379 4.246 0.133 1
1 580 . 11 1 1 A 68 68 SER N N 68 115.241 117.975 -2.734 1
1 581 . 11 1 1 A 69 69 TYR H H 69 9.864 8.192 1.672 1
1 582 . 11 1 1 A 69 69 TYR HA H 69 4.569 4.194 0.375 1
1 589 . 11 1 1 A 69 69 TYR N N 69 124.277 122.696 1.581 1
1 590 . 11 1 1 A 70 70 CYS H H 70 7.841 8.079 -0.238 1
1 591 . 11 1 1 A 70 70 CYS HA H 70 4.920 4.745 0.175 1
1 594 . 11 1 1 A 70 70 CYS N N 70 115.300 113.786 1.514 1
1 595 . 11 1 1 A 71 71 SER H H 71 8.032 7.472 0.560 1
1 596 . 11 1 1 A 71 71 SER HA H 71 4.673 4.992 -0.319 1
1 599 . 11 1 1 A 71 71 SER N N 71 119.327 117.012 2.315 1
1 600 . 11 1 1 A 72 72 GLU H H 72 8.701 8.668 0.033 1
1 601 . 11 1 1 A 72 72 GLU HA H 72 4.459 4.343 0.116 1
1 606 . 11 1 1 A 72 72 GLU N N 72 122.947 126.425 -3.478 1
1 607 . 11 1 1 A 73 73 ASP H H 73 8.053 8.032 0.021 1
1 608 . 11 1 1 A 73 73 ASP HA H 73 4.529 4.876 -0.347 1
1 611 . 11 1 1 A 73 73 ASP N N 73 120.929 124.098 -3.169 1
1 612 . 11 1 1 A 74 74 GLU H H 74 8.754 8.712 0.042 1
1 613 . 11 1 1 A 74 74 GLU HA H 74 4.251 4.675 -0.424 1
1 618 . 11 1 1 A 74 74 GLU N N 74 122.241 123.807 -1.566 1
1 619 . 11 1 1 A 75 75 ASN H H 75 8.564 7.765 0.799 1
1 620 . 11 1 1 A 75 75 ASN HA H 75 4.803 4.783 0.020 1
1 625 . 11 1 1 A 75 75 ASN N N 75 117.681 119.604 -1.923 1
1 627 . 11 1 1 A 76 76 CYS H H 76 7.923 7.769 0.154 1
1 628 . 11 1 1 A 76 76 CYS HA H 76 4.377 4.584 -0.207 1
1 631 . 11 1 1 A 76 76 CYS N N 76 120.055 122.463 -2.408 1
1 632 . 11 1 1 A 77 77 ASN H H 77 8.717 9.022 -0.305 1
1 633 . 11 1 1 A 77 77 ASN HA H 77 4.759 4.653 0.106 1
1 638 . 11 1 1 A 77 77 ASN N N 77 122.469 125.117 -2.648 1
1 640 . 11 1 1 A 78 78 ASN H H 78 8.564 6.913 1.651 1
1 641 . 11 1 1 A 78 78 ASN HA H 78 4.772 4.485 0.287 1
1 646 . 11 1 1 A 78 78 ASN N N 78 121.986 117.647 4.339 1
1 648 . 11 1 1 A 79 79 LEU H H 79 8.160 8.693 -0.533 1
1 649 . 11 1 1 A 79 79 LEU HA H 79 4.282 4.319 -0.037 1
1 659 . 11 1 1 A 79 79 LEU N N 79 122.221 127.378 -5.157 1
1 660 . 11 1 1 A 80 80 LEU H H 80 8.034 7.611 0.423 1
1 661 . 11 1 1 A 80 80 LEU HA H 80 4.391 4.304 0.087 1
1 671 . 11 1 1 A 80 80 LEU N N 80 121.024 119.743 1.281 1
1 672 . 11 1 1 A 81 81 GLU H H 81 8.105 8.457 -0.352 1
1 673 . 11 1 1 A 81 81 GLU HA H 81 4.298 4.002 0.296 1
1 678 . 11 1 1 A 81 81 GLU N N 81 122.466 125.160 -2.694 1
1 679 . 11 1 1 A 82 82 GLY H H 82 8.274 8.795 -0.521 1
1 680 . 11 1 1 A 82 82 GLY HA2 H 82 3.852 3.522 0.330 1
1 681 . 11 1 1 A 82 82 GLY HA3 H 82 3.988 3.692 0.296 1
1 682 . 11 1 1 A 82 82 GLY N N 82 112.347 114.424 -2.077 1
1 683 . 11 1 1 A 83 83 TYR H H 83 7.850 7.768 0.082 1
1 684 . 11 1 1 A 83 83 TYR HA H 83 5.113 5.314 -0.201 1
1 691 . 11 1 1 A 83 83 TYR N N 83 118.873 119.330 -0.457 1
1 692 . 11 1 1 A 84 84 HIS H H 84 9.473 9.006 0.467 1
1 693 . 11 1 1 A 84 84 HIS HA H 84 5.117 4.967 0.150 1
1 698 . 11 1 1 A 84 84 HIS N N 84 120.297 118.127 2.170 1
1 699 . 11 1 1 A 85 85 PRO HA H 85 4.678 3.955 0.723 1
1 706 . 11 1 1 A 86 86 LYS H H 86 9.027 8.980 0.047 1
1 707 . 11 1 1 A 86 86 LYS HA H 86 4.709 4.818 -0.109 1
1 716 . 11 1 1 A 86 86 LYS N N 86 119.573 122.840 -3.267 1
1 717 . 11 1 1 A 87 87 LEU H H 87 7.785 8.147 -0.362 1
1 718 . 11 1 1 A 87 87 LEU HA H 87 4.414 4.475 -0.061 1
1 727 . 11 1 1 A 87 87 LEU N N 87 123.673 127.398 -3.725 1
1 728 . 11 1 1 A 88 88 VAL H H 88 8.443 8.770 -0.327 1
1 729 . 11 1 1 A 88 88 VAL HA H 88 4.616 4.887 -0.271 1
1 737 . 11 1 1 A 88 88 VAL N N 88 115.720 118.047 -2.327 1
1 738 . 11 1 1 A 89 89 VAL H H 89 8.621 9.130 -0.509 1
1 739 . 11 1 1 A 89 89 VAL HA H 89 4.471 4.797 -0.326 1
1 747 . 11 1 1 A 89 89 VAL N N 89 122.477 124.072 -1.595 1
1 748 . 11 1 1 A 90 90 ASN H H 90 8.721 9.067 -0.346 1
1 749 . 11 1 1 A 90 90 ASN HA H 90 5.020 5.049 -0.029 1
1 754 . 11 1 1 A 90 90 ASN N N 90 127.524 127.395 0.129 1
1 756 . 11 1 1 A 91 91 GLY H H 91 9.006 8.935 0.071 1
1 757 . 11 1 1 A 91 91 GLY HA2 H 91 3.639 3.875 -0.236 1
1 758 . 11 1 1 A 91 91 GLY HA3 H 91 3.993 3.876 0.117 1
1 759 . 11 1 1 A 91 91 GLY N N 91 115.517 115.824 -0.307 1
1 760 . 11 1 1 A 92 92 ARG H H 92 8.675 8.629 0.046 1
1 761 . 11 1 1 A 92 92 ARG HA H 92 4.530 4.423 0.107 1
1 768 . 11 1 1 A 92 92 ARG N N 92 125.836 126.600 -0.764 1
1 769 . 11 1 1 A 93 93 SER H H 93 7.875 7.814 0.061 1
1 770 . 11 1 1 A 93 93 SER HA H 93 4.707 5.190 -0.483 1
1 773 . 11 1 1 A 93 93 SER N N 93 114.996 112.560 2.436 1
1 774 . 11 1 1 A 94 94 ILE H H 94 7.943 9.646 -1.703 1
1 775 . 11 1 1 A 94 94 ILE HA H 94 4.694 4.881 -0.187 1
1 785 . 11 1 1 A 94 94 ILE N N 94 123.668 125.574 -1.906 1
1 786 . 11 1 1 A 95 95 ASP H H 95 8.975 9.464 -0.489 1
1 787 . 11 1 1 A 95 95 ASP HA H 95 4.995 5.265 -0.270 1
1 790 . 11 1 1 A 95 95 ASP N N 95 128.002 127.603 0.399 1
1 791 . 11 1 1 A 96 96 ILE H H 96 8.672 8.820 -0.148 1
1 792 . 11 1 1 A 96 96 ILE HA H 96 4.669 4.937 -0.268 1
1 802 . 11 1 1 A 96 96 ILE N N 96 118.150 120.548 -2.398 1
1 803 . 11 1 1 A 97 97 GLU H H 97 8.990 8.982 0.008 1
1 804 . 11 1 1 A 97 97 GLU HA H 97 4.604 4.913 -0.309 1
1 809 . 11 1 1 A 97 97 GLU N N 97 128.072 126.980 1.092 1
1 810 . 11 1 1 A 98 98 TYR H H 98 8.544 8.685 -0.141 1
1 811 . 11 1 1 A 98 98 TYR HA H 98 5.662 5.294 0.368 1
1 818 . 11 1 1 A 98 98 TYR N N 98 118.130 117.882 0.248 1
1 819 . 11 1 1 A 99 99 TYR H H 99 9.389 8.622 0.767 1
1 820 . 11 1 1 A 99 99 TYR HA H 99 5.258 5.851 -0.593 1
1 827 . 11 1 1 A 99 99 TYR N N 99 121.021 120.778 0.243 1
1 828 . 11 1 1 A 100 100 GLU H H 100 8.942 8.711 0.231 1
1 829 . 11 1 1 A 100 100 GLU HA H 100 3.495 4.295 -0.800 1
1 834 . 11 1 1 A 100 100 GLU N N 100 122.954 120.688 2.266 1
1 835 . 11 1 1 A 101 101 CYS H H 101 7.742 8.876 -1.134 1
1 836 . 11 1 1 A 101 101 CYS HA H 101 3.342 4.182 -0.840 1
1 839 . 11 1 1 A 101 101 CYS N N 101 125.649 123.386 2.263 1
1 840 . 11 1 1 A 102 102 PRO HA H 102 4.415 4.429 -0.014 1
1 847 . 11 1 1 A 103 103 VAL H H 103 8.493 7.791 0.702 1
1 848 . 11 1 1 A 103 103 VAL HA H 103 3.990 3.975 0.015 1
1 856 . 11 1 1 A 103 103 VAL N N 103 121.026 117.138 3.888 1
1 857 . 11 1 1 A 104 104 LYS H H 104 7.585 8.148 -0.563 1
1 858 . 11 1 1 A 104 104 LYS HA H 104 3.972 4.293 -0.321 1
1 867 . 11 1 1 A 104 104 LYS N N 104 122.941 120.257 2.684 1
1 868 . 11 1 1 A 105 105 ARG H H 105 7.848 7.688 0.160 1
1 869 . 11 1 1 A 105 105 ARG HA H 105 4.276 4.326 -0.050 1
1 876 . 11 1 1 A 105 105 ARG N N 105 121.986 120.729 1.257 1
1 6 . 12 1 1 A 2 2 GLU HA H 2 4.671 5.030 -0.359 1
1 11 . 12 1 1 A 3 3 PRO HA H 3 4.473 4.580 -0.107 1
1 18 . 12 1 1 A 4 4 ILE H H 4 8.270 8.638 -0.368 1
1 19 . 12 1 1 A 4 4 ILE HA H 4 4.156 4.102 0.054 1
1 29 . 12 1 1 A 4 4 ILE N N 4 121.501 120.035 1.466 1
1 30 . 12 1 1 A 5 5 GLY H H 5 8.516 8.190 0.326 1
1 31 . 12 1 1 A 5 5 GLY HA2 H 5 3.952 3.920 0.032 1
1 32 . 12 1 1 A 5 5 GLY HA3 H 5 3.992 3.920 0.072 1
1 33 . 12 1 1 A 5 5 GLY N N 5 112.831 108.744 4.087 1
1 34 . 12 1 1 A 6 6 ARG H H 6 8.197 7.794 0.403 1
1 35 . 12 1 1 A 6 6 ARG HA H 6 4.383 4.387 -0.004 1
1 42 . 12 1 1 A 6 6 ARG N N 6 121.014 120.572 0.442 1
1 43 . 12 1 1 A 7 7 SER H H 7 8.400 7.727 0.673 1
1 44 . 12 1 1 A 7 7 SER HA H 7 4.472 4.680 -0.208 1
1 47 . 12 1 1 A 7 7 SER N N 7 116.921 116.083 0.838 1
1 48 . 12 1 1 A 8 8 LEU H H 8 8.376 8.100 0.276 1
1 49 . 12 1 1 A 8 8 LEU HA H 8 4.390 4.274 0.116 1
1 59 . 12 1 1 A 8 8 LEU N N 8 124.394 125.519 -1.125 1
1 60 . 12 1 1 A 9 9 GLN H H 9 8.292 7.729 0.563 1
1 61 . 12 1 1 A 9 9 GLN HA H 9 4.323 4.155 0.168 1
1 68 . 12 1 1 A 9 9 GLN N N 9 120.593 117.853 2.740 1
1 70 . 12 1 1 A 10 10 GLY H H 10 8.417 7.536 0.881 1
1 71 . 12 1 1 A 10 10 GLY HA2 H 10 3.992 3.979 0.013 1
1 72 . 12 1 1 A 10 10 GLY HA3 H 10 3.992 3.979 0.013 1
1 73 . 12 1 1 A 10 10 GLY N N 10 110.179 107.180 2.999 1
1 74 . 12 1 1 A 11 11 VAL H H 11 8.040 8.143 -0.103 1
1 75 . 12 1 1 A 11 11 VAL HA H 11 4.208 4.847 -0.639 1
1 83 . 12 1 1 A 11 11 VAL N N 11 119.334 115.895 3.439 1
1 84 . 12 1 1 A 12 12 THR H H 12 8.210 8.528 -0.318 1
1 85 . 12 1 1 A 12 12 THR HA H 12 4.285 4.213 0.072 1
1 90 . 12 1 1 A 12 12 THR N N 12 117.160 118.231 -1.071 1
1 91 . 12 1 1 A 13 13 GLY H H 13 8.388 7.778 0.610 1
1 92 . 12 1 1 A 13 13 GLY HA2 H 13 3.988 4.030 -0.042 1
1 93 . 12 1 1 A 13 13 GLY HA3 H 13 4.027 4.031 -0.004 1
1 94 . 12 1 1 A 13 13 GLY N N 13 111.151 108.780 2.371 1
1 95 . 12 1 1 A 14 14 ARG H H 14 8.169 8.682 -0.513 1
1 96 . 12 1 1 A 14 14 ARG HA H 14 4.668 4.921 -0.253 1
1 103 . 12 1 1 A 14 14 ARG N N 14 121.499 124.412 -2.913 1
1 104 . 12 1 1 A 15 15 PRO HA H 15 4.426 4.639 -0.213 1
1 111 . 12 1 1 A 16 16 ASP H H 16 8.475 8.828 -0.353 1
1 112 . 12 1 1 A 16 16 ASP HA H 16 4.556 4.302 0.254 1
1 115 . 12 1 1 A 16 16 ASP N N 16 119.586 124.325 -4.739 1
1 116 . 12 1 1 A 17 17 PHE H H 17 8.179 8.235 -0.056 1
1 117 . 12 1 1 A 17 17 PHE HA H 17 4.366 4.114 0.252 1
1 125 . 12 1 1 A 17 17 PHE N N 17 121.747 121.893 -0.146 1
1 126 . 12 1 1 A 18 18 GLN H H 18 8.200 8.419 -0.219 1
1 127 . 12 1 1 A 18 18 GLN HA H 18 3.998 3.780 0.218 1
1 134 . 12 1 1 A 18 18 GLN N N 18 119.816 117.615 2.201 1
1 136 . 12 1 1 A 19 19 LYS H H 19 7.986 7.707 0.279 1
1 137 . 12 1 1 A 19 19 LYS HA H 19 4.126 4.069 0.057 1
1 146 . 12 1 1 A 19 19 LYS N N 19 120.081 119.224 0.857 1
1 147 . 12 1 1 A 20 20 ARG H H 20 7.918 7.401 0.517 1
1 148 . 12 1 1 A 20 20 ARG HA H 20 4.125 3.984 0.141 1
1 155 . 12 1 1 A 20 20 ARG N N 20 118.851 119.740 -0.889 1
1 156 . 12 1 1 A 21 21 LEU H H 21 7.954 7.867 0.087 1
1 157 . 12 1 1 A 21 21 LEU HA H 21 4.127 3.809 0.318 1
1 167 . 12 1 1 A 21 21 LEU N N 21 121.258 121.391 -0.133 1
1 168 . 12 1 1 A 22 22 GLU H H 22 8.169 8.361 -0.192 1
1 169 . 12 1 1 A 22 22 GLU HA H 22 3.981 3.962 0.019 1
1 174 . 12 1 1 A 22 22 GLU N N 22 119.093 118.300 0.793 1
1 175 . 12 1 1 A 23 23 GLN H H 23 8.015 7.755 0.260 1
1 176 . 12 1 1 A 23 23 GLN HA H 23 4.174 4.047 0.127 1
1 183 . 12 1 1 A 23 23 GLN N N 23 119.335 120.152 -0.817 1
1 185 . 12 1 1 A 24 24 MET H H 24 8.209 8.658 -0.449 1
1 186 . 12 1 1 A 24 24 MET HA H 24 4.005 4.194 -0.189 1
1 194 . 12 1 1 A 24 24 MET N N 24 119.750 118.667 1.083 1
1 195 . 12 1 1 A 25 25 LYS H H 25 8.387 7.543 0.844 1
1 196 . 12 1 1 A 25 25 LYS HA H 25 3.797 3.968 -0.171 1
1 205 . 12 1 1 A 25 25 LYS N N 25 119.097 120.442 -1.345 1
1 206 . 12 1 1 A 26 26 GLU H H 26 7.936 8.328 -0.392 1
1 207 . 12 1 1 A 26 26 GLU HA H 26 3.989 4.132 -0.143 1
1 212 . 12 1 1 A 26 26 GLU N N 26 117.895 118.390 -0.495 1
1 213 . 12 1 1 A 27 27 LYS H H 27 7.608 8.152 -0.544 1
1 214 . 12 1 1 A 27 27 LYS HA H 27 4.027 4.126 -0.099 1
1 223 . 12 1 1 A 27 27 LYS N N 27 117.438 119.418 -1.980 1
1 224 . 12 1 1 A 28 28 VAL H H 28 8.285 8.070 0.215 1
1 225 . 12 1 1 A 28 28 VAL HA H 28 3.813 3.694 0.119 1
1 233 . 12 1 1 A 28 28 VAL N N 28 118.134 119.837 -1.703 1
1 234 . 12 1 1 A 29 29 MET H H 29 8.030 7.905 0.125 1
1 235 . 12 1 1 A 29 29 MET HA H 29 4.422 4.551 -0.129 1
1 243 . 12 1 1 A 29 29 MET N N 29 112.840 117.684 -4.844 1
1 244 . 12 1 1 A 30 30 LYS H H 30 7.320 7.788 -0.468 1
1 245 . 12 1 1 A 30 30 LYS HA H 30 4.304 4.353 -0.049 1
1 254 . 12 1 1 A 30 30 LYS N N 30 116.038 118.242 -2.204 1
1 255 . 12 1 1 A 31 31 ASP H H 31 7.495 7.349 0.146 1
1 256 . 12 1 1 A 31 31 ASP HA H 31 4.594 4.436 0.158 1
1 259 . 12 1 1 A 31 31 ASP N N 31 122.944 119.855 3.089 1
1 260 . 12 1 1 A 32 32 GLN H H 32 9.076 8.648 0.428 1
1 261 . 12 1 1 A 32 32 GLN HA H 32 4.029 3.977 0.052 1
1 268 . 12 1 1 A 32 32 GLN N N 32 126.326 125.895 0.431 1
1 270 . 12 1 1 A 33 33 ASP H H 33 8.456 8.028 0.428 1
1 271 . 12 1 1 A 33 33 ASP HA H 33 4.671 4.429 0.242 1
1 274 . 12 1 1 A 33 33 ASP N N 33 122.586 119.808 2.778 1
1 275 . 12 1 1 A 34 34 VAL H H 34 9.317 8.518 0.799 1
1 276 . 12 1 1 A 34 34 VAL HA H 34 3.521 3.548 -0.027 1
1 284 . 12 1 1 A 34 34 VAL N N 34 124.689 119.882 4.807 1
1 285 . 12 1 1 A 35 35 GLN H H 35 8.633 8.121 0.512 1
1 286 . 12 1 1 A 35 35 GLN HA H 35 3.901 4.111 -0.210 1
1 293 . 12 1 1 A 35 35 GLN N N 35 117.209 118.415 -1.206 1
1 295 . 12 1 1 A 36 36 ALA H H 36 7.935 7.817 0.118 1
1 296 . 12 1 1 A 36 36 ALA HA H 36 4.211 4.179 0.032 1
1 300 . 12 1 1 A 36 36 ALA N N 36 121.503 122.673 -1.170 1
1 301 . 12 1 1 A 37 37 PHE H H 37 7.862 7.706 0.156 1
1 302 . 12 1 1 A 37 37 PHE HA H 37 4.357 4.316 0.041 1
1 310 . 12 1 1 A 37 37 PHE N N 37 121.040 119.815 1.225 1
1 311 . 12 1 1 A 38 38 LEU H H 38 8.848 8.654 0.194 1
1 312 . 12 1 1 A 38 38 LEU HA H 38 3.581 3.729 -0.148 1
1 322 . 12 1 1 A 38 38 LEU N N 38 120.561 119.568 0.993 1
1 323 . 12 1 1 A 39 39 LYS H H 39 7.885 8.789 -0.904 1
1 324 . 12 1 1 A 39 39 LYS HA H 39 4.142 3.983 0.159 1
1 333 . 12 1 1 A 39 39 LYS N N 39 118.613 118.601 0.012 1
1 334 . 12 1 1 A 40 40 GLU H H 40 8.134 7.486 0.648 1
1 335 . 12 1 1 A 40 40 GLU HA H 40 4.054 4.119 -0.065 1
1 340 . 12 1 1 A 40 40 GLU N N 40 119.387 118.751 0.636 1
1 341 . 12 1 1 A 41 41 ASN H H 41 7.089 7.446 -0.357 1
1 342 . 12 1 1 A 41 41 ASN HA H 41 4.933 4.919 0.014 1
1 347 . 12 1 1 A 41 41 ASN N N 41 114.032 115.833 -1.801 1
1 349 . 12 1 1 A 42 42 GLU H H 42 7.086 8.235 -1.149 1
1 350 . 12 1 1 A 42 42 GLU HA H 42 3.957 4.014 -0.057 1
1 355 . 12 1 1 A 42 42 GLU N N 42 121.023 119.300 1.723 1
1 356 . 12 1 1 A 43 43 GLU H H 43 8.648 7.659 0.989 1
1 357 . 12 1 1 A 43 43 GLU HA H 43 4.207 4.068 0.139 1
1 362 . 12 1 1 A 43 43 GLU N N 43 115.965 120.463 -4.498 1
1 363 . 12 1 1 A 44 44 VAL H H 44 7.526 7.323 0.203 1
1 364 . 12 1 1 A 44 44 VAL HA H 44 4.445 4.164 0.281 1
1 372 . 12 1 1 A 44 44 VAL N N 44 110.987 116.768 -5.781 1
1 373 . 12 1 1 A 45 45 ILE H H 45 7.246 7.777 -0.531 1
1 374 . 12 1 1 A 45 45 ILE HA H 45 4.531 4.014 0.517 1
1 384 . 12 1 1 A 45 45 ILE N N 45 119.815 120.033 -0.218 1
1 385 . 12 1 1 A 46 46 ASP H H 46 7.351 8.356 -1.005 1
1 386 . 12 1 1 A 46 46 ASP HA H 46 4.958 5.003 -0.045 1
1 389 . 12 1 1 A 46 46 ASP N N 46 124.659 127.707 -3.048 1
1 390 . 12 1 1 A 47 47 GLN H H 47 8.504 8.896 -0.392 1
1 391 . 12 1 1 A 47 47 GLN HA H 47 3.949 3.917 0.032 1
1 398 . 12 1 1 A 47 47 GLN N N 47 117.654 123.574 -5.920 1
1 400 . 12 1 1 A 48 48 LYS H H 48 8.030 7.798 0.232 1
1 401 . 12 1 1 A 48 48 LYS HA H 48 4.132 4.264 -0.132 1
1 410 . 12 1 1 A 48 48 LYS N N 48 119.335 119.877 -0.542 1
1 411 . 12 1 1 A 49 49 MET H H 49 8.250 8.239 0.011 1
1 412 . 12 1 1 A 49 49 MET HA H 49 4.132 4.170 -0.038 1
1 420 . 12 1 1 A 49 49 MET N N 49 120.061 118.615 1.446 1
1 421 . 12 1 1 A 50 50 ILE H H 50 7.726 8.036 -0.310 1
1 422 . 12 1 1 A 50 50 ILE HA H 50 3.379 3.587 -0.208 1
1 432 . 12 1 1 A 50 50 ILE N N 50 120.912 119.959 0.953 1
1 433 . 12 1 1 A 51 51 GLU H H 51 8.044 7.896 0.148 1
1 434 . 12 1 1 A 51 51 GLU HA H 51 3.906 4.007 -0.101 1
1 439 . 12 1 1 A 51 51 GLU N N 51 117.413 119.148 -1.735 1
1 440 . 12 1 1 A 52 52 LYS H H 52 8.249 8.004 0.245 1
1 441 . 12 1 1 A 52 52 LYS HA H 52 4.318 4.052 0.266 1
1 450 . 12 1 1 A 52 52 LYS N N 52 117.183 120.118 -2.935 1
1 451 . 12 1 1 A 53 53 SER H H 53 7.664 8.486 -0.822 1
1 452 . 12 1 1 A 53 53 SER HA H 53 5.067 4.462 0.605 1
1 455 . 12 1 1 A 53 53 SER N N 53 113.070 113.068 0.002 1
1 456 . 12 1 1 A 54 54 LEU H H 54 7.375 7.432 -0.057 1
1 457 . 12 1 1 A 54 54 LEU HA H 54 3.980 3.922 0.058 1
1 467 . 12 1 1 A 54 54 LEU N N 54 123.828 123.728 0.100 1
1 468 . 12 1 1 A 55 55 ASN H H 55 8.705 8.677 0.028 1
1 469 . 12 1 1 A 55 55 ASN HA H 55 4.434 4.499 -0.065 1
1 474 . 12 1 1 A 55 55 ASN N N 55 114.672 116.428 -1.756 1
1 476 . 12 1 1 A 56 56 LYS H H 56 7.685 7.738 -0.053 1
1 477 . 12 1 1 A 56 56 LYS HA H 56 4.289 4.104 0.185 1
1 486 . 12 1 1 A 56 56 LYS N N 56 121.417 119.784 1.633 1
1 487 . 12 1 1 A 57 57 LEU H H 57 8.120 8.601 -0.481 1
1 488 . 12 1 1 A 57 57 LEU HA H 57 3.948 3.947 0.001 1
1 498 . 12 1 1 A 57 57 LEU N N 57 118.616 119.515 -0.899 1
1 499 . 12 1 1 A 58 58 TYR H H 58 8.659 8.668 -0.009 1
1 500 . 12 1 1 A 58 58 TYR HA H 58 4.124 4.072 0.052 1
1 507 . 12 1 1 A 58 58 TYR N N 58 119.812 119.356 0.456 1
1 508 . 12 1 1 A 59 59 GLU H H 59 7.999 8.644 -0.645 1
1 509 . 12 1 1 A 59 59 GLU HA H 59 3.945 4.017 -0.072 1
1 514 . 12 1 1 A 59 59 GLU N N 59 118.851 119.610 -0.759 1
1 515 . 12 1 1 A 60 60 TYR H H 60 8.132 8.135 -0.003 1
1 516 . 12 1 1 A 60 60 TYR HA H 60 4.056 4.122 -0.066 1
1 523 . 12 1 1 A 60 60 TYR N N 60 118.616 120.691 -2.075 1
1 524 . 12 1 1 A 61 61 ILE H H 61 7.985 7.751 0.234 1
1 525 . 12 1 1 A 61 61 ILE HA H 61 3.638 3.662 -0.024 1
1 535 . 12 1 1 A 61 61 ILE N N 61 115.242 118.295 -3.053 1
1 536 . 12 1 1 A 62 62 GLU H H 62 7.409 7.499 -0.090 1
1 537 . 12 1 1 A 62 62 GLU HA H 62 4.056 4.161 -0.105 1
1 542 . 12 1 1 A 62 62 GLU N N 62 118.370 119.859 -1.489 1
1 543 . 12 1 1 A 63 63 GLN H H 63 7.320 7.073 0.247 1
1 544 . 12 1 1 A 63 63 GLN HA H 63 4.583 4.319 0.264 1
1 551 . 12 1 1 A 63 63 GLN N N 63 118.398 119.089 -0.691 1
1 553 . 12 1 1 A 64 64 SER H H 64 8.134 8.919 -0.785 1
1 554 . 12 1 1 A 64 64 SER HA H 64 4.122 4.258 -0.136 1
1 557 . 12 1 1 A 64 64 SER N N 64 115.490 118.323 -2.833 1
1 558 . 12 1 1 A 65 65 LYS H H 65 8.663 8.558 0.105 1
1 559 . 12 1 1 A 65 65 LYS HA H 65 4.132 4.107 0.025 1
1 562 . 12 1 1 A 65 65 LYS N N 65 122.473 127.451 -4.978 1
1 563 . 12 1 1 A 66 66 ASN H H 66 8.010 7.559 0.451 1
1 564 . 12 1 1 A 66 66 ASN HA H 66 3.809 4.248 -0.439 1
1 569 . 12 1 1 A 66 66 ASN N N 66 117.420 117.014 0.406 1
1 571 . 12 1 1 A 67 67 CYS H H 67 7.649 8.012 -0.363 1
1 572 . 12 1 1 A 67 67 CYS HA H 67 5.108 4.846 0.262 1
1 575 . 12 1 1 A 67 67 CYS N N 67 116.684 115.365 1.319 1
1 576 . 12 1 1 A 68 68 SER H H 68 8.891 9.477 -0.586 1
1 577 . 12 1 1 A 68 68 SER HA H 68 4.379 4.214 0.165 1
1 580 . 12 1 1 A 68 68 SER N N 68 115.241 118.338 -3.097 1
1 581 . 12 1 1 A 69 69 TYR H H 69 9.864 7.505 2.359 1
1 582 . 12 1 1 A 69 69 TYR HA H 69 4.569 4.325 0.244 1
1 589 . 12 1 1 A 69 69 TYR N N 69 124.277 122.197 2.080 1
1 590 . 12 1 1 A 70 70 CYS H H 70 7.841 8.120 -0.279 1
1 591 . 12 1 1 A 70 70 CYS HA H 70 4.920 4.752 0.168 1
1 594 . 12 1 1 A 70 70 CYS N N 70 115.300 115.502 -0.202 1
1 595 . 12 1 1 A 71 71 SER H H 71 8.032 7.925 0.107 1
1 596 . 12 1 1 A 71 71 SER HA H 71 4.673 4.479 0.194 1
1 599 . 12 1 1 A 71 71 SER N N 71 119.327 114.442 4.885 1
1 600 . 12 1 1 A 72 72 GLU H H 72 8.701 8.824 -0.123 1
1 601 . 12 1 1 A 72 72 GLU HA H 72 4.459 4.173 0.286 1
1 606 . 12 1 1 A 72 72 GLU N N 72 122.947 120.297 2.650 1
1 607 . 12 1 1 A 73 73 ASP H H 73 8.053 7.539 0.514 1
1 608 . 12 1 1 A 73 73 ASP HA H 73 4.529 4.502 0.027 1
1 611 . 12 1 1 A 73 73 ASP N N 73 120.929 122.333 -1.404 1
1 612 . 12 1 1 A 74 74 GLU H H 74 8.754 8.731 0.023 1
1 613 . 12 1 1 A 74 74 GLU HA H 74 4.251 4.039 0.212 1
1 618 . 12 1 1 A 74 74 GLU N N 74 122.241 124.481 -2.240 1
1 619 . 12 1 1 A 75 75 ASN H H 75 8.564 8.242 0.322 1
1 620 . 12 1 1 A 75 75 ASN HA H 75 4.803 4.744 0.059 1
1 625 . 12 1 1 A 75 75 ASN N N 75 117.681 114.771 2.910 1
1 627 . 12 1 1 A 76 76 CYS H H 76 7.923 7.172 0.751 1
1 628 . 12 1 1 A 76 76 CYS HA H 76 4.377 4.304 0.073 1
1 631 . 12 1 1 A 76 76 CYS N N 76 120.055 119.943 0.112 1
1 632 . 12 1 1 A 77 77 ASN H H 77 8.717 9.043 -0.326 1
1 633 . 12 1 1 A 77 77 ASN HA H 77 4.759 5.676 -0.917 1
1 638 . 12 1 1 A 77 77 ASN N N 77 122.469 122.135 0.334 1
1 640 . 12 1 1 A 78 78 ASN H H 78 8.564 8.514 0.050 1
1 641 . 12 1 1 A 78 78 ASN HA H 78 4.772 5.155 -0.383 1
1 646 . 12 1 1 A 78 78 ASN N N 78 121.986 117.796 4.190 1
1 648 . 12 1 1 A 79 79 LEU H H 79 8.160 8.645 -0.485 1
1 649 . 12 1 1 A 79 79 LEU HA H 79 4.282 4.246 0.036 1
1 659 . 12 1 1 A 79 79 LEU N N 79 122.221 122.819 -0.598 1
1 660 . 12 1 1 A 80 80 LEU H H 80 8.034 7.546 0.488 1
1 661 . 12 1 1 A 80 80 LEU HA H 80 4.391 4.249 0.142 1
1 671 . 12 1 1 A 80 80 LEU N N 80 121.024 119.338 1.686 1
1 672 . 12 1 1 A 81 81 GLU H H 81 8.105 8.776 -0.671 1
1 673 . 12 1 1 A 81 81 GLU HA H 81 4.298 4.280 0.018 1
1 678 . 12 1 1 A 81 81 GLU N N 81 122.466 124.677 -2.211 1
1 679 . 12 1 1 A 82 82 GLY H H 82 8.274 8.938 -0.664 1
1 680 . 12 1 1 A 82 82 GLY HA2 H 82 3.852 3.694 0.158 1
1 681 . 12 1 1 A 82 82 GLY HA3 H 82 3.988 3.857 0.131 1
1 682 . 12 1 1 A 82 82 GLY N N 82 112.347 112.110 0.237 1
1 683 . 12 1 1 A 83 83 TYR H H 83 7.850 7.723 0.127 1
1 684 . 12 1 1 A 83 83 TYR HA H 83 5.113 5.199 -0.086 1
1 691 . 12 1 1 A 83 83 TYR N N 83 118.873 119.353 -0.480 1
1 692 . 12 1 1 A 84 84 HIS H H 84 9.473 8.775 0.698 1
1 693 . 12 1 1 A 84 84 HIS HA H 84 5.117 4.895 0.222 1
1 698 . 12 1 1 A 84 84 HIS N N 84 120.297 117.984 2.313 1
1 699 . 12 1 1 A 85 85 PRO HA H 85 4.678 4.066 0.612 1
1 706 . 12 1 1 A 86 86 LYS H H 86 9.027 8.801 0.226 1
1 707 . 12 1 1 A 86 86 LYS HA H 86 4.709 5.240 -0.531 1
1 716 . 12 1 1 A 86 86 LYS N N 86 119.573 117.042 2.531 1
1 717 . 12 1 1 A 87 87 LEU H H 87 7.785 7.999 -0.214 1
1 718 . 12 1 1 A 87 87 LEU HA H 87 4.414 4.262 0.152 1
1 727 . 12 1 1 A 87 87 LEU N N 87 123.673 123.106 0.567 1
1 728 . 12 1 1 A 88 88 VAL H H 88 8.443 8.983 -0.540 1
1 729 . 12 1 1 A 88 88 VAL HA H 88 4.616 5.118 -0.502 1
1 737 . 12 1 1 A 88 88 VAL N N 88 115.720 118.305 -2.585 1
1 738 . 12 1 1 A 89 89 VAL H H 89 8.621 9.150 -0.529 1
1 739 . 12 1 1 A 89 89 VAL HA H 89 4.471 4.858 -0.387 1
1 747 . 12 1 1 A 89 89 VAL N N 89 122.477 123.485 -1.008 1
1 748 . 12 1 1 A 90 90 ASN H H 90 8.721 9.094 -0.373 1
1 749 . 12 1 1 A 90 90 ASN HA H 90 5.020 5.043 -0.023 1
1 754 . 12 1 1 A 90 90 ASN N N 90 127.524 127.615 -0.091 1
1 756 . 12 1 1 A 91 91 GLY H H 91 9.006 8.945 0.061 1
1 757 . 12 1 1 A 91 91 GLY HA2 H 91 3.639 3.876 -0.237 1
1 758 . 12 1 1 A 91 91 GLY HA3 H 91 3.993 3.878 0.115 1
1 759 . 12 1 1 A 91 91 GLY N N 91 115.517 115.526 -0.009 1
1 760 . 12 1 1 A 92 92 ARG H H 92 8.675 8.720 -0.045 1
1 761 . 12 1 1 A 92 92 ARG HA H 92 4.530 4.462 0.068 1
1 768 . 12 1 1 A 92 92 ARG N N 92 125.836 126.587 -0.751 1
1 769 . 12 1 1 A 93 93 SER H H 93 7.875 7.432 0.443 1
1 770 . 12 1 1 A 93 93 SER HA H 93 4.707 4.905 -0.198 1
1 773 . 12 1 1 A 93 93 SER N N 93 114.996 114.757 0.239 1
1 774 . 12 1 1 A 94 94 ILE H H 94 7.943 8.884 -0.941 1
1 775 . 12 1 1 A 94 94 ILE HA H 94 4.694 4.912 -0.218 1
1 785 . 12 1 1 A 94 94 ILE N N 94 123.668 127.330 -3.662 1
1 786 . 12 1 1 A 95 95 ASP H H 95 8.975 9.504 -0.529 1
1 787 . 12 1 1 A 95 95 ASP HA H 95 4.995 5.152 -0.157 1
1 790 . 12 1 1 A 95 95 ASP N N 95 128.002 127.970 0.032 1
1 791 . 12 1 1 A 96 96 ILE H H 96 8.672 8.553 0.119 1
1 792 . 12 1 1 A 96 96 ILE HA H 96 4.669 4.944 -0.275 1
1 802 . 12 1 1 A 96 96 ILE N N 96 118.150 120.784 -2.634 1
1 803 . 12 1 1 A 97 97 GLU H H 97 8.990 8.864 0.126 1
1 804 . 12 1 1 A 97 97 GLU HA H 97 4.604 5.223 -0.619 1
1 809 . 12 1 1 A 97 97 GLU N N 97 128.072 124.822 3.250 1
1 810 . 12 1 1 A 98 98 TYR H H 98 8.544 9.015 -0.471 1
1 811 . 12 1 1 A 98 98 TYR HA H 98 5.662 5.994 -0.332 1
1 818 . 12 1 1 A 98 98 TYR N N 98 118.130 119.242 -1.112 1
1 819 . 12 1 1 A 99 99 TYR H H 99 9.389 9.043 0.346 1
1 820 . 12 1 1 A 99 99 TYR HA H 99 5.258 5.871 -0.613 1
1 827 . 12 1 1 A 99 99 TYR N N 99 121.021 119.936 1.085 1
1 828 . 12 1 1 A 100 100 GLU H H 100 8.942 8.646 0.296 1
1 829 . 12 1 1 A 100 100 GLU HA H 100 3.495 4.099 -0.604 1
1 834 . 12 1 1 A 100 100 GLU N N 100 122.954 120.720 2.234 1
1 835 . 12 1 1 A 101 101 CYS H H 101 7.742 8.428 -0.686 1
1 836 . 12 1 1 A 101 101 CYS HA H 101 3.342 4.172 -0.830 1
1 839 . 12 1 1 A 101 101 CYS N N 101 125.649 124.689 0.960 1
1 840 . 12 1 1 A 102 102 PRO HA H 102 4.415 4.320 0.095 1
1 847 . 12 1 1 A 103 103 VAL H H 103 8.493 7.314 1.179 1
1 848 . 12 1 1 A 103 103 VAL HA H 103 3.990 3.946 0.044 1
1 856 . 12 1 1 A 103 103 VAL N N 103 121.026 116.441 4.585 1
1 857 . 12 1 1 A 104 104 LYS H H 104 7.585 8.249 -0.664 1
1 858 . 12 1 1 A 104 104 LYS HA H 104 3.972 3.961 0.011 1
1 867 . 12 1 1 A 104 104 LYS N N 104 122.941 120.740 2.201 1
1 868 . 12 1 1 A 105 105 ARG H H 105 7.848 7.512 0.336 1
1 869 . 12 1 1 A 105 105 ARG HA H 105 4.276 4.340 -0.064 1
1 876 . 12 1 1 A 105 105 ARG N N 105 121.986 118.853 3.133 1
1 6 . 13 1 1 A 2 2 GLU HA H 2 4.671 4.843 -0.172 1
1 11 . 13 1 1 A 3 3 PRO HA H 3 4.473 4.666 -0.193 1
1 18 . 13 1 1 A 4 4 ILE H H 4 8.270 8.553 -0.283 1
1 19 . 13 1 1 A 4 4 ILE HA H 4 4.156 4.052 0.104 1
1 29 . 13 1 1 A 4 4 ILE N N 4 121.501 121.086 0.415 1
1 30 . 13 1 1 A 5 5 GLY H H 5 8.516 7.292 1.224 1
1 31 . 13 1 1 A 5 5 GLY HA2 H 5 3.952 4.028 -0.076 1
1 32 . 13 1 1 A 5 5 GLY HA3 H 5 3.992 4.028 -0.036 1
1 33 . 13 1 1 A 5 5 GLY N N 5 112.831 107.085 5.746 1
1 34 . 13 1 1 A 6 6 ARG H H 6 8.197 8.558 -0.361 1
1 35 . 13 1 1 A 6 6 ARG HA H 6 4.383 4.444 -0.061 1
1 42 . 13 1 1 A 6 6 ARG N N 6 121.014 121.280 -0.266 1
1 43 . 13 1 1 A 7 7 SER H H 7 8.400 7.721 0.679 1
1 44 . 13 1 1 A 7 7 SER HA H 7 4.472 4.764 -0.292 1
1 47 . 13 1 1 A 7 7 SER N N 7 116.921 115.013 1.908 1
1 48 . 13 1 1 A 8 8 LEU H H 8 8.376 8.513 -0.137 1
1 49 . 13 1 1 A 8 8 LEU HA H 8 4.390 4.238 0.152 1
1 59 . 13 1 1 A 8 8 LEU N N 8 124.394 129.628 -5.234 1
1 60 . 13 1 1 A 9 9 GLN H H 9 8.292 7.663 0.629 1
1 61 . 13 1 1 A 9 9 GLN HA H 9 4.323 4.697 -0.374 1
1 68 . 13 1 1 A 9 9 GLN N N 9 120.593 113.957 6.636 1
1 70 . 13 1 1 A 10 10 GLY H H 10 8.417 8.673 -0.256 1
1 71 . 13 1 1 A 10 10 GLY HA2 H 10 3.992 4.067 -0.075 1
1 72 . 13 1 1 A 10 10 GLY HA3 H 10 3.992 4.067 -0.075 1
1 73 . 13 1 1 A 10 10 GLY N N 10 110.179 107.443 2.736 1
1 74 . 13 1 1 A 11 11 VAL H H 11 8.040 8.753 -0.713 1
1 75 . 13 1 1 A 11 11 VAL HA H 11 4.208 4.061 0.147 1
1 83 . 13 1 1 A 11 11 VAL N N 11 119.334 126.413 -7.079 1
1 84 . 13 1 1 A 12 12 THR H H 12 8.210 8.787 -0.577 1
1 85 . 13 1 1 A 12 12 THR HA H 12 4.285 4.550 -0.265 1
1 90 . 13 1 1 A 12 12 THR N N 12 117.160 117.871 -0.711 1
1 91 . 13 1 1 A 13 13 GLY H H 13 8.388 8.006 0.382 1
1 92 . 13 1 1 A 13 13 GLY HA2 H 13 3.988 4.184 -0.196 1
1 93 . 13 1 1 A 13 13 GLY HA3 H 13 4.027 4.184 -0.157 1
1 94 . 13 1 1 A 13 13 GLY N N 13 111.151 109.983 1.168 1
1 95 . 13 1 1 A 14 14 ARG H H 14 8.169 8.662 -0.493 1
1 96 . 13 1 1 A 14 14 ARG HA H 14 4.668 4.924 -0.256 1
1 103 . 13 1 1 A 14 14 ARG N N 14 121.499 125.386 -3.887 1
1 104 . 13 1 1 A 15 15 PRO HA H 15 4.426 4.610 -0.184 1
1 111 . 13 1 1 A 16 16 ASP H H 16 8.475 8.731 -0.256 1
1 112 . 13 1 1 A 16 16 ASP HA H 16 4.556 4.298 0.258 1
1 115 . 13 1 1 A 16 16 ASP N N 16 119.586 122.416 -2.830 1
1 116 . 13 1 1 A 17 17 PHE H H 17 8.179 8.477 -0.298 1
1 117 . 13 1 1 A 17 17 PHE HA H 17 4.366 4.125 0.241 1
1 125 . 13 1 1 A 17 17 PHE N N 17 121.747 122.644 -0.897 1
1 126 . 13 1 1 A 18 18 GLN H H 18 8.200 8.160 0.040 1
1 127 . 13 1 1 A 18 18 GLN HA H 18 3.998 3.914 0.084 1
1 134 . 13 1 1 A 18 18 GLN N N 18 119.816 117.436 2.380 1
1 136 . 13 1 1 A 19 19 LYS H H 19 7.986 7.497 0.489 1
1 137 . 13 1 1 A 19 19 LYS HA H 19 4.126 4.092 0.034 1
1 146 . 13 1 1 A 19 19 LYS N N 19 120.081 119.629 0.452 1
1 147 . 13 1 1 A 20 20 ARG H H 20 7.918 8.235 -0.317 1
1 148 . 13 1 1 A 20 20 ARG HA H 20 4.125 4.022 0.103 1
1 155 . 13 1 1 A 20 20 ARG N N 20 118.851 118.613 0.238 1
1 156 . 13 1 1 A 21 21 LEU H H 21 7.954 7.955 -0.001 1
1 157 . 13 1 1 A 21 21 LEU HA H 21 4.127 3.756 0.371 1
1 167 . 13 1 1 A 21 21 LEU N N 21 121.258 122.362 -1.104 1
1 168 . 13 1 1 A 22 22 GLU H H 22 8.169 8.190 -0.021 1
1 169 . 13 1 1 A 22 22 GLU HA H 22 3.981 3.984 -0.003 1
1 174 . 13 1 1 A 22 22 GLU N N 22 119.093 118.329 0.764 1
1 175 . 13 1 1 A 23 23 GLN H H 23 8.015 7.633 0.382 1
1 176 . 13 1 1 A 23 23 GLN HA H 23 4.174 4.050 0.124 1
1 183 . 13 1 1 A 23 23 GLN N N 23 119.335 119.832 -0.497 1
1 185 . 13 1 1 A 24 24 MET H H 24 8.209 8.772 -0.563 1
1 186 . 13 1 1 A 24 24 MET HA H 24 4.005 4.164 -0.159 1
1 194 . 13 1 1 A 24 24 MET N N 24 119.750 118.400 1.350 1
1 195 . 13 1 1 A 25 25 LYS H H 25 8.387 8.226 0.161 1
1 196 . 13 1 1 A 25 25 LYS HA H 25 3.797 3.896 -0.099 1
1 205 . 13 1 1 A 25 25 LYS N N 25 119.097 120.234 -1.137 1
1 206 . 13 1 1 A 26 26 GLU H H 26 7.936 7.933 0.003 1
1 207 . 13 1 1 A 26 26 GLU HA H 26 3.989 4.135 -0.146 1
1 212 . 13 1 1 A 26 26 GLU N N 26 117.895 118.710 -0.815 1
1 213 . 13 1 1 A 27 27 LYS H H 27 7.608 7.668 -0.060 1
1 214 . 13 1 1 A 27 27 LYS HA H 27 4.027 4.107 -0.080 1
1 223 . 13 1 1 A 27 27 LYS N N 27 117.438 119.571 -2.133 1
1 224 . 13 1 1 A 28 28 VAL H H 28 8.285 8.083 0.202 1
1 225 . 13 1 1 A 28 28 VAL HA H 28 3.813 3.668 0.145 1
1 233 . 13 1 1 A 28 28 VAL N N 28 118.134 119.977 -1.843 1
1 234 . 13 1 1 A 29 29 MET H H 29 8.030 7.926 0.104 1
1 235 . 13 1 1 A 29 29 MET HA H 29 4.422 4.469 -0.047 1
1 243 . 13 1 1 A 29 29 MET N N 29 112.840 117.300 -4.460 1
1 244 . 13 1 1 A 30 30 LYS H H 30 7.320 7.757 -0.437 1
1 245 . 13 1 1 A 30 30 LYS HA H 30 4.304 4.367 -0.063 1
1 254 . 13 1 1 A 30 30 LYS N N 30 116.038 117.755 -1.717 1
1 255 . 13 1 1 A 31 31 ASP H H 31 7.495 7.498 -0.003 1
1 256 . 13 1 1 A 31 31 ASP HA H 31 4.594 4.714 -0.120 1
1 259 . 13 1 1 A 31 31 ASP N N 31 122.944 121.487 1.457 1
1 260 . 13 1 1 A 32 32 GLN H H 32 9.076 8.947 0.129 1
1 261 . 13 1 1 A 32 32 GLN HA H 32 4.029 3.972 0.057 1
1 268 . 13 1 1 A 32 32 GLN N N 32 126.326 125.161 1.165 1
1 270 . 13 1 1 A 33 33 ASP H H 33 8.456 8.281 0.175 1
1 271 . 13 1 1 A 33 33 ASP HA H 33 4.671 4.562 0.109 1
1 274 . 13 1 1 A 33 33 ASP N N 33 122.586 120.462 2.124 1
1 275 . 13 1 1 A 34 34 VAL H H 34 9.317 8.415 0.902 1
1 276 . 13 1 1 A 34 34 VAL HA H 34 3.521 3.596 -0.075 1
1 284 . 13 1 1 A 34 34 VAL N N 34 124.689 120.584 4.105 1
1 285 . 13 1 1 A 35 35 GLN H H 35 8.633 8.127 0.506 1
1 286 . 13 1 1 A 35 35 GLN HA H 35 3.901 4.003 -0.102 1
1 293 . 13 1 1 A 35 35 GLN N N 35 117.209 118.745 -1.536 1
1 295 . 13 1 1 A 36 36 ALA H H 36 7.935 7.586 0.349 1
1 296 . 13 1 1 A 36 36 ALA HA H 36 4.211 4.150 0.061 1
1 300 . 13 1 1 A 36 36 ALA N N 36 121.503 122.041 -0.538 1
1 301 . 13 1 1 A 37 37 PHE H H 37 7.862 8.492 -0.630 1
1 302 . 13 1 1 A 37 37 PHE HA H 37 4.357 4.510 -0.153 1
1 310 . 13 1 1 A 37 37 PHE N N 37 121.040 120.072 0.968 1
1 311 . 13 1 1 A 38 38 LEU H H 38 8.848 8.616 0.232 1
1 312 . 13 1 1 A 38 38 LEU HA H 38 3.581 3.747 -0.166 1
1 322 . 13 1 1 A 38 38 LEU N N 38 120.561 119.936 0.625 1
1 323 . 13 1 1 A 39 39 LYS H H 39 7.885 8.299 -0.414 1
1 324 . 13 1 1 A 39 39 LYS HA H 39 4.142 3.974 0.168 1
1 333 . 13 1 1 A 39 39 LYS N N 39 118.613 118.317 0.296 1
1 334 . 13 1 1 A 40 40 GLU H H 40 8.134 7.512 0.622 1
1 335 . 13 1 1 A 40 40 GLU HA H 40 4.054 4.099 -0.045 1
1 340 . 13 1 1 A 40 40 GLU N N 40 119.387 118.850 0.537 1
1 341 . 13 1 1 A 41 41 ASN H H 41 7.089 7.340 -0.251 1
1 342 . 13 1 1 A 41 41 ASN HA H 41 4.933 4.908 0.025 1
1 347 . 13 1 1 A 41 41 ASN N N 41 114.032 115.604 -1.572 1
1 349 . 13 1 1 A 42 42 GLU H H 42 7.086 8.243 -1.157 1
1 350 . 13 1 1 A 42 42 GLU HA H 42 3.957 4.007 -0.050 1
1 355 . 13 1 1 A 42 42 GLU N N 42 121.023 119.107 1.916 1
1 356 . 13 1 1 A 43 43 GLU H H 43 8.648 7.713 0.935 1
1 357 . 13 1 1 A 43 43 GLU HA H 43 4.207 4.119 0.088 1
1 362 . 13 1 1 A 43 43 GLU N N 43 115.965 120.521 -4.556 1
1 363 . 13 1 1 A 44 44 VAL H H 44 7.526 7.176 0.350 1
1 364 . 13 1 1 A 44 44 VAL HA H 44 4.445 4.044 0.401 1
1 372 . 13 1 1 A 44 44 VAL N N 44 110.987 117.639 -6.652 1
1 373 . 13 1 1 A 45 45 ILE H H 45 7.246 7.920 -0.674 1
1 374 . 13 1 1 A 45 45 ILE HA H 45 4.531 4.250 0.281 1
1 384 . 13 1 1 A 45 45 ILE N N 45 119.815 117.855 1.960 1
1 385 . 13 1 1 A 46 46 ASP H H 46 7.351 8.534 -1.183 1
1 386 . 13 1 1 A 46 46 ASP HA H 46 4.958 4.982 -0.024 1
1 389 . 13 1 1 A 46 46 ASP N N 46 124.659 126.061 -1.402 1
1 390 . 13 1 1 A 47 47 GLN H H 47 8.504 8.883 -0.379 1
1 391 . 13 1 1 A 47 47 GLN HA H 47 3.949 3.925 0.024 1
1 398 . 13 1 1 A 47 47 GLN N N 47 117.654 118.550 -0.896 1
1 400 . 13 1 1 A 48 48 LYS H H 48 8.030 8.077 -0.047 1
1 401 . 13 1 1 A 48 48 LYS HA H 48 4.132 4.066 0.066 1
1 410 . 13 1 1 A 48 48 LYS N N 48 119.335 119.931 -0.596 1
1 411 . 13 1 1 A 49 49 MET H H 49 8.250 8.068 0.182 1
1 412 . 13 1 1 A 49 49 MET HA H 49 4.132 4.219 -0.087 1
1 420 . 13 1 1 A 49 49 MET N N 49 120.061 118.584 1.477 1
1 421 . 13 1 1 A 50 50 ILE H H 50 7.726 8.114 -0.388 1
1 422 . 13 1 1 A 50 50 ILE HA H 50 3.379 3.639 -0.260 1
1 432 . 13 1 1 A 50 50 ILE N N 50 120.912 119.710 1.202 1
1 433 . 13 1 1 A 51 51 GLU H H 51 8.044 8.198 -0.154 1
1 434 . 13 1 1 A 51 51 GLU HA H 51 3.906 4.033 -0.127 1
1 439 . 13 1 1 A 51 51 GLU N N 51 117.413 118.974 -1.561 1
1 440 . 13 1 1 A 52 52 LYS H H 52 8.249 8.069 0.180 1
1 441 . 13 1 1 A 52 52 LYS HA H 52 4.318 4.135 0.183 1
1 450 . 13 1 1 A 52 52 LYS N N 52 117.183 120.421 -3.238 1
1 451 . 13 1 1 A 53 53 SER H H 53 7.664 8.243 -0.579 1
1 452 . 13 1 1 A 53 53 SER HA H 53 5.067 4.921 0.146 1
1 455 . 13 1 1 A 53 53 SER N N 53 113.070 113.697 -0.627 1
1 456 . 13 1 1 A 54 54 LEU H H 54 7.375 7.715 -0.340 1
1 457 . 13 1 1 A 54 54 LEU HA H 54 3.980 3.977 0.003 1
1 467 . 13 1 1 A 54 54 LEU N N 54 123.828 123.418 0.410 1
1 468 . 13 1 1 A 55 55 ASN H H 55 8.705 8.481 0.224 1
1 469 . 13 1 1 A 55 55 ASN HA H 55 4.434 4.576 -0.142 1
1 474 . 13 1 1 A 55 55 ASN N N 55 114.672 116.332 -1.660 1
1 476 . 13 1 1 A 56 56 LYS H H 56 7.685 7.809 -0.124 1
1 477 . 13 1 1 A 56 56 LYS HA H 56 4.289 4.125 0.164 1
1 486 . 13 1 1 A 56 56 LYS N N 56 121.417 119.316 2.101 1
1 487 . 13 1 1 A 57 57 LEU H H 57 8.120 8.189 -0.069 1
1 488 . 13 1 1 A 57 57 LEU HA H 57 3.948 3.999 -0.051 1
1 498 . 13 1 1 A 57 57 LEU N N 57 118.616 119.487 -0.871 1
1 499 . 13 1 1 A 58 58 TYR H H 58 8.659 8.802 -0.143 1
1 500 . 13 1 1 A 58 58 TYR HA H 58 4.124 4.050 0.074 1
1 507 . 13 1 1 A 58 58 TYR N N 58 119.812 119.709 0.103 1
1 508 . 13 1 1 A 59 59 GLU H H 59 7.999 8.534 -0.535 1
1 509 . 13 1 1 A 59 59 GLU HA H 59 3.945 3.987 -0.042 1
1 514 . 13 1 1 A 59 59 GLU N N 59 118.851 119.442 -0.591 1
1 515 . 13 1 1 A 60 60 TYR H H 60 8.132 8.159 -0.027 1
1 516 . 13 1 1 A 60 60 TYR HA H 60 4.056 4.124 -0.068 1
1 523 . 13 1 1 A 60 60 TYR N N 60 118.616 121.037 -2.421 1
1 524 . 13 1 1 A 61 61 ILE H H 61 7.985 7.932 0.053 1
1 525 . 13 1 1 A 61 61 ILE HA H 61 3.638 3.506 0.132 1
1 535 . 13 1 1 A 61 61 ILE N N 61 115.242 118.066 -2.824 1
1 536 . 13 1 1 A 62 62 GLU H H 62 7.409 7.276 0.133 1
1 537 . 13 1 1 A 62 62 GLU HA H 62 4.056 4.156 -0.100 1
1 542 . 13 1 1 A 62 62 GLU N N 62 118.370 119.819 -1.449 1
1 543 . 13 1 1 A 63 63 GLN H H 63 7.320 7.198 0.122 1
1 544 . 13 1 1 A 63 63 GLN HA H 63 4.583 4.358 0.225 1
1 551 . 13 1 1 A 63 63 GLN N N 63 118.398 119.297 -0.899 1
1 553 . 13 1 1 A 64 64 SER H H 64 8.134 8.739 -0.605 1
1 554 . 13 1 1 A 64 64 SER HA H 64 4.122 4.284 -0.162 1
1 557 . 13 1 1 A 64 64 SER N N 64 115.490 118.666 -3.176 1
1 558 . 13 1 1 A 65 65 LYS H H 65 8.663 8.544 0.119 1
1 559 . 13 1 1 A 65 65 LYS HA H 65 4.132 4.168 -0.036 1
1 562 . 13 1 1 A 65 65 LYS N N 65 122.473 127.076 -4.603 1
1 563 . 13 1 1 A 66 66 ASN H H 66 8.010 7.561 0.449 1
1 564 . 13 1 1 A 66 66 ASN HA H 66 3.809 4.158 -0.349 1
1 569 . 13 1 1 A 66 66 ASN N N 66 117.420 116.613 0.807 1
1 571 . 13 1 1 A 67 67 CYS H H 67 7.649 8.276 -0.627 1
1 572 . 13 1 1 A 67 67 CYS HA H 67 5.108 4.888 0.220 1
1 575 . 13 1 1 A 67 67 CYS N N 67 116.684 117.215 -0.531 1
1 576 . 13 1 1 A 68 68 SER H H 68 8.891 9.113 -0.222 1
1 577 . 13 1 1 A 68 68 SER HA H 68 4.379 4.870 -0.491 1
1 580 . 13 1 1 A 68 68 SER N N 68 115.241 119.693 -4.452 1
1 581 . 13 1 1 A 69 69 TYR H H 69 9.864 7.584 2.280 1
1 582 . 13 1 1 A 69 69 TYR HA H 69 4.569 4.401 0.168 1
1 589 . 13 1 1 A 69 69 TYR N N 69 124.277 121.017 3.260 1
1 590 . 13 1 1 A 70 70 CYS H H 70 7.841 8.077 -0.236 1
1 591 . 13 1 1 A 70 70 CYS HA H 70 4.920 4.808 0.112 1
1 594 . 13 1 1 A 70 70 CYS N N 70 115.300 115.658 -0.358 1
1 595 . 13 1 1 A 71 71 SER H H 71 8.032 8.547 -0.515 1
1 596 . 13 1 1 A 71 71 SER HA H 71 4.673 4.924 -0.251 1
1 599 . 13 1 1 A 71 71 SER N N 71 119.327 115.890 3.437 1
1 600 . 13 1 1 A 72 72 GLU H H 72 8.701 8.644 0.057 1
1 601 . 13 1 1 A 72 72 GLU HA H 72 4.459 4.469 -0.010 1
1 606 . 13 1 1 A 72 72 GLU N N 72 122.947 120.127 2.820 1
1 607 . 13 1 1 A 73 73 ASP H H 73 8.053 7.664 0.389 1
1 608 . 13 1 1 A 73 73 ASP HA H 73 4.529 4.502 0.027 1
1 611 . 13 1 1 A 73 73 ASP N N 73 120.929 122.085 -1.156 1
1 612 . 13 1 1 A 74 74 GLU H H 74 8.754 9.112 -0.358 1
1 613 . 13 1 1 A 74 74 GLU HA H 74 4.251 4.212 0.039 1
1 618 . 13 1 1 A 74 74 GLU N N 74 122.241 126.769 -4.528 1
1 619 . 13 1 1 A 75 75 ASN H H 75 8.564 7.797 0.767 1
1 620 . 13 1 1 A 75 75 ASN HA H 75 4.803 4.814 -0.011 1
1 625 . 13 1 1 A 75 75 ASN N N 75 117.681 114.717 2.964 1
1 627 . 13 1 1 A 76 76 CYS H H 76 7.923 7.569 0.354 1
1 628 . 13 1 1 A 76 76 CYS HA H 76 4.377 5.109 -0.732 1
1 631 . 13 1 1 A 76 76 CYS N N 76 120.055 115.814 4.241 1
1 632 . 13 1 1 A 77 77 ASN H H 77 8.717 8.726 -0.009 1
1 633 . 13 1 1 A 77 77 ASN HA H 77 4.759 5.040 -0.281 1
1 638 . 13 1 1 A 77 77 ASN N N 77 122.469 122.491 -0.022 1
1 640 . 13 1 1 A 78 78 ASN H H 78 8.564 8.595 -0.031 1
1 641 . 13 1 1 A 78 78 ASN HA H 78 4.772 5.557 -0.785 1
1 646 . 13 1 1 A 78 78 ASN N N 78 121.986 120.275 1.711 1
1 648 . 13 1 1 A 79 79 LEU H H 79 8.160 8.593 -0.433 1
1 649 . 13 1 1 A 79 79 LEU HA H 79 4.282 4.003 0.279 1
1 659 . 13 1 1 A 79 79 LEU N N 79 122.221 125.388 -3.167 1
1 660 . 13 1 1 A 80 80 LEU H H 80 8.034 7.636 0.398 1
1 661 . 13 1 1 A 80 80 LEU HA H 80 4.391 4.313 0.078 1
1 671 . 13 1 1 A 80 80 LEU N N 80 121.024 119.723 1.301 1
1 672 . 13 1 1 A 81 81 GLU H H 81 8.105 9.015 -0.910 1
1 673 . 13 1 1 A 81 81 GLU HA H 81 4.298 4.769 -0.471 1
1 678 . 13 1 1 A 81 81 GLU N N 81 122.466 121.916 0.550 1
1 679 . 13 1 1 A 82 82 GLY H H 82 8.274 8.827 -0.553 1
1 680 . 13 1 1 A 82 82 GLY HA2 H 82 3.852 3.712 0.140 1
1 681 . 13 1 1 A 82 82 GLY HA3 H 82 3.988 3.752 0.236 1
1 682 . 13 1 1 A 82 82 GLY N N 82 112.347 113.582 -1.235 1
1 683 . 13 1 1 A 83 83 TYR H H 83 7.850 8.196 -0.346 1
1 684 . 13 1 1 A 83 83 TYR HA H 83 5.113 5.429 -0.316 1
1 691 . 13 1 1 A 83 83 TYR N N 83 118.873 118.315 0.558 1
1 692 . 13 1 1 A 84 84 HIS H H 84 9.473 9.160 0.313 1
1 693 . 13 1 1 A 84 84 HIS HA H 84 5.117 4.850 0.267 1
1 698 . 13 1 1 A 84 84 HIS N N 84 120.297 118.865 1.432 1
1 699 . 13 1 1 A 85 85 PRO HA H 85 4.678 4.116 0.562 1
1 706 . 13 1 1 A 86 86 LYS H H 86 9.027 8.954 0.073 1
1 707 . 13 1 1 A 86 86 LYS HA H 86 4.709 5.143 -0.434 1
1 716 . 13 1 1 A 86 86 LYS N N 86 119.573 116.906 2.667 1
1 717 . 13 1 1 A 87 87 LEU H H 87 7.785 7.857 -0.072 1
1 718 . 13 1 1 A 87 87 LEU HA H 87 4.414 4.140 0.274 1
1 727 . 13 1 1 A 87 87 LEU N N 87 123.673 122.462 1.211 1
1 728 . 13 1 1 A 88 88 VAL H H 88 8.443 8.978 -0.535 1
1 729 . 13 1 1 A 88 88 VAL HA H 88 4.616 4.994 -0.378 1
1 737 . 13 1 1 A 88 88 VAL N N 88 115.720 118.606 -2.886 1
1 738 . 13 1 1 A 89 89 VAL H H 89 8.621 8.735 -0.114 1
1 739 . 13 1 1 A 89 89 VAL HA H 89 4.471 4.718 -0.247 1
1 747 . 13 1 1 A 89 89 VAL N N 89 122.477 124.643 -2.166 1
1 748 . 13 1 1 A 90 90 ASN H H 90 8.721 9.226 -0.505 1
1 749 . 13 1 1 A 90 90 ASN HA H 90 5.020 5.057 -0.037 1
1 754 . 13 1 1 A 90 90 ASN N N 90 127.524 128.010 -0.486 1
1 756 . 13 1 1 A 91 91 GLY H H 91 9.006 8.917 0.089 1
1 757 . 13 1 1 A 91 91 GLY HA2 H 91 3.639 3.872 -0.233 1
1 758 . 13 1 1 A 91 91 GLY HA3 H 91 3.993 3.874 0.119 1
1 759 . 13 1 1 A 91 91 GLY N N 91 115.517 115.889 -0.372 1
1 760 . 13 1 1 A 92 92 ARG H H 92 8.675 8.600 0.075 1
1 761 . 13 1 1 A 92 92 ARG HA H 92 4.530 4.354 0.176 1
1 768 . 13 1 1 A 92 92 ARG N N 92 125.836 126.564 -0.728 1
1 769 . 13 1 1 A 93 93 SER H H 93 7.875 7.846 0.029 1
1 770 . 13 1 1 A 93 93 SER HA H 93 4.707 5.197 -0.490 1
1 773 . 13 1 1 A 93 93 SER N N 93 114.996 112.419 2.577 1
1 774 . 13 1 1 A 94 94 ILE H H 94 7.943 8.614 -0.671 1
1 775 . 13 1 1 A 94 94 ILE HA H 94 4.694 4.824 -0.130 1
1 785 . 13 1 1 A 94 94 ILE N N 94 123.668 122.335 1.333 1
1 786 . 13 1 1 A 95 95 ASP H H 95 8.975 9.323 -0.348 1
1 787 . 13 1 1 A 95 95 ASP HA H 95 4.995 5.499 -0.504 1
1 790 . 13 1 1 A 95 95 ASP N N 95 128.002 127.287 0.715 1
1 791 . 13 1 1 A 96 96 ILE H H 96 8.672 8.572 0.100 1
1 792 . 13 1 1 A 96 96 ILE HA H 96 4.669 4.944 -0.275 1
1 802 . 13 1 1 A 96 96 ILE N N 96 118.150 121.044 -2.894 1
1 803 . 13 1 1 A 97 97 GLU H H 97 8.990 9.016 -0.026 1
1 804 . 13 1 1 A 97 97 GLU HA H 97 4.604 5.066 -0.462 1
1 809 . 13 1 1 A 97 97 GLU N N 97 128.072 126.275 1.797 1
1 810 . 13 1 1 A 98 98 TYR H H 98 8.544 9.052 -0.508 1
1 811 . 13 1 1 A 98 98 TYR HA H 98 5.662 6.019 -0.357 1
1 818 . 13 1 1 A 98 98 TYR N N 98 118.130 119.039 -0.909 1
1 819 . 13 1 1 A 99 99 TYR H H 99 9.389 9.368 0.021 1
1 820 . 13 1 1 A 99 99 TYR HA H 99 5.258 5.894 -0.636 1
1 827 . 13 1 1 A 99 99 TYR N N 99 121.021 120.149 0.872 1
1 828 . 13 1 1 A 100 100 GLU H H 100 8.942 8.572 0.370 1
1 829 . 13 1 1 A 100 100 GLU HA H 100 3.495 3.934 -0.439 1
1 834 . 13 1 1 A 100 100 GLU N N 100 122.954 120.937 2.017 1
1 835 . 13 1 1 A 101 101 CYS H H 101 7.742 8.679 -0.937 1
1 836 . 13 1 1 A 101 101 CYS HA H 101 3.342 4.021 -0.679 1
1 839 . 13 1 1 A 101 101 CYS N N 101 125.649 125.233 0.416 1
1 840 . 13 1 1 A 102 102 PRO HA H 102 4.415 4.472 -0.057 1
1 847 . 13 1 1 A 103 103 VAL H H 103 8.493 7.503 0.990 1
1 848 . 13 1 1 A 103 103 VAL HA H 103 3.990 4.008 -0.018 1
1 856 . 13 1 1 A 103 103 VAL N N 103 121.026 116.308 4.718 1
1 857 . 13 1 1 A 104 104 LYS H H 104 7.585 7.723 -0.138 1
1 858 . 13 1 1 A 104 104 LYS HA H 104 3.972 4.061 -0.089 1
1 867 . 13 1 1 A 104 104 LYS N N 104 122.941 121.420 1.521 1
1 868 . 13 1 1 A 105 105 ARG H H 105 7.848 7.650 0.198 1
1 869 . 13 1 1 A 105 105 ARG HA H 105 4.276 4.924 -0.648 1
1 876 . 13 1 1 A 105 105 ARG N N 105 121.986 119.010 2.976 1
1 6 . 14 1 1 A 2 2 GLU HA H 2 4.671 4.636 0.035 1
1 11 . 14 1 1 A 3 3 PRO HA H 3 4.473 4.724 -0.251 1
1 18 . 14 1 1 A 4 4 ILE H H 4 8.270 8.165 0.105 1
1 19 . 14 1 1 A 4 4 ILE HA H 4 4.156 4.881 -0.725 1
1 29 . 14 1 1 A 4 4 ILE N N 4 121.501 124.343 -2.842 1
1 30 . 14 1 1 A 5 5 GLY H H 5 8.516 8.974 -0.458 1
1 31 . 14 1 1 A 5 5 GLY HA2 H 5 3.952 4.178 -0.226 1
1 32 . 14 1 1 A 5 5 GLY HA3 H 5 3.992 4.178 -0.186 1
1 33 . 14 1 1 A 5 5 GLY N N 5 112.831 115.577 -2.746 1
1 34 . 14 1 1 A 6 6 ARG H H 6 8.197 8.737 -0.540 1
1 35 . 14 1 1 A 6 6 ARG HA H 6 4.383 4.574 -0.191 1
1 42 . 14 1 1 A 6 6 ARG N N 6 121.014 125.704 -4.690 1
1 43 . 14 1 1 A 7 7 SER H H 7 8.400 8.849 -0.449 1
1 44 . 14 1 1 A 7 7 SER HA H 7 4.472 4.604 -0.132 1
1 47 . 14 1 1 A 7 7 SER N N 7 116.921 120.227 -3.306 1
1 48 . 14 1 1 A 8 8 LEU H H 8 8.376 8.603 -0.227 1
1 49 . 14 1 1 A 8 8 LEU HA H 8 4.390 4.552 -0.162 1
1 59 . 14 1 1 A 8 8 LEU N N 8 124.394 128.448 -4.054 1
1 60 . 14 1 1 A 9 9 GLN H H 9 8.292 8.154 0.138 1
1 61 . 14 1 1 A 9 9 GLN HA H 9 4.323 5.009 -0.686 1
1 68 . 14 1 1 A 9 9 GLN N N 9 120.593 120.902 -0.309 1
1 70 . 14 1 1 A 10 10 GLY H H 10 8.417 8.379 0.038 1
1 71 . 14 1 1 A 10 10 GLY HA2 H 10 3.992 4.307 -0.315 1
1 72 . 14 1 1 A 10 10 GLY HA3 H 10 3.992 4.307 -0.315 1
1 73 . 14 1 1 A 10 10 GLY N N 10 110.179 105.954 4.225 1
1 74 . 14 1 1 A 11 11 VAL H H 11 8.040 8.754 -0.714 1
1 75 . 14 1 1 A 11 11 VAL HA H 11 4.208 4.287 -0.079 1
1 83 . 14 1 1 A 11 11 VAL N N 11 119.334 121.257 -1.923 1
1 84 . 14 1 1 A 12 12 THR H H 12 8.210 8.862 -0.652 1
1 85 . 14 1 1 A 12 12 THR HA H 12 4.285 4.737 -0.452 1
1 90 . 14 1 1 A 12 12 THR N N 12 117.160 121.773 -4.613 1
1 91 . 14 1 1 A 13 13 GLY H H 13 8.388 8.694 -0.306 1
1 92 . 14 1 1 A 13 13 GLY HA2 H 13 3.988 4.037 -0.049 1
1 93 . 14 1 1 A 13 13 GLY HA3 H 13 4.027 4.038 -0.011 1
1 94 . 14 1 1 A 13 13 GLY N N 13 111.151 111.200 -0.049 1
1 95 . 14 1 1 A 14 14 ARG H H 14 8.169 8.440 -0.271 1
1 96 . 14 1 1 A 14 14 ARG HA H 14 4.668 4.887 -0.219 1
1 103 . 14 1 1 A 14 14 ARG N N 14 121.499 121.568 -0.069 1
1 104 . 14 1 1 A 15 15 PRO HA H 15 4.426 4.538 -0.112 1
1 111 . 14 1 1 A 16 16 ASP H H 16 8.475 9.091 -0.616 1
1 112 . 14 1 1 A 16 16 ASP HA H 16 4.556 4.398 0.158 1
1 115 . 14 1 1 A 16 16 ASP N N 16 119.586 125.163 -5.577 1
1 116 . 14 1 1 A 17 17 PHE H H 17 8.179 8.325 -0.146 1
1 117 . 14 1 1 A 17 17 PHE HA H 17 4.366 4.068 0.298 1
1 125 . 14 1 1 A 17 17 PHE N N 17 121.747 120.635 1.112 1
1 126 . 14 1 1 A 18 18 GLN H H 18 8.200 8.412 -0.212 1
1 127 . 14 1 1 A 18 18 GLN HA H 18 3.998 3.745 0.253 1
1 134 . 14 1 1 A 18 18 GLN N N 18 119.816 117.639 2.177 1
1 136 . 14 1 1 A 19 19 LYS H H 19 7.986 7.460 0.526 1
1 137 . 14 1 1 A 19 19 LYS HA H 19 4.126 4.069 0.057 1
1 146 . 14 1 1 A 19 19 LYS N N 19 120.081 119.529 0.552 1
1 147 . 14 1 1 A 20 20 ARG H H 20 7.918 7.609 0.309 1
1 148 . 14 1 1 A 20 20 ARG HA H 20 4.125 3.994 0.131 1
1 155 . 14 1 1 A 20 20 ARG N N 20 118.851 119.143 -0.292 1
1 156 . 14 1 1 A 21 21 LEU H H 21 7.954 8.215 -0.261 1
1 157 . 14 1 1 A 21 21 LEU HA H 21 4.127 3.771 0.356 1
1 167 . 14 1 1 A 21 21 LEU N N 21 121.258 120.872 0.386 1
1 168 . 14 1 1 A 22 22 GLU H H 22 8.169 8.445 -0.276 1
1 169 . 14 1 1 A 22 22 GLU HA H 22 3.981 3.981 0.000 1
1 174 . 14 1 1 A 22 22 GLU N N 22 119.093 118.170 0.923 1
1 175 . 14 1 1 A 23 23 GLN H H 23 8.015 7.808 0.207 1
1 176 . 14 1 1 A 23 23 GLN HA H 23 4.174 4.057 0.117 1
1 183 . 14 1 1 A 23 23 GLN N N 23 119.335 120.243 -0.908 1
1 185 . 14 1 1 A 24 24 MET H H 24 8.209 8.890 -0.681 1
1 186 . 14 1 1 A 24 24 MET HA H 24 4.005 4.133 -0.128 1
1 194 . 14 1 1 A 24 24 MET N N 24 119.750 118.622 1.128 1
1 195 . 14 1 1 A 25 25 LYS H H 25 8.387 7.828 0.559 1
1 196 . 14 1 1 A 25 25 LYS HA H 25 3.797 3.899 -0.102 1
1 205 . 14 1 1 A 25 25 LYS N N 25 119.097 120.342 -1.245 1
1 206 . 14 1 1 A 26 26 GLU H H 26 7.936 8.135 -0.199 1
1 207 . 14 1 1 A 26 26 GLU HA H 26 3.989 3.983 0.006 1
1 212 . 14 1 1 A 26 26 GLU N N 26 117.895 118.815 -0.920 1
1 213 . 14 1 1 A 27 27 LYS H H 27 7.608 8.216 -0.608 1
1 214 . 14 1 1 A 27 27 LYS HA H 27 4.027 4.088 -0.061 1
1 223 . 14 1 1 A 27 27 LYS N N 27 117.438 118.743 -1.305 1
1 224 . 14 1 1 A 28 28 VAL H H 28 8.285 7.996 0.289 1
1 225 . 14 1 1 A 28 28 VAL HA H 28 3.813 3.713 0.100 1
1 233 . 14 1 1 A 28 28 VAL N N 28 118.134 119.187 -1.053 1
1 234 . 14 1 1 A 29 29 MET H H 29 8.030 7.914 0.116 1
1 235 . 14 1 1 A 29 29 MET HA H 29 4.422 4.459 -0.037 1
1 243 . 14 1 1 A 29 29 MET N N 29 112.840 117.562 -4.722 1
1 244 . 14 1 1 A 30 30 LYS H H 30 7.320 7.571 -0.251 1
1 245 . 14 1 1 A 30 30 LYS HA H 30 4.304 4.348 -0.044 1
1 254 . 14 1 1 A 30 30 LYS N N 30 116.038 117.316 -1.278 1
1 255 . 14 1 1 A 31 31 ASP H H 31 7.495 7.568 -0.073 1
1 256 . 14 1 1 A 31 31 ASP HA H 31 4.594 4.721 -0.127 1
1 259 . 14 1 1 A 31 31 ASP N N 31 122.944 120.936 2.008 1
1 260 . 14 1 1 A 32 32 GLN H H 32 9.076 8.839 0.237 1
1 261 . 14 1 1 A 32 32 GLN HA H 32 4.029 4.107 -0.078 1
1 268 . 14 1 1 A 32 32 GLN N N 32 126.326 125.728 0.598 1
1 270 . 14 1 1 A 33 33 ASP H H 33 8.456 7.694 0.762 1
1 271 . 14 1 1 A 33 33 ASP HA H 33 4.671 4.645 0.026 1
1 274 . 14 1 1 A 33 33 ASP N N 33 122.586 120.390 2.196 1
1 275 . 14 1 1 A 34 34 VAL H H 34 9.317 8.280 1.037 1
1 276 . 14 1 1 A 34 34 VAL HA H 34 3.521 3.567 -0.046 1
1 284 . 14 1 1 A 34 34 VAL N N 34 124.689 120.486 4.203 1
1 285 . 14 1 1 A 35 35 GLN H H 35 8.633 8.321 0.312 1
1 286 . 14 1 1 A 35 35 GLN HA H 35 3.901 4.117 -0.216 1
1 293 . 14 1 1 A 35 35 GLN N N 35 117.209 117.618 -0.409 1
1 295 . 14 1 1 A 36 36 ALA H H 36 7.935 7.953 -0.018 1
1 296 . 14 1 1 A 36 36 ALA HA H 36 4.211 4.176 0.035 1
1 300 . 14 1 1 A 36 36 ALA N N 36 121.503 122.631 -1.128 1
1 301 . 14 1 1 A 37 37 PHE H H 37 7.862 8.099 -0.237 1
1 302 . 14 1 1 A 37 37 PHE HA H 37 4.357 4.339 0.018 1
1 310 . 14 1 1 A 37 37 PHE N N 37 121.040 119.819 1.221 1
1 311 . 14 1 1 A 38 38 LEU H H 38 8.848 8.803 0.045 1
1 312 . 14 1 1 A 38 38 LEU HA H 38 3.581 3.667 -0.086 1
1 322 . 14 1 1 A 38 38 LEU N N 38 120.561 119.574 0.987 1
1 323 . 14 1 1 A 39 39 LYS H H 39 7.885 8.494 -0.609 1
1 324 . 14 1 1 A 39 39 LYS HA H 39 4.142 4.017 0.125 1
1 333 . 14 1 1 A 39 39 LYS N N 39 118.613 118.805 -0.192 1
1 334 . 14 1 1 A 40 40 GLU H H 40 8.134 7.583 0.551 1
1 335 . 14 1 1 A 40 40 GLU HA H 40 4.054 4.124 -0.070 1
1 340 . 14 1 1 A 40 40 GLU N N 40 119.387 118.977 0.410 1
1 341 . 14 1 1 A 41 41 ASN H H 41 7.089 7.408 -0.319 1
1 342 . 14 1 1 A 41 41 ASN HA H 41 4.933 4.933 0.000 1
1 347 . 14 1 1 A 41 41 ASN N N 41 114.032 115.826 -1.794 1
1 349 . 14 1 1 A 42 42 GLU H H 42 7.086 8.193 -1.107 1
1 350 . 14 1 1 A 42 42 GLU HA H 42 3.957 3.941 0.016 1
1 355 . 14 1 1 A 42 42 GLU N N 42 121.023 119.309 1.714 1
1 356 . 14 1 1 A 43 43 GLU H H 43 8.648 7.667 0.981 1
1 357 . 14 1 1 A 43 43 GLU HA H 43 4.207 4.110 0.097 1
1 362 . 14 1 1 A 43 43 GLU N N 43 115.965 120.337 -4.372 1
1 363 . 14 1 1 A 44 44 VAL H H 44 7.526 7.336 0.190 1
1 364 . 14 1 1 A 44 44 VAL HA H 44 4.445 3.999 0.446 1
1 372 . 14 1 1 A 44 44 VAL N N 44 110.987 117.426 -6.439 1
1 373 . 14 1 1 A 45 45 ILE H H 45 7.246 7.895 -0.649 1
1 374 . 14 1 1 A 45 45 ILE HA H 45 4.531 4.064 0.467 1
1 384 . 14 1 1 A 45 45 ILE N N 45 119.815 119.233 0.582 1
1 385 . 14 1 1 A 46 46 ASP H H 46 7.351 8.368 -1.017 1
1 386 . 14 1 1 A 46 46 ASP HA H 46 4.958 4.957 0.001 1
1 389 . 14 1 1 A 46 46 ASP N N 46 124.659 125.423 -0.764 1
1 390 . 14 1 1 A 47 47 GLN H H 47 8.504 8.893 -0.389 1
1 391 . 14 1 1 A 47 47 GLN HA H 47 3.949 3.932 0.017 1
1 398 . 14 1 1 A 47 47 GLN N N 47 117.654 119.061 -1.407 1
1 400 . 14 1 1 A 48 48 LYS H H 48 8.030 7.588 0.442 1
1 401 . 14 1 1 A 48 48 LYS HA H 48 4.132 4.061 0.071 1
1 410 . 14 1 1 A 48 48 LYS N N 48 119.335 119.563 -0.228 1
1 411 . 14 1 1 A 49 49 MET H H 49 8.250 8.148 0.102 1
1 412 . 14 1 1 A 49 49 MET HA H 49 4.132 4.215 -0.083 1
1 420 . 14 1 1 A 49 49 MET N N 49 120.061 118.799 1.262 1
1 421 . 14 1 1 A 50 50 ILE H H 50 7.726 7.962 -0.236 1
1 422 . 14 1 1 A 50 50 ILE HA H 50 3.379 3.618 -0.239 1
1 432 . 14 1 1 A 50 50 ILE N N 50 120.912 120.470 0.442 1
1 433 . 14 1 1 A 51 51 GLU H H 51 8.044 8.260 -0.216 1
1 434 . 14 1 1 A 51 51 GLU HA H 51 3.906 3.980 -0.074 1
1 439 . 14 1 1 A 51 51 GLU N N 51 117.413 118.802 -1.389 1
1 440 . 14 1 1 A 52 52 LYS H H 52 8.249 7.839 0.410 1
1 441 . 14 1 1 A 52 52 LYS HA H 52 4.318 4.111 0.207 1
1 450 . 14 1 1 A 52 52 LYS N N 52 117.183 120.032 -2.849 1
1 451 . 14 1 1 A 53 53 SER H H 53 7.664 7.962 -0.298 1
1 452 . 14 1 1 A 53 53 SER HA H 53 5.067 4.901 0.166 1
1 455 . 14 1 1 A 53 53 SER N N 53 113.070 114.725 -1.655 1
1 456 . 14 1 1 A 54 54 LEU H H 54 7.375 7.731 -0.356 1
1 457 . 14 1 1 A 54 54 LEU HA H 54 3.980 4.023 -0.043 1
1 467 . 14 1 1 A 54 54 LEU N N 54 123.828 123.205 0.623 1
1 468 . 14 1 1 A 55 55 ASN H H 55 8.705 8.599 0.106 1
1 469 . 14 1 1 A 55 55 ASN HA H 55 4.434 4.488 -0.054 1
1 474 . 14 1 1 A 55 55 ASN N N 55 114.672 115.935 -1.263 1
1 476 . 14 1 1 A 56 56 LYS H H 56 7.685 7.858 -0.173 1
1 477 . 14 1 1 A 56 56 LYS HA H 56 4.289 4.087 0.202 1
1 486 . 14 1 1 A 56 56 LYS N N 56 121.417 120.090 1.327 1
1 487 . 14 1 1 A 57 57 LEU H H 57 8.120 8.274 -0.154 1
1 488 . 14 1 1 A 57 57 LEU HA H 57 3.948 4.008 -0.060 1
1 498 . 14 1 1 A 57 57 LEU N N 57 118.616 119.516 -0.900 1
1 499 . 14 1 1 A 58 58 TYR H H 58 8.659 8.685 -0.026 1
1 500 . 14 1 1 A 58 58 TYR HA H 58 4.124 4.077 0.047 1
1 507 . 14 1 1 A 58 58 TYR N N 58 119.812 119.473 0.339 1
1 508 . 14 1 1 A 59 59 GLU H H 59 7.999 8.586 -0.587 1
1 509 . 14 1 1 A 59 59 GLU HA H 59 3.945 3.973 -0.028 1
1 514 . 14 1 1 A 59 59 GLU N N 59 118.851 119.506 -0.655 1
1 515 . 14 1 1 A 60 60 TYR H H 60 8.132 8.142 -0.010 1
1 516 . 14 1 1 A 60 60 TYR HA H 60 4.056 4.088 -0.032 1
1 523 . 14 1 1 A 60 60 TYR N N 60 118.616 120.484 -1.868 1
1 524 . 14 1 1 A 61 61 ILE H H 61 7.985 7.608 0.377 1
1 525 . 14 1 1 A 61 61 ILE HA H 61 3.638 3.584 0.054 1
1 535 . 14 1 1 A 61 61 ILE N N 61 115.242 117.333 -2.091 1
1 536 . 14 1 1 A 62 62 GLU H H 62 7.409 7.347 0.062 1
1 537 . 14 1 1 A 62 62 GLU HA H 62 4.056 4.160 -0.104 1
1 542 . 14 1 1 A 62 62 GLU N N 62 118.370 120.011 -1.641 1
1 543 . 14 1 1 A 63 63 GLN H H 63 7.320 7.202 0.118 1
1 544 . 14 1 1 A 63 63 GLN HA H 63 4.583 4.316 0.267 1
1 551 . 14 1 1 A 63 63 GLN N N 63 118.398 118.462 -0.064 1
1 553 . 14 1 1 A 64 64 SER H H 64 8.134 8.796 -0.662 1
1 554 . 14 1 1 A 64 64 SER HA H 64 4.122 4.293 -0.171 1
1 557 . 14 1 1 A 64 64 SER N N 64 115.490 116.693 -1.203 1
1 558 . 14 1 1 A 65 65 LYS H H 65 8.663 8.699 -0.036 1
1 559 . 14 1 1 A 65 65 LYS HA H 65 4.132 3.998 0.134 1
1 562 . 14 1 1 A 65 65 LYS N N 65 122.473 127.372 -4.899 1
1 563 . 14 1 1 A 66 66 ASN H H 66 8.010 7.671 0.339 1
1 564 . 14 1 1 A 66 66 ASN HA H 66 3.809 4.702 -0.893 1
1 569 . 14 1 1 A 66 66 ASN N N 66 117.420 115.021 2.399 1
1 571 . 14 1 1 A 67 67 CYS H H 67 7.649 8.070 -0.421 1
1 572 . 14 1 1 A 67 67 CYS HA H 67 5.108 4.777 0.331 1
1 575 . 14 1 1 A 67 67 CYS N N 67 116.684 116.117 0.567 1
1 576 . 14 1 1 A 68 68 SER H H 68 8.891 9.037 -0.146 1
1 577 . 14 1 1 A 68 68 SER HA H 68 4.379 4.271 0.108 1
1 580 . 14 1 1 A 68 68 SER N N 68 115.241 118.329 -3.088 1
1 581 . 14 1 1 A 69 69 TYR H H 69 9.864 7.839 2.025 1
1 582 . 14 1 1 A 69 69 TYR HA H 69 4.569 4.296 0.273 1
1 589 . 14 1 1 A 69 69 TYR N N 69 124.277 122.363 1.914 1
1 590 . 14 1 1 A 70 70 CYS H H 70 7.841 8.262 -0.421 1
1 591 . 14 1 1 A 70 70 CYS HA H 70 4.920 4.778 0.142 1
1 594 . 14 1 1 A 70 70 CYS N N 70 115.300 114.806 0.494 1
1 595 . 14 1 1 A 71 71 SER H H 71 8.032 8.128 -0.096 1
1 596 . 14 1 1 A 71 71 SER HA H 71 4.673 4.442 0.231 1
1 599 . 14 1 1 A 71 71 SER N N 71 119.327 115.055 4.272 1
1 600 . 14 1 1 A 72 72 GLU H H 72 8.701 8.722 -0.021 1
1 601 . 14 1 1 A 72 72 GLU HA H 72 4.459 4.400 0.059 1
1 606 . 14 1 1 A 72 72 GLU N N 72 122.947 120.995 1.952 1
1 607 . 14 1 1 A 73 73 ASP H H 73 8.053 7.839 0.214 1
1 608 . 14 1 1 A 73 73 ASP HA H 73 4.529 4.592 -0.063 1
1 611 . 14 1 1 A 73 73 ASP N N 73 120.929 121.592 -0.663 1
1 612 . 14 1 1 A 74 74 GLU H H 74 8.754 8.747 0.007 1
1 613 . 14 1 1 A 74 74 GLU HA H 74 4.251 4.286 -0.035 1
1 618 . 14 1 1 A 74 74 GLU N N 74 122.241 125.664 -3.423 1
1 619 . 14 1 1 A 75 75 ASN H H 75 8.564 7.940 0.624 1
1 620 . 14 1 1 A 75 75 ASN HA H 75 4.803 4.620 0.183 1
1 625 . 14 1 1 A 75 75 ASN N N 75 117.681 116.532 1.149 1
1 627 . 14 1 1 A 76 76 CYS H H 76 7.923 7.698 0.225 1
1 628 . 14 1 1 A 76 76 CYS HA H 76 4.377 4.539 -0.162 1
1 631 . 14 1 1 A 76 76 CYS N N 76 120.055 118.036 2.019 1
1 632 . 14 1 1 A 77 77 ASN H H 77 8.717 8.992 -0.275 1
1 633 . 14 1 1 A 77 77 ASN HA H 77 4.759 5.617 -0.858 1
1 638 . 14 1 1 A 77 77 ASN N N 77 122.469 122.766 -0.297 1
1 640 . 14 1 1 A 78 78 ASN H H 78 8.564 8.571 -0.007 1
1 641 . 14 1 1 A 78 78 ASN HA H 78 4.772 5.145 -0.373 1
1 646 . 14 1 1 A 78 78 ASN N N 78 121.986 117.777 4.209 1
1 648 . 14 1 1 A 79 79 LEU H H 79 8.160 8.673 -0.513 1
1 649 . 14 1 1 A 79 79 LEU HA H 79 4.282 4.143 0.139 1
1 659 . 14 1 1 A 79 79 LEU N N 79 122.221 121.348 0.873 1
1 660 . 14 1 1 A 80 80 LEU H H 80 8.034 7.551 0.483 1
1 661 . 14 1 1 A 80 80 LEU HA H 80 4.391 4.365 0.026 1
1 671 . 14 1 1 A 80 80 LEU N N 80 121.024 118.568 2.456 1
1 672 . 14 1 1 A 81 81 GLU H H 81 8.105 8.856 -0.751 1
1 673 . 14 1 1 A 81 81 GLU HA H 81 4.298 4.682 -0.384 1
1 678 . 14 1 1 A 81 81 GLU N N 81 122.466 123.369 -0.903 1
1 679 . 14 1 1 A 82 82 GLY H H 82 8.274 8.686 -0.412 1
1 680 . 14 1 1 A 82 82 GLY HA2 H 82 3.852 3.387 0.465 1
1 681 . 14 1 1 A 82 82 GLY HA3 H 82 3.988 3.552 0.436 1
1 682 . 14 1 1 A 82 82 GLY N N 82 112.347 114.253 -1.906 1
1 683 . 14 1 1 A 83 83 TYR H H 83 7.850 8.014 -0.164 1
1 684 . 14 1 1 A 83 83 TYR HA H 83 5.113 5.333 -0.220 1
1 691 . 14 1 1 A 83 83 TYR N N 83 118.873 119.014 -0.141 1
1 692 . 14 1 1 A 84 84 HIS H H 84 9.473 8.899 0.574 1
1 693 . 14 1 1 A 84 84 HIS HA H 84 5.117 4.897 0.220 1
1 698 . 14 1 1 A 84 84 HIS N N 84 120.297 118.518 1.779 1
1 699 . 14 1 1 A 85 85 PRO HA H 85 4.678 4.070 0.608 1
1 706 . 14 1 1 A 86 86 LYS H H 86 9.027 8.993 0.034 1
1 707 . 14 1 1 A 86 86 LYS HA H 86 4.709 4.588 0.121 1
1 716 . 14 1 1 A 86 86 LYS N N 86 119.573 123.927 -4.354 1
1 717 . 14 1 1 A 87 87 LEU H H 87 7.785 7.964 -0.179 1
1 718 . 14 1 1 A 87 87 LEU HA H 87 4.414 4.336 0.078 1
1 727 . 14 1 1 A 87 87 LEU N N 87 123.673 126.518 -2.845 1
1 728 . 14 1 1 A 88 88 VAL H H 88 8.443 9.075 -0.632 1
1 729 . 14 1 1 A 88 88 VAL HA H 88 4.616 4.979 -0.363 1
1 737 . 14 1 1 A 88 88 VAL N N 88 115.720 118.667 -2.947 1
1 738 . 14 1 1 A 89 89 VAL H H 89 8.621 9.050 -0.429 1
1 739 . 14 1 1 A 89 89 VAL HA H 89 4.471 4.687 -0.216 1
1 747 . 14 1 1 A 89 89 VAL N N 89 122.477 123.874 -1.397 1
1 748 . 14 1 1 A 90 90 ASN H H 90 8.721 9.368 -0.647 1
1 749 . 14 1 1 A 90 90 ASN HA H 90 5.020 5.117 -0.097 1
1 754 . 14 1 1 A 90 90 ASN N N 90 127.524 127.811 -0.287 1
1 756 . 14 1 1 A 91 91 GLY H H 91 9.006 8.897 0.109 1
1 757 . 14 1 1 A 91 91 GLY HA2 H 91 3.639 3.869 -0.230 1
1 758 . 14 1 1 A 91 91 GLY HA3 H 91 3.993 3.870 0.123 1
1 759 . 14 1 1 A 91 91 GLY N N 91 115.517 115.710 -0.193 1
1 760 . 14 1 1 A 92 92 ARG H H 92 8.675 8.250 0.425 1
1 761 . 14 1 1 A 92 92 ARG HA H 92 4.530 4.384 0.146 1
1 768 . 14 1 1 A 92 92 ARG N N 92 125.836 126.524 -0.688 1
1 769 . 14 1 1 A 93 93 SER H H 93 7.875 7.676 0.199 1
1 770 . 14 1 1 A 93 93 SER HA H 93 4.707 4.905 -0.198 1
1 773 . 14 1 1 A 93 93 SER N N 93 114.996 114.708 0.288 1
1 774 . 14 1 1 A 94 94 ILE H H 94 7.943 8.598 -0.655 1
1 775 . 14 1 1 A 94 94 ILE HA H 94 4.694 5.106 -0.412 1
1 785 . 14 1 1 A 94 94 ILE N N 94 123.668 124.627 -0.959 1
1 786 . 14 1 1 A 95 95 ASP H H 95 8.975 9.082 -0.107 1
1 787 . 14 1 1 A 95 95 ASP HA H 95 4.995 5.283 -0.288 1
1 790 . 14 1 1 A 95 95 ASP N N 95 128.002 125.029 2.973 1
1 791 . 14 1 1 A 96 96 ILE H H 96 8.672 8.628 0.044 1
1 792 . 14 1 1 A 96 96 ILE HA H 96 4.669 4.691 -0.022 1
1 802 . 14 1 1 A 96 96 ILE N N 96 118.150 121.614 -3.464 1
1 803 . 14 1 1 A 97 97 GLU H H 97 8.990 8.855 0.135 1
1 804 . 14 1 1 A 97 97 GLU HA H 97 4.604 4.885 -0.281 1
1 809 . 14 1 1 A 97 97 GLU N N 97 128.072 127.041 1.031 1
1 810 . 14 1 1 A 98 98 TYR H H 98 8.544 8.614 -0.070 1
1 811 . 14 1 1 A 98 98 TYR HA H 98 5.662 5.583 0.079 1
1 818 . 14 1 1 A 98 98 TYR N N 98 118.130 117.597 0.533 1
1 819 . 14 1 1 A 99 99 TYR H H 99 9.389 8.750 0.639 1
1 820 . 14 1 1 A 99 99 TYR HA H 99 5.258 5.837 -0.579 1
1 827 . 14 1 1 A 99 99 TYR N N 99 121.021 119.358 1.663 1
1 828 . 14 1 1 A 100 100 GLU H H 100 8.942 8.660 0.282 1
1 829 . 14 1 1 A 100 100 GLU HA H 100 3.495 4.189 -0.694 1
1 834 . 14 1 1 A 100 100 GLU N N 100 122.954 120.429 2.525 1
1 835 . 14 1 1 A 101 101 CYS H H 101 7.742 8.813 -1.071 1
1 836 . 14 1 1 A 101 101 CYS HA H 101 3.342 4.205 -0.863 1
1 839 . 14 1 1 A 101 101 CYS N N 101 125.649 124.165 1.484 1
1 840 . 14 1 1 A 102 102 PRO HA H 102 4.415 4.479 -0.064 1
1 847 . 14 1 1 A 103 103 VAL H H 103 8.493 7.830 0.663 1
1 848 . 14 1 1 A 103 103 VAL HA H 103 3.990 4.023 -0.033 1
1 856 . 14 1 1 A 103 103 VAL N N 103 121.026 118.302 2.724 1
1 857 . 14 1 1 A 104 104 LYS H H 104 7.585 7.858 -0.273 1
1 858 . 14 1 1 A 104 104 LYS HA H 104 3.972 4.153 -0.181 1
1 867 . 14 1 1 A 104 104 LYS N N 104 122.941 121.533 1.408 1
1 868 . 14 1 1 A 105 105 ARG H H 105 7.848 7.704 0.144 1
1 869 . 14 1 1 A 105 105 ARG HA H 105 4.276 4.617 -0.341 1
1 876 . 14 1 1 A 105 105 ARG N N 105 121.986 115.987 5.999 1
1 6 . 15 1 1 A 2 2 GLU HA H 2 4.671 4.767 -0.096 1
1 11 . 15 1 1 A 3 3 PRO HA H 3 4.473 4.678 -0.205 1
1 18 . 15 1 1 A 4 4 ILE H H 4 8.270 8.842 -0.572 1
1 19 . 15 1 1 A 4 4 ILE HA H 4 4.156 4.177 -0.021 1
1 29 . 15 1 1 A 4 4 ILE N N 4 121.501 122.293 -0.792 1
1 30 . 15 1 1 A 5 5 GLY H H 5 8.516 8.305 0.211 1
1 31 . 15 1 1 A 5 5 GLY HA2 H 5 3.952 3.934 0.018 1
1 32 . 15 1 1 A 5 5 GLY HA3 H 5 3.992 3.934 0.058 1
1 33 . 15 1 1 A 5 5 GLY N N 5 112.831 110.391 2.440 1
1 34 . 15 1 1 A 6 6 ARG H H 6 8.197 7.341 0.856 1
1 35 . 15 1 1 A 6 6 ARG HA H 6 4.383 4.517 -0.134 1
1 42 . 15 1 1 A 6 6 ARG N N 6 121.014 120.407 0.607 1
1 43 . 15 1 1 A 7 7 SER H H 7 8.400 8.845 -0.445 1
1 44 . 15 1 1 A 7 7 SER HA H 7 4.472 4.495 -0.023 1
1 47 . 15 1 1 A 7 7 SER N N 7 116.921 122.331 -5.410 1
1 48 . 15 1 1 A 8 8 LEU H H 8 8.376 8.191 0.185 1
1 49 . 15 1 1 A 8 8 LEU HA H 8 4.390 4.161 0.229 1
1 59 . 15 1 1 A 8 8 LEU N N 8 124.394 127.029 -2.635 1
1 60 . 15 1 1 A 9 9 GLN H H 9 8.292 7.835 0.457 1
1 61 . 15 1 1 A 9 9 GLN HA H 9 4.323 4.267 0.056 1
1 68 . 15 1 1 A 9 9 GLN N N 9 120.593 118.326 2.267 1
1 70 . 15 1 1 A 10 10 GLY H H 10 8.417 8.125 0.292 1
1 71 . 15 1 1 A 10 10 GLY HA2 H 10 3.992 3.969 0.023 1
1 72 . 15 1 1 A 10 10 GLY HA3 H 10 3.992 3.969 0.023 1
1 73 . 15 1 1 A 10 10 GLY N N 10 110.179 107.512 2.667 1
1 74 . 15 1 1 A 11 11 VAL H H 11 8.040 7.765 0.275 1
1 75 . 15 1 1 A 11 11 VAL HA H 11 4.208 4.229 -0.021 1
1 83 . 15 1 1 A 11 11 VAL N N 11 119.334 120.675 -1.341 1
1 84 . 15 1 1 A 12 12 THR H H 12 8.210 8.330 -0.120 1
1 85 . 15 1 1 A 12 12 THR HA H 12 4.285 4.174 0.111 1
1 90 . 15 1 1 A 12 12 THR N N 12 117.160 120.084 -2.924 1
1 91 . 15 1 1 A 13 13 GLY H H 13 8.388 7.615 0.773 1
1 92 . 15 1 1 A 13 13 GLY HA2 H 13 3.988 4.158 -0.170 1
1 93 . 15 1 1 A 13 13 GLY HA3 H 13 4.027 4.159 -0.132 1
1 94 . 15 1 1 A 13 13 GLY N N 13 111.151 108.420 2.731 1
1 95 . 15 1 1 A 14 14 ARG H H 14 8.169 8.669 -0.500 1
1 96 . 15 1 1 A 14 14 ARG HA H 14 4.668 4.735 -0.067 1
1 103 . 15 1 1 A 14 14 ARG N N 14 121.499 123.063 -1.564 1
1 104 . 15 1 1 A 15 15 PRO HA H 15 4.426 4.529 -0.103 1
1 111 . 15 1 1 A 16 16 ASP H H 16 8.475 8.822 -0.347 1
1 112 . 15 1 1 A 16 16 ASP HA H 16 4.556 4.312 0.244 1
1 115 . 15 1 1 A 16 16 ASP N N 16 119.586 124.164 -4.578 1
1 116 . 15 1 1 A 17 17 PHE H H 17 8.179 8.404 -0.225 1
1 117 . 15 1 1 A 17 17 PHE HA H 17 4.366 4.051 0.315 1
1 125 . 15 1 1 A 17 17 PHE N N 17 121.747 121.898 -0.151 1
1 126 . 15 1 1 A 18 18 GLN H H 18 8.200 8.412 -0.212 1
1 127 . 15 1 1 A 18 18 GLN HA H 18 3.998 3.911 0.087 1
1 134 . 15 1 1 A 18 18 GLN N N 18 119.816 117.627 2.189 1
1 136 . 15 1 1 A 19 19 LYS H H 19 7.986 7.608 0.378 1
1 137 . 15 1 1 A 19 19 LYS HA H 19 4.126 4.098 0.028 1
1 146 . 15 1 1 A 19 19 LYS N N 19 120.081 119.486 0.595 1
1 147 . 15 1 1 A 20 20 ARG H H 20 7.918 8.397 -0.479 1
1 148 . 15 1 1 A 20 20 ARG HA H 20 4.125 4.015 0.110 1
1 155 . 15 1 1 A 20 20 ARG N N 20 118.851 118.644 0.207 1
1 156 . 15 1 1 A 21 21 LEU H H 21 7.954 7.990 -0.036 1
1 157 . 15 1 1 A 21 21 LEU HA H 21 4.127 3.804 0.323 1
1 167 . 15 1 1 A 21 21 LEU N N 21 121.258 122.405 -1.147 1
1 168 . 15 1 1 A 22 22 GLU H H 22 8.169 8.331 -0.162 1
1 169 . 15 1 1 A 22 22 GLU HA H 22 3.981 3.923 0.058 1
1 174 . 15 1 1 A 22 22 GLU N N 22 119.093 118.297 0.796 1
1 175 . 15 1 1 A 23 23 GLN H H 23 8.015 7.819 0.196 1
1 176 . 15 1 1 A 23 23 GLN HA H 23 4.174 4.086 0.088 1
1 183 . 15 1 1 A 23 23 GLN N N 23 119.335 120.336 -1.001 1
1 185 . 15 1 1 A 24 24 MET H H 24 8.209 8.591 -0.382 1
1 186 . 15 1 1 A 24 24 MET HA H 24 4.005 4.069 -0.064 1
1 194 . 15 1 1 A 24 24 MET N N 24 119.750 118.487 1.263 1
1 195 . 15 1 1 A 25 25 LYS H H 25 8.387 7.824 0.563 1
1 196 . 15 1 1 A 25 25 LYS HA H 25 3.797 3.985 -0.188 1
1 205 . 15 1 1 A 25 25 LYS N N 25 119.097 120.559 -1.462 1
1 206 . 15 1 1 A 26 26 GLU H H 26 7.936 8.114 -0.178 1
1 207 . 15 1 1 A 26 26 GLU HA H 26 3.989 4.012 -0.023 1
1 212 . 15 1 1 A 26 26 GLU N N 26 117.895 118.573 -0.678 1
1 213 . 15 1 1 A 27 27 LYS H H 27 7.608 7.850 -0.242 1
1 214 . 15 1 1 A 27 27 LYS HA H 27 4.027 4.109 -0.082 1
1 223 . 15 1 1 A 27 27 LYS N N 27 117.438 119.066 -1.628 1
1 224 . 15 1 1 A 28 28 VAL H H 28 8.285 7.974 0.311 1
1 225 . 15 1 1 A 28 28 VAL HA H 28 3.813 3.639 0.174 1
1 233 . 15 1 1 A 28 28 VAL N N 28 118.134 119.587 -1.453 1
1 234 . 15 1 1 A 29 29 MET H H 29 8.030 8.141 -0.111 1
1 235 . 15 1 1 A 29 29 MET HA H 29 4.422 4.354 0.068 1
1 243 . 15 1 1 A 29 29 MET N N 29 112.840 117.758 -4.918 1
1 244 . 15 1 1 A 30 30 LYS H H 30 7.320 7.242 0.078 1
1 245 . 15 1 1 A 30 30 LYS HA H 30 4.304 4.506 -0.202 1
1 254 . 15 1 1 A 30 30 LYS N N 30 116.038 116.556 -0.518 1
1 255 . 15 1 1 A 31 31 ASP H H 31 7.495 7.606 -0.111 1
1 256 . 15 1 1 A 31 31 ASP HA H 31 4.594 4.715 -0.121 1
1 259 . 15 1 1 A 31 31 ASP N N 31 122.944 123.152 -0.208 1
1 260 . 15 1 1 A 32 32 GLN H H 32 9.076 8.735 0.341 1
1 261 . 15 1 1 A 32 32 GLN HA H 32 4.029 3.958 0.071 1
1 268 . 15 1 1 A 32 32 GLN N N 32 126.326 125.439 0.887 1
1 270 . 15 1 1 A 33 33 ASP H H 33 8.456 7.731 0.725 1
1 271 . 15 1 1 A 33 33 ASP HA H 33 4.671 4.573 0.098 1
1 274 . 15 1 1 A 33 33 ASP N N 33 122.586 120.608 1.978 1
1 275 . 15 1 1 A 34 34 VAL H H 34 9.317 8.377 0.940 1
1 276 . 15 1 1 A 34 34 VAL HA H 34 3.521 3.535 -0.014 1
1 284 . 15 1 1 A 34 34 VAL N N 34 124.689 120.617 4.072 1
1 285 . 15 1 1 A 35 35 GLN H H 35 8.633 8.380 0.253 1
1 286 . 15 1 1 A 35 35 GLN HA H 35 3.901 4.074 -0.173 1
1 293 . 15 1 1 A 35 35 GLN N N 35 117.209 119.778 -2.569 1
1 295 . 15 1 1 A 36 36 ALA H H 36 7.935 7.736 0.199 1
1 296 . 15 1 1 A 36 36 ALA HA H 36 4.211 4.142 0.069 1
1 300 . 15 1 1 A 36 36 ALA N N 36 121.503 122.551 -1.048 1
1 301 . 15 1 1 A 37 37 PHE H H 37 7.862 8.120 -0.258 1
1 302 . 15 1 1 A 37 37 PHE HA H 37 4.357 4.332 0.025 1
1 310 . 15 1 1 A 37 37 PHE N N 37 121.040 119.565 1.475 1
1 311 . 15 1 1 A 38 38 LEU H H 38 8.848 8.920 -0.072 1
1 312 . 15 1 1 A 38 38 LEU HA H 38 3.581 3.679 -0.098 1
1 322 . 15 1 1 A 38 38 LEU N N 38 120.561 119.595 0.966 1
1 323 . 15 1 1 A 39 39 LYS H H 39 7.885 8.291 -0.406 1
1 324 . 15 1 1 A 39 39 LYS HA H 39 4.142 4.023 0.119 1
1 333 . 15 1 1 A 39 39 LYS N N 39 118.613 118.944 -0.331 1
1 334 . 15 1 1 A 40 40 GLU H H 40 8.134 7.519 0.615 1
1 335 . 15 1 1 A 40 40 GLU HA H 40 4.054 4.014 0.040 1
1 340 . 15 1 1 A 40 40 GLU N N 40 119.387 119.926 -0.539 1
1 341 . 15 1 1 A 41 41 ASN H H 41 7.089 7.463 -0.374 1
1 342 . 15 1 1 A 41 41 ASN HA H 41 4.933 4.952 -0.019 1
1 347 . 15 1 1 A 41 41 ASN N N 41 114.032 115.755 -1.723 1
1 349 . 15 1 1 A 42 42 GLU H H 42 7.086 8.211 -1.125 1
1 350 . 15 1 1 A 42 42 GLU HA H 42 3.957 4.013 -0.056 1
1 355 . 15 1 1 A 42 42 GLU N N 42 121.023 119.084 1.939 1
1 356 . 15 1 1 A 43 43 GLU H H 43 8.648 7.713 0.935 1
1 357 . 15 1 1 A 43 43 GLU HA H 43 4.207 4.073 0.134 1
1 362 . 15 1 1 A 43 43 GLU N N 43 115.965 120.375 -4.410 1
1 363 . 15 1 1 A 44 44 VAL H H 44 7.526 7.415 0.111 1
1 364 . 15 1 1 A 44 44 VAL HA H 44 4.445 4.114 0.331 1
1 372 . 15 1 1 A 44 44 VAL N N 44 110.987 116.799 -5.812 1
1 373 . 15 1 1 A 45 45 ILE H H 45 7.246 7.711 -0.465 1
1 374 . 15 1 1 A 45 45 ILE HA H 45 4.531 4.085 0.446 1
1 384 . 15 1 1 A 45 45 ILE N N 45 119.815 118.489 1.326 1
1 385 . 15 1 1 A 46 46 ASP H H 46 7.351 8.327 -0.976 1
1 386 . 15 1 1 A 46 46 ASP HA H 46 4.958 4.944 0.014 1
1 389 . 15 1 1 A 46 46 ASP N N 46 124.659 125.399 -0.740 1
1 390 . 15 1 1 A 47 47 GLN H H 47 8.504 8.836 -0.332 1
1 391 . 15 1 1 A 47 47 GLN HA H 47 3.949 3.933 0.016 1
1 398 . 15 1 1 A 47 47 GLN N N 47 117.654 118.703 -1.049 1
1 400 . 15 1 1 A 48 48 LYS H H 48 8.030 7.790 0.240 1
1 401 . 15 1 1 A 48 48 LYS HA H 48 4.132 4.021 0.111 1
1 410 . 15 1 1 A 48 48 LYS N N 48 119.335 119.241 0.094 1
1 411 . 15 1 1 A 49 49 MET H H 49 8.250 8.146 0.104 1
1 412 . 15 1 1 A 49 49 MET HA H 49 4.132 4.207 -0.075 1
1 420 . 15 1 1 A 49 49 MET N N 49 120.061 119.020 1.041 1
1 421 . 15 1 1 A 50 50 ILE H H 50 7.726 7.945 -0.219 1
1 422 . 15 1 1 A 50 50 ILE HA H 50 3.379 3.647 -0.268 1
1 432 . 15 1 1 A 50 50 ILE N N 50 120.912 119.744 1.168 1
1 433 . 15 1 1 A 51 51 GLU H H 51 8.044 8.493 -0.449 1
1 434 . 15 1 1 A 51 51 GLU HA H 51 3.906 3.880 0.026 1
1 439 . 15 1 1 A 51 51 GLU N N 51 117.413 118.980 -1.567 1
1 440 . 15 1 1 A 52 52 LYS H H 52 8.249 8.382 -0.133 1
1 441 . 15 1 1 A 52 52 LYS HA H 52 4.318 4.089 0.229 1
1 450 . 15 1 1 A 52 52 LYS N N 52 117.183 121.281 -4.098 1
1 451 . 15 1 1 A 53 53 SER H H 53 7.664 7.490 0.174 1
1 452 . 15 1 1 A 53 53 SER HA H 53 5.067 4.904 0.163 1
1 455 . 15 1 1 A 53 53 SER N N 53 113.070 113.543 -0.473 1
1 456 . 15 1 1 A 54 54 LEU H H 54 7.375 7.465 -0.090 1
1 457 . 15 1 1 A 54 54 LEU HA H 54 3.980 3.946 0.034 1
1 467 . 15 1 1 A 54 54 LEU N N 54 123.828 123.509 0.319 1
1 468 . 15 1 1 A 55 55 ASN H H 55 8.705 8.621 0.084 1
1 469 . 15 1 1 A 55 55 ASN HA H 55 4.434 4.466 -0.032 1
1 474 . 15 1 1 A 55 55 ASN N N 55 114.672 116.784 -2.112 1
1 476 . 15 1 1 A 56 56 LYS H H 56 7.685 7.892 -0.207 1
1 477 . 15 1 1 A 56 56 LYS HA H 56 4.289 4.127 0.162 1
1 486 . 15 1 1 A 56 56 LYS N N 56 121.417 119.701 1.716 1
1 487 . 15 1 1 A 57 57 LEU H H 57 8.120 8.669 -0.549 1
1 488 . 15 1 1 A 57 57 LEU HA H 57 3.948 3.991 -0.043 1
1 498 . 15 1 1 A 57 57 LEU N N 57 118.616 119.212 -0.596 1
1 499 . 15 1 1 A 58 58 TYR H H 58 8.659 8.884 -0.225 1
1 500 . 15 1 1 A 58 58 TYR HA H 58 4.124 4.065 0.059 1
1 507 . 15 1 1 A 58 58 TYR N N 58 119.812 119.471 0.341 1
1 508 . 15 1 1 A 59 59 GLU H H 59 7.999 8.309 -0.310 1
1 509 . 15 1 1 A 59 59 GLU HA H 59 3.945 4.020 -0.075 1
1 514 . 15 1 1 A 59 59 GLU N N 59 118.851 119.376 -0.525 1
1 515 . 15 1 1 A 60 60 TYR H H 60 8.132 8.211 -0.079 1
1 516 . 15 1 1 A 60 60 TYR HA H 60 4.056 4.110 -0.054 1
1 523 . 15 1 1 A 60 60 TYR N N 60 118.616 120.817 -2.201 1
1 524 . 15 1 1 A 61 61 ILE H H 61 7.985 7.629 0.356 1
1 525 . 15 1 1 A 61 61 ILE HA H 61 3.638 3.604 0.034 1
1 535 . 15 1 1 A 61 61 ILE N N 61 115.242 118.356 -3.114 1
1 536 . 15 1 1 A 62 62 GLU H H 62 7.409 7.490 -0.081 1
1 537 . 15 1 1 A 62 62 GLU HA H 62 4.056 4.106 -0.050 1
1 542 . 15 1 1 A 62 62 GLU N N 62 118.370 119.592 -1.222 1
1 543 . 15 1 1 A 63 63 GLN H H 63 7.320 7.028 0.292 1
1 544 . 15 1 1 A 63 63 GLN HA H 63 4.583 4.309 0.274 1
1 551 . 15 1 1 A 63 63 GLN N N 63 118.398 118.567 -0.169 1
1 553 . 15 1 1 A 64 64 SER H H 64 8.134 8.905 -0.771 1
1 554 . 15 1 1 A 64 64 SER HA H 64 4.122 4.262 -0.140 1
1 557 . 15 1 1 A 64 64 SER N N 64 115.490 117.751 -2.261 1
1 558 . 15 1 1 A 65 65 LYS H H 65 8.663 8.771 -0.108 1
1 559 . 15 1 1 A 65 65 LYS HA H 65 4.132 4.082 0.050 1
1 562 . 15 1 1 A 65 65 LYS N N 65 122.473 127.364 -4.891 1
1 563 . 15 1 1 A 66 66 ASN H H 66 8.010 7.696 0.314 1
1 564 . 15 1 1 A 66 66 ASN HA H 66 3.809 4.616 -0.807 1
1 569 . 15 1 1 A 66 66 ASN N N 66 117.420 115.544 1.876 1
1 571 . 15 1 1 A 67 67 CYS H H 67 7.649 8.443 -0.794 1
1 572 . 15 1 1 A 67 67 CYS HA H 67 5.108 4.750 0.358 1
1 575 . 15 1 1 A 67 67 CYS N N 67 116.684 115.920 0.764 1
1 576 . 15 1 1 A 68 68 SER H H 68 8.891 9.554 -0.663 1
1 577 . 15 1 1 A 68 68 SER HA H 68 4.379 4.243 0.136 1
1 580 . 15 1 1 A 68 68 SER N N 68 115.241 119.346 -4.105 1
1 581 . 15 1 1 A 69 69 TYR H H 69 9.864 7.803 2.061 1
1 582 . 15 1 1 A 69 69 TYR HA H 69 4.569 4.126 0.443 1
1 589 . 15 1 1 A 69 69 TYR N N 69 124.277 123.298 0.979 1
1 590 . 15 1 1 A 70 70 CYS H H 70 7.841 7.905 -0.064 1
1 591 . 15 1 1 A 70 70 CYS HA H 70 4.920 4.733 0.187 1
1 594 . 15 1 1 A 70 70 CYS N N 70 115.300 115.452 -0.152 1
1 595 . 15 1 1 A 71 71 SER H H 71 8.032 7.836 0.196 1
1 596 . 15 1 1 A 71 71 SER HA H 71 4.673 4.629 0.044 1
1 599 . 15 1 1 A 71 71 SER N N 71 119.327 113.672 5.655 1
1 600 . 15 1 1 A 72 72 GLU H H 72 8.701 8.504 0.197 1
1 601 . 15 1 1 A 72 72 GLU HA H 72 4.459 4.452 0.007 1
1 606 . 15 1 1 A 72 72 GLU N N 72 122.947 118.524 4.423 1
1 607 . 15 1 1 A 73 73 ASP H H 73 8.053 7.487 0.566 1
1 608 . 15 1 1 A 73 73 ASP HA H 73 4.529 4.493 0.036 1
1 611 . 15 1 1 A 73 73 ASP N N 73 120.929 121.926 -0.997 1
1 612 . 15 1 1 A 74 74 GLU H H 74 8.754 9.084 -0.330 1
1 613 . 15 1 1 A 74 74 GLU HA H 74 4.251 4.111 0.140 1
1 618 . 15 1 1 A 74 74 GLU N N 74 122.241 126.385 -4.144 1
1 619 . 15 1 1 A 75 75 ASN H H 75 8.564 7.803 0.761 1
1 620 . 15 1 1 A 75 75 ASN HA H 75 4.803 4.970 -0.167 1
1 625 . 15 1 1 A 75 75 ASN N N 75 117.681 116.184 1.497 1
1 627 . 15 1 1 A 76 76 CYS H H 76 7.923 8.689 -0.766 1
1 628 . 15 1 1 A 76 76 CYS HA H 76 4.377 4.783 -0.406 1
1 631 . 15 1 1 A 76 76 CYS N N 76 120.055 122.040 -1.985 1
1 632 . 15 1 1 A 77 77 ASN H H 77 8.717 8.114 0.603 1
1 633 . 15 1 1 A 77 77 ASN HA H 77 4.759 4.792 -0.033 1
1 638 . 15 1 1 A 77 77 ASN N N 77 122.469 118.866 3.603 1
1 640 . 15 1 1 A 78 78 ASN H H 78 8.564 7.522 1.042 1
1 641 . 15 1 1 A 78 78 ASN HA H 78 4.772 4.595 0.177 1
1 646 . 15 1 1 A 78 78 ASN N N 78 121.986 118.976 3.010 1
1 648 . 15 1 1 A 79 79 LEU H H 79 8.160 8.404 -0.244 1
1 649 . 15 1 1 A 79 79 LEU HA H 79 4.282 3.887 0.395 1
1 659 . 15 1 1 A 79 79 LEU N N 79 122.221 124.812 -2.591 1
1 660 . 15 1 1 A 80 80 LEU H H 80 8.034 7.732 0.302 1
1 661 . 15 1 1 A 80 80 LEU HA H 80 4.391 4.408 -0.017 1
1 671 . 15 1 1 A 80 80 LEU N N 80 121.024 117.963 3.061 1
1 672 . 15 1 1 A 81 81 GLU H H 81 8.105 7.819 0.286 1
1 673 . 15 1 1 A 81 81 GLU HA H 81 4.298 4.107 0.191 1
1 678 . 15 1 1 A 81 81 GLU N N 81 122.466 122.854 -0.388 1
1 679 . 15 1 1 A 82 82 GLY H H 82 8.274 8.654 -0.380 1
1 680 . 15 1 1 A 82 82 GLY HA2 H 82 3.852 3.438 0.414 1
1 681 . 15 1 1 A 82 82 GLY HA3 H 82 3.988 3.642 0.346 1
1 682 . 15 1 1 A 82 82 GLY N N 82 112.347 112.955 -0.608 1
1 683 . 15 1 1 A 83 83 TYR H H 83 7.850 7.418 0.432 1
1 684 . 15 1 1 A 83 83 TYR HA H 83 5.113 5.012 0.101 1
1 691 . 15 1 1 A 83 83 TYR N N 83 118.873 119.329 -0.456 1
1 692 . 15 1 1 A 84 84 HIS H H 84 9.473 8.961 0.512 1
1 693 . 15 1 1 A 84 84 HIS HA H 84 5.117 4.972 0.145 1
1 698 . 15 1 1 A 84 84 HIS N N 84 120.297 117.977 2.320 1
1 699 . 15 1 1 A 85 85 PRO HA H 85 4.678 3.931 0.747 1
1 706 . 15 1 1 A 86 86 LYS H H 86 9.027 8.906 0.121 1
1 707 . 15 1 1 A 86 86 LYS HA H 86 4.709 4.728 -0.019 1
1 716 . 15 1 1 A 86 86 LYS N N 86 119.573 123.139 -3.566 1
1 717 . 15 1 1 A 87 87 LEU H H 87 7.785 8.077 -0.292 1
1 718 . 15 1 1 A 87 87 LEU HA H 87 4.414 4.000 0.414 1
1 727 . 15 1 1 A 87 87 LEU N N 87 123.673 126.353 -2.680 1
1 728 . 15 1 1 A 88 88 VAL H H 88 8.443 8.936 -0.493 1
1 729 . 15 1 1 A 88 88 VAL HA H 88 4.616 4.950 -0.334 1
1 737 . 15 1 1 A 88 88 VAL N N 88 115.720 118.790 -3.070 1
1 738 . 15 1 1 A 89 89 VAL H H 89 8.621 9.203 -0.582 1
1 739 . 15 1 1 A 89 89 VAL HA H 89 4.471 4.921 -0.450 1
1 747 . 15 1 1 A 89 89 VAL N N 89 122.477 124.069 -1.592 1
1 748 . 15 1 1 A 90 90 ASN H H 90 8.721 9.178 -0.457 1
1 749 . 15 1 1 A 90 90 ASN HA H 90 5.020 5.077 -0.057 1
1 754 . 15 1 1 A 90 90 ASN N N 90 127.524 127.529 -0.005 1
1 756 . 15 1 1 A 91 91 GLY H H 91 9.006 8.935 0.071 1
1 757 . 15 1 1 A 91 91 GLY HA2 H 91 3.639 3.844 -0.205 1
1 758 . 15 1 1 A 91 91 GLY HA3 H 91 3.993 3.845 0.148 1
1 759 . 15 1 1 A 91 91 GLY N N 91 115.517 115.746 -0.229 1
1 760 . 15 1 1 A 92 92 ARG H H 92 8.675 8.577 0.098 1
1 761 . 15 1 1 A 92 92 ARG HA H 92 4.530 4.373 0.157 1
1 768 . 15 1 1 A 92 92 ARG N N 92 125.836 125.317 0.519 1
1 769 . 15 1 1 A 93 93 SER H H 93 7.875 7.681 0.194 1
1 770 . 15 1 1 A 93 93 SER HA H 93 4.707 5.121 -0.414 1
1 773 . 15 1 1 A 93 93 SER N N 93 114.996 111.717 3.279 1
1 774 . 15 1 1 A 94 94 ILE H H 94 7.943 9.145 -1.202 1
1 775 . 15 1 1 A 94 94 ILE HA H 94 4.694 4.915 -0.221 1
1 785 . 15 1 1 A 94 94 ILE N N 94 123.668 120.713 2.955 1
1 786 . 15 1 1 A 95 95 ASP H H 95 8.975 9.402 -0.427 1
1 787 . 15 1 1 A 95 95 ASP HA H 95 4.995 5.351 -0.356 1
1 790 . 15 1 1 A 95 95 ASP N N 95 128.002 126.460 1.542 1
1 791 . 15 1 1 A 96 96 ILE H H 96 8.672 8.587 0.085 1
1 792 . 15 1 1 A 96 96 ILE HA H 96 4.669 4.699 -0.030 1
1 802 . 15 1 1 A 96 96 ILE N N 96 118.150 120.500 -2.350 1
1 803 . 15 1 1 A 97 97 GLU H H 97 8.990 9.096 -0.106 1
1 804 . 15 1 1 A 97 97 GLU HA H 97 4.604 4.968 -0.364 1
1 809 . 15 1 1 A 97 97 GLU N N 97 128.072 126.909 1.163 1
1 810 . 15 1 1 A 98 98 TYR H H 98 8.544 9.385 -0.841 1
1 811 . 15 1 1 A 98 98 TYR HA H 98 5.662 6.112 -0.450 1
1 818 . 15 1 1 A 98 98 TYR N N 98 118.130 118.500 -0.370 1
1 819 . 15 1 1 A 99 99 TYR H H 99 9.389 8.677 0.712 1
1 820 . 15 1 1 A 99 99 TYR HA H 99 5.258 5.665 -0.407 1
1 827 . 15 1 1 A 99 99 TYR N N 99 121.021 121.121 -0.100 1
1 828 . 15 1 1 A 100 100 GLU H H 100 8.942 8.611 0.331 1
1 829 . 15 1 1 A 100 100 GLU HA H 100 3.495 4.389 -0.894 1
1 834 . 15 1 1 A 100 100 GLU N N 100 122.954 120.169 2.785 1
1 835 . 15 1 1 A 101 101 CYS H H 101 7.742 8.841 -1.099 1
1 836 . 15 1 1 A 101 101 CYS HA H 101 3.342 4.167 -0.825 1
1 839 . 15 1 1 A 101 101 CYS N N 101 125.649 122.365 3.284 1
1 840 . 15 1 1 A 102 102 PRO HA H 102 4.415 4.464 -0.049 1
1 847 . 15 1 1 A 103 103 VAL H H 103 8.493 7.749 0.744 1
1 848 . 15 1 1 A 103 103 VAL HA H 103 3.990 3.943 0.047 1
1 856 . 15 1 1 A 103 103 VAL N N 103 121.026 117.077 3.949 1
1 857 . 15 1 1 A 104 104 LYS H H 104 7.585 8.028 -0.443 1
1 858 . 15 1 1 A 104 104 LYS HA H 104 3.972 4.178 -0.206 1
1 867 . 15 1 1 A 104 104 LYS N N 104 122.941 120.844 2.097 1
1 868 . 15 1 1 A 105 105 ARG H H 105 7.848 7.727 0.121 1
1 869 . 15 1 1 A 105 105 ARG HA H 105 4.276 4.527 -0.251 1
1 876 . 15 1 1 A 105 105 ARG N N 105 121.986 119.161 2.825 1
1 6 . 16 1 1 A 2 2 GLU HA H 2 4.671 4.927 -0.256 1
1 11 . 16 1 1 A 3 3 PRO HA H 3 4.473 4.429 0.044 1
1 18 . 16 1 1 A 4 4 ILE H H 4 8.270 8.731 -0.461 1
1 19 . 16 1 1 A 4 4 ILE HA H 4 4.156 4.156 0.000 1
1 29 . 16 1 1 A 4 4 ILE N N 4 121.501 120.175 1.326 1
1 30 . 16 1 1 A 5 5 GLY H H 5 8.516 7.672 0.844 1
1 31 . 16 1 1 A 5 5 GLY HA2 H 5 3.952 4.040 -0.088 1
1 32 . 16 1 1 A 5 5 GLY HA3 H 5 3.992 4.040 -0.048 1
1 33 . 16 1 1 A 5 5 GLY N N 5 112.831 108.145 4.686 1
1 34 . 16 1 1 A 6 6 ARG H H 6 8.197 8.264 -0.067 1
1 35 . 16 1 1 A 6 6 ARG HA H 6 4.383 5.039 -0.656 1
1 42 . 16 1 1 A 6 6 ARG N N 6 121.014 120.159 0.855 1
1 43 . 16 1 1 A 7 7 SER H H 7 8.400 8.794 -0.394 1
1 44 . 16 1 1 A 7 7 SER HA H 7 4.472 4.729 -0.257 1
1 47 . 16 1 1 A 7 7 SER N N 7 116.921 117.388 -0.467 1
1 48 . 16 1 1 A 8 8 LEU H H 8 8.376 7.925 0.451 1
1 49 . 16 1 1 A 8 8 LEU HA H 8 4.390 4.460 -0.070 1
1 59 . 16 1 1 A 8 8 LEU N N 8 124.394 116.729 7.665 1
1 60 . 16 1 1 A 9 9 GLN H H 9 8.292 7.767 0.525 1
1 61 . 16 1 1 A 9 9 GLN HA H 9 4.323 4.679 -0.356 1
1 68 . 16 1 1 A 9 9 GLN N N 9 120.593 119.516 1.077 1
1 70 . 16 1 1 A 10 10 GLY H H 10 8.417 8.812 -0.395 1
1 71 . 16 1 1 A 10 10 GLY HA2 H 10 3.992 3.971 0.021 1
1 72 . 16 1 1 A 10 10 GLY HA3 H 10 3.992 3.971 0.021 1
1 73 . 16 1 1 A 10 10 GLY N N 10 110.179 112.428 -2.249 1
1 74 . 16 1 1 A 11 11 VAL H H 11 8.040 7.795 0.245 1
1 75 . 16 1 1 A 11 11 VAL HA H 11 4.208 4.108 0.100 1
1 83 . 16 1 1 A 11 11 VAL N N 11 119.334 120.598 -1.264 1
1 84 . 16 1 1 A 12 12 THR H H 12 8.210 8.186 0.024 1
1 85 . 16 1 1 A 12 12 THR HA H 12 4.285 4.472 -0.187 1
1 90 . 16 1 1 A 12 12 THR N N 12 117.160 117.947 -0.787 1
1 91 . 16 1 1 A 13 13 GLY H H 13 8.388 8.125 0.263 1
1 92 . 16 1 1 A 13 13 GLY HA2 H 13 3.988 3.912 0.076 1
1 93 . 16 1 1 A 13 13 GLY HA3 H 13 4.027 3.912 0.115 1
1 94 . 16 1 1 A 13 13 GLY N N 13 111.151 110.842 0.309 1
1 95 . 16 1 1 A 14 14 ARG H H 14 8.169 8.023 0.146 1
1 96 . 16 1 1 A 14 14 ARG HA H 14 4.668 4.939 -0.271 1
1 103 . 16 1 1 A 14 14 ARG N N 14 121.499 122.729 -1.230 1
1 104 . 16 1 1 A 15 15 PRO HA H 15 4.426 4.590 -0.164 1
1 111 . 16 1 1 A 16 16 ASP H H 16 8.475 8.752 -0.277 1
1 112 . 16 1 1 A 16 16 ASP HA H 16 4.556 4.304 0.252 1
1 115 . 16 1 1 A 16 16 ASP N N 16 119.586 122.787 -3.201 1
1 116 . 16 1 1 A 17 17 PHE H H 17 8.179 8.277 -0.098 1
1 117 . 16 1 1 A 17 17 PHE HA H 17 4.366 4.080 0.286 1
1 125 . 16 1 1 A 17 17 PHE N N 17 121.747 121.481 0.266 1
1 126 . 16 1 1 A 18 18 GLN H H 18 8.200 8.512 -0.312 1
1 127 . 16 1 1 A 18 18 GLN HA H 18 3.998 3.961 0.037 1
1 134 . 16 1 1 A 18 18 GLN N N 18 119.816 117.629 2.187 1
1 136 . 16 1 1 A 19 19 LYS H H 19 7.986 7.706 0.280 1
1 137 . 16 1 1 A 19 19 LYS HA H 19 4.126 4.086 0.040 1
1 146 . 16 1 1 A 19 19 LYS N N 19 120.081 119.562 0.519 1
1 147 . 16 1 1 A 20 20 ARG H H 20 7.918 8.296 -0.378 1
1 148 . 16 1 1 A 20 20 ARG HA H 20 4.125 3.967 0.158 1
1 155 . 16 1 1 A 20 20 ARG N N 20 118.851 118.054 0.797 1
1 156 . 16 1 1 A 21 21 LEU H H 21 7.954 7.813 0.141 1
1 157 . 16 1 1 A 21 21 LEU HA H 21 4.127 3.835 0.292 1
1 167 . 16 1 1 A 21 21 LEU N N 21 121.258 122.303 -1.045 1
1 168 . 16 1 1 A 22 22 GLU H H 22 8.169 8.334 -0.165 1
1 169 . 16 1 1 A 22 22 GLU HA H 22 3.981 3.926 0.055 1
1 174 . 16 1 1 A 22 22 GLU N N 22 119.093 118.329 0.764 1
1 175 . 16 1 1 A 23 23 GLN H H 23 8.015 8.187 -0.172 1
1 176 . 16 1 1 A 23 23 GLN HA H 23 4.174 4.051 0.123 1
1 183 . 16 1 1 A 23 23 GLN N N 23 119.335 120.282 -0.947 1
1 185 . 16 1 1 A 24 24 MET H H 24 8.209 8.590 -0.381 1
1 186 . 16 1 1 A 24 24 MET HA H 24 4.005 4.016 -0.011 1
1 194 . 16 1 1 A 24 24 MET N N 24 119.750 118.386 1.364 1
1 195 . 16 1 1 A 25 25 LYS H H 25 8.387 7.914 0.473 1
1 196 . 16 1 1 A 25 25 LYS HA H 25 3.797 3.952 -0.155 1
1 205 . 16 1 1 A 25 25 LYS N N 25 119.097 120.552 -1.455 1
1 206 . 16 1 1 A 26 26 GLU H H 26 7.936 8.268 -0.332 1
1 207 . 16 1 1 A 26 26 GLU HA H 26 3.989 3.986 0.003 1
1 212 . 16 1 1 A 26 26 GLU N N 26 117.895 118.620 -0.725 1
1 213 . 16 1 1 A 27 27 LYS H H 27 7.608 7.871 -0.263 1
1 214 . 16 1 1 A 27 27 LYS HA H 27 4.027 4.051 -0.024 1
1 223 . 16 1 1 A 27 27 LYS N N 27 117.438 118.929 -1.491 1
1 224 . 16 1 1 A 28 28 VAL H H 28 8.285 8.477 -0.192 1
1 225 . 16 1 1 A 28 28 VAL HA H 28 3.813 3.684 0.129 1
1 233 . 16 1 1 A 28 28 VAL N N 28 118.134 119.974 -1.840 1
1 234 . 16 1 1 A 29 29 MET H H 29 8.030 8.247 -0.217 1
1 235 . 16 1 1 A 29 29 MET HA H 29 4.422 4.402 0.020 1
1 243 . 16 1 1 A 29 29 MET N N 29 112.840 117.914 -5.074 1
1 244 . 16 1 1 A 30 30 LYS H H 30 7.320 7.679 -0.359 1
1 245 . 16 1 1 A 30 30 LYS HA H 30 4.304 4.604 -0.300 1
1 254 . 16 1 1 A 30 30 LYS N N 30 116.038 117.384 -1.346 1
1 255 . 16 1 1 A 31 31 ASP H H 31 7.495 7.451 0.044 1
1 256 . 16 1 1 A 31 31 ASP HA H 31 4.594 4.685 -0.091 1
1 259 . 16 1 1 A 31 31 ASP N N 31 122.944 122.855 0.089 1
1 260 . 16 1 1 A 32 32 GLN H H 32 9.076 8.658 0.418 1
1 261 . 16 1 1 A 32 32 GLN HA H 32 4.029 3.903 0.126 1
1 268 . 16 1 1 A 32 32 GLN N N 32 126.326 124.302 2.024 1
1 270 . 16 1 1 A 33 33 ASP H H 33 8.456 8.151 0.305 1
1 271 . 16 1 1 A 33 33 ASP HA H 33 4.671 4.477 0.194 1
1 274 . 16 1 1 A 33 33 ASP N N 33 122.586 120.372 2.214 1
1 275 . 16 1 1 A 34 34 VAL H H 34 9.317 8.329 0.988 1
1 276 . 16 1 1 A 34 34 VAL HA H 34 3.521 3.577 -0.056 1
1 284 . 16 1 1 A 34 34 VAL N N 34 124.689 120.059 4.630 1
1 285 . 16 1 1 A 35 35 GLN H H 35 8.633 7.958 0.675 1
1 286 . 16 1 1 A 35 35 GLN HA H 35 3.901 4.024 -0.123 1
1 293 . 16 1 1 A 35 35 GLN N N 35 117.209 118.522 -1.313 1
1 295 . 16 1 1 A 36 36 ALA H H 36 7.935 7.574 0.361 1
1 296 . 16 1 1 A 36 36 ALA HA H 36 4.211 4.149 0.062 1
1 300 . 16 1 1 A 36 36 ALA N N 36 121.503 122.573 -1.070 1
1 301 . 16 1 1 A 37 37 PHE H H 37 7.862 8.057 -0.195 1
1 302 . 16 1 1 A 37 37 PHE HA H 37 4.357 4.289 0.068 1
1 310 . 16 1 1 A 37 37 PHE N N 37 121.040 119.659 1.381 1
1 311 . 16 1 1 A 38 38 LEU H H 38 8.848 8.533 0.315 1
1 312 . 16 1 1 A 38 38 LEU HA H 38 3.581 3.594 -0.013 1
1 322 . 16 1 1 A 38 38 LEU N N 38 120.561 119.408 1.153 1
1 323 . 16 1 1 A 39 39 LYS H H 39 7.885 7.884 0.001 1
1 324 . 16 1 1 A 39 39 LYS HA H 39 4.142 4.062 0.080 1
1 333 . 16 1 1 A 39 39 LYS N N 39 118.613 119.130 -0.517 1
1 334 . 16 1 1 A 40 40 GLU H H 40 8.134 7.948 0.186 1
1 335 . 16 1 1 A 40 40 GLU HA H 40 4.054 4.065 -0.011 1
1 340 . 16 1 1 A 40 40 GLU N N 40 119.387 119.797 -0.410 1
1 341 . 16 1 1 A 41 41 ASN H H 41 7.089 7.434 -0.345 1
1 342 . 16 1 1 A 41 41 ASN HA H 41 4.933 5.023 -0.090 1
1 347 . 16 1 1 A 41 41 ASN N N 41 114.032 115.827 -1.795 1
1 349 . 16 1 1 A 42 42 GLU H H 42 7.086 8.181 -1.095 1
1 350 . 16 1 1 A 42 42 GLU HA H 42 3.957 4.131 -0.174 1
1 355 . 16 1 1 A 42 42 GLU N N 42 121.023 119.122 1.901 1
1 356 . 16 1 1 A 43 43 GLU H H 43 8.648 7.824 0.824 1
1 357 . 16 1 1 A 43 43 GLU HA H 43 4.207 4.105 0.102 1
1 362 . 16 1 1 A 43 43 GLU N N 43 115.965 119.906 -3.941 1
1 363 . 16 1 1 A 44 44 VAL H H 44 7.526 7.452 0.074 1
1 364 . 16 1 1 A 44 44 VAL HA H 44 4.445 4.119 0.326 1
1 372 . 16 1 1 A 44 44 VAL N N 44 110.987 117.199 -6.212 1
1 373 . 16 1 1 A 45 45 ILE H H 45 7.246 7.683 -0.437 1
1 374 . 16 1 1 A 45 45 ILE HA H 45 4.531 4.099 0.432 1
1 384 . 16 1 1 A 45 45 ILE N N 45 119.815 118.943 0.872 1
1 385 . 16 1 1 A 46 46 ASP H H 46 7.351 8.374 -1.023 1
1 386 . 16 1 1 A 46 46 ASP HA H 46 4.958 4.926 0.032 1
1 389 . 16 1 1 A 46 46 ASP N N 46 124.659 124.985 -0.326 1
1 390 . 16 1 1 A 47 47 GLN H H 47 8.504 8.930 -0.426 1
1 391 . 16 1 1 A 47 47 GLN HA H 47 3.949 3.882 0.067 1
1 398 . 16 1 1 A 47 47 GLN N N 47 117.654 119.913 -2.259 1
1 400 . 16 1 1 A 48 48 LYS H H 48 8.030 7.661 0.369 1
1 401 . 16 1 1 A 48 48 LYS HA H 48 4.132 4.125 0.007 1
1 410 . 16 1 1 A 48 48 LYS N N 48 119.335 119.151 0.184 1
1 411 . 16 1 1 A 49 49 MET H H 49 8.250 8.554 -0.304 1
1 412 . 16 1 1 A 49 49 MET HA H 49 4.132 4.140 -0.008 1
1 420 . 16 1 1 A 49 49 MET N N 49 120.061 119.083 0.978 1
1 421 . 16 1 1 A 50 50 ILE H H 50 7.726 7.924 -0.198 1
1 422 . 16 1 1 A 50 50 ILE HA H 50 3.379 3.617 -0.238 1
1 432 . 16 1 1 A 50 50 ILE N N 50 120.912 120.200 0.712 1
1 433 . 16 1 1 A 51 51 GLU H H 51 8.044 7.855 0.189 1
1 434 . 16 1 1 A 51 51 GLU HA H 51 3.906 3.969 -0.063 1
1 439 . 16 1 1 A 51 51 GLU N N 51 117.413 118.944 -1.531 1
1 440 . 16 1 1 A 52 52 LYS H H 52 8.249 8.417 -0.168 1
1 441 . 16 1 1 A 52 52 LYS HA H 52 4.318 4.178 0.140 1
1 450 . 16 1 1 A 52 52 LYS N N 52 117.183 120.120 -2.937 1
1 451 . 16 1 1 A 53 53 SER H H 53 7.664 7.406 0.258 1
1 452 . 16 1 1 A 53 53 SER HA H 53 5.067 4.913 0.154 1
1 455 . 16 1 1 A 53 53 SER N N 53 113.070 112.520 0.550 1
1 456 . 16 1 1 A 54 54 LEU H H 54 7.375 7.422 -0.047 1
1 457 . 16 1 1 A 54 54 LEU HA H 54 3.980 4.053 -0.073 1
1 467 . 16 1 1 A 54 54 LEU N N 54 123.828 123.267 0.561 1
1 468 . 16 1 1 A 55 55 ASN H H 55 8.705 8.928 -0.223 1
1 469 . 16 1 1 A 55 55 ASN HA H 55 4.434 4.426 0.008 1
1 474 . 16 1 1 A 55 55 ASN N N 55 114.672 115.688 -1.016 1
1 476 . 16 1 1 A 56 56 LYS H H 56 7.685 7.917 -0.232 1
1 477 . 16 1 1 A 56 56 LYS HA H 56 4.289 4.133 0.156 1
1 486 . 16 1 1 A 56 56 LYS N N 56 121.417 119.355 2.062 1
1 487 . 16 1 1 A 57 57 LEU H H 57 8.120 8.658 -0.538 1
1 488 . 16 1 1 A 57 57 LEU HA H 57 3.948 3.983 -0.035 1
1 498 . 16 1 1 A 57 57 LEU N N 57 118.616 119.452 -0.836 1
1 499 . 16 1 1 A 58 58 TYR H H 58 8.659 8.405 0.254 1
1 500 . 16 1 1 A 58 58 TYR HA H 58 4.124 4.099 0.025 1
1 507 . 16 1 1 A 58 58 TYR N N 58 119.812 119.162 0.650 1
1 508 . 16 1 1 A 59 59 GLU H H 59 7.999 8.661 -0.662 1
1 509 . 16 1 1 A 59 59 GLU HA H 59 3.945 4.059 -0.114 1
1 514 . 16 1 1 A 59 59 GLU N N 59 118.851 119.307 -0.456 1
1 515 . 16 1 1 A 60 60 TYR H H 60 8.132 8.351 -0.219 1
1 516 . 16 1 1 A 60 60 TYR HA H 60 4.056 4.153 -0.097 1
1 523 . 16 1 1 A 60 60 TYR N N 60 118.616 121.042 -2.426 1
1 524 . 16 1 1 A 61 61 ILE H H 61 7.985 7.699 0.286 1
1 525 . 16 1 1 A 61 61 ILE HA H 61 3.638 3.479 0.159 1
1 535 . 16 1 1 A 61 61 ILE N N 61 115.242 118.157 -2.915 1
1 536 . 16 1 1 A 62 62 GLU H H 62 7.409 8.142 -0.733 1
1 537 . 16 1 1 A 62 62 GLU HA H 62 4.056 3.953 0.103 1
1 542 . 16 1 1 A 62 62 GLU N N 62 118.370 120.701 -2.331 1
1 543 . 16 1 1 A 63 63 GLN H H 63 7.320 7.397 -0.077 1
1 544 . 16 1 1 A 63 63 GLN HA H 63 4.583 4.368 0.215 1
1 551 . 16 1 1 A 63 63 GLN N N 63 118.398 119.775 -1.377 1
1 553 . 16 1 1 A 64 64 SER H H 64 8.134 8.913 -0.779 1
1 554 . 16 1 1 A 64 64 SER HA H 64 4.122 3.984 0.138 1
1 557 . 16 1 1 A 64 64 SER N N 64 115.490 120.530 -5.040 1
1 558 . 16 1 1 A 65 65 LYS H H 65 8.663 7.816 0.847 1
1 559 . 16 1 1 A 65 65 LYS HA H 65 4.132 3.831 0.301 1
1 562 . 16 1 1 A 65 65 LYS N N 65 122.473 121.174 1.299 1
1 563 . 16 1 1 A 66 66 ASN H H 66 8.010 7.694 0.316 1
1 564 . 16 1 1 A 66 66 ASN HA H 66 3.809 4.667 -0.858 1
1 569 . 16 1 1 A 66 66 ASN N N 66 117.420 112.684 4.736 1
1 571 . 16 1 1 A 67 67 CYS H H 67 7.649 7.879 -0.230 1
1 572 . 16 1 1 A 67 67 CYS HA H 67 5.108 4.777 0.331 1
1 575 . 16 1 1 A 67 67 CYS N N 67 116.684 115.720 0.964 1
1 576 . 16 1 1 A 68 68 SER H H 68 8.891 9.406 -0.515 1
1 577 . 16 1 1 A 68 68 SER HA H 68 4.379 4.202 0.177 1
1 580 . 16 1 1 A 68 68 SER N N 68 115.241 118.553 -3.312 1
1 581 . 16 1 1 A 69 69 TYR H H 69 9.864 8.253 1.611 1
1 582 . 16 1 1 A 69 69 TYR HA H 69 4.569 4.072 0.497 1
1 589 . 16 1 1 A 69 69 TYR N N 69 124.277 122.892 1.385 1
1 590 . 16 1 1 A 70 70 CYS H H 70 7.841 7.875 -0.034 1
1 591 . 16 1 1 A 70 70 CYS HA H 70 4.920 4.583 0.337 1
1 594 . 16 1 1 A 70 70 CYS N N 70 115.300 115.720 -0.420 1
1 595 . 16 1 1 A 71 71 SER H H 71 8.032 7.355 0.677 1
1 596 . 16 1 1 A 71 71 SER HA H 71 4.673 4.685 -0.012 1
1 599 . 16 1 1 A 71 71 SER N N 71 119.327 117.051 2.276 1
1 600 . 16 1 1 A 72 72 GLU H H 72 8.701 8.861 -0.160 1
1 601 . 16 1 1 A 72 72 GLU HA H 72 4.459 4.353 0.106 1
1 606 . 16 1 1 A 72 72 GLU N N 72 122.947 123.346 -0.399 1
1 607 . 16 1 1 A 73 73 ASP H H 73 8.053 7.158 0.895 1
1 608 . 16 1 1 A 73 73 ASP HA H 73 4.529 4.624 -0.095 1
1 611 . 16 1 1 A 73 73 ASP N N 73 120.929 120.642 0.287 1
1 612 . 16 1 1 A 74 74 GLU H H 74 8.754 9.103 -0.349 1
1 613 . 16 1 1 A 74 74 GLU HA H 74 4.251 4.366 -0.115 1
1 618 . 16 1 1 A 74 74 GLU N N 74 122.241 126.209 -3.968 1
1 619 . 16 1 1 A 75 75 ASN H H 75 8.564 7.495 1.069 1
1 620 . 16 1 1 A 75 75 ASN HA H 75 4.803 4.788 0.015 1
1 625 . 16 1 1 A 75 75 ASN N N 75 117.681 117.819 -0.138 1
1 627 . 16 1 1 A 76 76 CYS H H 76 7.923 8.082 -0.159 1
1 628 . 16 1 1 A 76 76 CYS HA H 76 4.377 4.894 -0.517 1
1 631 . 16 1 1 A 76 76 CYS N N 76 120.055 123.728 -3.673 1
1 632 . 16 1 1 A 77 77 ASN H H 77 8.717 8.851 -0.134 1
1 633 . 16 1 1 A 77 77 ASN HA H 77 4.759 5.162 -0.403 1
1 638 . 16 1 1 A 77 77 ASN N N 77 122.469 124.448 -1.979 1
1 640 . 16 1 1 A 78 78 ASN H H 78 8.564 8.709 -0.145 1
1 641 . 16 1 1 A 78 78 ASN HA H 78 4.772 4.745 0.027 1
1 646 . 16 1 1 A 78 78 ASN N N 78 121.986 122.537 -0.551 1
1 648 . 16 1 1 A 79 79 LEU H H 79 8.160 8.596 -0.436 1
1 649 . 16 1 1 A 79 79 LEU HA H 79 4.282 3.990 0.292 1
1 659 . 16 1 1 A 79 79 LEU N N 79 122.221 125.998 -3.777 1
1 660 . 16 1 1 A 80 80 LEU H H 80 8.034 7.831 0.203 1
1 661 . 16 1 1 A 80 80 LEU HA H 80 4.391 4.351 0.040 1
1 671 . 16 1 1 A 80 80 LEU N N 80 121.024 119.882 1.142 1
1 672 . 16 1 1 A 81 81 GLU H H 81 8.105 8.833 -0.728 1
1 673 . 16 1 1 A 81 81 GLU HA H 81 4.298 4.156 0.142 1
1 678 . 16 1 1 A 81 81 GLU N N 81 122.466 125.456 -2.990 1
1 679 . 16 1 1 A 82 82 GLY H H 82 8.274 8.801 -0.527 1
1 680 . 16 1 1 A 82 82 GLY HA2 H 82 3.852 3.575 0.277 1
1 681 . 16 1 1 A 82 82 GLY HA3 H 82 3.988 3.763 0.225 1
1 682 . 16 1 1 A 82 82 GLY N N 82 112.347 114.625 -2.278 1
1 683 . 16 1 1 A 83 83 TYR H H 83 7.850 7.646 0.204 1
1 684 . 16 1 1 A 83 83 TYR HA H 83 5.113 5.342 -0.229 1
1 691 . 16 1 1 A 83 83 TYR N N 83 118.873 119.117 -0.244 1
1 692 . 16 1 1 A 84 84 HIS H H 84 9.473 9.054 0.419 1
1 693 . 16 1 1 A 84 84 HIS HA H 84 5.117 4.804 0.313 1
1 698 . 16 1 1 A 84 84 HIS N N 84 120.297 118.265 2.032 1
1 699 . 16 1 1 A 85 85 PRO HA H 85 4.678 4.426 0.252 1
1 706 . 16 1 1 A 86 86 LYS H H 86 9.027 8.972 0.055 1
1 707 . 16 1 1 A 86 86 LYS HA H 86 4.709 4.636 0.073 1
1 716 . 16 1 1 A 86 86 LYS N N 86 119.573 121.559 -1.986 1
1 717 . 16 1 1 A 87 87 LEU H H 87 7.785 7.826 -0.041 1
1 718 . 16 1 1 A 87 87 LEU HA H 87 4.414 4.309 0.105 1
1 727 . 16 1 1 A 87 87 LEU N N 87 123.673 125.847 -2.174 1
1 728 . 16 1 1 A 88 88 VAL H H 88 8.443 8.676 -0.233 1
1 729 . 16 1 1 A 88 88 VAL HA H 88 4.616 4.913 -0.297 1
1 737 . 16 1 1 A 88 88 VAL N N 88 115.720 118.082 -2.362 1
1 738 . 16 1 1 A 89 89 VAL H H 89 8.621 8.921 -0.300 1
1 739 . 16 1 1 A 89 89 VAL HA H 89 4.471 4.780 -0.309 1
1 747 . 16 1 1 A 89 89 VAL N N 89 122.477 125.138 -2.661 1
1 748 . 16 1 1 A 90 90 ASN H H 90 8.721 9.185 -0.464 1
1 749 . 16 1 1 A 90 90 ASN HA H 90 5.020 5.015 0.005 1
1 754 . 16 1 1 A 90 90 ASN N N 90 127.524 126.476 1.048 1
1 756 . 16 1 1 A 91 91 GLY H H 91 9.006 8.948 0.058 1
1 757 . 16 1 1 A 91 91 GLY HA2 H 91 3.639 3.874 -0.235 1
1 758 . 16 1 1 A 91 91 GLY HA3 H 91 3.993 3.876 0.117 1
1 759 . 16 1 1 A 91 91 GLY N N 91 115.517 115.923 -0.406 1
1 760 . 16 1 1 A 92 92 ARG H H 92 8.675 8.616 0.059 1
1 761 . 16 1 1 A 92 92 ARG HA H 92 4.530 4.411 0.119 1
1 768 . 16 1 1 A 92 92 ARG N N 92 125.836 126.509 -0.673 1
1 769 . 16 1 1 A 93 93 SER H H 93 7.875 7.444 0.431 1
1 770 . 16 1 1 A 93 93 SER HA H 93 4.707 4.990 -0.283 1
1 773 . 16 1 1 A 93 93 SER N N 93 114.996 115.522 -0.526 1
1 774 . 16 1 1 A 94 94 ILE H H 94 7.943 9.220 -1.277 1
1 775 . 16 1 1 A 94 94 ILE HA H 94 4.694 4.901 -0.207 1
1 785 . 16 1 1 A 94 94 ILE N N 94 123.668 125.158 -1.490 1
1 786 . 16 1 1 A 95 95 ASP H H 95 8.975 9.264 -0.289 1
1 787 . 16 1 1 A 95 95 ASP HA H 95 4.995 5.046 -0.051 1
1 790 . 16 1 1 A 95 95 ASP N N 95 128.002 127.589 0.413 1
1 791 . 16 1 1 A 96 96 ILE H H 96 8.672 8.786 -0.114 1
1 792 . 16 1 1 A 96 96 ILE HA H 96 4.669 4.821 -0.152 1
1 802 . 16 1 1 A 96 96 ILE N N 96 118.150 119.931 -1.781 1
1 803 . 16 1 1 A 97 97 GLU H H 97 8.990 9.020 -0.030 1
1 804 . 16 1 1 A 97 97 GLU HA H 97 4.604 4.921 -0.317 1
1 809 . 16 1 1 A 97 97 GLU N N 97 128.072 126.937 1.135 1
1 810 . 16 1 1 A 98 98 TYR H H 98 8.544 8.707 -0.163 1
1 811 . 16 1 1 A 98 98 TYR HA H 98 5.662 5.355 0.307 1
1 818 . 16 1 1 A 98 98 TYR N N 98 118.130 117.582 0.548 1
1 819 . 16 1 1 A 99 99 TYR H H 99 9.389 9.167 0.222 1
1 820 . 16 1 1 A 99 99 TYR HA H 99 5.258 5.739 -0.481 1
1 827 . 16 1 1 A 99 99 TYR N N 99 121.021 119.279 1.742 1
1 828 . 16 1 1 A 100 100 GLU H H 100 8.942 8.704 0.238 1
1 829 . 16 1 1 A 100 100 GLU HA H 100 3.495 4.588 -1.093 1
1 834 . 16 1 1 A 100 100 GLU N N 100 122.954 121.345 1.609 1
1 835 . 16 1 1 A 101 101 CYS H H 101 7.742 8.798 -1.056 1
1 836 . 16 1 1 A 101 101 CYS HA H 101 3.342 4.364 -1.022 1
1 839 . 16 1 1 A 101 101 CYS N N 101 125.649 125.657 -0.008 1
1 840 . 16 1 1 A 102 102 PRO HA H 102 4.415 4.471 -0.056 1
1 847 . 16 1 1 A 103 103 VAL H H 103 8.493 7.907 0.586 1
1 848 . 16 1 1 A 103 103 VAL HA H 103 3.990 3.993 -0.003 1
1 856 . 16 1 1 A 103 103 VAL N N 103 121.026 117.614 3.412 1
1 857 . 16 1 1 A 104 104 LYS H H 104 7.585 7.883 -0.298 1
1 858 . 16 1 1 A 104 104 LYS HA H 104 3.972 4.256 -0.284 1
1 867 . 16 1 1 A 104 104 LYS N N 104 122.941 120.140 2.801 1
1 868 . 16 1 1 A 105 105 ARG H H 105 7.848 7.527 0.321 1
1 869 . 16 1 1 A 105 105 ARG HA H 105 4.276 4.451 -0.175 1
1 876 . 16 1 1 A 105 105 ARG N N 105 121.986 118.673 3.313 1
1 6 . 17 1 1 A 2 2 GLU HA H 2 4.671 5.047 -0.376 1
1 11 . 17 1 1 A 3 3 PRO HA H 3 4.473 4.674 -0.201 1
1 18 . 17 1 1 A 4 4 ILE H H 4 8.270 8.492 -0.222 1
1 19 . 17 1 1 A 4 4 ILE HA H 4 4.156 4.052 0.104 1
1 29 . 17 1 1 A 4 4 ILE N N 4 121.501 121.561 -0.060 1
1 30 . 17 1 1 A 5 5 GLY H H 5 8.516 7.875 0.641 1
1 31 . 17 1 1 A 5 5 GLY HA2 H 5 3.952 4.217 -0.265 1
1 32 . 17 1 1 A 5 5 GLY HA3 H 5 3.992 4.217 -0.225 1
1 33 . 17 1 1 A 5 5 GLY N N 5 112.831 107.660 5.171 1
1 34 . 17 1 1 A 6 6 ARG H H 6 8.197 8.497 -0.300 1
1 35 . 17 1 1 A 6 6 ARG HA H 6 4.383 4.482 -0.099 1
1 42 . 17 1 1 A 6 6 ARG N N 6 121.014 123.696 -2.682 1
1 43 . 17 1 1 A 7 7 SER H H 7 8.400 8.501 -0.101 1
1 44 . 17 1 1 A 7 7 SER HA H 7 4.472 4.803 -0.331 1
1 47 . 17 1 1 A 7 7 SER N N 7 116.921 117.227 -0.306 1
1 48 . 17 1 1 A 8 8 LEU H H 8 8.376 7.844 0.532 1
1 49 . 17 1 1 A 8 8 LEU HA H 8 4.390 4.223 0.167 1
1 59 . 17 1 1 A 8 8 LEU N N 8 124.394 123.123 1.271 1
1 60 . 17 1 1 A 9 9 GLN H H 9 8.292 7.667 0.625 1
1 61 . 17 1 1 A 9 9 GLN HA H 9 4.323 4.714 -0.391 1
1 68 . 17 1 1 A 9 9 GLN N N 9 120.593 119.016 1.577 1
1 70 . 17 1 1 A 10 10 GLY H H 10 8.417 8.782 -0.365 1
1 71 . 17 1 1 A 10 10 GLY HA2 H 10 3.992 4.099 -0.107 1
1 72 . 17 1 1 A 10 10 GLY HA3 H 10 3.992 4.099 -0.107 1
1 73 . 17 1 1 A 10 10 GLY N N 10 110.179 113.895 -3.716 1
1 74 . 17 1 1 A 11 11 VAL H H 11 8.040 8.585 -0.545 1
1 75 . 17 1 1 A 11 11 VAL HA H 11 4.208 4.132 0.076 1
1 83 . 17 1 1 A 11 11 VAL N N 11 119.334 120.705 -1.371 1
1 84 . 17 1 1 A 12 12 THR H H 12 8.210 8.409 -0.199 1
1 85 . 17 1 1 A 12 12 THR HA H 12 4.285 5.024 -0.739 1
1 90 . 17 1 1 A 12 12 THR N N 12 117.160 117.431 -0.271 1
1 91 . 17 1 1 A 13 13 GLY H H 13 8.388 8.829 -0.441 1
1 92 . 17 1 1 A 13 13 GLY HA2 H 13 3.988 3.997 -0.009 1
1 93 . 17 1 1 A 13 13 GLY HA3 H 13 4.027 3.998 0.029 1
1 94 . 17 1 1 A 13 13 GLY N N 13 111.151 114.167 -3.016 1
1 95 . 17 1 1 A 14 14 ARG H H 14 8.169 8.391 -0.222 1
1 96 . 17 1 1 A 14 14 ARG HA H 14 4.668 4.973 -0.305 1
1 103 . 17 1 1 A 14 14 ARG N N 14 121.499 119.718 1.781 1
1 104 . 17 1 1 A 15 15 PRO HA H 15 4.426 4.664 -0.238 1
1 111 . 17 1 1 A 16 16 ASP H H 16 8.475 8.536 -0.061 1
1 112 . 17 1 1 A 16 16 ASP HA H 16 4.556 4.419 0.137 1
1 115 . 17 1 1 A 16 16 ASP N N 16 119.586 124.015 -4.429 1
1 116 . 17 1 1 A 17 17 PHE H H 17 8.179 8.262 -0.083 1
1 117 . 17 1 1 A 17 17 PHE HA H 17 4.366 4.112 0.254 1
1 125 . 17 1 1 A 17 17 PHE N N 17 121.747 122.925 -1.178 1
1 126 . 17 1 1 A 18 18 GLN H H 18 8.200 8.575 -0.375 1
1 127 . 17 1 1 A 18 18 GLN HA H 18 3.998 3.988 0.010 1
1 134 . 17 1 1 A 18 18 GLN N N 18 119.816 117.490 2.326 1
1 136 . 17 1 1 A 19 19 LYS H H 19 7.986 7.626 0.360 1
1 137 . 17 1 1 A 19 19 LYS HA H 19 4.126 4.081 0.045 1
1 146 . 17 1 1 A 19 19 LYS N N 19 120.081 119.497 0.584 1
1 147 . 17 1 1 A 20 20 ARG H H 20 7.918 7.761 0.157 1
1 148 . 17 1 1 A 20 20 ARG HA H 20 4.125 4.030 0.095 1
1 155 . 17 1 1 A 20 20 ARG N N 20 118.851 119.318 -0.467 1
1 156 . 17 1 1 A 21 21 LEU H H 21 7.954 7.842 0.112 1
1 157 . 17 1 1 A 21 21 LEU HA H 21 4.127 3.821 0.306 1
1 167 . 17 1 1 A 21 21 LEU N N 21 121.258 120.736 0.522 1
1 168 . 17 1 1 A 22 22 GLU H H 22 8.169 8.515 -0.346 1
1 169 . 17 1 1 A 22 22 GLU HA H 22 3.981 4.000 -0.019 1
1 174 . 17 1 1 A 22 22 GLU N N 22 119.093 118.219 0.874 1
1 175 . 17 1 1 A 23 23 GLN H H 23 8.015 8.257 -0.242 1
1 176 . 17 1 1 A 23 23 GLN HA H 23 4.174 4.055 0.119 1
1 183 . 17 1 1 A 23 23 GLN N N 23 119.335 120.041 -0.706 1
1 185 . 17 1 1 A 24 24 MET H H 24 8.209 8.651 -0.442 1
1 186 . 17 1 1 A 24 24 MET HA H 24 4.005 4.015 -0.010 1
1 194 . 17 1 1 A 24 24 MET N N 24 119.750 118.339 1.411 1
1 195 . 17 1 1 A 25 25 LYS H H 25 8.387 7.995 0.392 1
1 196 . 17 1 1 A 25 25 LYS HA H 25 3.797 3.892 -0.095 1
1 205 . 17 1 1 A 25 25 LYS N N 25 119.097 120.496 -1.399 1
1 206 . 17 1 1 A 26 26 GLU H H 26 7.936 8.570 -0.634 1
1 207 . 17 1 1 A 26 26 GLU HA H 26 3.989 3.966 0.023 1
1 212 . 17 1 1 A 26 26 GLU N N 26 117.895 118.763 -0.868 1
1 213 . 17 1 1 A 27 27 LYS H H 27 7.608 7.693 -0.085 1
1 214 . 17 1 1 A 27 27 LYS HA H 27 4.027 4.163 -0.136 1
1 223 . 17 1 1 A 27 27 LYS N N 27 117.438 118.919 -1.481 1
1 224 . 17 1 1 A 28 28 VAL H H 28 8.285 8.259 0.026 1
1 225 . 17 1 1 A 28 28 VAL HA H 28 3.813 3.717 0.096 1
1 233 . 17 1 1 A 28 28 VAL N N 28 118.134 119.552 -1.418 1
1 234 . 17 1 1 A 29 29 MET H H 29 8.030 7.930 0.100 1
1 235 . 17 1 1 A 29 29 MET HA H 29 4.422 4.351 0.071 1
1 243 . 17 1 1 A 29 29 MET N N 29 112.840 118.577 -5.737 1
1 244 . 17 1 1 A 30 30 LYS H H 30 7.320 7.629 -0.309 1
1 245 . 17 1 1 A 30 30 LYS HA H 30 4.304 4.337 -0.033 1
1 254 . 17 1 1 A 30 30 LYS N N 30 116.038 117.067 -1.029 1
1 255 . 17 1 1 A 31 31 ASP H H 31 7.495 7.495 0.000 1
1 256 . 17 1 1 A 31 31 ASP HA H 31 4.594 4.735 -0.141 1
1 259 . 17 1 1 A 31 31 ASP N N 31 122.944 121.569 1.375 1
1 260 . 17 1 1 A 32 32 GLN H H 32 9.076 8.882 0.194 1
1 261 . 17 1 1 A 32 32 GLN HA H 32 4.029 3.942 0.087 1
1 268 . 17 1 1 A 32 32 GLN N N 32 126.326 125.432 0.894 1
1 270 . 17 1 1 A 33 33 ASP H H 33 8.456 8.034 0.422 1
1 271 . 17 1 1 A 33 33 ASP HA H 33 4.671 4.500 0.171 1
1 274 . 17 1 1 A 33 33 ASP N N 33 122.586 120.200 2.386 1
1 275 . 17 1 1 A 34 34 VAL H H 34 9.317 8.567 0.750 1
1 276 . 17 1 1 A 34 34 VAL HA H 34 3.521 3.567 -0.046 1
1 284 . 17 1 1 A 34 34 VAL N N 34 124.689 120.806 3.883 1
1 285 . 17 1 1 A 35 35 GLN H H 35 8.633 8.217 0.416 1
1 286 . 17 1 1 A 35 35 GLN HA H 35 3.901 4.074 -0.173 1
1 293 . 17 1 1 A 35 35 GLN N N 35 117.209 119.750 -2.541 1
1 295 . 17 1 1 A 36 36 ALA H H 36 7.935 7.857 0.078 1
1 296 . 17 1 1 A 36 36 ALA HA H 36 4.211 4.135 0.076 1
1 300 . 17 1 1 A 36 36 ALA N N 36 121.503 122.554 -1.051 1
1 301 . 17 1 1 A 37 37 PHE H H 37 7.862 8.090 -0.228 1
1 302 . 17 1 1 A 37 37 PHE HA H 37 4.357 4.251 0.106 1
1 310 . 17 1 1 A 37 37 PHE N N 37 121.040 119.902 1.138 1
1 311 . 17 1 1 A 38 38 LEU H H 38 8.848 8.741 0.107 1
1 312 . 17 1 1 A 38 38 LEU HA H 38 3.581 3.791 -0.210 1
1 322 . 17 1 1 A 38 38 LEU N N 38 120.561 119.836 0.725 1
1 323 . 17 1 1 A 39 39 LYS H H 39 7.885 7.991 -0.106 1
1 324 . 17 1 1 A 39 39 LYS HA H 39 4.142 4.055 0.087 1
1 333 . 17 1 1 A 39 39 LYS N N 39 118.613 118.989 -0.376 1
1 334 . 17 1 1 A 40 40 GLU H H 40 8.134 7.674 0.460 1
1 335 . 17 1 1 A 40 40 GLU HA H 40 4.054 4.039 0.015 1
1 340 . 17 1 1 A 40 40 GLU N N 40 119.387 119.880 -0.493 1
1 341 . 17 1 1 A 41 41 ASN H H 41 7.089 7.600 -0.511 1
1 342 . 17 1 1 A 41 41 ASN HA H 41 4.933 4.899 0.034 1
1 347 . 17 1 1 A 41 41 ASN N N 41 114.032 116.323 -2.291 1
1 349 . 17 1 1 A 42 42 GLU H H 42 7.086 8.204 -1.118 1
1 350 . 17 1 1 A 42 42 GLU HA H 42 3.957 3.978 -0.021 1
1 355 . 17 1 1 A 42 42 GLU N N 42 121.023 118.925 2.098 1
1 356 . 17 1 1 A 43 43 GLU H H 43 8.648 7.914 0.734 1
1 357 . 17 1 1 A 43 43 GLU HA H 43 4.207 4.136 0.071 1
1 362 . 17 1 1 A 43 43 GLU N N 43 115.965 120.378 -4.413 1
1 363 . 17 1 1 A 44 44 VAL H H 44 7.526 7.541 -0.015 1
1 364 . 17 1 1 A 44 44 VAL HA H 44 4.445 4.121 0.324 1
1 372 . 17 1 1 A 44 44 VAL N N 44 110.987 117.159 -6.172 1
1 373 . 17 1 1 A 45 45 ILE H H 45 7.246 7.730 -0.484 1
1 374 . 17 1 1 A 45 45 ILE HA H 45 4.531 4.165 0.366 1
1 384 . 17 1 1 A 45 45 ILE N N 45 119.815 119.435 0.380 1
1 385 . 17 1 1 A 46 46 ASP H H 46 7.351 8.327 -0.976 1
1 386 . 17 1 1 A 46 46 ASP HA H 46 4.958 4.987 -0.029 1
1 389 . 17 1 1 A 46 46 ASP N N 46 124.659 127.393 -2.734 1
1 390 . 17 1 1 A 47 47 GLN H H 47 8.504 8.697 -0.193 1
1 391 . 17 1 1 A 47 47 GLN HA H 47 3.949 3.941 0.008 1
1 398 . 17 1 1 A 47 47 GLN N N 47 117.654 123.570 -5.916 1
1 400 . 17 1 1 A 48 48 LYS H H 48 8.030 8.095 -0.065 1
1 401 . 17 1 1 A 48 48 LYS HA H 48 4.132 4.031 0.101 1
1 410 . 17 1 1 A 48 48 LYS N N 48 119.335 119.433 -0.098 1
1 411 . 17 1 1 A 49 49 MET H H 49 8.250 8.209 0.041 1
1 412 . 17 1 1 A 49 49 MET HA H 49 4.132 4.188 -0.056 1
1 420 . 17 1 1 A 49 49 MET N N 49 120.061 118.887 1.174 1
1 421 . 17 1 1 A 50 50 ILE H H 50 7.726 7.899 -0.173 1
1 422 . 17 1 1 A 50 50 ILE HA H 50 3.379 3.621 -0.242 1
1 432 . 17 1 1 A 50 50 ILE N N 50 120.912 119.812 1.100 1
1 433 . 17 1 1 A 51 51 GLU H H 51 8.044 8.086 -0.042 1
1 434 . 17 1 1 A 51 51 GLU HA H 51 3.906 4.032 -0.126 1
1 439 . 17 1 1 A 51 51 GLU N N 51 117.413 120.525 -3.112 1
1 440 . 17 1 1 A 52 52 LYS H H 52 8.249 8.247 0.002 1
1 441 . 17 1 1 A 52 52 LYS HA H 52 4.318 4.095 0.223 1
1 450 . 17 1 1 A 52 52 LYS N N 52 117.183 120.512 -3.329 1
1 451 . 17 1 1 A 53 53 SER H H 53 7.664 7.616 0.048 1
1 452 . 17 1 1 A 53 53 SER HA H 53 5.067 4.591 0.476 1
1 455 . 17 1 1 A 53 53 SER N N 53 113.070 113.791 -0.721 1
1 456 . 17 1 1 A 54 54 LEU H H 54 7.375 7.617 -0.242 1
1 457 . 17 1 1 A 54 54 LEU HA H 54 3.980 4.001 -0.021 1
1 467 . 17 1 1 A 54 54 LEU N N 54 123.828 123.705 0.123 1
1 468 . 17 1 1 A 55 55 ASN H H 55 8.705 8.802 -0.097 1
1 469 . 17 1 1 A 55 55 ASN HA H 55 4.434 4.480 -0.046 1
1 474 . 17 1 1 A 55 55 ASN N N 55 114.672 115.792 -1.120 1
1 476 . 17 1 1 A 56 56 LYS H H 56 7.685 7.764 -0.079 1
1 477 . 17 1 1 A 56 56 LYS HA H 56 4.289 4.118 0.171 1
1 486 . 17 1 1 A 56 56 LYS N N 56 121.417 119.639 1.778 1
1 487 . 17 1 1 A 57 57 LEU H H 57 8.120 8.595 -0.475 1
1 488 . 17 1 1 A 57 57 LEU HA H 57 3.948 3.982 -0.034 1
1 498 . 17 1 1 A 57 57 LEU N N 57 118.616 119.164 -0.548 1
1 499 . 17 1 1 A 58 58 TYR H H 58 8.659 8.740 -0.081 1
1 500 . 17 1 1 A 58 58 TYR HA H 58 4.124 4.075 0.049 1
1 507 . 17 1 1 A 58 58 TYR N N 58 119.812 119.614 0.198 1
1 508 . 17 1 1 A 59 59 GLU H H 59 7.999 8.453 -0.454 1
1 509 . 17 1 1 A 59 59 GLU HA H 59 3.945 3.965 -0.020 1
1 514 . 17 1 1 A 59 59 GLU N N 59 118.851 119.587 -0.736 1
1 515 . 17 1 1 A 60 60 TYR H H 60 8.132 8.243 -0.111 1
1 516 . 17 1 1 A 60 60 TYR HA H 60 4.056 4.089 -0.033 1
1 523 . 17 1 1 A 60 60 TYR N N 60 118.616 120.903 -2.287 1
1 524 . 17 1 1 A 61 61 ILE H H 61 7.985 7.776 0.209 1
1 525 . 17 1 1 A 61 61 ILE HA H 61 3.638 3.657 -0.019 1
1 535 . 17 1 1 A 61 61 ILE N N 61 115.242 117.637 -2.395 1
1 536 . 17 1 1 A 62 62 GLU H H 62 7.409 8.204 -0.795 1
1 537 . 17 1 1 A 62 62 GLU HA H 62 4.056 4.065 -0.009 1
1 542 . 17 1 1 A 62 62 GLU N N 62 118.370 120.405 -2.035 1
1 543 . 17 1 1 A 63 63 GLN H H 63 7.320 6.986 0.334 1
1 544 . 17 1 1 A 63 63 GLN HA H 63 4.583 4.293 0.290 1
1 551 . 17 1 1 A 63 63 GLN N N 63 118.398 119.616 -1.218 1
1 553 . 17 1 1 A 64 64 SER H H 64 8.134 8.803 -0.669 1
1 554 . 17 1 1 A 64 64 SER HA H 64 4.122 4.281 -0.159 1
1 557 . 17 1 1 A 64 64 SER N N 64 115.490 117.903 -2.413 1
1 558 . 17 1 1 A 65 65 LYS H H 65 8.663 8.525 0.138 1
1 559 . 17 1 1 A 65 65 LYS HA H 65 4.132 3.867 0.265 1
1 562 . 17 1 1 A 65 65 LYS N N 65 122.473 127.220 -4.747 1
1 563 . 17 1 1 A 66 66 ASN H H 66 8.010 7.701 0.309 1
1 564 . 17 1 1 A 66 66 ASN HA H 66 3.809 4.672 -0.863 1
1 569 . 17 1 1 A 66 66 ASN N N 66 117.420 116.163 1.257 1
1 571 . 17 1 1 A 67 67 CYS H H 67 7.649 8.496 -0.847 1
1 572 . 17 1 1 A 67 67 CYS HA H 67 5.108 4.665 0.443 1
1 575 . 17 1 1 A 67 67 CYS N N 67 116.684 115.952 0.732 1
1 576 . 17 1 1 A 68 68 SER H H 68 8.891 8.740 0.151 1
1 577 . 17 1 1 A 68 68 SER HA H 68 4.379 4.754 -0.375 1
1 580 . 17 1 1 A 68 68 SER N N 68 115.241 116.957 -1.716 1
1 581 . 17 1 1 A 69 69 TYR H H 69 9.864 7.425 2.439 1
1 582 . 17 1 1 A 69 69 TYR HA H 69 4.569 4.366 0.203 1
1 589 . 17 1 1 A 69 69 TYR N N 69 124.277 121.989 2.288 1
1 590 . 17 1 1 A 70 70 CYS H H 70 7.841 7.957 -0.116 1
1 591 . 17 1 1 A 70 70 CYS HA H 70 4.920 4.757 0.163 1
1 594 . 17 1 1 A 70 70 CYS N N 70 115.300 115.639 -0.339 1
1 595 . 17 1 1 A 71 71 SER H H 71 8.032 8.905 -0.873 1
1 596 . 17 1 1 A 71 71 SER HA H 71 4.673 4.847 -0.174 1
1 599 . 17 1 1 A 71 71 SER N N 71 119.327 115.219 4.108 1
1 600 . 17 1 1 A 72 72 GLU H H 72 8.701 8.773 -0.072 1
1 601 . 17 1 1 A 72 72 GLU HA H 72 4.459 4.369 0.090 1
1 606 . 17 1 1 A 72 72 GLU N N 72 122.947 121.892 1.055 1
1 607 . 17 1 1 A 73 73 ASP H H 73 8.053 7.582 0.471 1
1 608 . 17 1 1 A 73 73 ASP HA H 73 4.529 4.485 0.044 1
1 611 . 17 1 1 A 73 73 ASP N N 73 120.929 121.898 -0.969 1
1 612 . 17 1 1 A 74 74 GLU H H 74 8.754 8.631 0.123 1
1 613 . 17 1 1 A 74 74 GLU HA H 74 4.251 4.232 0.019 1
1 618 . 17 1 1 A 74 74 GLU N N 74 122.241 123.577 -1.336 1
1 619 . 17 1 1 A 75 75 ASN H H 75 8.564 7.967 0.597 1
1 620 . 17 1 1 A 75 75 ASN HA H 75 4.803 4.557 0.246 1
1 625 . 17 1 1 A 75 75 ASN N N 75 117.681 117.643 0.038 1
1 627 . 17 1 1 A 76 76 CYS H H 76 7.923 7.810 0.113 1
1 628 . 17 1 1 A 76 76 CYS HA H 76 4.377 4.622 -0.245 1
1 631 . 17 1 1 A 76 76 CYS N N 76 120.055 116.333 3.722 1
1 632 . 17 1 1 A 77 77 ASN H H 77 8.717 8.800 -0.083 1
1 633 . 17 1 1 A 77 77 ASN HA H 77 4.759 4.914 -0.155 1
1 638 . 17 1 1 A 77 77 ASN N N 77 122.469 123.319 -0.850 1
1 640 . 17 1 1 A 78 78 ASN H H 78 8.564 8.787 -0.223 1
1 641 . 17 1 1 A 78 78 ASN HA H 78 4.772 4.903 -0.131 1
1 646 . 17 1 1 A 78 78 ASN N N 78 121.986 123.405 -1.419 1
1 648 . 17 1 1 A 79 79 LEU H H 79 8.160 8.520 -0.360 1
1 649 . 17 1 1 A 79 79 LEU HA H 79 4.282 3.924 0.358 1
1 659 . 17 1 1 A 79 79 LEU N N 79 122.221 125.522 -3.301 1
1 660 . 17 1 1 A 80 80 LEU H H 80 8.034 7.823 0.211 1
1 661 . 17 1 1 A 80 80 LEU HA H 80 4.391 4.173 0.218 1
1 671 . 17 1 1 A 80 80 LEU N N 80 121.024 119.166 1.858 1
1 672 . 17 1 1 A 81 81 GLU H H 81 8.105 7.999 0.106 1
1 673 . 17 1 1 A 81 81 GLU HA H 81 4.298 4.239 0.059 1
1 678 . 17 1 1 A 81 81 GLU N N 81 122.466 124.627 -2.161 1
1 679 . 17 1 1 A 82 82 GLY H H 82 8.274 8.934 -0.660 1
1 680 . 17 1 1 A 82 82 GLY HA2 H 82 3.852 4.040 -0.188 1
1 681 . 17 1 1 A 82 82 GLY HA3 H 82 3.988 4.085 -0.097 1
1 682 . 17 1 1 A 82 82 GLY N N 82 112.347 112.926 -0.579 1
1 683 . 17 1 1 A 83 83 TYR H H 83 7.850 8.098 -0.248 1
1 684 . 17 1 1 A 83 83 TYR HA H 83 5.113 5.135 -0.022 1
1 691 . 17 1 1 A 83 83 TYR N N 83 118.873 119.455 -0.582 1
1 692 . 17 1 1 A 84 84 HIS H H 84 9.473 9.099 0.374 1
1 693 . 17 1 1 A 84 84 HIS HA H 84 5.117 4.955 0.162 1
1 698 . 17 1 1 A 84 84 HIS N N 84 120.297 118.127 2.170 1
1 699 . 17 1 1 A 85 85 PRO HA H 85 4.678 4.450 0.228 1
1 706 . 17 1 1 A 86 86 LYS H H 86 9.027 9.240 -0.213 1
1 707 . 17 1 1 A 86 86 LYS HA H 86 4.709 5.278 -0.569 1
1 716 . 17 1 1 A 86 86 LYS N N 86 119.573 123.335 -3.762 1
1 717 . 17 1 1 A 87 87 LEU H H 87 7.785 8.192 -0.407 1
1 718 . 17 1 1 A 87 87 LEU HA H 87 4.414 4.009 0.405 1
1 727 . 17 1 1 A 87 87 LEU N N 87 123.673 126.699 -3.026 1
1 728 . 17 1 1 A 88 88 VAL H H 88 8.443 8.920 -0.477 1
1 729 . 17 1 1 A 88 88 VAL HA H 88 4.616 4.925 -0.309 1
1 737 . 17 1 1 A 88 88 VAL N N 88 115.720 118.144 -2.424 1
1 738 . 17 1 1 A 89 89 VAL H H 89 8.621 9.130 -0.509 1
1 739 . 17 1 1 A 89 89 VAL HA H 89 4.471 4.733 -0.262 1
1 747 . 17 1 1 A 89 89 VAL N N 89 122.477 124.095 -1.618 1
1 748 . 17 1 1 A 90 90 ASN H H 90 8.721 9.239 -0.518 1
1 749 . 17 1 1 A 90 90 ASN HA H 90 5.020 5.092 -0.072 1
1 754 . 17 1 1 A 90 90 ASN N N 90 127.524 127.610 -0.086 1
1 756 . 17 1 1 A 91 91 GLY H H 91 9.006 8.932 0.074 1
1 757 . 17 1 1 A 91 91 GLY HA2 H 91 3.639 3.869 -0.230 1
1 758 . 17 1 1 A 91 91 GLY HA3 H 91 3.993 3.869 0.124 1
1 759 . 17 1 1 A 91 91 GLY N N 91 115.517 115.743 -0.226 1
1 760 . 17 1 1 A 92 92 ARG H H 92 8.675 8.616 0.059 1
1 761 . 17 1 1 A 92 92 ARG HA H 92 4.530 4.464 0.066 1
1 768 . 17 1 1 A 92 92 ARG N N 92 125.836 125.696 0.140 1
1 769 . 17 1 1 A 93 93 SER H H 93 7.875 7.705 0.170 1
1 770 . 17 1 1 A 93 93 SER HA H 93 4.707 5.119 -0.412 1
1 773 . 17 1 1 A 93 93 SER N N 93 114.996 111.955 3.041 1
1 774 . 17 1 1 A 94 94 ILE H H 94 7.943 8.932 -0.989 1
1 775 . 17 1 1 A 94 94 ILE HA H 94 4.694 4.962 -0.268 1
1 785 . 17 1 1 A 94 94 ILE N N 94 123.668 123.495 0.173 1
1 786 . 17 1 1 A 95 95 ASP H H 95 8.975 9.199 -0.224 1
1 787 . 17 1 1 A 95 95 ASP HA H 95 4.995 5.292 -0.297 1
1 790 . 17 1 1 A 95 95 ASP N N 95 128.002 126.419 1.583 1
1 791 . 17 1 1 A 96 96 ILE H H 96 8.672 8.447 0.225 1
1 792 . 17 1 1 A 96 96 ILE HA H 96 4.669 4.671 -0.002 1
1 802 . 17 1 1 A 96 96 ILE N N 96 118.150 120.671 -2.521 1
1 803 . 17 1 1 A 97 97 GLU H H 97 8.990 9.032 -0.042 1
1 804 . 17 1 1 A 97 97 GLU HA H 97 4.604 4.946 -0.342 1
1 809 . 17 1 1 A 97 97 GLU N N 97 128.072 126.954 1.118 1
1 810 . 17 1 1 A 98 98 TYR H H 98 8.544 8.715 -0.171 1
1 811 . 17 1 1 A 98 98 TYR HA H 98 5.662 5.723 -0.061 1
1 818 . 17 1 1 A 98 98 TYR N N 98 118.130 117.777 0.353 1
1 819 . 17 1 1 A 99 99 TYR H H 99 9.389 9.035 0.354 1
1 820 . 17 1 1 A 99 99 TYR HA H 99 5.258 5.886 -0.628 1
1 827 . 17 1 1 A 99 99 TYR N N 99 121.021 120.929 0.092 1
1 828 . 17 1 1 A 100 100 GLU H H 100 8.942 8.492 0.450 1
1 829 . 17 1 1 A 100 100 GLU HA H 100 3.495 3.640 -0.145 1
1 834 . 17 1 1 A 100 100 GLU N N 100 122.954 120.350 2.604 1
1 835 . 17 1 1 A 101 101 CYS H H 101 7.742 8.594 -0.852 1
1 836 . 17 1 1 A 101 101 CYS HA H 101 3.342 4.147 -0.805 1
1 839 . 17 1 1 A 101 101 CYS N N 101 125.649 123.958 1.691 1
1 840 . 17 1 1 A 102 102 PRO HA H 102 4.415 4.296 0.119 1
1 847 . 17 1 1 A 103 103 VAL H H 103 8.493 7.378 1.115 1
1 848 . 17 1 1 A 103 103 VAL HA H 103 3.990 3.794 0.196 1
1 856 . 17 1 1 A 103 103 VAL N N 103 121.026 116.496 4.530 1
1 857 . 17 1 1 A 104 104 LYS H H 104 7.585 7.942 -0.357 1
1 858 . 17 1 1 A 104 104 LYS HA H 104 3.972 3.917 0.055 1
1 867 . 17 1 1 A 104 104 LYS N N 104 122.941 120.100 2.841 1
1 868 . 17 1 1 A 105 105 ARG H H 105 7.848 7.043 0.805 1
1 869 . 17 1 1 A 105 105 ARG HA H 105 4.276 4.488 -0.212 1
1 876 . 17 1 1 A 105 105 ARG N N 105 121.986 114.226 7.760 1
1 6 . 18 1 1 A 2 2 GLU HA H 2 4.671 4.743 -0.072 1
1 11 . 18 1 1 A 3 3 PRO HA H 3 4.473 4.630 -0.157 1
1 18 . 18 1 1 A 4 4 ILE H H 4 8.270 8.406 -0.136 1
1 19 . 18 1 1 A 4 4 ILE HA H 4 4.156 4.560 -0.404 1
1 29 . 18 1 1 A 4 4 ILE N N 4 121.501 123.469 -1.968 1
1 30 . 18 1 1 A 5 5 GLY H H 5 8.516 8.909 -0.393 1
1 31 . 18 1 1 A 5 5 GLY HA2 H 5 3.952 4.175 -0.223 1
1 32 . 18 1 1 A 5 5 GLY HA3 H 5 3.992 4.176 -0.184 1
1 33 . 18 1 1 A 5 5 GLY N N 5 112.831 115.476 -2.645 1
1 34 . 18 1 1 A 6 6 ARG H H 6 8.197 8.728 -0.531 1
1 35 . 18 1 1 A 6 6 ARG HA H 6 4.383 4.601 -0.218 1
1 42 . 18 1 1 A 6 6 ARG N N 6 121.014 126.343 -5.329 1
1 43 . 18 1 1 A 7 7 SER H H 7 8.400 7.651 0.749 1
1 44 . 18 1 1 A 7 7 SER HA H 7 4.472 4.411 0.061 1
1 47 . 18 1 1 A 7 7 SER N N 7 116.921 114.620 2.301 1
1 48 . 18 1 1 A 8 8 LEU H H 8 8.376 8.986 -0.610 1
1 49 . 18 1 1 A 8 8 LEU HA H 8 4.390 4.611 -0.221 1
1 59 . 18 1 1 A 8 8 LEU N N 8 124.394 126.723 -2.329 1
1 60 . 18 1 1 A 9 9 GLN H H 9 8.292 7.702 0.590 1
1 61 . 18 1 1 A 9 9 GLN HA H 9 4.323 4.833 -0.510 1
1 68 . 18 1 1 A 9 9 GLN N N 9 120.593 116.638 3.955 1
1 70 . 18 1 1 A 10 10 GLY H H 10 8.417 8.960 -0.543 1
1 71 . 18 1 1 A 10 10 GLY HA2 H 10 3.992 4.183 -0.191 1
1 72 . 18 1 1 A 10 10 GLY HA3 H 10 3.992 4.184 -0.192 1
1 73 . 18 1 1 A 10 10 GLY N N 10 110.179 109.814 0.365 1
1 74 . 18 1 1 A 11 11 VAL H H 11 8.040 8.886 -0.846 1
1 75 . 18 1 1 A 11 11 VAL HA H 11 4.208 4.229 -0.021 1
1 83 . 18 1 1 A 11 11 VAL N N 11 119.334 121.067 -1.733 1
1 84 . 18 1 1 A 12 12 THR H H 12 8.210 8.284 -0.074 1
1 85 . 18 1 1 A 12 12 THR HA H 12 4.285 4.639 -0.354 1
1 90 . 18 1 1 A 12 12 THR N N 12 117.160 124.326 -7.166 1
1 91 . 18 1 1 A 13 13 GLY H H 13 8.388 8.952 -0.564 1
1 92 . 18 1 1 A 13 13 GLY HA2 H 13 3.988 3.862 0.126 1
1 93 . 18 1 1 A 13 13 GLY HA3 H 13 4.027 3.863 0.164 1
1 94 . 18 1 1 A 13 13 GLY N N 13 111.151 116.695 -5.544 1
1 95 . 18 1 1 A 14 14 ARG H H 14 8.169 8.481 -0.312 1
1 96 . 18 1 1 A 14 14 ARG HA H 14 4.668 4.928 -0.260 1
1 103 . 18 1 1 A 14 14 ARG N N 14 121.499 125.056 -3.557 1
1 104 . 18 1 1 A 15 15 PRO HA H 15 4.426 4.662 -0.236 1
1 111 . 18 1 1 A 16 16 ASP H H 16 8.475 8.532 -0.057 1
1 112 . 18 1 1 A 16 16 ASP HA H 16 4.556 4.482 0.074 1
1 115 . 18 1 1 A 16 16 ASP N N 16 119.586 124.202 -4.616 1
1 116 . 18 1 1 A 17 17 PHE H H 17 8.179 8.248 -0.069 1
1 117 . 18 1 1 A 17 17 PHE HA H 17 4.366 4.091 0.275 1
1 125 . 18 1 1 A 17 17 PHE N N 17 121.747 122.733 -0.986 1
1 126 . 18 1 1 A 18 18 GLN H H 18 8.200 8.383 -0.183 1
1 127 . 18 1 1 A 18 18 GLN HA H 18 3.998 4.013 -0.015 1
1 134 . 18 1 1 A 18 18 GLN N N 18 119.816 117.753 2.063 1
1 136 . 18 1 1 A 19 19 LYS H H 19 7.986 7.584 0.402 1
1 137 . 18 1 1 A 19 19 LYS HA H 19 4.126 4.012 0.114 1
1 146 . 18 1 1 A 19 19 LYS N N 19 120.081 119.729 0.352 1
1 147 . 18 1 1 A 20 20 ARG H H 20 7.918 8.105 -0.187 1
1 148 . 18 1 1 A 20 20 ARG HA H 20 4.125 4.029 0.096 1
1 155 . 18 1 1 A 20 20 ARG N N 20 118.851 118.449 0.402 1
1 156 . 18 1 1 A 21 21 LEU H H 21 7.954 7.729 0.225 1
1 157 . 18 1 1 A 21 21 LEU HA H 21 4.127 3.829 0.298 1
1 167 . 18 1 1 A 21 21 LEU N N 21 121.258 122.611 -1.353 1
1 168 . 18 1 1 A 22 22 GLU H H 22 8.169 8.074 0.095 1
1 169 . 18 1 1 A 22 22 GLU HA H 22 3.981 3.983 -0.002 1
1 174 . 18 1 1 A 22 22 GLU N N 22 119.093 118.358 0.735 1
1 175 . 18 1 1 A 23 23 GLN H H 23 8.015 8.290 -0.275 1
1 176 . 18 1 1 A 23 23 GLN HA H 23 4.174 4.042 0.132 1
1 183 . 18 1 1 A 23 23 GLN N N 23 119.335 120.067 -0.732 1
1 185 . 18 1 1 A 24 24 MET H H 24 8.209 8.415 -0.206 1
1 186 . 18 1 1 A 24 24 MET HA H 24 4.005 4.179 -0.174 1
1 194 . 18 1 1 A 24 24 MET N N 24 119.750 118.398 1.352 1
1 195 . 18 1 1 A 25 25 LYS H H 25 8.387 7.551 0.836 1
1 196 . 18 1 1 A 25 25 LYS HA H 25 3.797 3.933 -0.136 1
1 205 . 18 1 1 A 25 25 LYS N N 25 119.097 120.487 -1.390 1
1 206 . 18 1 1 A 26 26 GLU H H 26 7.936 8.165 -0.229 1
1 207 . 18 1 1 A 26 26 GLU HA H 26 3.989 4.016 -0.027 1
1 212 . 18 1 1 A 26 26 GLU N N 26 117.895 118.424 -0.529 1
1 213 . 18 1 1 A 27 27 LYS H H 27 7.608 8.205 -0.597 1
1 214 . 18 1 1 A 27 27 LYS HA H 27 4.027 4.066 -0.039 1
1 223 . 18 1 1 A 27 27 LYS N N 27 117.438 118.542 -1.104 1
1 224 . 18 1 1 A 28 28 VAL H H 28 8.285 8.296 -0.011 1
1 225 . 18 1 1 A 28 28 VAL HA H 28 3.813 3.693 0.120 1
1 233 . 18 1 1 A 28 28 VAL N N 28 118.134 119.452 -1.318 1
1 234 . 18 1 1 A 29 29 MET H H 29 8.030 7.910 0.120 1
1 235 . 18 1 1 A 29 29 MET HA H 29 4.422 4.726 -0.304 1
1 243 . 18 1 1 A 29 29 MET N N 29 112.840 117.501 -4.661 1
1 244 . 18 1 1 A 30 30 LYS H H 30 7.320 7.814 -0.494 1
1 245 . 18 1 1 A 30 30 LYS HA H 30 4.304 4.475 -0.171 1
1 254 . 18 1 1 A 30 30 LYS N N 30 116.038 118.519 -2.481 1
1 255 . 18 1 1 A 31 31 ASP H H 31 7.495 7.551 -0.056 1
1 256 . 18 1 1 A 31 31 ASP HA H 31 4.594 4.365 0.229 1
1 259 . 18 1 1 A 31 31 ASP N N 31 122.944 120.615 2.329 1
1 260 . 18 1 1 A 32 32 GLN H H 32 9.076 8.829 0.247 1
1 261 . 18 1 1 A 32 32 GLN HA H 32 4.029 4.060 -0.031 1
1 268 . 18 1 1 A 32 32 GLN N N 32 126.326 125.814 0.512 1
1 270 . 18 1 1 A 33 33 ASP H H 33 8.456 7.843 0.613 1
1 271 . 18 1 1 A 33 33 ASP HA H 33 4.671 4.597 0.074 1
1 274 . 18 1 1 A 33 33 ASP N N 33 122.586 120.339 2.247 1
1 275 . 18 1 1 A 34 34 VAL H H 34 9.317 8.610 0.707 1
1 276 . 18 1 1 A 34 34 VAL HA H 34 3.521 3.607 -0.086 1
1 284 . 18 1 1 A 34 34 VAL N N 34 124.689 120.483 4.206 1
1 285 . 18 1 1 A 35 35 GLN H H 35 8.633 8.069 0.564 1
1 286 . 18 1 1 A 35 35 GLN HA H 35 3.901 4.085 -0.184 1
1 293 . 18 1 1 A 35 35 GLN N N 35 117.209 118.405 -1.196 1
1 295 . 18 1 1 A 36 36 ALA H H 36 7.935 7.734 0.201 1
1 296 . 18 1 1 A 36 36 ALA HA H 36 4.211 4.137 0.074 1
1 300 . 18 1 1 A 36 36 ALA N N 36 121.503 122.679 -1.176 1
1 301 . 18 1 1 A 37 37 PHE H H 37 7.862 8.321 -0.459 1
1 302 . 18 1 1 A 37 37 PHE HA H 37 4.357 4.437 -0.080 1
1 310 . 18 1 1 A 37 37 PHE N N 37 121.040 120.089 0.951 1
1 311 . 18 1 1 A 38 38 LEU H H 38 8.848 8.654 0.194 1
1 312 . 18 1 1 A 38 38 LEU HA H 38 3.581 3.630 -0.049 1
1 322 . 18 1 1 A 38 38 LEU N N 38 120.561 119.460 1.101 1
1 323 . 18 1 1 A 39 39 LYS H H 39 7.885 8.162 -0.277 1
1 324 . 18 1 1 A 39 39 LYS HA H 39 4.142 4.194 -0.052 1
1 333 . 18 1 1 A 39 39 LYS N N 39 118.613 119.081 -0.468 1
1 334 . 18 1 1 A 40 40 GLU H H 40 8.134 7.823 0.311 1
1 335 . 18 1 1 A 40 40 GLU HA H 40 4.054 4.062 -0.008 1
1 340 . 18 1 1 A 40 40 GLU N N 40 119.387 119.812 -0.425 1
1 341 . 18 1 1 A 41 41 ASN H H 41 7.089 7.512 -0.423 1
1 342 . 18 1 1 A 41 41 ASN HA H 41 4.933 5.004 -0.071 1
1 347 . 18 1 1 A 41 41 ASN N N 41 114.032 115.675 -1.643 1
1 349 . 18 1 1 A 42 42 GLU H H 42 7.086 8.167 -1.081 1
1 350 . 18 1 1 A 42 42 GLU HA H 42 3.957 3.950 0.007 1
1 355 . 18 1 1 A 42 42 GLU N N 42 121.023 119.173 1.850 1
1 356 . 18 1 1 A 43 43 GLU H H 43 8.648 7.715 0.933 1
1 357 . 18 1 1 A 43 43 GLU HA H 43 4.207 4.077 0.130 1
1 362 . 18 1 1 A 43 43 GLU N N 43 115.965 120.429 -4.464 1
1 363 . 18 1 1 A 44 44 VAL H H 44 7.526 7.451 0.075 1
1 364 . 18 1 1 A 44 44 VAL HA H 44 4.445 4.158 0.287 1
1 372 . 18 1 1 A 44 44 VAL N N 44 110.987 116.795 -5.808 1
1 373 . 18 1 1 A 45 45 ILE H H 45 7.246 7.734 -0.488 1
1 374 . 18 1 1 A 45 45 ILE HA H 45 4.531 4.051 0.480 1
1 384 . 18 1 1 A 45 45 ILE N N 45 119.815 119.142 0.673 1
1 385 . 18 1 1 A 46 46 ASP H H 46 7.351 8.449 -1.098 1
1 386 . 18 1 1 A 46 46 ASP HA H 46 4.958 4.949 0.009 1
1 389 . 18 1 1 A 46 46 ASP N N 46 124.659 125.289 -0.630 1
1 390 . 18 1 1 A 47 47 GLN H H 47 8.504 8.953 -0.449 1
1 391 . 18 1 1 A 47 47 GLN HA H 47 3.949 3.926 0.023 1
1 398 . 18 1 1 A 47 47 GLN N N 47 117.654 119.199 -1.545 1
1 400 . 18 1 1 A 48 48 LYS H H 48 8.030 7.746 0.284 1
1 401 . 18 1 1 A 48 48 LYS HA H 48 4.132 4.024 0.108 1
1 410 . 18 1 1 A 48 48 LYS N N 48 119.335 119.512 -0.177 1
1 411 . 18 1 1 A 49 49 MET H H 49 8.250 8.170 0.080 1
1 412 . 18 1 1 A 49 49 MET HA H 49 4.132 4.219 -0.087 1
1 420 . 18 1 1 A 49 49 MET N N 49 120.061 118.941 1.120 1
1 421 . 18 1 1 A 50 50 ILE H H 50 7.726 7.801 -0.075 1
1 422 . 18 1 1 A 50 50 ILE HA H 50 3.379 3.645 -0.266 1
1 432 . 18 1 1 A 50 50 ILE N N 50 120.912 119.874 1.038 1
1 433 . 18 1 1 A 51 51 GLU H H 51 8.044 8.673 -0.629 1
1 434 . 18 1 1 A 51 51 GLU HA H 51 3.906 3.919 -0.013 1
1 439 . 18 1 1 A 51 51 GLU N N 51 117.413 118.736 -1.323 1
1 440 . 18 1 1 A 52 52 LYS H H 52 8.249 8.271 -0.022 1
1 441 . 18 1 1 A 52 52 LYS HA H 52 4.318 4.086 0.232 1
1 450 . 18 1 1 A 52 52 LYS N N 52 117.183 119.644 -2.461 1
1 451 . 18 1 1 A 53 53 SER H H 53 7.664 7.991 -0.327 1
1 452 . 18 1 1 A 53 53 SER HA H 53 5.067 4.814 0.253 1
1 455 . 18 1 1 A 53 53 SER N N 53 113.070 115.235 -2.165 1
1 456 . 18 1 1 A 54 54 LEU H H 54 7.375 7.325 0.050 1
1 457 . 18 1 1 A 54 54 LEU HA H 54 3.980 4.001 -0.021 1
1 467 . 18 1 1 A 54 54 LEU N N 54 123.828 122.857 0.971 1
1 468 . 18 1 1 A 55 55 ASN H H 55 8.705 8.829 -0.124 1
1 469 . 18 1 1 A 55 55 ASN HA H 55 4.434 4.469 -0.035 1
1 474 . 18 1 1 A 55 55 ASN N N 55 114.672 115.858 -1.186 1
1 476 . 18 1 1 A 56 56 LYS H H 56 7.685 7.834 -0.149 1
1 477 . 18 1 1 A 56 56 LYS HA H 56 4.289 4.078 0.211 1
1 486 . 18 1 1 A 56 56 LYS N N 56 121.417 119.779 1.638 1
1 487 . 18 1 1 A 57 57 LEU H H 57 8.120 8.598 -0.478 1
1 488 . 18 1 1 A 57 57 LEU HA H 57 3.948 4.004 -0.056 1
1 498 . 18 1 1 A 57 57 LEU N N 57 118.616 119.510 -0.894 1
1 499 . 18 1 1 A 58 58 TYR H H 58 8.659 8.537 0.122 1
1 500 . 18 1 1 A 58 58 TYR HA H 58 4.124 4.087 0.037 1
1 507 . 18 1 1 A 58 58 TYR N N 58 119.812 119.041 0.771 1
1 508 . 18 1 1 A 59 59 GLU H H 59 7.999 8.435 -0.436 1
1 509 . 18 1 1 A 59 59 GLU HA H 59 3.945 3.973 -0.028 1
1 514 . 18 1 1 A 59 59 GLU N N 59 118.851 119.545 -0.694 1
1 515 . 18 1 1 A 60 60 TYR H H 60 8.132 8.306 -0.174 1
1 516 . 18 1 1 A 60 60 TYR HA H 60 4.056 4.116 -0.060 1
1 523 . 18 1 1 A 60 60 TYR N N 60 118.616 120.398 -1.782 1
1 524 . 18 1 1 A 61 61 ILE H H 61 7.985 7.803 0.182 1
1 525 . 18 1 1 A 61 61 ILE HA H 61 3.638 3.387 0.251 1
1 535 . 18 1 1 A 61 61 ILE N N 61 115.242 118.299 -3.057 1
1 536 . 18 1 1 A 62 62 GLU H H 62 7.409 6.975 0.434 1
1 537 . 18 1 1 A 62 62 GLU HA H 62 4.056 4.146 -0.090 1
1 542 . 18 1 1 A 62 62 GLU N N 62 118.370 119.501 -1.131 1
1 543 . 18 1 1 A 63 63 GLN H H 63 7.320 7.484 -0.164 1
1 544 . 18 1 1 A 63 63 GLN HA H 63 4.583 4.308 0.275 1
1 551 . 18 1 1 A 63 63 GLN N N 63 118.398 118.651 -0.253 1
1 553 . 18 1 1 A 64 64 SER H H 64 8.134 9.018 -0.884 1
1 554 . 18 1 1 A 64 64 SER HA H 64 4.122 4.102 0.020 1
1 557 . 18 1 1 A 64 64 SER N N 64 115.490 116.167 -0.677 1
1 558 . 18 1 1 A 65 65 LYS H H 65 8.663 7.986 0.677 1
1 559 . 18 1 1 A 65 65 LYS HA H 65 4.132 3.958 0.174 1
1 562 . 18 1 1 A 65 65 LYS N N 65 122.473 119.425 3.048 1
1 563 . 18 1 1 A 66 66 ASN H H 66 8.010 7.849 0.161 1
1 564 . 18 1 1 A 66 66 ASN HA H 66 3.809 4.861 -1.052 1
1 569 . 18 1 1 A 66 66 ASN N N 66 117.420 114.766 2.654 1
1 571 . 18 1 1 A 67 67 CYS H H 67 7.649 8.149 -0.500 1
1 572 . 18 1 1 A 67 67 CYS HA H 67 5.108 4.661 0.447 1
1 575 . 18 1 1 A 67 67 CYS N N 67 116.684 115.518 1.166 1
1 576 . 18 1 1 A 68 68 SER H H 68 8.891 9.010 -0.119 1
1 577 . 18 1 1 A 68 68 SER HA H 68 4.379 4.193 0.186 1
1 580 . 18 1 1 A 68 68 SER N N 68 115.241 117.619 -2.378 1
1 581 . 18 1 1 A 69 69 TYR H H 69 9.864 8.652 1.212 1
1 582 . 18 1 1 A 69 69 TYR HA H 69 4.569 4.142 0.427 1
1 589 . 18 1 1 A 69 69 TYR N N 69 124.277 122.137 2.140 1
1 590 . 18 1 1 A 70 70 CYS H H 70 7.841 8.083 -0.242 1
1 591 . 18 1 1 A 70 70 CYS HA H 70 4.920 4.721 0.199 1
1 594 . 18 1 1 A 70 70 CYS N N 70 115.300 113.869 1.431 1
1 595 . 18 1 1 A 71 71 SER H H 71 8.032 7.999 0.033 1
1 596 . 18 1 1 A 71 71 SER HA H 71 4.673 4.672 0.001 1
1 599 . 18 1 1 A 71 71 SER N N 71 119.327 117.507 1.820 1
1 600 . 18 1 1 A 72 72 GLU H H 72 8.701 8.884 -0.183 1
1 601 . 18 1 1 A 72 72 GLU HA H 72 4.459 4.209 0.250 1
1 606 . 18 1 1 A 72 72 GLU N N 72 122.947 125.225 -2.278 1
1 607 . 18 1 1 A 73 73 ASP H H 73 8.053 7.773 0.280 1
1 608 . 18 1 1 A 73 73 ASP HA H 73 4.529 4.695 -0.166 1
1 611 . 18 1 1 A 73 73 ASP N N 73 120.929 120.839 0.090 1
1 612 . 18 1 1 A 74 74 GLU H H 74 8.754 9.228 -0.474 1
1 613 . 18 1 1 A 74 74 GLU HA H 74 4.251 4.249 0.002 1
1 618 . 18 1 1 A 74 74 GLU N N 74 122.241 126.552 -4.311 1
1 619 . 18 1 1 A 75 75 ASN H H 75 8.564 7.798 0.766 1
1 620 . 18 1 1 A 75 75 ASN HA H 75 4.803 4.961 -0.158 1
1 625 . 18 1 1 A 75 75 ASN N N 75 117.681 115.552 2.129 1
1 627 . 18 1 1 A 76 76 CYS H H 76 7.923 7.527 0.396 1
1 628 . 18 1 1 A 76 76 CYS HA H 76 4.377 4.417 -0.040 1
1 631 . 18 1 1 A 76 76 CYS N N 76 120.055 119.677 0.378 1
1 632 . 18 1 1 A 77 77 ASN H H 77 8.717 8.841 -0.124 1
1 633 . 18 1 1 A 77 77 ASN HA H 77 4.759 5.137 -0.378 1
1 638 . 18 1 1 A 77 77 ASN N N 77 122.469 123.830 -1.361 1
1 640 . 18 1 1 A 78 78 ASN H H 78 8.564 8.570 -0.006 1
1 641 . 18 1 1 A 78 78 ASN HA H 78 4.772 5.209 -0.437 1
1 646 . 18 1 1 A 78 78 ASN N N 78 121.986 123.121 -1.135 1
1 648 . 18 1 1 A 79 79 LEU H H 79 8.160 8.521 -0.361 1
1 649 . 18 1 1 A 79 79 LEU HA H 79 4.282 4.381 -0.099 1
1 659 . 18 1 1 A 79 79 LEU N N 79 122.221 123.501 -1.280 1
1 660 . 18 1 1 A 80 80 LEU H H 80 8.034 7.328 0.706 1
1 661 . 18 1 1 A 80 80 LEU HA H 80 4.391 4.120 0.271 1
1 671 . 18 1 1 A 80 80 LEU N N 80 121.024 118.955 2.069 1
1 672 . 18 1 1 A 81 81 GLU H H 81 8.105 8.850 -0.745 1
1 673 . 18 1 1 A 81 81 GLU HA H 81 4.298 4.634 -0.336 1
1 678 . 18 1 1 A 81 81 GLU N N 81 122.466 125.820 -3.354 1
1 679 . 18 1 1 A 82 82 GLY H H 82 8.274 8.877 -0.603 1
1 680 . 18 1 1 A 82 82 GLY HA2 H 82 3.852 3.701 0.151 1
1 681 . 18 1 1 A 82 82 GLY HA3 H 82 3.988 3.752 0.236 1
1 682 . 18 1 1 A 82 82 GLY N N 82 112.347 114.553 -2.206 1
1 683 . 18 1 1 A 83 83 TYR H H 83 7.850 8.060 -0.210 1
1 684 . 18 1 1 A 83 83 TYR HA H 83 5.113 5.448 -0.335 1
1 691 . 18 1 1 A 83 83 TYR N N 83 118.873 119.146 -0.273 1
1 692 . 18 1 1 A 84 84 HIS H H 84 9.473 8.891 0.582 1
1 693 . 18 1 1 A 84 84 HIS HA H 84 5.117 4.824 0.293 1
1 698 . 18 1 1 A 84 84 HIS N N 84 120.297 118.854 1.443 1
1 699 . 18 1 1 A 85 85 PRO HA H 85 4.678 3.905 0.773 1
1 706 . 18 1 1 A 86 86 LYS H H 86 9.027 9.252 -0.225 1
1 707 . 18 1 1 A 86 86 LYS HA H 86 4.709 4.929 -0.220 1
1 716 . 18 1 1 A 86 86 LYS N N 86 119.573 122.336 -2.763 1
1 717 . 18 1 1 A 87 87 LEU H H 87 7.785 7.862 -0.077 1
1 718 . 18 1 1 A 87 87 LEU HA H 87 4.414 3.875 0.539 1
1 727 . 18 1 1 A 87 87 LEU N N 87 123.673 125.604 -1.931 1
1 728 . 18 1 1 A 88 88 VAL H H 88 8.443 9.027 -0.584 1
1 729 . 18 1 1 A 88 88 VAL HA H 88 4.616 4.960 -0.344 1
1 737 . 18 1 1 A 88 88 VAL N N 88 115.720 118.311 -2.591 1
1 738 . 18 1 1 A 89 89 VAL H H 89 8.621 9.226 -0.605 1
1 739 . 18 1 1 A 89 89 VAL HA H 89 4.471 4.879 -0.408 1
1 747 . 18 1 1 A 89 89 VAL N N 89 122.477 124.681 -2.204 1
1 748 . 18 1 1 A 90 90 ASN H H 90 8.721 9.246 -0.525 1
1 749 . 18 1 1 A 90 90 ASN HA H 90 5.020 5.098 -0.078 1
1 754 . 18 1 1 A 90 90 ASN N N 90 127.524 127.512 0.012 1
1 756 . 18 1 1 A 91 91 GLY H H 91 9.006 8.895 0.111 1
1 757 . 18 1 1 A 91 91 GLY HA2 H 91 3.639 3.875 -0.236 1
1 758 . 18 1 1 A 91 91 GLY HA3 H 91 3.993 3.877 0.116 1
1 759 . 18 1 1 A 91 91 GLY N N 91 115.517 115.915 -0.398 1
1 760 . 18 1 1 A 92 92 ARG H H 92 8.675 8.611 0.064 1
1 761 . 18 1 1 A 92 92 ARG HA H 92 4.530 4.436 0.094 1
1 768 . 18 1 1 A 92 92 ARG N N 92 125.836 126.707 -0.871 1
1 769 . 18 1 1 A 93 93 SER H H 93 7.875 7.544 0.331 1
1 770 . 18 1 1 A 93 93 SER HA H 93 4.707 5.090 -0.383 1
1 773 . 18 1 1 A 93 93 SER N N 93 114.996 116.245 -1.249 1
1 774 . 18 1 1 A 94 94 ILE H H 94 7.943 9.061 -1.118 1
1 775 . 18 1 1 A 94 94 ILE HA H 94 4.694 5.050 -0.356 1
1 785 . 18 1 1 A 94 94 ILE N N 94 123.668 125.871 -2.203 1
1 786 . 18 1 1 A 95 95 ASP H H 95 8.975 9.388 -0.413 1
1 787 . 18 1 1 A 95 95 ASP HA H 95 4.995 5.456 -0.461 1
1 790 . 18 1 1 A 95 95 ASP N N 95 128.002 127.860 0.142 1
1 791 . 18 1 1 A 96 96 ILE H H 96 8.672 8.571 0.101 1
1 792 . 18 1 1 A 96 96 ILE HA H 96 4.669 4.886 -0.217 1
1 802 . 18 1 1 A 96 96 ILE N N 96 118.150 120.931 -2.781 1
1 803 . 18 1 1 A 97 97 GLU H H 97 8.990 8.810 0.180 1
1 804 . 18 1 1 A 97 97 GLU HA H 97 4.604 5.094 -0.490 1
1 809 . 18 1 1 A 97 97 GLU N N 97 128.072 126.126 1.946 1
1 810 . 18 1 1 A 98 98 TYR H H 98 8.544 8.952 -0.408 1
1 811 . 18 1 1 A 98 98 TYR HA H 98 5.662 5.658 0.004 1
1 818 . 18 1 1 A 98 98 TYR N N 98 118.130 119.616 -1.486 1
1 819 . 18 1 1 A 99 99 TYR H H 99 9.389 9.132 0.257 1
1 820 . 18 1 1 A 99 99 TYR HA H 99 5.258 5.591 -0.333 1
1 827 . 18 1 1 A 99 99 TYR N N 99 121.021 118.307 2.714 1
1 828 . 18 1 1 A 100 100 GLU H H 100 8.942 8.668 0.274 1
1 829 . 18 1 1 A 100 100 GLU HA H 100 3.495 4.304 -0.809 1
1 834 . 18 1 1 A 100 100 GLU N N 100 122.954 119.960 2.994 1
1 835 . 18 1 1 A 101 101 CYS H H 101 7.742 8.893 -1.151 1
1 836 . 18 1 1 A 101 101 CYS HA H 101 3.342 4.187 -0.845 1
1 839 . 18 1 1 A 101 101 CYS N N 101 125.649 124.045 1.604 1
1 840 . 18 1 1 A 102 102 PRO HA H 102 4.415 4.440 -0.025 1
1 847 . 18 1 1 A 103 103 VAL H H 103 8.493 7.333 1.160 1
1 848 . 18 1 1 A 103 103 VAL HA H 103 3.990 3.928 0.062 1
1 856 . 18 1 1 A 103 103 VAL N N 103 121.026 116.194 4.832 1
1 857 . 18 1 1 A 104 104 LYS H H 104 7.585 7.849 -0.264 1
1 858 . 18 1 1 A 104 104 LYS HA H 104 3.972 4.067 -0.095 1
1 867 . 18 1 1 A 104 104 LYS N N 104 122.941 121.011 1.930 1
1 868 . 18 1 1 A 105 105 ARG H H 105 7.848 7.513 0.335 1
1 869 . 18 1 1 A 105 105 ARG HA H 105 4.276 4.531 -0.255 1
1 876 . 18 1 1 A 105 105 ARG N N 105 121.986 117.133 4.853 1
1 6 . 19 1 1 A 2 2 GLU HA H 2 4.671 4.789 -0.118 1
1 11 . 19 1 1 A 3 3 PRO HA H 3 4.473 4.455 0.018 1
1 18 . 19 1 1 A 4 4 ILE H H 4 8.270 8.281 -0.011 1
1 19 . 19 1 1 A 4 4 ILE HA H 4 4.156 4.395 -0.239 1
1 29 . 19 1 1 A 4 4 ILE N N 4 121.501 117.806 3.695 1
1 30 . 19 1 1 A 5 5 GLY H H 5 8.516 8.449 0.067 1
1 31 . 19 1 1 A 5 5 GLY HA2 H 5 3.952 4.075 -0.123 1
1 32 . 19 1 1 A 5 5 GLY HA3 H 5 3.992 4.075 -0.083 1
1 33 . 19 1 1 A 5 5 GLY N N 5 112.831 109.245 3.586 1
1 34 . 19 1 1 A 6 6 ARG H H 6 8.197 8.553 -0.356 1
1 35 . 19 1 1 A 6 6 ARG HA H 6 4.383 4.842 -0.459 1
1 42 . 19 1 1 A 6 6 ARG N N 6 121.014 123.049 -2.035 1
1 43 . 19 1 1 A 7 7 SER H H 7 8.400 8.820 -0.420 1
1 44 . 19 1 1 A 7 7 SER HA H 7 4.472 4.623 -0.151 1
1 47 . 19 1 1 A 7 7 SER N N 7 116.921 122.654 -5.733 1
1 48 . 19 1 1 A 8 8 LEU H H 8 8.376 8.369 0.007 1
1 49 . 19 1 1 A 8 8 LEU HA H 8 4.390 4.560 -0.170 1
1 59 . 19 1 1 A 8 8 LEU N N 8 124.394 128.799 -4.405 1
1 60 . 19 1 1 A 9 9 GLN H H 9 8.292 8.421 -0.129 1
1 61 . 19 1 1 A 9 9 GLN HA H 9 4.323 4.632 -0.309 1
1 68 . 19 1 1 A 9 9 GLN N N 9 120.593 123.959 -3.366 1
1 70 . 19 1 1 A 10 10 GLY H H 10 8.417 7.923 0.494 1
1 71 . 19 1 1 A 10 10 GLY HA2 H 10 3.992 4.086 -0.094 1
1 72 . 19 1 1 A 10 10 GLY HA3 H 10 3.992 4.086 -0.094 1
1 73 . 19 1 1 A 10 10 GLY N N 10 110.179 106.478 3.701 1
1 74 . 19 1 1 A 11 11 VAL H H 11 8.040 8.265 -0.225 1
1 75 . 19 1 1 A 11 11 VAL HA H 11 4.208 4.264 -0.056 1
1 83 . 19 1 1 A 11 11 VAL N N 11 119.334 119.091 0.243 1
1 84 . 19 1 1 A 12 12 THR H H 12 8.210 8.074 0.136 1
1 85 . 19 1 1 A 12 12 THR HA H 12 4.285 4.567 -0.282 1
1 90 . 19 1 1 A 12 12 THR N N 12 117.160 119.098 -1.938 1
1 91 . 19 1 1 A 13 13 GLY H H 13 8.388 8.062 0.326 1
1 92 . 19 1 1 A 13 13 GLY HA2 H 13 3.988 4.183 -0.195 1
1 93 . 19 1 1 A 13 13 GLY HA3 H 13 4.027 4.184 -0.157 1
1 94 . 19 1 1 A 13 13 GLY N N 13 111.151 112.549 -1.398 1
1 95 . 19 1 1 A 14 14 ARG H H 14 8.169 8.415 -0.246 1
1 96 . 19 1 1 A 14 14 ARG HA H 14 4.668 4.789 -0.121 1
1 103 . 19 1 1 A 14 14 ARG N N 14 121.499 119.427 2.072 1
1 104 . 19 1 1 A 15 15 PRO HA H 15 4.426 4.629 -0.203 1
1 111 . 19 1 1 A 16 16 ASP H H 16 8.475 8.741 -0.266 1
1 112 . 19 1 1 A 16 16 ASP HA H 16 4.556 4.310 0.246 1
1 115 . 19 1 1 A 16 16 ASP N N 16 119.586 123.017 -3.431 1
1 116 . 19 1 1 A 17 17 PHE H H 17 8.179 8.459 -0.280 1
1 117 . 19 1 1 A 17 17 PHE HA H 17 4.366 4.057 0.309 1
1 125 . 19 1 1 A 17 17 PHE N N 17 121.747 121.659 0.088 1
1 126 . 19 1 1 A 18 18 GLN H H 18 8.200 8.522 -0.322 1
1 127 . 19 1 1 A 18 18 GLN HA H 18 3.998 3.925 0.073 1
1 134 . 19 1 1 A 18 18 GLN N N 18 119.816 117.631 2.185 1
1 136 . 19 1 1 A 19 19 LYS H H 19 7.986 7.403 0.583 1
1 137 . 19 1 1 A 19 19 LYS HA H 19 4.126 4.118 0.008 1
1 146 . 19 1 1 A 19 19 LYS N N 19 120.081 119.269 0.812 1
1 147 . 19 1 1 A 20 20 ARG H H 20 7.918 7.620 0.298 1
1 148 . 19 1 1 A 20 20 ARG HA H 20 4.125 4.051 0.074 1
1 155 . 19 1 1 A 20 20 ARG N N 20 118.851 119.595 -0.744 1
1 156 . 19 1 1 A 21 21 LEU H H 21 7.954 7.965 -0.011 1
1 157 . 19 1 1 A 21 21 LEU HA H 21 4.127 3.805 0.322 1
1 167 . 19 1 1 A 21 21 LEU N N 21 121.258 120.854 0.404 1
1 168 . 19 1 1 A 22 22 GLU H H 22 8.169 8.546 -0.377 1
1 169 . 19 1 1 A 22 22 GLU HA H 22 3.981 3.977 0.004 1
1 174 . 19 1 1 A 22 22 GLU N N 22 119.093 118.347 0.746 1
1 175 . 19 1 1 A 23 23 GLN H H 23 8.015 7.684 0.331 1
1 176 . 19 1 1 A 23 23 GLN HA H 23 4.174 4.031 0.143 1
1 183 . 19 1 1 A 23 23 GLN N N 23 119.335 119.943 -0.608 1
1 185 . 19 1 1 A 24 24 MET H H 24 8.209 8.647 -0.438 1
1 186 . 19 1 1 A 24 24 MET HA H 24 4.005 4.081 -0.076 1
1 194 . 19 1 1 A 24 24 MET N N 24 119.750 118.400 1.350 1
1 195 . 19 1 1 A 25 25 LYS H H 25 8.387 8.104 0.283 1
1 196 . 19 1 1 A 25 25 LYS HA H 25 3.797 3.922 -0.125 1
1 205 . 19 1 1 A 25 25 LYS N N 25 119.097 120.247 -1.150 1
1 206 . 19 1 1 A 26 26 GLU H H 26 7.936 7.913 0.023 1
1 207 . 19 1 1 A 26 26 GLU HA H 26 3.989 4.046 -0.057 1
1 212 . 19 1 1 A 26 26 GLU N N 26 117.895 118.548 -0.653 1
1 213 . 19 1 1 A 27 27 LYS H H 27 7.608 7.879 -0.271 1
1 214 . 19 1 1 A 27 27 LYS HA H 27 4.027 4.070 -0.043 1
1 223 . 19 1 1 A 27 27 LYS N N 27 117.438 118.593 -1.155 1
1 224 . 19 1 1 A 28 28 VAL H H 28 8.285 8.323 -0.038 1
1 225 . 19 1 1 A 28 28 VAL HA H 28 3.813 3.657 0.156 1
1 233 . 19 1 1 A 28 28 VAL N N 28 118.134 119.655 -1.521 1
1 234 . 19 1 1 A 29 29 MET H H 29 8.030 8.211 -0.181 1
1 235 . 19 1 1 A 29 29 MET HA H 29 4.422 4.329 0.093 1
1 243 . 19 1 1 A 29 29 MET N N 29 112.840 118.549 -5.709 1
1 244 . 19 1 1 A 30 30 LYS H H 30 7.320 7.577 -0.257 1
1 245 . 19 1 1 A 30 30 LYS HA H 30 4.304 4.422 -0.118 1
1 254 . 19 1 1 A 30 30 LYS N N 30 116.038 117.306 -1.268 1
1 255 . 19 1 1 A 31 31 ASP H H 31 7.495 7.496 -0.001 1
1 256 . 19 1 1 A 31 31 ASP HA H 31 4.594 4.757 -0.163 1
1 259 . 19 1 1 A 31 31 ASP N N 31 122.944 122.038 0.906 1
1 260 . 19 1 1 A 32 32 GLN H H 32 9.076 8.845 0.231 1
1 261 . 19 1 1 A 32 32 GLN HA H 32 4.029 4.108 -0.079 1
1 268 . 19 1 1 A 32 32 GLN N N 32 126.326 125.581 0.745 1
1 270 . 19 1 1 A 33 33 ASP H H 33 8.456 7.808 0.648 1
1 271 . 19 1 1 A 33 33 ASP HA H 33 4.671 4.623 0.048 1
1 274 . 19 1 1 A 33 33 ASP N N 33 122.586 120.410 2.176 1
1 275 . 19 1 1 A 34 34 VAL H H 34 9.317 8.093 1.224 1
1 276 . 19 1 1 A 34 34 VAL HA H 34 3.521 3.541 -0.020 1
1 284 . 19 1 1 A 34 34 VAL N N 34 124.689 120.602 4.087 1
1 285 . 19 1 1 A 35 35 GLN H H 35 8.633 8.116 0.517 1
1 286 . 19 1 1 A 35 35 GLN HA H 35 3.901 4.104 -0.203 1
1 293 . 19 1 1 A 35 35 GLN N N 35 117.209 117.630 -0.421 1
1 295 . 19 1 1 A 36 36 ALA H H 36 7.935 7.897 0.038 1
1 296 . 19 1 1 A 36 36 ALA HA H 36 4.211 4.192 0.019 1
1 300 . 19 1 1 A 36 36 ALA N N 36 121.503 122.688 -1.185 1
1 301 . 19 1 1 A 37 37 PHE H H 37 7.862 7.818 0.044 1
1 302 . 19 1 1 A 37 37 PHE HA H 37 4.357 4.312 0.045 1
1 310 . 19 1 1 A 37 37 PHE N N 37 121.040 119.477 1.563 1
1 311 . 19 1 1 A 38 38 LEU H H 38 8.848 8.740 0.108 1
1 312 . 19 1 1 A 38 38 LEU HA H 38 3.581 3.656 -0.075 1
1 322 . 19 1 1 A 38 38 LEU N N 38 120.561 119.375 1.186 1
1 323 . 19 1 1 A 39 39 LYS H H 39 7.885 8.062 -0.177 1
1 324 . 19 1 1 A 39 39 LYS HA H 39 4.142 4.086 0.056 1
1 333 . 19 1 1 A 39 39 LYS N N 39 118.613 119.147 -0.534 1
1 334 . 19 1 1 A 40 40 GLU H H 40 8.134 7.528 0.606 1
1 335 . 19 1 1 A 40 40 GLU HA H 40 4.054 4.049 0.005 1
1 340 . 19 1 1 A 40 40 GLU N N 40 119.387 119.903 -0.516 1
1 341 . 19 1 1 A 41 41 ASN H H 41 7.089 7.540 -0.451 1
1 342 . 19 1 1 A 41 41 ASN HA H 41 4.933 5.000 -0.067 1
1 347 . 19 1 1 A 41 41 ASN N N 41 114.032 115.768 -1.736 1
1 349 . 19 1 1 A 42 42 GLU H H 42 7.086 8.242 -1.156 1
1 350 . 19 1 1 A 42 42 GLU HA H 42 3.957 4.023 -0.066 1
1 355 . 19 1 1 A 42 42 GLU N N 42 121.023 118.971 2.052 1
1 356 . 19 1 1 A 43 43 GLU H H 43 8.648 7.777 0.871 1
1 357 . 19 1 1 A 43 43 GLU HA H 43 4.207 4.068 0.139 1
1 362 . 19 1 1 A 43 43 GLU N N 43 115.965 120.032 -4.067 1
1 363 . 19 1 1 A 44 44 VAL H H 44 7.526 7.278 0.248 1
1 364 . 19 1 1 A 44 44 VAL HA H 44 4.445 3.990 0.455 1
1 372 . 19 1 1 A 44 44 VAL N N 44 110.987 117.526 -6.539 1
1 373 . 19 1 1 A 45 45 ILE H H 45 7.246 7.809 -0.563 1
1 374 . 19 1 1 A 45 45 ILE HA H 45 4.531 3.960 0.571 1
1 384 . 19 1 1 A 45 45 ILE N N 45 119.815 119.587 0.228 1
1 385 . 19 1 1 A 46 46 ASP H H 46 7.351 8.227 -0.876 1
1 386 . 19 1 1 A 46 46 ASP HA H 46 4.958 5.039 -0.081 1
1 389 . 19 1 1 A 46 46 ASP N N 46 124.659 126.063 -1.404 1
1 390 . 19 1 1 A 47 47 GLN H H 47 8.504 8.973 -0.469 1
1 391 . 19 1 1 A 47 47 GLN HA H 47 3.949 3.916 0.033 1
1 398 . 19 1 1 A 47 47 GLN N N 47 117.654 123.863 -6.209 1
1 400 . 19 1 1 A 48 48 LYS H H 48 8.030 8.127 -0.097 1
1 401 . 19 1 1 A 48 48 LYS HA H 48 4.132 4.035 0.097 1
1 410 . 19 1 1 A 48 48 LYS N N 48 119.335 119.520 -0.185 1
1 411 . 19 1 1 A 49 49 MET H H 49 8.250 8.051 0.199 1
1 412 . 19 1 1 A 49 49 MET HA H 49 4.132 4.224 -0.092 1
1 420 . 19 1 1 A 49 49 MET N N 49 120.061 118.935 1.126 1
1 421 . 19 1 1 A 50 50 ILE H H 50 7.726 7.852 -0.126 1
1 422 . 19 1 1 A 50 50 ILE HA H 50 3.379 3.633 -0.254 1
1 432 . 19 1 1 A 50 50 ILE N N 50 120.912 119.712 1.200 1
1 433 . 19 1 1 A 51 51 GLU H H 51 8.044 7.972 0.072 1
1 434 . 19 1 1 A 51 51 GLU HA H 51 3.906 4.062 -0.156 1
1 439 . 19 1 1 A 51 51 GLU N N 51 117.413 120.421 -3.008 1
1 440 . 19 1 1 A 52 52 LYS H H 52 8.249 7.793 0.456 1
1 441 . 19 1 1 A 52 52 LYS HA H 52 4.318 4.086 0.232 1
1 450 . 19 1 1 A 52 52 LYS N N 52 117.183 120.074 -2.891 1
1 451 . 19 1 1 A 53 53 SER H H 53 7.664 8.114 -0.450 1
1 452 . 19 1 1 A 53 53 SER HA H 53 5.067 4.840 0.227 1
1 455 . 19 1 1 A 53 53 SER N N 53 113.070 114.781 -1.711 1
1 456 . 19 1 1 A 54 54 LEU H H 54 7.375 7.467 -0.092 1
1 457 . 19 1 1 A 54 54 LEU HA H 54 3.980 3.926 0.054 1
1 467 . 19 1 1 A 54 54 LEU N N 54 123.828 123.497 0.331 1
1 468 . 19 1 1 A 55 55 ASN H H 55 8.705 8.445 0.260 1
1 469 . 19 1 1 A 55 55 ASN HA H 55 4.434 4.505 -0.071 1
1 474 . 19 1 1 A 55 55 ASN N N 55 114.672 117.066 -2.394 1
1 476 . 19 1 1 A 56 56 LYS H H 56 7.685 7.874 -0.189 1
1 477 . 19 1 1 A 56 56 LYS HA H 56 4.289 4.091 0.198 1
1 486 . 19 1 1 A 56 56 LYS N N 56 121.417 119.901 1.516 1
1 487 . 19 1 1 A 57 57 LEU H H 57 8.120 8.656 -0.536 1
1 488 . 19 1 1 A 57 57 LEU HA H 57 3.948 3.975 -0.027 1
1 498 . 19 1 1 A 57 57 LEU N N 57 118.616 119.504 -0.888 1
1 499 . 19 1 1 A 58 58 TYR H H 58 8.659 8.737 -0.078 1
1 500 . 19 1 1 A 58 58 TYR HA H 58 4.124 4.080 0.044 1
1 507 . 19 1 1 A 58 58 TYR N N 58 119.812 119.340 0.472 1
1 508 . 19 1 1 A 59 59 GLU H H 59 7.999 8.530 -0.531 1
1 509 . 19 1 1 A 59 59 GLU HA H 59 3.945 4.013 -0.068 1
1 514 . 19 1 1 A 59 59 GLU N N 59 118.851 119.514 -0.663 1
1 515 . 19 1 1 A 60 60 TYR H H 60 8.132 8.388 -0.256 1
1 516 . 19 1 1 A 60 60 TYR HA H 60 4.056 4.089 -0.033 1
1 523 . 19 1 1 A 60 60 TYR N N 60 118.616 120.976 -2.360 1
1 524 . 19 1 1 A 61 61 ILE H H 61 7.985 7.666 0.319 1
1 525 . 19 1 1 A 61 61 ILE HA H 61 3.638 3.632 0.006 1
1 535 . 19 1 1 A 61 61 ILE N N 61 115.242 118.354 -3.112 1
1 536 . 19 1 1 A 62 62 GLU H H 62 7.409 8.155 -0.746 1
1 537 . 19 1 1 A 62 62 GLU HA H 62 4.056 3.849 0.207 1
1 542 . 19 1 1 A 62 62 GLU N N 62 118.370 120.663 -2.293 1
1 543 . 19 1 1 A 63 63 GLN H H 63 7.320 7.820 -0.500 1
1 544 . 19 1 1 A 63 63 GLN HA H 63 4.583 4.367 0.216 1
1 551 . 19 1 1 A 63 63 GLN N N 63 118.398 118.469 -0.071 1
1 553 . 19 1 1 A 64 64 SER H H 64 8.134 8.491 -0.357 1
1 554 . 19 1 1 A 64 64 SER HA H 64 4.122 4.475 -0.353 1
1 557 . 19 1 1 A 64 64 SER N N 64 115.490 114.854 0.636 1
1 558 . 19 1 1 A 65 65 LYS H H 65 8.663 8.489 0.174 1
1 559 . 19 1 1 A 65 65 LYS HA H 65 4.132 3.830 0.302 1
1 562 . 19 1 1 A 65 65 LYS N N 65 122.473 125.705 -3.232 1
1 563 . 19 1 1 A 66 66 ASN H H 66 8.010 7.864 0.146 1
1 564 . 19 1 1 A 66 66 ASN HA H 66 3.809 4.580 -0.771 1
1 569 . 19 1 1 A 66 66 ASN N N 66 117.420 112.723 4.697 1
1 571 . 19 1 1 A 67 67 CYS H H 67 7.649 8.481 -0.832 1
1 572 . 19 1 1 A 67 67 CYS HA H 67 5.108 5.593 -0.485 1
1 575 . 19 1 1 A 67 67 CYS N N 67 116.684 115.810 0.874 1
1 576 . 19 1 1 A 68 68 SER H H 68 8.891 9.063 -0.172 1
1 577 . 19 1 1 A 68 68 SER HA H 68 4.379 5.004 -0.625 1
1 580 . 19 1 1 A 68 68 SER N N 68 115.241 119.601 -4.360 1
1 581 . 19 1 1 A 69 69 TYR H H 69 9.864 8.137 1.727 1
1 582 . 19 1 1 A 69 69 TYR HA H 69 4.569 4.161 0.408 1
1 589 . 19 1 1 A 69 69 TYR N N 69 124.277 123.254 1.023 1
1 590 . 19 1 1 A 70 70 CYS H H 70 7.841 7.882 -0.041 1
1 591 . 19 1 1 A 70 70 CYS HA H 70 4.920 4.659 0.261 1
1 594 . 19 1 1 A 70 70 CYS N N 70 115.300 114.389 0.911 1
1 595 . 19 1 1 A 71 71 SER H H 71 8.032 8.603 -0.571 1
1 596 . 19 1 1 A 71 71 SER HA H 71 4.673 4.832 -0.159 1
1 599 . 19 1 1 A 71 71 SER N N 71 119.327 115.497 3.830 1
1 600 . 19 1 1 A 72 72 GLU H H 72 8.701 8.863 -0.162 1
1 601 . 19 1 1 A 72 72 GLU HA H 72 4.459 4.330 0.129 1
1 606 . 19 1 1 A 72 72 GLU N N 72 122.947 127.325 -4.378 1
1 607 . 19 1 1 A 73 73 ASP H H 73 8.053 8.146 -0.093 1
1 608 . 19 1 1 A 73 73 ASP HA H 73 4.529 4.785 -0.256 1
1 611 . 19 1 1 A 73 73 ASP N N 73 120.929 125.133 -4.204 1
1 612 . 19 1 1 A 74 74 GLU H H 74 8.754 9.050 -0.296 1
1 613 . 19 1 1 A 74 74 GLU HA H 74 4.251 4.179 0.072 1
1 618 . 19 1 1 A 74 74 GLU N N 74 122.241 126.065 -3.824 1
1 619 . 19 1 1 A 75 75 ASN H H 75 8.564 7.935 0.629 1
1 620 . 19 1 1 A 75 75 ASN HA H 75 4.803 4.895 -0.092 1
1 625 . 19 1 1 A 75 75 ASN N N 75 117.681 115.659 2.022 1
1 627 . 19 1 1 A 76 76 CYS H H 76 7.923 7.345 0.578 1
1 628 . 19 1 1 A 76 76 CYS HA H 76 4.377 4.354 0.023 1
1 631 . 19 1 1 A 76 76 CYS N N 76 120.055 120.184 -0.129 1
1 632 . 19 1 1 A 77 77 ASN H H 77 8.717 8.843 -0.126 1
1 633 . 19 1 1 A 77 77 ASN HA H 77 4.759 4.959 -0.200 1
1 638 . 19 1 1 A 77 77 ASN N N 77 122.469 127.770 -5.301 1
1 640 . 19 1 1 A 78 78 ASN H H 78 8.564 8.847 -0.283 1
1 641 . 19 1 1 A 78 78 ASN HA H 78 4.772 5.198 -0.426 1
1 646 . 19 1 1 A 78 78 ASN N N 78 121.986 125.070 -3.084 1
1 648 . 19 1 1 A 79 79 LEU H H 79 8.160 8.406 -0.246 1
1 649 . 19 1 1 A 79 79 LEU HA H 79 4.282 4.302 -0.020 1
1 659 . 19 1 1 A 79 79 LEU N N 79 122.221 125.768 -3.547 1
1 660 . 19 1 1 A 80 80 LEU H H 80 8.034 7.951 0.083 1
1 661 . 19 1 1 A 80 80 LEU HA H 80 4.391 4.346 0.045 1
1 671 . 19 1 1 A 80 80 LEU N N 80 121.024 119.888 1.136 1
1 672 . 19 1 1 A 81 81 GLU H H 81 8.105 8.338 -0.233 1
1 673 . 19 1 1 A 81 81 GLU HA H 81 4.298 3.929 0.369 1
1 678 . 19 1 1 A 81 81 GLU N N 81 122.466 125.107 -2.641 1
1 679 . 19 1 1 A 82 82 GLY H H 82 8.274 8.666 -0.392 1
1 680 . 19 1 1 A 82 82 GLY HA2 H 82 3.852 3.415 0.437 1
1 681 . 19 1 1 A 82 82 GLY HA3 H 82 3.988 3.704 0.284 1
1 682 . 19 1 1 A 82 82 GLY N N 82 112.347 114.298 -1.951 1
1 683 . 19 1 1 A 83 83 TYR H H 83 7.850 7.713 0.137 1
1 684 . 19 1 1 A 83 83 TYR HA H 83 5.113 5.142 -0.029 1
1 691 . 19 1 1 A 83 83 TYR N N 83 118.873 119.362 -0.489 1
1 692 . 19 1 1 A 84 84 HIS H H 84 9.473 9.063 0.410 1
1 693 . 19 1 1 A 84 84 HIS HA H 84 5.117 4.888 0.229 1
1 698 . 19 1 1 A 84 84 HIS N N 84 120.297 118.195 2.102 1
1 699 . 19 1 1 A 85 85 PRO HA H 85 4.678 4.246 0.432 1
1 706 . 19 1 1 A 86 86 LYS H H 86 9.027 8.808 0.219 1
1 707 . 19 1 1 A 86 86 LYS HA H 86 4.709 5.251 -0.542 1
1 716 . 19 1 1 A 86 86 LYS N N 86 119.573 116.942 2.631 1
1 717 . 19 1 1 A 87 87 LEU H H 87 7.785 8.139 -0.354 1
1 718 . 19 1 1 A 87 87 LEU HA H 87 4.414 4.261 0.153 1
1 727 . 19 1 1 A 87 87 LEU N N 87 123.673 124.734 -1.061 1
1 728 . 19 1 1 A 88 88 VAL H H 88 8.443 8.764 -0.321 1
1 729 . 19 1 1 A 88 88 VAL HA H 88 4.616 5.114 -0.498 1
1 737 . 19 1 1 A 88 88 VAL N N 88 115.720 117.703 -1.983 1
1 738 . 19 1 1 A 89 89 VAL H H 89 8.621 9.040 -0.419 1
1 739 . 19 1 1 A 89 89 VAL HA H 89 4.471 4.899 -0.428 1
1 747 . 19 1 1 A 89 89 VAL N N 89 122.477 121.645 0.832 1
1 748 . 19 1 1 A 90 90 ASN H H 90 8.721 9.081 -0.360 1
1 749 . 19 1 1 A 90 90 ASN HA H 90 5.020 5.078 -0.058 1
1 754 . 19 1 1 A 90 90 ASN N N 90 127.524 126.999 0.525 1
1 756 . 19 1 1 A 91 91 GLY H H 91 9.006 8.938 0.068 1
1 757 . 19 1 1 A 91 91 GLY HA2 H 91 3.639 3.873 -0.234 1
1 758 . 19 1 1 A 91 91 GLY HA3 H 91 3.993 3.874 0.119 1
1 759 . 19 1 1 A 91 91 GLY N N 91 115.517 115.171 0.346 1
1 760 . 19 1 1 A 92 92 ARG H H 92 8.675 8.607 0.068 1
1 761 . 19 1 1 A 92 92 ARG HA H 92 4.530 4.362 0.168 1
1 768 . 19 1 1 A 92 92 ARG N N 92 125.836 126.433 -0.597 1
1 769 . 19 1 1 A 93 93 SER H H 93 7.875 7.536 0.339 1
1 770 . 19 1 1 A 93 93 SER HA H 93 4.707 5.130 -0.423 1
1 773 . 19 1 1 A 93 93 SER N N 93 114.996 112.732 2.264 1
1 774 . 19 1 1 A 94 94 ILE H H 94 7.943 9.205 -1.262 1
1 775 . 19 1 1 A 94 94 ILE HA H 94 4.694 4.710 -0.016 1
1 785 . 19 1 1 A 94 94 ILE N N 94 123.668 123.285 0.383 1
1 786 . 19 1 1 A 95 95 ASP H H 95 8.975 9.370 -0.395 1
1 787 . 19 1 1 A 95 95 ASP HA H 95 4.995 5.450 -0.455 1
1 790 . 19 1 1 A 95 95 ASP N N 95 128.002 127.288 0.714 1
1 791 . 19 1 1 A 96 96 ILE H H 96 8.672 8.605 0.067 1
1 792 . 19 1 1 A 96 96 ILE HA H 96 4.669 4.830 -0.161 1
1 802 . 19 1 1 A 96 96 ILE N N 96 118.150 121.961 -3.811 1
1 803 . 19 1 1 A 97 97 GLU H H 97 8.990 8.772 0.218 1
1 804 . 19 1 1 A 97 97 GLU HA H 97 4.604 5.211 -0.607 1
1 809 . 19 1 1 A 97 97 GLU N N 97 128.072 125.002 3.070 1
1 810 . 19 1 1 A 98 98 TYR H H 98 8.544 8.977 -0.433 1
1 811 . 19 1 1 A 98 98 TYR HA H 98 5.662 5.836 -0.174 1
1 818 . 19 1 1 A 98 98 TYR N N 98 118.130 119.070 -0.940 1
1 819 . 19 1 1 A 99 99 TYR H H 99 9.389 8.802 0.587 1
1 820 . 19 1 1 A 99 99 TYR HA H 99 5.258 5.709 -0.451 1
1 827 . 19 1 1 A 99 99 TYR N N 99 121.021 120.882 0.139 1
1 828 . 19 1 1 A 100 100 GLU H H 100 8.942 8.731 0.211 1
1 829 . 19 1 1 A 100 100 GLU HA H 100 3.495 4.643 -1.148 1
1 834 . 19 1 1 A 100 100 GLU N N 100 122.954 121.895 1.059 1
1 835 . 19 1 1 A 101 101 CYS H H 101 7.742 8.912 -1.170 1
1 836 . 19 1 1 A 101 101 CYS HA H 101 3.342 4.179 -0.837 1
1 839 . 19 1 1 A 101 101 CYS N N 101 125.649 125.575 0.074 1
1 840 . 19 1 1 A 102 102 PRO HA H 102 4.415 4.454 -0.039 1
1 847 . 19 1 1 A 103 103 VAL H H 103 8.493 7.783 0.710 1
1 848 . 19 1 1 A 103 103 VAL HA H 103 3.990 3.915 0.075 1
1 856 . 19 1 1 A 103 103 VAL N N 103 121.026 117.084 3.942 1
1 857 . 19 1 1 A 104 104 LYS H H 104 7.585 8.052 -0.467 1
1 858 . 19 1 1 A 104 104 LYS HA H 104 3.972 4.156 -0.184 1
1 867 . 19 1 1 A 104 104 LYS N N 104 122.941 121.617 1.324 1
1 868 . 19 1 1 A 105 105 ARG H H 105 7.848 7.703 0.145 1
1 869 . 19 1 1 A 105 105 ARG HA H 105 4.276 4.422 -0.146 1
1 876 . 19 1 1 A 105 105 ARG N N 105 121.986 117.110 4.876 1
1 6 . 20 1 1 A 2 2 GLU HA H 2 4.671 4.603 0.068 1
1 11 . 20 1 1 A 3 3 PRO HA H 3 4.473 4.548 -0.075 1
1 18 . 20 1 1 A 4 4 ILE H H 4 8.270 7.953 0.317 1
1 19 . 20 1 1 A 4 4 ILE HA H 4 4.156 4.348 -0.192 1
1 29 . 20 1 1 A 4 4 ILE N N 4 121.501 124.627 -3.126 1
1 30 . 20 1 1 A 5 5 GLY H H 5 8.516 8.273 0.243 1
1 31 . 20 1 1 A 5 5 GLY HA2 H 5 3.952 4.361 -0.409 1
1 32 . 20 1 1 A 5 5 GLY HA3 H 5 3.992 4.361 -0.369 1
1 33 . 20 1 1 A 5 5 GLY N N 5 112.831 114.455 -1.624 1
1 34 . 20 1 1 A 6 6 ARG H H 6 8.197 8.498 -0.301 1
1 35 . 20 1 1 A 6 6 ARG HA H 6 4.383 4.701 -0.318 1
1 42 . 20 1 1 A 6 6 ARG N N 6 121.014 121.337 -0.323 1
1 43 . 20 1 1 A 7 7 SER H H 7 8.400 7.962 0.438 1
1 44 . 20 1 1 A 7 7 SER HA H 7 4.472 4.748 -0.276 1
1 47 . 20 1 1 A 7 7 SER N N 7 116.921 115.338 1.583 1
1 48 . 20 1 1 A 8 8 LEU H H 8 8.376 7.806 0.570 1
1 49 . 20 1 1 A 8 8 LEU HA H 8 4.390 4.036 0.354 1
1 59 . 20 1 1 A 8 8 LEU N N 8 124.394 122.442 1.952 1
1 60 . 20 1 1 A 9 9 GLN H H 9 8.292 8.199 0.093 1
1 61 . 20 1 1 A 9 9 GLN HA H 9 4.323 4.513 -0.190 1
1 68 . 20 1 1 A 9 9 GLN N N 9 120.593 114.307 6.286 1
1 70 . 20 1 1 A 10 10 GLY H H 10 8.417 7.535 0.882 1
1 71 . 20 1 1 A 10 10 GLY HA2 H 10 3.992 4.141 -0.149 1
1 72 . 20 1 1 A 10 10 GLY HA3 H 10 3.992 4.141 -0.149 1
1 73 . 20 1 1 A 10 10 GLY N N 10 110.179 104.488 5.691 1
1 74 . 20 1 1 A 11 11 VAL H H 11 8.040 8.345 -0.305 1
1 75 . 20 1 1 A 11 11 VAL HA H 11 4.208 4.460 -0.252 1
1 83 . 20 1 1 A 11 11 VAL N N 11 119.334 124.092 -4.758 1
1 84 . 20 1 1 A 12 12 THR H H 12 8.210 8.745 -0.535 1
1 85 . 20 1 1 A 12 12 THR HA H 12 4.285 4.670 -0.385 1
1 90 . 20 1 1 A 12 12 THR N N 12 117.160 120.060 -2.900 1
1 91 . 20 1 1 A 13 13 GLY H H 13 8.388 8.485 -0.097 1
1 92 . 20 1 1 A 13 13 GLY HA2 H 13 3.988 4.063 -0.075 1
1 93 . 20 1 1 A 13 13 GLY HA3 H 13 4.027 4.064 -0.037 1
1 94 . 20 1 1 A 13 13 GLY N N 13 111.151 114.038 -2.887 1
1 95 . 20 1 1 A 14 14 ARG H H 14 8.169 8.543 -0.374 1
1 96 . 20 1 1 A 14 14 ARG HA H 14 4.668 4.956 -0.288 1
1 103 . 20 1 1 A 14 14 ARG N N 14 121.499 122.029 -0.530 1
1 104 . 20 1 1 A 15 15 PRO HA H 15 4.426 4.793 -0.367 1
1 111 . 20 1 1 A 16 16 ASP H H 16 8.475 8.803 -0.328 1
1 112 . 20 1 1 A 16 16 ASP HA H 16 4.556 4.319 0.237 1
1 115 . 20 1 1 A 16 16 ASP N N 16 119.586 125.455 -5.869 1
1 116 . 20 1 1 A 17 17 PHE H H 17 8.179 8.269 -0.090 1
1 117 . 20 1 1 A 17 17 PHE HA H 17 4.366 4.120 0.246 1
1 125 . 20 1 1 A 17 17 PHE N N 17 121.747 121.677 0.070 1
1 126 . 20 1 1 A 18 18 GLN H H 18 8.200 8.132 0.068 1
1 127 . 20 1 1 A 18 18 GLN HA H 18 3.998 3.753 0.245 1
1 134 . 20 1 1 A 18 18 GLN N N 18 119.816 117.398 2.418 1
1 136 . 20 1 1 A 19 19 LYS H H 19 7.986 7.445 0.541 1
1 137 . 20 1 1 A 19 19 LYS HA H 19 4.126 4.057 0.069 1
1 146 . 20 1 1 A 19 19 LYS N N 19 120.081 119.552 0.529 1
1 147 . 20 1 1 A 20 20 ARG H H 20 7.918 7.764 0.154 1
1 148 . 20 1 1 A 20 20 ARG HA H 20 4.125 3.989 0.136 1
1 155 . 20 1 1 A 20 20 ARG N N 20 118.851 119.333 -0.482 1
1 156 . 20 1 1 A 21 21 LEU H H 21 7.954 7.985 -0.031 1
1 157 . 20 1 1 A 21 21 LEU HA H 21 4.127 3.786 0.341 1
1 167 . 20 1 1 A 21 21 LEU N N 21 121.258 121.219 0.039 1
1 168 . 20 1 1 A 22 22 GLU H H 22 8.169 8.339 -0.170 1
1 169 . 20 1 1 A 22 22 GLU HA H 22 3.981 3.968 0.013 1
1 174 . 20 1 1 A 22 22 GLU N N 22 119.093 118.260 0.833 1
1 175 . 20 1 1 A 23 23 GLN H H 23 8.015 7.784 0.231 1
1 176 . 20 1 1 A 23 23 GLN HA H 23 4.174 4.030 0.144 1
1 183 . 20 1 1 A 23 23 GLN N N 23 119.335 120.175 -0.840 1
1 185 . 20 1 1 A 24 24 MET H H 24 8.209 8.389 -0.180 1
1 186 . 20 1 1 A 24 24 MET HA H 24 4.005 3.937 0.068 1
1 194 . 20 1 1 A 24 24 MET N N 24 119.750 118.567 1.183 1
1 195 . 20 1 1 A 25 25 LYS H H 25 8.387 7.853 0.534 1
1 196 . 20 1 1 A 25 25 LYS HA H 25 3.797 3.955 -0.158 1
1 205 . 20 1 1 A 25 25 LYS N N 25 119.097 120.469 -1.372 1
1 206 . 20 1 1 A 26 26 GLU H H 26 7.936 8.018 -0.082 1
1 207 . 20 1 1 A 26 26 GLU HA H 26 3.989 4.053 -0.064 1
1 212 . 20 1 1 A 26 26 GLU N N 26 117.895 118.403 -0.508 1
1 213 . 20 1 1 A 27 27 LYS H H 27 7.608 7.723 -0.115 1
1 214 . 20 1 1 A 27 27 LYS HA H 27 4.027 4.091 -0.064 1
1 223 . 20 1 1 A 27 27 LYS N N 27 117.438 118.840 -1.402 1
1 224 . 20 1 1 A 28 28 VAL H H 28 8.285 8.204 0.081 1
1 225 . 20 1 1 A 28 28 VAL HA H 28 3.813 3.668 0.145 1
1 233 . 20 1 1 A 28 28 VAL N N 28 118.134 119.577 -1.443 1
1 234 . 20 1 1 A 29 29 MET H H 29 8.030 8.092 -0.062 1
1 235 . 20 1 1 A 29 29 MET HA H 29 4.422 4.369 0.053 1
1 243 . 20 1 1 A 29 29 MET N N 29 112.840 118.487 -5.647 1
1 244 . 20 1 1 A 30 30 LYS H H 30 7.320 7.650 -0.330 1
1 245 . 20 1 1 A 30 30 LYS HA H 30 4.304 4.432 -0.128 1
1 254 . 20 1 1 A 30 30 LYS N N 30 116.038 117.786 -1.748 1
1 255 . 20 1 1 A 31 31 ASP H H 31 7.495 7.452 0.043 1
1 256 . 20 1 1 A 31 31 ASP HA H 31 4.594 4.607 -0.013 1
1 259 . 20 1 1 A 31 31 ASP N N 31 122.944 121.382 1.562 1
1 260 . 20 1 1 A 32 32 GLN H H 32 9.076 8.818 0.258 1
1 261 . 20 1 1 A 32 32 GLN HA H 32 4.029 3.999 0.030 1
1 268 . 20 1 1 A 32 32 GLN N N 32 126.326 125.484 0.842 1
1 270 . 20 1 1 A 33 33 ASP H H 33 8.456 7.862 0.594 1
1 271 . 20 1 1 A 33 33 ASP HA H 33 4.671 4.674 -0.003 1
1 274 . 20 1 1 A 33 33 ASP N N 33 122.586 120.817 1.769 1
1 275 . 20 1 1 A 34 34 VAL H H 34 9.317 8.228 1.089 1
1 276 . 20 1 1 A 34 34 VAL HA H 34 3.521 3.631 -0.110 1
1 284 . 20 1 1 A 34 34 VAL N N 34 124.689 120.718 3.971 1
1 285 . 20 1 1 A 35 35 GLN H H 35 8.633 8.151 0.482 1
1 286 . 20 1 1 A 35 35 GLN HA H 35 3.901 3.994 -0.093 1
1 293 . 20 1 1 A 35 35 GLN N N 35 117.209 118.912 -1.703 1
1 295 . 20 1 1 A 36 36 ALA H H 36 7.935 7.753 0.182 1
1 296 . 20 1 1 A 36 36 ALA HA H 36 4.211 4.162 0.049 1
1 300 . 20 1 1 A 36 36 ALA N N 36 121.503 122.242 -0.739 1
1 301 . 20 1 1 A 37 37 PHE H H 37 7.862 7.914 -0.052 1
1 302 . 20 1 1 A 37 37 PHE HA H 37 4.357 4.338 0.019 1
1 310 . 20 1 1 A 37 37 PHE N N 37 121.040 119.874 1.166 1
1 311 . 20 1 1 A 38 38 LEU H H 38 8.848 8.574 0.274 1
1 312 . 20 1 1 A 38 38 LEU HA H 38 3.581 3.616 -0.035 1
1 322 . 20 1 1 A 38 38 LEU N N 38 120.561 119.473 1.088 1
1 323 . 20 1 1 A 39 39 LYS H H 39 7.885 8.532 -0.647 1
1 324 . 20 1 1 A 39 39 LYS HA H 39 4.142 3.962 0.180 1
1 333 . 20 1 1 A 39 39 LYS N N 39 118.613 118.659 -0.046 1
1 334 . 20 1 1 A 40 40 GLU H H 40 8.134 7.634 0.500 1
1 335 . 20 1 1 A 40 40 GLU HA H 40 4.054 4.074 -0.020 1
1 340 . 20 1 1 A 40 40 GLU N N 40 119.387 118.587 0.800 1
1 341 . 20 1 1 A 41 41 ASN H H 41 7.089 7.429 -0.340 1
1 342 . 20 1 1 A 41 41 ASN HA H 41 4.933 4.937 -0.004 1
1 347 . 20 1 1 A 41 41 ASN N N 41 114.032 115.896 -1.864 1
1 349 . 20 1 1 A 42 42 GLU H H 42 7.086 8.187 -1.101 1
1 350 . 20 1 1 A 42 42 GLU HA H 42 3.957 3.975 -0.018 1
1 355 . 20 1 1 A 42 42 GLU N N 42 121.023 119.298 1.725 1
1 356 . 20 1 1 A 43 43 GLU H H 43 8.648 7.672 0.976 1
1 357 . 20 1 1 A 43 43 GLU HA H 43 4.207 4.077 0.130 1
1 362 . 20 1 1 A 43 43 GLU N N 43 115.965 120.530 -4.565 1
1 363 . 20 1 1 A 44 44 VAL H H 44 7.526 7.606 -0.080 1
1 364 . 20 1 1 A 44 44 VAL HA H 44 4.445 4.138 0.307 1
1 372 . 20 1 1 A 44 44 VAL N N 44 110.987 116.964 -5.977 1
1 373 . 20 1 1 A 45 45 ILE H H 45 7.246 7.634 -0.388 1
1 374 . 20 1 1 A 45 45 ILE HA H 45 4.531 4.157 0.374 1
1 384 . 20 1 1 A 45 45 ILE N N 45 119.815 121.263 -1.448 1
1 385 . 20 1 1 A 46 46 ASP H H 46 7.351 8.235 -0.884 1
1 386 . 20 1 1 A 46 46 ASP HA H 46 4.958 5.031 -0.073 1
1 389 . 20 1 1 A 46 46 ASP N N 46 124.659 126.361 -1.702 1
1 390 . 20 1 1 A 47 47 GLN H H 47 8.504 8.882 -0.378 1
1 391 . 20 1 1 A 47 47 GLN HA H 47 3.949 3.938 0.011 1
1 398 . 20 1 1 A 47 47 GLN N N 47 117.654 123.475 -5.821 1
1 400 . 20 1 1 A 48 48 LYS H H 48 8.030 8.031 -0.001 1
1 401 . 20 1 1 A 48 48 LYS HA H 48 4.132 4.046 0.086 1
1 410 . 20 1 1 A 48 48 LYS N N 48 119.335 119.797 -0.462 1
1 411 . 20 1 1 A 49 49 MET H H 49 8.250 8.189 0.061 1
1 412 . 20 1 1 A 49 49 MET HA H 49 4.132 4.249 -0.117 1
1 420 . 20 1 1 A 49 49 MET N N 49 120.061 118.860 1.201 1
1 421 . 20 1 1 A 50 50 ILE H H 50 7.726 7.815 -0.089 1
1 422 . 20 1 1 A 50 50 ILE HA H 50 3.379 3.654 -0.275 1
1 432 . 20 1 1 A 50 50 ILE N N 50 120.912 119.939 0.973 1
1 433 . 20 1 1 A 51 51 GLU H H 51 8.044 8.176 -0.132 1
1 434 . 20 1 1 A 51 51 GLU HA H 51 3.906 3.964 -0.058 1
1 439 . 20 1 1 A 51 51 GLU N N 51 117.413 118.982 -1.569 1
1 440 . 20 1 1 A 52 52 LYS H H 52 8.249 8.002 0.247 1
1 441 . 20 1 1 A 52 52 LYS HA H 52 4.318 4.103 0.215 1
1 450 . 20 1 1 A 52 52 LYS N N 52 117.183 121.478 -4.295 1
1 451 . 20 1 1 A 53 53 SER H H 53 7.664 8.132 -0.468 1
1 452 . 20 1 1 A 53 53 SER HA H 53 5.067 4.867 0.200 1
1 455 . 20 1 1 A 53 53 SER N N 53 113.070 114.651 -1.581 1
1 456 . 20 1 1 A 54 54 LEU H H 54 7.375 7.479 -0.104 1
1 457 . 20 1 1 A 54 54 LEU HA H 54 3.980 4.001 -0.021 1
1 467 . 20 1 1 A 54 54 LEU N N 54 123.828 123.300 0.528 1
1 468 . 20 1 1 A 55 55 ASN H H 55 8.705 8.618 0.087 1
1 469 . 20 1 1 A 55 55 ASN HA H 55 4.434 4.498 -0.064 1
1 474 . 20 1 1 A 55 55 ASN N N 55 114.672 116.726 -2.054 1
1 476 . 20 1 1 A 56 56 LYS H H 56 7.685 7.752 -0.067 1
1 477 . 20 1 1 A 56 56 LYS HA H 56 4.289 4.103 0.186 1
1 486 . 20 1 1 A 56 56 LYS N N 56 121.417 119.872 1.545 1
1 487 . 20 1 1 A 57 57 LEU H H 57 8.120 8.627 -0.507 1
1 488 . 20 1 1 A 57 57 LEU HA H 57 3.948 3.966 -0.018 1
1 498 . 20 1 1 A 57 57 LEU N N 57 118.616 119.304 -0.688 1
1 499 . 20 1 1 A 58 58 TYR H H 58 8.659 8.563 0.096 1
1 500 . 20 1 1 A 58 58 TYR HA H 58 4.124 4.082 0.042 1
1 507 . 20 1 1 A 58 58 TYR N N 58 119.812 119.409 0.403 1
1 508 . 20 1 1 A 59 59 GLU H H 59 7.999 8.401 -0.402 1
1 509 . 20 1 1 A 59 59 GLU HA H 59 3.945 4.003 -0.058 1
1 514 . 20 1 1 A 59 59 GLU N N 59 118.851 119.792 -0.941 1
1 515 . 20 1 1 A 60 60 TYR H H 60 8.132 8.165 -0.033 1
1 516 . 20 1 1 A 60 60 TYR HA H 60 4.056 4.135 -0.079 1
1 523 . 20 1 1 A 60 60 TYR N N 60 118.616 120.899 -2.283 1
1 524 . 20 1 1 A 61 61 ILE H H 61 7.985 7.636 0.349 1
1 525 . 20 1 1 A 61 61 ILE HA H 61 3.638 3.495 0.143 1
1 535 . 20 1 1 A 61 61 ILE N N 61 115.242 118.347 -3.105 1
1 536 . 20 1 1 A 62 62 GLU H H 62 7.409 7.663 -0.254 1
1 537 . 20 1 1 A 62 62 GLU HA H 62 4.056 3.923 0.133 1
1 542 . 20 1 1 A 62 62 GLU N N 62 118.370 120.196 -1.826 1
1 543 . 20 1 1 A 63 63 GLN H H 63 7.320 7.058 0.262 1
1 544 . 20 1 1 A 63 63 GLN HA H 63 4.583 4.319 0.264 1
1 551 . 20 1 1 A 63 63 GLN N N 63 118.398 118.813 -0.415 1
1 553 . 20 1 1 A 64 64 SER H H 64 8.134 8.309 -0.175 1
1 554 . 20 1 1 A 64 64 SER HA H 64 4.122 4.324 -0.202 1
1 557 . 20 1 1 A 64 64 SER N N 64 115.490 115.681 -0.191 1
1 558 . 20 1 1 A 65 65 LYS H H 65 8.663 8.149 0.514 1
1 559 . 20 1 1 A 65 65 LYS HA H 65 4.132 3.835 0.297 1
1 562 . 20 1 1 A 65 65 LYS N N 65 122.473 128.043 -5.570 1
1 563 . 20 1 1 A 66 66 ASN H H 66 8.010 7.586 0.424 1
1 564 . 20 1 1 A 66 66 ASN HA H 66 3.809 4.476 -0.667 1
1 569 . 20 1 1 A 66 66 ASN N N 66 117.420 113.500 3.920 1
1 571 . 20 1 1 A 67 67 CYS H H 67 7.649 7.774 -0.125 1
1 572 . 20 1 1 A 67 67 CYS HA H 67 5.108 4.846 0.262 1
1 575 . 20 1 1 A 67 67 CYS N N 67 116.684 115.504 1.180 1
1 576 . 20 1 1 A 68 68 SER H H 68 8.891 9.054 -0.163 1
1 577 . 20 1 1 A 68 68 SER HA H 68 4.379 4.866 -0.487 1
1 580 . 20 1 1 A 68 68 SER N N 68 115.241 119.687 -4.446 1
1 581 . 20 1 1 A 69 69 TYR H H 69 9.864 7.953 1.911 1
1 582 . 20 1 1 A 69 69 TYR HA H 69 4.569 4.318 0.251 1
1 589 . 20 1 1 A 69 69 TYR N N 69 124.277 122.324 1.953 1
1 590 . 20 1 1 A 70 70 CYS H H 70 7.841 8.107 -0.266 1
1 591 . 20 1 1 A 70 70 CYS HA H 70 4.920 4.782 0.138 1
1 594 . 20 1 1 A 70 70 CYS N N 70 115.300 114.630 0.670 1
1 595 . 20 1 1 A 71 71 SER H H 71 8.032 8.310 -0.278 1
1 596 . 20 1 1 A 71 71 SER HA H 71 4.673 4.880 -0.207 1
1 599 . 20 1 1 A 71 71 SER N N 71 119.327 115.831 3.496 1
1 600 . 20 1 1 A 72 72 GLU H H 72 8.701 8.691 0.010 1
1 601 . 20 1 1 A 72 72 GLU HA H 72 4.459 4.219 0.240 1
1 606 . 20 1 1 A 72 72 GLU N N 72 122.947 125.700 -2.753 1
1 607 . 20 1 1 A 73 73 ASP H H 73 8.053 7.608 0.445 1
1 608 . 20 1 1 A 73 73 ASP HA H 73 4.529 4.509 0.020 1
1 611 . 20 1 1 A 73 73 ASP N N 73 120.929 119.456 1.473 1
1 612 . 20 1 1 A 74 74 GLU H H 74 8.754 8.880 -0.126 1
1 613 . 20 1 1 A 74 74 GLU HA H 74 4.251 4.040 0.211 1
1 618 . 20 1 1 A 74 74 GLU N N 74 122.241 122.099 0.142 1
1 619 . 20 1 1 A 75 75 ASN H H 75 8.564 8.126 0.438 1
1 620 . 20 1 1 A 75 75 ASN HA H 75 4.803 4.541 0.262 1
1 625 . 20 1 1 A 75 75 ASN N N 75 117.681 116.487 1.194 1
1 627 . 20 1 1 A 76 76 CYS H H 76 7.923 7.586 0.337 1
1 628 . 20 1 1 A 76 76 CYS HA H 76 4.377 4.663 -0.286 1
1 631 . 20 1 1 A 76 76 CYS N N 76 120.055 116.051 4.004 1
1 632 . 20 1 1 A 77 77 ASN H H 77 8.717 7.394 1.323 1
1 633 . 20 1 1 A 77 77 ASN HA H 77 4.759 5.016 -0.257 1
1 638 . 20 1 1 A 77 77 ASN N N 77 122.469 119.625 2.844 1
1 640 . 20 1 1 A 78 78 ASN H H 78 8.564 8.379 0.185 1
1 641 . 20 1 1 A 78 78 ASN HA H 78 4.772 5.366 -0.594 1
1 646 . 20 1 1 A 78 78 ASN N N 78 121.986 118.442 3.544 1
1 648 . 20 1 1 A 79 79 LEU H H 79 8.160 8.765 -0.605 1
1 649 . 20 1 1 A 79 79 LEU HA H 79 4.282 3.946 0.336 1
1 659 . 20 1 1 A 79 79 LEU N N 79 122.221 120.480 1.741 1
1 660 . 20 1 1 A 80 80 LEU H H 80 8.034 7.421 0.613 1
1 661 . 20 1 1 A 80 80 LEU HA H 80 4.391 4.288 0.103 1
1 671 . 20 1 1 A 80 80 LEU N N 80 121.024 120.615 0.409 1
1 672 . 20 1 1 A 81 81 GLU H H 81 8.105 8.478 -0.373 1
1 673 . 20 1 1 A 81 81 GLU HA H 81 4.298 4.280 0.018 1
1 678 . 20 1 1 A 81 81 GLU N N 81 122.466 127.962 -5.496 1
1 679 . 20 1 1 A 82 82 GLY H H 82 8.274 8.960 -0.686 1
1 680 . 20 1 1 A 82 82 GLY HA2 H 82 3.852 3.797 0.055 1
1 681 . 20 1 1 A 82 82 GLY HA3 H 82 3.988 3.838 0.150 1
1 682 . 20 1 1 A 82 82 GLY N N 82 112.347 114.605 -2.258 1
1 683 . 20 1 1 A 83 83 TYR H H 83 7.850 7.729 0.121 1
1 684 . 20 1 1 A 83 83 TYR HA H 83 5.113 5.443 -0.330 1
1 691 . 20 1 1 A 83 83 TYR N N 83 118.873 119.284 -0.411 1
1 692 . 20 1 1 A 84 84 HIS H H 84 9.473 9.080 0.393 1
1 693 . 20 1 1 A 84 84 HIS HA H 84 5.117 4.800 0.317 1
1 698 . 20 1 1 A 84 84 HIS N N 84 120.297 118.237 2.060 1
1 699 . 20 1 1 A 85 85 PRO HA H 85 4.678 4.568 0.110 1
1 706 . 20 1 1 A 86 86 LYS H H 86 9.027 8.845 0.182 1
1 707 . 20 1 1 A 86 86 LYS HA H 86 4.709 5.028 -0.319 1
1 716 . 20 1 1 A 86 86 LYS N N 86 119.573 116.745 2.828 1
1 717 . 20 1 1 A 87 87 LEU H H 87 7.785 7.766 0.019 1
1 718 . 20 1 1 A 87 87 LEU HA H 87 4.414 4.408 0.006 1
1 727 . 20 1 1 A 87 87 LEU N N 87 123.673 122.543 1.130 1
1 728 . 20 1 1 A 88 88 VAL H H 88 8.443 9.080 -0.637 1
1 729 . 20 1 1 A 88 88 VAL HA H 88 4.616 4.947 -0.331 1
1 737 . 20 1 1 A 88 88 VAL N N 88 115.720 118.438 -2.718 1
1 738 . 20 1 1 A 89 89 VAL H H 89 8.621 9.041 -0.420 1
1 739 . 20 1 1 A 89 89 VAL HA H 89 4.471 4.731 -0.260 1
1 747 . 20 1 1 A 89 89 VAL N N 89 122.477 125.916 -3.439 1
1 748 . 20 1 1 A 90 90 ASN H H 90 8.721 9.277 -0.556 1
1 749 . 20 1 1 A 90 90 ASN HA H 90 5.020 5.088 -0.068 1
1 754 . 20 1 1 A 90 90 ASN N N 90 127.524 127.675 -0.151 1
1 756 . 20 1 1 A 91 91 GLY H H 91 9.006 8.904 0.102 1
1 757 . 20 1 1 A 91 91 GLY HA2 H 91 3.639 3.869 -0.230 1
1 758 . 20 1 1 A 91 91 GLY HA3 H 91 3.993 3.871 0.122 1
1 759 . 20 1 1 A 91 91 GLY N N 91 115.517 115.850 -0.333 1
1 760 . 20 1 1 A 92 92 ARG H H 92 8.675 8.624 0.051 1
1 761 . 20 1 1 A 92 92 ARG HA H 92 4.530 4.443 0.087 1
1 768 . 20 1 1 A 92 92 ARG N N 92 125.836 126.704 -0.868 1
1 769 . 20 1 1 A 93 93 SER H H 93 7.875 7.480 0.395 1
1 770 . 20 1 1 A 93 93 SER HA H 93 4.707 5.004 -0.297 1
1 773 . 20 1 1 A 93 93 SER N N 93 114.996 117.234 -2.238 1
1 774 . 20 1 1 A 94 94 ILE H H 94 7.943 9.296 -1.353 1
1 775 . 20 1 1 A 94 94 ILE HA H 94 4.694 4.976 -0.282 1
1 785 . 20 1 1 A 94 94 ILE N N 94 123.668 127.012 -3.344 1
1 786 . 20 1 1 A 95 95 ASP H H 95 8.975 9.437 -0.462 1
1 787 . 20 1 1 A 95 95 ASP HA H 95 4.995 5.402 -0.407 1
1 790 . 20 1 1 A 95 95 ASP N N 95 128.002 127.364 0.638 1
1 791 . 20 1 1 A 96 96 ILE H H 96 8.672 8.697 -0.025 1
1 792 . 20 1 1 A 96 96 ILE HA H 96 4.669 4.855 -0.186 1
1 802 . 20 1 1 A 96 96 ILE N N 96 118.150 121.455 -3.305 1
1 803 . 20 1 1 A 97 97 GLU H H 97 8.990 9.116 -0.126 1
1 804 . 20 1 1 A 97 97 GLU HA H 97 4.604 4.960 -0.356 1
1 809 . 20 1 1 A 97 97 GLU N N 97 128.072 126.840 1.232 1
1 810 . 20 1 1 A 98 98 TYR H H 98 8.544 8.612 -0.068 1
1 811 . 20 1 1 A 98 98 TYR HA H 98 5.662 5.967 -0.305 1
1 818 . 20 1 1 A 98 98 TYR N N 98 118.130 117.615 0.515 1
1 819 . 20 1 1 A 99 99 TYR H H 99 9.389 9.120 0.269 1
1 820 . 20 1 1 A 99 99 TYR HA H 99 5.258 5.717 -0.459 1
1 827 . 20 1 1 A 99 99 TYR N N 99 121.021 119.019 2.002 1
1 828 . 20 1 1 A 100 100 GLU H H 100 8.942 8.633 0.309 1
1 829 . 20 1 1 A 100 100 GLU HA H 100 3.495 4.012 -0.517 1
1 834 . 20 1 1 A 100 100 GLU N N 100 122.954 119.898 3.056 1
1 835 . 20 1 1 A 101 101 CYS H H 101 7.742 8.781 -1.039 1
1 836 . 20 1 1 A 101 101 CYS HA H 101 3.342 4.285 -0.943 1
1 839 . 20 1 1 A 101 101 CYS N N 101 125.649 123.512 2.137 1
1 840 . 20 1 1 A 102 102 PRO HA H 102 4.415 4.388 0.027 1
1 847 . 20 1 1 A 103 103 VAL H H 103 8.493 7.394 1.099 1
1 848 . 20 1 1 A 103 103 VAL HA H 103 3.990 3.868 0.122 1
1 856 . 20 1 1 A 103 103 VAL N N 103 121.026 116.168 4.858 1
1 857 . 20 1 1 A 104 104 LYS H H 104 7.585 7.848 -0.263 1
1 858 . 20 1 1 A 104 104 LYS HA H 104 3.972 4.390 -0.418 1
1 867 . 20 1 1 A 104 104 LYS N N 104 122.941 120.683 2.258 1
1 868 . 20 1 1 A 105 105 ARG H H 105 7.848 7.972 -0.124 1
1 869 . 20 1 1 A 105 105 ARG HA H 105 4.276 4.543 -0.267 1
1 876 . 20 1 1 A 105 105 ARG N N 105 121.986 114.649 7.337 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 99 0.513 1
5 1 1 1 "RMS(OBS, PRED)" HA 109 0.265 1
6 1 1 1 "RMS(OBS, PRED)" N 99 2.260 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 99 0.501 1
11 1 2 1 "RMS(OBS, PRED)" HA 109 0.256 1
12 1 2 1 "RMS(OBS, PRED)" N 99 2.348 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 99 0.507 1
17 1 3 1 "RMS(OBS, PRED)" HA 109 0.269 1
18 1 3 1 "RMS(OBS, PRED)" N 99 2.339 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 99 0.484 1
23 1 4 1 "RMS(OBS, PRED)" HA 109 0.249 1
24 1 4 1 "RMS(OBS, PRED)" N 99 2.255 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 99 0.513 1
29 1 5 1 "RMS(OBS, PRED)" HA 109 0.267 1
30 1 5 1 "RMS(OBS, PRED)" N 99 2.405 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 99 0.529 1
35 1 6 1 "RMS(OBS, PRED)" HA 109 0.238 1
36 1 6 1 "RMS(OBS, PRED)" N 99 2.508 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 99 0.511 1
41 1 7 1 "RMS(OBS, PRED)" HA 109 0.261 1
42 1 7 1 "RMS(OBS, PRED)" N 99 2.474 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 99 0.492 1
47 1 8 1 "RMS(OBS, PRED)" HA 109 0.227 1
48 1 8 1 "RMS(OBS, PRED)" N 99 2.622 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 99 0.480 1
53 1 9 1 "RMS(OBS, PRED)" HA 109 0.272 1
54 1 9 1 "RMS(OBS, PRED)" N 99 2.552 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 99 0.481 1
59 1 10 1 "RMS(OBS, PRED)" HA 109 0.279 1
60 1 10 1 "RMS(OBS, PRED)" N 99 2.789 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 0 0.000 1
63 1 11 1 "RMS(OBS, PRED)" CB 0 0.000 1
64 1 11 1 "RMS(OBS, PRED)" H 99 0.523 1
65 1 11 1 "RMS(OBS, PRED)" HA 109 0.256 1
66 1 11 1 "RMS(OBS, PRED)" N 99 2.582 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 0 0.000 1
69 1 12 1 "RMS(OBS, PRED)" CB 0 0.000 1
70 1 12 1 "RMS(OBS, PRED)" H 99 0.536 1
71 1 12 1 "RMS(OBS, PRED)" HA 109 0.261 1
72 1 12 1 "RMS(OBS, PRED)" N 99 2.344 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 0 0.000 1
75 1 13 1 "RMS(OBS, PRED)" CB 0 0.000 1
76 1 13 1 "RMS(OBS, PRED)" H 99 0.511 1
77 1 13 1 "RMS(OBS, PRED)" HA 109 0.260 1
78 1 13 1 "RMS(OBS, PRED)" N 99 2.507 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 0 0.000 1
81 1 14 1 "RMS(OBS, PRED)" CB 0 0.000 1
82 1 14 1 "RMS(OBS, PRED)" H 99 0.485 1
83 1 14 1 "RMS(OBS, PRED)" HA 109 0.279 1
84 1 14 1 "RMS(OBS, PRED)" N 99 2.355 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 0 0.000 1
87 1 15 1 "RMS(OBS, PRED)" CB 0 0.000 1
88 1 15 1 "RMS(OBS, PRED)" H 99 0.522 1
89 1 15 1 "RMS(OBS, PRED)" HA 109 0.249 1
90 1 15 1 "RMS(OBS, PRED)" N 99 2.388 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 0 0.000 1
93 1 16 1 "RMS(OBS, PRED)" CB 0 0.000 1
94 1 16 1 "RMS(OBS, PRED)" H 99 0.482 1
95 1 16 1 "RMS(OBS, PRED)" HA 109 0.262 1
96 1 16 1 "RMS(OBS, PRED)" N 99 2.254 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 0 0.000 1
99 1 17 1 "RMS(OBS, PRED)" CB 0 0.000 1
100 1 17 1 "RMS(OBS, PRED)" H 99 0.494 1
101 1 17 1 "RMS(OBS, PRED)" HA 109 0.247 1
102 1 17 1 "RMS(OBS, PRED)" N 99 2.426 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 0 0.000 1
105 1 18 1 "RMS(OBS, PRED)" CB 0 0.000 1
106 1 18 1 "RMS(OBS, PRED)" H 99 0.492 1
107 1 18 1 "RMS(OBS, PRED)" HA 109 0.279 1
108 1 18 1 "RMS(OBS, PRED)" N 99 2.398 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 0 0.000 1
111 1 19 1 "RMS(OBS, PRED)" CB 0 0.000 1
112 1 19 1 "RMS(OBS, PRED)" H 99 0.468 1
113 1 19 1 "RMS(OBS, PRED)" HA 109 0.283 1
114 1 19 1 "RMS(OBS, PRED)" N 99 2.566 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 0 0.000 1
117 1 20 1 "RMS(OBS, PRED)" CB 0 0.000 1
118 1 20 1 "RMS(OBS, PRED)" H 99 0.494 1
119 1 20 1 "RMS(OBS, PRED)" HA 109 0.252 1
120 1 20 1 "RMS(OBS, PRED)" N 99 2.734 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 6 . 1 1 A 2 2 GLU HA H 2 4.671 4.770 -0.099 2
1 11 . 1 1 A 3 3 PRO HA H 3 4.473 4.575 -0.102 2
1 18 . 1 1 A 4 4 ILE H H 4 8.270 8.437 -0.167 2
1 19 . 1 1 A 4 4 ILE HA H 4 4.156 4.272 -0.116 2
1 29 . 1 1 A 4 4 ILE N N 4 121.501 122.185 -0.684 2
1 30 . 1 1 A 5 5 GLY H H 5 8.516 8.265 0.251 2
1 31 . 1 1 A 5 5 GLY HA2 H 5 3.952 4.087 -0.135 2
1 32 . 1 1 A 5 5 GLY HA3 H 5 3.992 4.087 -0.095 2
1 33 . 1 1 A 5 5 GLY N N 5 112.831 112.063 0.768 2
1 34 . 1 1 A 6 6 ARG H H 6 8.197 8.267 -0.070 2
1 35 . 1 1 A 6 6 ARG HA H 6 4.383 4.639 -0.256 2
1 42 . 1 1 A 6 6 ARG N N 6 121.014 121.775 -0.761 2
1 43 . 1 1 A 7 7 SER H H 7 8.400 8.501 -0.101 2
1 44 . 1 1 A 7 7 SER HA H 7 4.472 4.623 -0.151 2
1 47 . 1 1 A 7 7 SER N N 7 116.921 118.657 -1.736 2
1 48 . 1 1 A 8 8 LEU H H 8 8.376 8.276 0.100 2
1 49 . 1 1 A 8 8 LEU HA H 8 4.390 4.346 0.044 2
1 59 . 1 1 A 8 8 LEU N N 8 124.394 125.012 -0.618 2
1 60 . 1 1 A 9 9 GLN H H 9 8.292 7.966 0.326 2
1 61 . 1 1 A 9 9 GLN HA H 9 4.323 4.578 -0.255 2
1 68 . 1 1 A 9 9 GLN N N 9 120.593 118.297 2.296 2
1 70 . 1 1 A 10 10 GLY H H 10 8.417 8.280 0.137 2
1 71 . 1 1 A 10 10 GLY HA2 H 10 3.992 4.077 -0.085 2
1 72 . 1 1 A 10 10 GLY HA3 H 10 3.992 4.077 -0.085 2
1 73 . 1 1 A 10 10 GLY N N 10 110.179 108.770 1.409 2
1 74 . 1 1 A 11 11 VAL H H 11 8.040 8.246 -0.206 2
1 75 . 1 1 A 11 11 VAL HA H 11 4.208 4.297 -0.089 2
1 83 . 1 1 A 11 11 VAL N N 11 119.334 121.045 -1.711 2
1 84 . 1 1 A 12 12 THR H H 12 8.210 8.475 -0.265 2
1 85 . 1 1 A 12 12 THR HA H 12 4.285 4.501 -0.216 2
1 90 . 1 1 A 12 12 THR N N 12 117.160 119.001 -1.841 2
1 91 . 1 1 A 13 13 GLY H H 13 8.388 8.067 0.321 2
1 92 . 1 1 A 13 13 GLY HA2 H 13 3.988 4.066 -0.078 2
1 93 . 1 1 A 13 13 GLY HA3 H 13 4.027 4.066 -0.039 2
1 94 . 1 1 A 13 13 GLY N N 13 111.151 110.849 0.302 2
1 95 . 1 1 A 14 14 ARG H H 14 8.169 8.483 -0.314 2
1 96 . 1 1 A 14 14 ARG HA H 14 4.668 4.934 -0.266 2
1 103 . 1 1 A 14 14 ARG N N 14 121.499 121.884 -0.385 2
1 104 . 1 1 A 15 15 PRO HA H 15 4.426 4.617 -0.191 2
1 111 . 1 1 A 16 16 ASP H H 16 8.475 8.814 -0.339 2
1 112 . 1 1 A 16 16 ASP HA H 16 4.556 4.354 0.202 2
1 115 . 1 1 A 16 16 ASP N N 16 119.586 123.769 -4.183 2
1 116 . 1 1 A 17 17 PHE H H 17 8.179 8.336 -0.157 2
1 117 . 1 1 A 17 17 PHE HA H 17 4.366 4.088 0.278 2
1 125 . 1 1 A 17 17 PHE N N 17 121.747 121.689 0.058 2
1 126 . 1 1 A 18 18 GLN H H 18 8.200 8.386 -0.186 2
1 127 . 1 1 A 18 18 GLN HA H 18 3.998 3.907 0.091 2
1 134 . 1 1 A 18 18 GLN N N 18 119.816 117.558 2.258 2
1 136 . 1 1 A 19 19 LYS H H 19 7.986 7.619 0.367 2
1 137 . 1 1 A 19 19 LYS HA H 19 4.126 4.089 0.037 2
1 146 . 1 1 A 19 19 LYS N N 19 120.081 119.433 0.648 2
1 147 . 1 1 A 20 20 ARG H H 20 7.918 7.981 -0.063 2
1 148 . 1 1 A 20 20 ARG HA H 20 4.125 4.009 0.116 2
1 155 . 1 1 A 20 20 ARG N N 20 118.851 119.147 -0.296 2
1 156 . 1 1 A 21 21 LEU H H 21 7.954 7.941 0.013 2
1 157 . 1 1 A 21 21 LEU HA H 21 4.127 3.797 0.330 2
1 167 . 1 1 A 21 21 LEU N N 21 121.258 121.653 -0.395 2
1 168 . 1 1 A 22 22 GLU H H 22 8.169 8.386 -0.217 2
1 169 . 1 1 A 22 22 GLU HA H 22 3.981 3.958 0.023 2
1 174 . 1 1 A 22 22 GLU N N 22 119.093 118.149 0.944 2
1 175 . 1 1 A 23 23 GLN H H 23 8.015 7.919 0.096 2
1 176 . 1 1 A 23 23 GLN HA H 23 4.174 4.047 0.127 2
1 183 . 1 1 A 23 23 GLN N N 23 119.335 120.060 -0.725 2
1 185 . 1 1 A 24 24 MET H H 24 8.209 8.546 -0.337 2
1 186 . 1 1 A 24 24 MET HA H 24 4.005 4.024 -0.019 2
1 194 . 1 1 A 24 24 MET N N 24 119.750 118.420 1.330 2
1 195 . 1 1 A 25 25 LYS H H 25 8.387 7.945 0.442 2
1 196 . 1 1 A 25 25 LYS HA H 25 3.797 3.916 -0.119 2
1 205 . 1 1 A 25 25 LYS N N 25 119.097 120.415 -1.318 2
1 206 . 1 1 A 26 26 GLU H H 26 7.936 8.201 -0.265 2
1 207 . 1 1 A 26 26 GLU HA H 26 3.989 4.036 -0.047 2
1 212 . 1 1 A 26 26 GLU N N 26 117.895 118.594 -0.699 2
1 213 . 1 1 A 27 27 LYS H H 27 7.608 7.908 -0.300 2
1 214 . 1 1 A 27 27 LYS HA H 27 4.027 4.097 -0.070 2
1 223 . 1 1 A 27 27 LYS N N 27 117.438 118.875 -1.437 2
1 224 . 1 1 A 28 28 VAL H H 28 8.285 8.185 0.100 2
1 225 . 1 1 A 28 28 VAL HA H 28 3.813 3.689 0.124 2
1 233 . 1 1 A 28 28 VAL N N 28 118.134 119.582 -1.448 2
1 234 . 1 1 A 29 29 MET H H 29 8.030 8.012 0.018 2
1 235 . 1 1 A 29 29 MET HA H 29 4.422 4.438 -0.016 2
1 243 . 1 1 A 29 29 MET N N 29 112.840 117.910 -5.070 2
1 244 . 1 1 A 30 30 LYS H H 30 7.320 7.639 -0.319 2
1 245 . 1 1 A 30 30 LYS HA H 30 4.304 4.447 -0.143 2
1 254 . 1 1 A 30 30 LYS N N 30 116.038 117.505 -1.467 2
1 255 . 1 1 A 31 31 ASP H H 31 7.495 7.462 0.033 2
1 256 . 1 1 A 31 31 ASP HA H 31 4.594 4.647 -0.053 2
1 259 . 1 1 A 31 31 ASP N N 31 122.944 121.451 1.493 2
1 260 . 1 1 A 32 32 GLN H H 32 9.076 8.813 0.263 2
1 261 . 1 1 A 32 32 GLN HA H 32 4.029 4.016 0.013 2
1 268 . 1 1 A 32 32 GLN N N 32 126.326 125.197 1.129 2
1 270 . 1 1 A 33 33 ASP H H 33 8.456 7.947 0.509 2
1 271 . 1 1 A 33 33 ASP HA H 33 4.671 4.561 0.110 2
1 274 . 1 1 A 33 33 ASP N N 33 122.586 120.234 2.352 2
1 275 . 1 1 A 34 34 VAL H H 34 9.317 8.411 0.906 2
1 276 . 1 1 A 34 34 VAL HA H 34 3.521 3.572 -0.051 2
1 284 . 1 1 A 34 34 VAL N N 34 124.689 120.542 4.147 2
1 285 . 1 1 A 35 35 GLN H H 35 8.633 8.171 0.462 2
1 286 . 1 1 A 35 35 GLN HA H 35 3.901 4.054 -0.153 2
1 293 . 1 1 A 35 35 GLN N N 35 117.209 118.851 -1.642 2
1 295 . 1 1 A 36 36 ALA H H 36 7.935 7.786 0.149 2
1 296 . 1 1 A 36 36 ALA HA H 36 4.211 4.153 0.058 2
1 300 . 1 1 A 36 36 ALA N N 36 121.503 122.488 -0.985 2
1 301 . 1 1 A 37 37 PHE H H 37 7.862 8.067 -0.205 2
1 302 . 1 1 A 37 37 PHE HA H 37 4.357 4.341 0.016 2
1 310 . 1 1 A 37 37 PHE N N 37 121.040 119.763 1.277 2
1 311 . 1 1 A 38 38 LEU H H 38 8.848 8.736 0.112 2
1 312 . 1 1 A 38 38 LEU HA H 38 3.581 3.697 -0.116 2
1 322 . 1 1 A 38 38 LEU N N 38 120.561 119.544 1.017 2
1 323 . 1 1 A 39 39 LYS H H 39 7.885 8.227 -0.342 2
1 324 . 1 1 A 39 39 LYS HA H 39 4.142 4.042 0.100 2
1 333 . 1 1 A 39 39 LYS N N 39 118.613 118.798 -0.185 2
1 334 . 1 1 A 40 40 GLU H H 40 8.134 7.631 0.503 2
1 335 . 1 1 A 40 40 GLU HA H 40 4.054 4.049 0.005 2
1 340 . 1 1 A 40 40 GLU N N 40 119.387 119.497 -0.110 2
1 341 . 1 1 A 41 41 ASN H H 41 7.089 7.454 -0.365 2
1 342 . 1 1 A 41 41 ASN HA H 41 4.933 4.946 -0.013 2
1 347 . 1 1 A 41 41 ASN N N 41 114.032 115.809 -1.777 2
1 349 . 1 1 A 42 42 GLU H H 42 7.086 8.213 -1.127 2
1 350 . 1 1 A 42 42 GLU HA H 42 3.957 3.988 -0.031 2
1 355 . 1 1 A 42 42 GLU N N 42 121.023 119.171 1.852 2
1 356 . 1 1 A 43 43 GLU H H 43 8.648 7.729 0.919 2
1 357 . 1 1 A 43 43 GLU HA H 43 4.207 4.095 0.112 2
1 362 . 1 1 A 43 43 GLU N N 43 115.965 120.334 -4.369 2
1 363 . 1 1 A 44 44 VAL H H 44 7.526 7.396 0.130 2
1 364 . 1 1 A 44 44 VAL HA H 44 4.445 4.086 0.359 2
1 372 . 1 1 A 44 44 VAL N N 44 110.987 117.198 -6.211 2
1 373 . 1 1 A 45 45 ILE H H 45 7.246 7.795 -0.549 2
1 374 . 1 1 A 45 45 ILE HA H 45 4.531 4.099 0.431 2
1 384 . 1 1 A 45 45 ILE N N 45 119.815 119.525 0.291 2
1 385 . 1 1 A 46 46 ASP H H 46 7.351 8.413 -1.062 2
1 386 . 1 1 A 46 46 ASP HA H 46 4.958 4.976 -0.018 2
1 389 . 1 1 A 46 46 ASP N N 46 124.659 126.180 -1.521 2
1 390 . 1 1 A 47 47 GLN H H 47 8.504 8.898 -0.394 2
1 391 . 1 1 A 47 47 GLN HA H 47 3.949 3.930 0.019 2
1 398 . 1 1 A 47 47 GLN N N 47 117.654 121.547 -3.893 2
1 400 . 1 1 A 48 48 LYS H H 48 8.030 7.968 0.062 2
1 401 . 1 1 A 48 48 LYS HA H 48 4.132 4.058 0.074 2
1 410 . 1 1 A 48 48 LYS N N 48 119.335 119.557 -0.222 2
1 411 . 1 1 A 49 49 MET H H 49 8.250 8.213 0.037 2
1 412 . 1 1 A 49 49 MET HA H 49 4.132 4.197 -0.066 2
1 420 . 1 1 A 49 49 MET N N 49 120.061 118.829 1.232 2
1 421 . 1 1 A 50 50 ILE H H 50 7.726 7.924 -0.198 2
1 422 . 1 1 A 50 50 ILE HA H 50 3.379 3.625 -0.246 2
1 432 . 1 1 A 50 50 ILE N N 50 120.912 119.886 1.026 2
1 433 . 1 1 A 51 51 GLU H H 51 8.044 8.070 -0.026 2
1 434 . 1 1 A 51 51 GLU HA H 51 3.906 3.973 -0.067 2
1 439 . 1 1 A 51 51 GLU N N 51 117.413 119.108 -1.695 2
1 440 . 1 1 A 52 52 LYS H H 52 8.249 8.133 0.116 2
1 441 . 1 1 A 52 52 LYS HA H 52 4.318 4.109 0.209 2
1 450 . 1 1 A 52 52 LYS N N 52 117.183 120.629 -3.446 2
1 451 . 1 1 A 53 53 SER H H 53 7.664 7.818 -0.154 2
1 452 . 1 1 A 53 53 SER HA H 53 5.067 4.835 0.232 2
1 455 . 1 1 A 53 53 SER N N 53 113.070 113.484 -0.414 2
1 456 . 1 1 A 54 54 LEU H H 54 7.375 7.531 -0.156 2
1 457 . 1 1 A 54 54 LEU HA H 54 3.980 3.995 -0.015 2
1 467 . 1 1 A 54 54 LEU N N 54 123.828 123.336 0.492 2
1 468 . 1 1 A 55 55 ASN H H 55 8.705 8.685 0.020 2
1 469 . 1 1 A 55 55 ASN HA H 55 4.434 4.490 -0.056 2
1 474 . 1 1 A 55 55 ASN N N 55 114.672 116.288 -1.616 2
1 476 . 1 1 A 56 56 LYS H H 56 7.685 7.799 -0.114 2
1 477 . 1 1 A 56 56 LYS HA H 56 4.289 4.113 0.176 2
1 486 . 1 1 A 56 56 LYS N N 56 121.417 119.821 1.596 2
1 487 . 1 1 A 57 57 LEU H H 57 8.120 8.506 -0.386 2
1 488 . 1 1 A 57 57 LEU HA H 57 3.948 3.989 -0.041 2
1 498 . 1 1 A 57 57 LEU N N 57 118.616 119.442 -0.826 2
1 499 . 1 1 A 58 58 TYR H H 58 8.659 8.705 -0.046 2
1 500 . 1 1 A 58 58 TYR HA H 58 4.124 4.078 0.046 2
1 507 . 1 1 A 58 58 TYR N N 58 119.812 119.355 0.457 2
1 508 . 1 1 A 59 59 GLU H H 59 7.999 8.480 -0.481 2
1 509 . 1 1 A 59 59 GLU HA H 59 3.945 3.985 -0.040 2
1 514 . 1 1 A 59 59 GLU N N 59 118.851 119.421 -0.570 2
1 515 . 1 1 A 60 60 TYR H H 60 8.132 8.283 -0.151 2
1 516 . 1 1 A 60 60 TYR HA H 60 4.056 4.106 -0.050 2
1 523 . 1 1 A 60 60 TYR N N 60 118.616 120.938 -2.321 2
1 524 . 1 1 A 61 61 ILE H H 61 7.985 7.697 0.288 2
1 525 . 1 1 A 61 61 ILE HA H 61 3.638 3.549 0.089 2
1 535 . 1 1 A 61 61 ILE N N 61 115.242 117.899 -2.657 2
1 536 . 1 1 A 62 62 GLU H H 62 7.409 7.748 -0.339 2
1 537 . 1 1 A 62 62 GLU HA H 62 4.056 4.046 0.010 2
1 542 . 1 1 A 62 62 GLU N N 62 118.370 120.363 -1.993 2
1 543 . 1 1 A 63 63 GLN H H 63 7.320 7.289 0.031 2
1 544 . 1 1 A 63 63 GLN HA H 63 4.583 4.373 0.210 2
1 551 . 1 1 A 63 63 GLN N N 63 118.398 119.064 -0.666 2
1 553 . 1 1 A 64 64 SER H H 64 8.134 8.576 -0.442 2
1 554 . 1 1 A 64 64 SER HA H 64 4.122 4.335 -0.213 2
1 557 . 1 1 A 64 64 SER N N 64 115.490 116.389 -0.899 2
1 558 . 1 1 A 65 65 LYS H H 65 8.663 8.370 0.293 2
1 559 . 1 1 A 65 65 LYS HA H 65 4.132 3.933 0.199 2
1 562 . 1 1 A 65 65 LYS N N 65 122.473 125.693 -3.220 2
1 563 . 1 1 A 66 66 ASN H H 66 8.010 7.668 0.342 2
1 564 . 1 1 A 66 66 ASN HA H 66 3.809 4.567 -0.758 2
1 569 . 1 1 A 66 66 ASN N N 66 117.420 115.066 2.354 2
1 571 . 1 1 A 67 67 CYS H H 67 7.649 8.174 -0.525 2
1 572 . 1 1 A 67 67 CYS HA H 67 5.108 4.880 0.228 2
1 575 . 1 1 A 67 67 CYS N N 67 116.684 116.344 0.340 2
1 576 . 1 1 A 68 68 SER H H 68 8.891 9.111 -0.221 2
1 577 . 1 1 A 68 68 SER HA H 68 4.379 4.461 -0.082 2
1 580 . 1 1 A 68 68 SER N N 68 115.241 118.463 -3.222 2
1 581 . 1 1 A 69 69 TYR H H 69 9.864 7.944 1.920 2
1 582 . 1 1 A 69 69 TYR HA H 69 4.569 4.240 0.329 2
1 589 . 1 1 A 69 69 TYR N N 69 124.277 122.330 1.947 2
1 590 . 1 1 A 70 70 CYS H H 70 7.841 8.079 -0.238 2
1 591 . 1 1 A 70 70 CYS HA H 70 4.920 4.746 0.174 2
1 594 . 1 1 A 70 70 CYS N N 70 115.300 114.587 0.713 2
1 595 . 1 1 A 71 71 SER H H 71 8.032 7.982 0.050 2
1 596 . 1 1 A 71 71 SER HA H 71 4.673 4.775 -0.102 2
1 599 . 1 1 A 71 71 SER N N 71 119.327 115.483 3.844 2
1 600 . 1 1 A 72 72 GLU H H 72 8.701 8.773 -0.072 2
1 601 . 1 1 A 72 72 GLU HA H 72 4.459 4.355 0.104 2
1 606 . 1 1 A 72 72 GLU N N 72 122.947 123.355 -0.408 2
1 607 . 1 1 A 73 73 ASP H H 73 8.053 7.666 0.387 2
1 608 . 1 1 A 73 73 ASP HA H 73 4.529 4.639 -0.110 2
1 611 . 1 1 A 73 73 ASP N N 73 120.929 121.632 -0.703 2
1 612 . 1 1 A 74 74 GLU H H 74 8.754 8.842 -0.088 2
1 613 . 1 1 A 74 74 GLU HA H 74 4.251 4.226 0.025 2
1 618 . 1 1 A 74 74 GLU N N 74 122.241 124.606 -2.365 2
1 619 . 1 1 A 75 75 ASN H H 75 8.564 7.937 0.627 2
1 620 . 1 1 A 75 75 ASN HA H 75 4.803 4.734 0.069 2
1 625 . 1 1 A 75 75 ASN N N 75 117.681 116.650 1.031 2
1 627 . 1 1 A 76 76 CYS H H 76 7.923 7.881 0.042 2
1 628 . 1 1 A 76 76 CYS HA H 76 4.377 4.628 -0.251 2
1 631 . 1 1 A 76 76 CYS N N 76 120.055 119.408 0.647 2
1 632 . 1 1 A 77 77 ASN H H 77 8.717 8.608 0.109 2
1 633 . 1 1 A 77 77 ASN HA H 77 4.759 4.952 -0.193 2
1 638 . 1 1 A 77 77 ASN N N 77 122.469 122.966 -0.497 2
1 640 . 1 1 A 78 78 ASN H H 78 8.564 8.223 0.341 2
1 641 . 1 1 A 78 78 ASN HA H 78 4.772 5.014 -0.242 2
1 646 . 1 1 A 78 78 ASN N N 78 121.986 120.703 1.283 2
1 648 . 1 1 A 79 79 LEU H H 79 8.160 8.557 -0.397 2
1 649 . 1 1 A 79 79 LEU HA H 79 4.282 4.140 0.142 2
1 659 . 1 1 A 79 79 LEU N N 79 122.221 124.219 -1.998 2
1 660 . 1 1 A 80 80 LEU H H 80 8.034 7.666 0.368 2
1 661 . 1 1 A 80 80 LEU HA H 80 4.391 4.308 0.083 2
1 671 . 1 1 A 80 80 LEU N N 80 121.024 119.530 1.494 2
1 672 . 1 1 A 81 81 GLU H H 81 8.105 8.560 -0.455 2
1 673 . 1 1 A 81 81 GLU HA H 81 4.298 4.356 -0.058 2
1 678 . 1 1 A 81 81 GLU N N 81 122.466 124.568 -2.102 2
1 679 . 1 1 A 82 82 GLY H H 82 8.274 8.850 -0.576 2
1 680 . 1 1 A 82 82 GLY HA2 H 82 3.852 3.685 0.167 2
1 681 . 1 1 A 82 82 GLY HA3 H 82 3.988 3.801 0.187 2
1 682 . 1 1 A 82 82 GLY N N 82 112.347 113.960 -1.613 2
1 683 . 1 1 A 83 83 TYR H H 83 7.850 7.912 -0.063 2
1 684 . 1 1 A 83 83 TYR HA H 83 5.113 5.284 -0.171 2
1 691 . 1 1 A 83 83 TYR N N 83 118.873 119.160 -0.287 2
1 692 . 1 1 A 84 84 HIS H H 84 9.473 8.998 0.475 2
1 693 . 1 1 A 84 84 HIS HA H 84 5.117 4.859 0.258 2
1 698 . 1 1 A 84 84 HIS N N 84 120.297 118.350 1.947 2
1 699 . 1 1 A 85 85 PRO HA H 85 4.678 4.181 0.497 2
1 706 . 1 1 A 86 86 LYS H H 86 9.027 8.917 0.110 2
1 707 . 1 1 A 86 86 LYS HA H 86 4.709 5.022 -0.313 2
1 716 . 1 1 A 86 86 LYS N N 86 119.573 119.450 0.123 2
1 717 . 1 1 A 87 87 LEU H H 87 7.785 7.977 -0.192 2
1 718 . 1 1 A 87 87 LEU HA H 87 4.414 4.282 0.132 2
1 727 . 1 1 A 87 87 LEU N N 87 123.673 124.613 -0.940 2
1 728 . 1 1 A 88 88 VAL H H 88 8.443 8.919 -0.476 2
1 729 . 1 1 A 88 88 VAL HA H 88 4.616 4.990 -0.374 2
1 737 . 1 1 A 88 88 VAL N N 88 115.720 118.168 -2.448 2
1 738 . 1 1 A 89 89 VAL H H 89 8.621 9.054 -0.433 2
1 739 . 1 1 A 89 89 VAL HA H 89 4.471 4.774 -0.303 2
1 747 . 1 1 A 89 89 VAL N N 89 122.477 124.335 -1.858 2
1 748 . 1 1 A 90 90 ASN H H 90 8.721 9.184 -0.462 2
1 749 . 1 1 A 90 90 ASN HA H 90 5.020 5.074 -0.054 2
1 754 . 1 1 A 90 90 ASN N N 90 127.524 127.084 0.440 2
1 756 . 1 1 A 91 91 GLY H H 91 9.006 8.920 0.086 2
1 757 . 1 1 A 91 91 GLY HA2 H 91 3.639 3.872 -0.233 2
1 758 . 1 1 A 91 91 GLY HA3 H 91 3.993 3.873 0.120 2
1 759 . 1 1 A 91 91 GLY N N 91 115.517 115.754 -0.237 2
1 760 . 1 1 A 92 92 ARG H H 92 8.675 8.601 0.074 2
1 761 . 1 1 A 92 92 ARG HA H 92 4.530 4.403 0.127 2
1 768 . 1 1 A 92 92 ARG N N 92 125.836 126.477 -0.641 2
1 769 . 1 1 A 93 93 SER H H 93 7.875 7.633 0.242 2
1 770 . 1 1 A 93 93 SER HA H 93 4.707 5.070 -0.363 2
1 773 . 1 1 A 93 93 SER N N 93 114.996 113.962 1.034 2
1 774 . 1 1 A 94 94 ILE H H 94 7.943 8.991 -1.048 2
1 775 . 1 1 A 94 94 ILE HA H 94 4.694 4.965 -0.271 2
1 785 . 1 1 A 94 94 ILE N N 94 123.668 124.249 -0.581 2
1 786 . 1 1 A 95 95 ASP H H 95 8.975 9.364 -0.390 2
1 787 . 1 1 A 95 95 ASP HA H 95 4.995 5.325 -0.330 2
1 790 . 1 1 A 95 95 ASP N N 95 128.002 127.058 0.944 2
1 791 . 1 1 A 96 96 ILE H H 96 8.672 8.633 0.039 2
1 792 . 1 1 A 96 96 ILE HA H 96 4.669 4.883 -0.214 2
1 802 . 1 1 A 96 96 ILE N N 96 118.150 120.823 -2.673 2
1 803 . 1 1 A 97 97 GLU H H 97 8.990 9.026 -0.036 2
1 804 . 1 1 A 97 97 GLU HA H 97 4.604 5.000 -0.396 2
1 809 . 1 1 A 97 97 GLU N N 97 128.072 126.879 1.193 2
1 810 . 1 1 A 98 98 TYR H H 98 8.544 8.808 -0.264 2
1 811 . 1 1 A 98 98 TYR HA H 98 5.662 5.698 -0.036 2
1 818 . 1 1 A 98 98 TYR N N 98 118.130 118.453 -0.323 2
1 819 . 1 1 A 99 99 TYR H H 99 9.389 8.954 0.435 2
1 820 . 1 1 A 99 99 TYR HA H 99 5.258 5.803 -0.545 2
1 827 . 1 1 A 99 99 TYR N N 99 121.021 120.339 0.682 2
1 828 . 1 1 A 100 100 GLU H H 100 8.942 8.602 0.339 2
1 829 . 1 1 A 100 100 GLU HA H 100 3.495 4.063 -0.568 2
1 834 . 1 1 A 100 100 GLU N N 100 122.954 120.672 2.282 2
1 835 . 1 1 A 101 101 CYS H H 101 7.742 8.761 -1.019 2
1 836 . 1 1 A 101 101 CYS HA H 101 3.342 4.204 -0.862 2
1 839 . 1 1 A 101 101 CYS N N 101 125.649 123.944 1.705 2
1 840 . 1 1 A 102 102 PRO HA H 102 4.415 4.417 -0.002 2
1 847 . 1 1 A 103 103 VAL H H 103 8.493 7.507 0.986 2
1 848 . 1 1 A 103 103 VAL HA H 103 3.990 3.926 0.064 2
1 856 . 1 1 A 103 103 VAL N N 103 121.026 116.769 4.257 2
1 857 . 1 1 A 104 104 LYS H H 104 7.585 7.959 -0.374 2
1 858 . 1 1 A 104 104 LYS HA H 104 3.972 4.162 -0.190 2
1 867 . 1 1 A 104 104 LYS N N 104 122.941 120.528 2.413 2
1 868 . 1 1 A 105 105 ARG H H 105 7.848 7.626 0.222 2
1 869 . 1 1 A 105 105 ARG HA H 105 4.276 4.546 -0.270 2
1 876 . 1 1 A 105 105 ARG N N 105 121.986 118.129 3.857 2
stop_
save_