data_15931_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15931
_Entry.PDB_ID 2K7V
_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 1 . 1 1 1 A 4 4 GLU H H 4 8.653 8.596 0.057 1
1 2 . 1 1 1 A 4 4 GLU HA H 4 4.327 4.345 -0.018 1
1 7 . 1 1 1 A 4 4 GLU N N 4 123.651 125.516 -1.865 1
1 8 . 1 1 1 A 5 5 VAL H H 5 8.248 8.515 -0.267 1
1 9 . 1 1 1 A 5 5 VAL HA H 5 4.140 4.686 -0.546 1
1 17 . 1 1 1 A 5 5 VAL N N 5 120.477 120.488 -0.011 1
1 18 . 1 1 1 A 6 6 ASN H H 6 8.569 8.591 -0.022 1
1 19 . 1 1 1 A 6 6 ASN HA H 6 4.757 4.620 0.137 1
1 22 . 1 1 1 A 6 6 ASN N N 6 121.940 124.055 -2.115 1
1 23 . 1 1 1 A 7 7 VAL H H 7 8.105 8.234 -0.129 1
1 24 . 1 1 1 A 7 7 VAL HA H 7 4.449 4.428 0.021 1
1 32 . 1 1 1 A 7 7 VAL N N 7 121.599 118.151 3.448 1
1 34 . 1 1 1 A 9 9 ASP H H 9 8.358 8.803 -0.445 1
1 35 . 1 1 1 A 9 9 ASP HA H 9 4.568 4.369 0.199 1
1 38 . 1 1 1 A 9 9 ASP N N 9 120.191 120.888 -0.697 1
1 91 . 1 1 1 A 16 16 VAL H H 16 8.199 7.671 0.528 1
1 92 . 1 1 1 A 16 16 VAL HA H 16 4.079 4.341 -0.262 1
1 100 . 1 1 1 A 16 16 VAL N N 16 121.212 120.741 0.471 1
1 101 . 1 1 1 A 17 17 MET H H 17 8.406 8.779 -0.373 1
1 102 . 1 1 1 A 17 17 MET HA H 17 4.519 5.081 -0.562 1
1 107 . 1 1 1 A 17 17 MET N N 17 124.123 116.211 7.912 1
1 108 . 1 1 1 A 18 18 VAL H H 18 8.172 8.716 -0.544 1
1 109 . 1 1 1 A 18 18 VAL HA H 18 4.091 5.086 -0.995 1
1 117 . 1 1 1 A 18 18 VAL N N 18 122.154 115.082 7.072 1
1 118 . 1 1 1 A 19 19 LYS H H 19 8.454 8.586 -0.132 1
1 119 . 1 1 1 A 19 19 LYS HA H 19 4.412 4.714 -0.302 1
1 124 . 1 1 1 A 19 19 LYS N N 19 125.694 124.489 1.205 1
1 125 . 1 1 1 A 20 20 VAL H H 20 8.293 7.569 0.724 1
1 126 . 1 1 1 A 20 20 VAL HA H 20 4.105 3.554 0.551 1
1 134 . 1 1 1 A 20 20 VAL N N 20 122.063 120.167 1.896 1
1 135 . 1 1 1 A 21 21 GLY H H 21 8.519 7.920 0.599 1
1 138 . 1 1 1 A 21 21 GLY N N 21 112.272 118.936 -6.664 1
1 139 . 1 1 1 A 22 22 ASP H H 22 8.319 8.106 0.213 1
1 140 . 1 1 1 A 22 22 ASP HA H 22 4.627 4.356 0.271 1
1 143 . 1 1 1 A 22 22 ASP N N 22 120.284 118.768 1.516 1
1 144 . 1 1 1 A 24 24 VAL H H 24 8.141 7.784 0.357 1
1 145 . 1 1 1 A 24 24 VAL HA H 24 4.077 3.858 0.219 1
1 153 . 1 1 1 A 24 24 VAL N N 24 121.156 119.068 2.088 1
1 154 . 1 1 1 A 25 25 ALA H H 25 8.376 7.956 0.420 1
1 159 . 1 1 1 A 25 25 ALA N N 25 127.378 109.311 18.067 1
1 160 . 1 1 1 A 26 26 ALA H H 26 8.260 7.667 0.593 1
1 161 . 1 1 1 A 26 26 ALA HA H 26 4.302 4.622 -0.320 1
1 165 . 1 1 1 A 26 26 ALA N N 26 123.214 121.687 1.527 1
1 166 . 1 1 1 A 27 27 GLU H H 27 8.387 8.581 -0.194 1
1 167 . 1 1 1 A 27 27 GLU HA H 27 4.253 5.089 -0.836 1
1 172 . 1 1 1 A 27 27 GLU N N 27 119.491 124.920 -5.429 1
1 173 . 1 1 1 A 28 28 GLN H H 28 8.359 8.592 -0.233 1
1 174 . 1 1 1 A 28 28 GLN HA H 28 4.343 4.531 -0.188 1
1 179 . 1 1 1 A 28 28 GLN N N 28 120.668 120.789 -0.121 1
1 180 . 1 1 1 A 29 29 SER H H 29 8.338 7.514 0.824 1
1 181 . 1 1 1 A 29 29 SER HA H 29 4.444 4.184 0.260 1
1 184 . 1 1 1 A 29 29 SER N N 29 116.599 126.170 -9.571 1
1 185 . 1 1 1 A 30 30 LEU H H 30 8.242 8.395 -0.153 1
1 186 . 1 1 1 A 30 30 LEU HA H 30 4.407 4.586 -0.179 1
1 195 . 1 1 1 A 30 30 LEU N N 30 123.757 125.348 -1.591 1
1 196 . 1 1 1 A 31 31 ILE H H 31 8.099 9.274 -1.175 1
1 197 . 1 1 1 A 31 31 ILE HA H 31 4.264 4.088 0.176 1
1 207 . 1 1 1 A 31 31 ILE N N 31 121.487 120.800 0.687 1
1 208 . 1 1 1 A 32 32 THR H H 32 8.295 8.878 -0.583 1
1 209 . 1 1 1 A 32 32 THR HA H 32 4.420 3.948 0.472 1
1 214 . 1 1 1 A 32 32 THR N N 32 119.296 118.090 1.206 1
1 215 . 1 1 1 A 33 33 VAL H H 33 8.291 7.767 0.524 1
1 216 . 1 1 1 A 33 33 VAL HA H 33 4.188 4.674 -0.486 1
1 224 . 1 1 1 A 33 33 VAL N N 33 122.829 109.903 12.926 1
1 225 . 1 1 1 A 34 34 GLU H H 34 8.548 8.085 0.463 1
1 226 . 1 1 1 A 34 34 GLU HA H 34 4.316 4.329 -0.013 1
1 231 . 1 1 1 A 34 34 GLU N N 34 124.786 117.965 6.821 1
1 232 . 1 1 1 A 35 35 GLY H H 35 8.460 8.637 -0.177 1
1 235 . 1 1 1 A 35 35 GLY N N 35 110.109 118.196 -8.087 1
1 236 . 1 1 1 A 36 36 ASP H H 36 8.210 8.197 0.013 1
1 237 . 1 1 1 A 36 36 ASP HA H 36 4.603 4.914 -0.311 1
1 240 . 1 1 1 A 36 36 ASP N N 36 120.341 117.434 2.907 1
1 241 . 1 1 1 A 37 37 LYS H H 37 8.282 8.591 -0.309 1
1 242 . 1 1 1 A 37 37 LYS HA H 37 4.347 4.061 0.286 1
1 247 . 1 1 1 A 37 37 LYS N N 37 121.069 121.368 -0.299 1
1 248 . 1 1 1 A 38 38 ALA H H 38 8.506 8.315 0.191 1
1 249 . 1 1 1 A 38 38 ALA HA H 38 4.556 4.557 -0.001 1
1 253 . 1 1 1 A 38 38 ALA N N 38 124.365 117.086 7.279 1
1 254 . 1 1 1 A 39 39 SER H H 39 8.313 7.522 0.791 1
1 258 . 1 1 1 A 39 39 SER N N 39 114.897 103.849 11.048 1
1 259 . 1 1 1 A 40 40 MET H H 40 9.298 8.517 0.781 1
1 260 . 1 1 1 A 40 40 MET HA H 40 4.811 5.071 -0.260 1
1 268 . 1 1 1 A 40 40 MET N N 40 121.658 117.165 4.493 1
1 269 . 1 1 1 A 41 41 GLU H H 41 8.724 8.869 -0.145 1
1 270 . 1 1 1 A 41 41 GLU HA H 41 4.150 3.953 0.197 1
1 275 . 1 1 1 A 41 41 GLU N N 41 123.119 121.240 1.879 1
1 276 . 1 1 1 A 42 42 VAL H H 42 8.274 7.743 0.531 1
1 277 . 1 1 1 A 42 42 VAL HA H 42 4.350 4.472 -0.122 1
1 285 . 1 1 1 A 42 42 VAL N N 42 121.303 116.527 4.776 1
1 286 . 1 1 1 A 43 43 PRO HA H 43 5.103 4.317 0.786 1
1 291 . 1 1 1 A 44 44 ALA H H 44 9.279 8.588 0.691 1
1 292 . 1 1 1 A 44 44 ALA HA H 44 4.286 4.845 -0.559 1
1 296 . 1 1 1 A 44 44 ALA N N 44 122.132 122.621 -0.489 1
1 297 . 1 1 1 A 45 45 PRO HA H 45 4.429 4.440 -0.011 1
1 304 . 1 1 1 A 46 46 PHE H H 46 7.058 8.801 -1.743 1
1 305 . 1 1 1 A 46 46 PHE HA H 46 4.931 4.868 0.063 1
1 313 . 1 1 1 A 46 46 PHE N N 46 113.563 118.504 -4.941 1
1 315 . 1 1 1 A 47 47 ALA HA H 47 4.545 4.738 -0.193 1
1 319 . 1 1 1 A 47 47 ALA N N 47 118.533 138.659 -20.126 1
1 320 . 1 1 1 A 48 48 GLY H H 48 7.946 8.372 -0.426 1
1 323 . 1 1 1 A 48 48 GLY N N 48 104.283 123.133 -18.850 1
1 325 . 1 1 1 A 49 49 VAL HA H 49 4.758 4.507 0.251 1
1 333 . 1 1 1 A 49 49 VAL N N 49 119.387 135.289 -15.902 1
1 334 . 1 1 1 A 50 50 VAL H H 50 8.812 7.183 1.629 1
1 335 . 1 1 1 A 50 50 VAL HA H 50 3.672 5.028 -1.356 1
1 343 . 1 1 1 A 50 50 VAL N N 50 126.035 112.009 14.026 1
1 344 . 1 1 1 A 51 51 LYS H H 51 9.404 8.420 0.984 1
1 345 . 1 1 1 A 51 51 LYS HA H 51 4.617 4.147 0.470 1
1 348 . 1 1 1 A 51 51 LYS N N 51 132.567 122.858 9.709 1
1 349 . 1 1 1 A 52 52 GLU H H 52 7.835 8.153 -0.318 1
1 355 . 1 1 1 A 52 52 GLU N N 52 114.290 108.669 5.621 1
1 356 . 1 1 1 A 53 53 LEU H H 53 9.245 8.485 0.760 1
1 357 . 1 1 1 A 53 53 LEU HA H 53 4.671 4.791 -0.120 1
1 367 . 1 1 1 A 53 53 LEU N N 53 126.224 120.030 6.194 1
1 368 . 1 1 1 A 54 54 LYS H H 54 7.816 9.122 -1.306 1
1 369 . 1 1 1 A 54 54 LYS HA H 54 4.632 4.003 0.629 1
1 376 . 1 1 1 A 54 54 LYS N N 54 118.189 127.120 -8.931 1
1 377 . 1 1 1 A 55 55 VAL H H 55 7.145 8.860 -1.715 1
1 378 . 1 1 1 A 55 55 VAL HA H 55 4.740 4.509 0.231 1
1 386 . 1 1 1 A 55 55 VAL N N 55 108.573 123.473 -14.900 1
1 387 . 1 1 1 A 56 56 ASN H H 56 8.970 7.717 1.253 1
1 388 . 1 1 1 A 56 56 ASN HA H 56 5.003 4.808 0.195 1
1 393 . 1 1 1 A 56 56 ASN N N 56 118.276 119.136 -0.860 1
1 395 . 1 1 1 A 57 57 VAL H H 57 8.721 8.759 -0.038 1
1 396 . 1 1 1 A 57 57 VAL HA H 57 3.277 4.345 -1.068 1
1 404 . 1 1 1 A 57 57 VAL N N 57 119.437 127.742 -8.305 1
1 405 . 1 1 1 A 58 58 GLY H H 58 9.282 9.038 0.244 1
1 408 . 1 1 1 A 58 58 GLY N N 58 116.296 125.470 -9.174 1
1 409 . 1 1 1 A 59 59 ASP H H 59 8.035 7.380 0.655 1
1 410 . 1 1 1 A 59 59 ASP HA H 59 4.600 4.741 -0.141 1
1 413 . 1 1 1 A 59 59 ASP N N 59 121.238 115.643 5.595 1
1 414 . 1 1 1 A 60 60 LYS H H 60 8.577 8.708 -0.131 1
1 415 . 1 1 1 A 60 60 LYS HA H 60 4.648 5.197 -0.549 1
1 424 . 1 1 1 A 60 60 LYS N N 60 121.491 122.073 -0.582 1
1 425 . 1 1 1 A 61 61 VAL H H 61 8.939 8.452 0.487 1
1 426 . 1 1 1 A 61 61 VAL HA H 61 4.461 3.459 1.002 1
1 434 . 1 1 1 A 61 61 VAL N N 61 121.545 122.242 -0.697 1
1 435 . 1 1 1 A 62 62 LYS H H 62 8.182 8.919 -0.737 1
1 443 . 1 1 1 A 62 62 LYS N N 62 122.901 115.337 7.564 1
1 444 . 1 1 1 A 63 63 THR H H 63 8.399 7.750 0.649 1
1 445 . 1 1 1 A 63 63 THR HA H 63 3.932 4.873 -0.941 1
1 450 . 1 1 1 A 63 63 THR N N 63 118.278 122.052 -3.774 1
1 451 . 1 1 1 A 64 64 GLY H H 64 9.075 8.401 0.674 1
1 454 . 1 1 1 A 64 64 GLY N N 64 115.336 125.048 -9.712 1
1 455 . 1 1 1 A 65 65 SER H H 65 8.207 8.503 -0.296 1
1 456 . 1 1 1 A 65 65 SER HA H 65 4.339 4.832 -0.493 1
1 459 . 1 1 1 A 65 65 SER N N 65 117.597 122.420 -4.823 1
1 460 . 1 1 1 A 66 66 LEU H H 66 8.666 8.068 0.598 1
1 461 . 1 1 1 A 66 66 LEU HA H 66 4.213 4.906 -0.693 1
1 471 . 1 1 1 A 66 66 LEU N N 66 124.519 124.917 -0.398 1
1 472 . 1 1 1 A 67 67 ILE H H 67 8.663 8.631 0.032 1
1 473 . 1 1 1 A 67 67 ILE HA H 67 4.853 3.879 0.974 1
1 483 . 1 1 1 A 67 67 ILE N N 67 115.104 117.838 -2.734 1
1 484 . 1 1 1 A 68 68 MET H H 68 7.736 8.850 -1.114 1
1 490 . 1 1 1 A 68 68 MET N N 68 118.031 115.322 2.709 1
1 491 . 1 1 1 A 69 69 ILE H H 69 8.735 7.673 1.062 1
1 492 . 1 1 1 A 69 69 ILE HA H 69 4.853 4.667 0.186 1
1 502 . 1 1 1 A 69 69 ILE N N 69 118.189 115.692 2.497 1
1 503 . 1 1 1 A 70 70 PHE H H 70 9.447 8.459 0.988 1
1 504 . 1 1 1 A 70 70 PHE HA H 70 5.895 4.968 0.927 1
1 512 . 1 1 1 A 70 70 PHE N N 70 127.483 120.609 6.874 1
1 513 . 1 1 1 A 71 71 GLU H H 71 9.633 8.678 0.955 1
1 514 . 1 1 1 A 71 71 GLU HA H 71 5.109 4.420 0.689 1
1 519 . 1 1 1 A 71 71 GLU N N 71 121.073 117.953 3.120 1
1 520 . 1 1 1 A 72 72 VAL H H 72 8.756 7.698 1.058 1
1 521 . 1 1 1 A 72 72 VAL HA H 72 4.669 4.903 -0.234 1
1 529 . 1 1 1 A 72 72 VAL N N 72 121.923 119.643 2.280 1
1 530 . 1 1 1 A 73 73 GLU H H 73 8.495 8.400 0.095 1
1 531 . 1 1 1 A 73 73 GLU HA H 73 4.374 4.841 -0.467 1
1 536 . 1 1 1 A 73 73 GLU N N 73 122.566 120.370 2.196 1
1 537 . 1 1 1 A 74 74 GLY H H 74 8.462 9.082 -0.620 1
1 540 . 1 1 1 A 74 74 GLY N N 74 110.596 126.401 -15.805 1
1 541 . 1 1 1 A 75 75 ALA H H 75 8.168 9.006 -0.838 1
1 542 . 1 1 1 A 75 75 ALA HA H 75 4.320 4.928 -0.608 1
1 546 . 1 1 1 A 75 75 ALA N N 75 123.148 121.591 1.557 1
1 547 . 1 1 1 A 83 83 LYS H H 83 8.334 8.773 -0.439 1
1 548 . 1 1 1 A 83 83 LYS HA H 83 4.318 4.559 -0.241 1
1 553 . 1 1 1 A 83 83 LYS N N 83 120.883 126.614 -5.731 1
1 554 . 1 1 1 A 84 84 GLN H H 84 8.533 7.977 0.556 1
1 555 . 1 1 1 A 84 84 GLN HA H 84 4.381 4.473 -0.092 1
1 560 . 1 1 1 A 84 84 GLN N N 84 123.135 117.842 5.293 1
1 562 . 1 1 1 A 85 85 GLU HA H 85 4.161 4.567 -0.406 1
1 1 . 2 1 1 A 4 4 GLU H H 4 8.653 9.075 -0.422 1
1 2 . 2 1 1 A 4 4 GLU HA H 4 4.327 4.517 -0.190 1
1 7 . 2 1 1 A 4 4 GLU N N 4 123.651 126.435 -2.784 1
1 8 . 2 1 1 A 5 5 VAL H H 5 8.248 7.633 0.615 1
1 9 . 2 1 1 A 5 5 VAL HA H 5 4.140 4.508 -0.368 1
1 17 . 2 1 1 A 5 5 VAL N N 5 120.477 115.328 5.149 1
1 18 . 2 1 1 A 6 6 ASN H H 6 8.569 8.578 -0.009 1
1 19 . 2 1 1 A 6 6 ASN HA H 6 4.757 5.046 -0.289 1
1 22 . 2 1 1 A 6 6 ASN N N 6 121.940 119.133 2.807 1
1 23 . 2 1 1 A 7 7 VAL H H 7 8.105 7.605 0.500 1
1 24 . 2 1 1 A 7 7 VAL HA H 7 4.449 4.283 0.166 1
1 32 . 2 1 1 A 7 7 VAL N N 7 121.599 121.072 0.527 1
1 34 . 2 1 1 A 9 9 ASP H H 9 8.358 8.359 -0.001 1
1 35 . 2 1 1 A 9 9 ASP HA H 9 4.568 5.145 -0.577 1
1 38 . 2 1 1 A 9 9 ASP N N 9 120.191 116.820 3.371 1
1 91 . 2 1 1 A 16 16 VAL H H 16 8.199 8.800 -0.601 1
1 92 . 2 1 1 A 16 16 VAL HA H 16 4.079 4.907 -0.828 1
1 100 . 2 1 1 A 16 16 VAL N N 16 121.212 123.205 -1.993 1
1 101 . 2 1 1 A 17 17 MET H H 17 8.406 8.697 -0.291 1
1 102 . 2 1 1 A 17 17 MET HA H 17 4.519 4.705 -0.186 1
1 107 . 2 1 1 A 17 17 MET N N 17 124.123 123.607 0.516 1
1 108 . 2 1 1 A 18 18 VAL H H 18 8.172 8.404 -0.232 1
1 109 . 2 1 1 A 18 18 VAL HA H 18 4.091 4.682 -0.591 1
1 117 . 2 1 1 A 18 18 VAL N N 18 122.154 112.257 9.897 1
1 118 . 2 1 1 A 19 19 LYS H H 19 8.454 8.092 0.362 1
1 119 . 2 1 1 A 19 19 LYS HA H 19 4.412 3.978 0.434 1
1 124 . 2 1 1 A 19 19 LYS N N 19 125.694 116.797 8.897 1
1 125 . 2 1 1 A 20 20 VAL H H 20 8.293 7.639 0.654 1
1 126 . 2 1 1 A 20 20 VAL HA H 20 4.105 4.094 0.011 1
1 134 . 2 1 1 A 20 20 VAL N N 20 122.063 116.650 5.413 1
1 135 . 2 1 1 A 21 21 GLY H H 21 8.519 8.311 0.208 1
1 138 . 2 1 1 A 21 21 GLY N N 21 112.272 118.062 -5.790 1
1 139 . 2 1 1 A 22 22 ASP H H 22 8.319 7.955 0.364 1
1 140 . 2 1 1 A 22 22 ASP HA H 22 4.627 3.865 0.762 1
1 143 . 2 1 1 A 22 22 ASP N N 22 120.284 116.337 3.947 1
1 144 . 2 1 1 A 24 24 VAL H H 24 8.141 8.640 -0.499 1
1 145 . 2 1 1 A 24 24 VAL HA H 24 4.077 3.752 0.325 1
1 153 . 2 1 1 A 24 24 VAL N N 24 121.156 123.645 -2.489 1
1 154 . 2 1 1 A 25 25 ALA H H 25 8.376 8.110 0.266 1
1 159 . 2 1 1 A 25 25 ALA N N 25 127.378 110.209 17.169 1
1 160 . 2 1 1 A 26 26 ALA H H 26 8.260 7.965 0.295 1
1 161 . 2 1 1 A 26 26 ALA HA H 26 4.302 4.974 -0.672 1
1 165 . 2 1 1 A 26 26 ALA N N 26 123.214 120.867 2.347 1
1 166 . 2 1 1 A 27 27 GLU H H 27 8.387 8.574 -0.187 1
1 167 . 2 1 1 A 27 27 GLU HA H 27 4.253 4.601 -0.348 1
1 172 . 2 1 1 A 27 27 GLU N N 27 119.491 121.689 -2.198 1
1 173 . 2 1 1 A 28 28 GLN H H 28 8.359 7.429 0.930 1
1 174 . 2 1 1 A 28 28 GLN HA H 28 4.343 4.119 0.224 1
1 179 . 2 1 1 A 28 28 GLN N N 28 120.668 121.659 -0.991 1
1 180 . 2 1 1 A 29 29 SER H H 29 8.338 7.862 0.476 1
1 181 . 2 1 1 A 29 29 SER HA H 29 4.444 4.686 -0.242 1
1 184 . 2 1 1 A 29 29 SER N N 29 116.599 128.955 -12.356 1
1 185 . 2 1 1 A 30 30 LEU H H 30 8.242 8.739 -0.497 1
1 186 . 2 1 1 A 30 30 LEU HA H 30 4.407 4.345 0.062 1
1 195 . 2 1 1 A 30 30 LEU N N 30 123.757 120.723 3.034 1
1 196 . 2 1 1 A 31 31 ILE H H 31 8.099 7.953 0.146 1
1 197 . 2 1 1 A 31 31 ILE HA H 31 4.264 4.699 -0.435 1
1 207 . 2 1 1 A 31 31 ILE N N 31 121.487 115.721 5.766 1
1 208 . 2 1 1 A 32 32 THR H H 32 8.295 8.793 -0.498 1
1 209 . 2 1 1 A 32 32 THR HA H 32 4.420 4.124 0.296 1
1 214 . 2 1 1 A 32 32 THR N N 32 119.296 122.253 -2.957 1
1 215 . 2 1 1 A 33 33 VAL H H 33 8.291 7.886 0.405 1
1 216 . 2 1 1 A 33 33 VAL HA H 33 4.188 4.174 0.014 1
1 224 . 2 1 1 A 33 33 VAL N N 33 122.829 112.005 10.824 1
1 225 . 2 1 1 A 34 34 GLU H H 34 8.548 8.209 0.339 1
1 226 . 2 1 1 A 34 34 GLU HA H 34 4.316 4.447 -0.131 1
1 231 . 2 1 1 A 34 34 GLU N N 34 124.786 124.042 0.744 1
1 232 . 2 1 1 A 35 35 GLY H H 35 8.460 7.862 0.598 1
1 235 . 2 1 1 A 35 35 GLY N N 35 110.109 120.361 -10.252 1
1 236 . 2 1 1 A 36 36 ASP H H 36 8.210 7.662 0.548 1
1 237 . 2 1 1 A 36 36 ASP HA H 36 4.603 4.274 0.329 1
1 240 . 2 1 1 A 36 36 ASP N N 36 120.341 114.132 6.209 1
1 241 . 2 1 1 A 37 37 LYS H H 37 8.282 8.054 0.228 1
1 242 . 2 1 1 A 37 37 LYS HA H 37 4.347 4.266 0.081 1
1 247 . 2 1 1 A 37 37 LYS N N 37 121.069 120.876 0.193 1
1 248 . 2 1 1 A 38 38 ALA H H 38 8.506 9.157 -0.651 1
1 249 . 2 1 1 A 38 38 ALA HA H 38 4.556 4.225 0.331 1
1 253 . 2 1 1 A 38 38 ALA N N 38 124.365 129.310 -4.945 1
1 254 . 2 1 1 A 39 39 SER H H 39 8.313 7.436 0.877 1
1 258 . 2 1 1 A 39 39 SER N N 39 114.897 107.072 7.825 1
1 259 . 2 1 1 A 40 40 MET H H 40 9.298 8.045 1.253 1
1 260 . 2 1 1 A 40 40 MET HA H 40 4.811 4.758 0.053 1
1 268 . 2 1 1 A 40 40 MET N N 40 121.658 121.917 -0.259 1
1 269 . 2 1 1 A 41 41 GLU H H 41 8.724 8.200 0.524 1
1 270 . 2 1 1 A 41 41 GLU HA H 41 4.150 4.874 -0.724 1
1 275 . 2 1 1 A 41 41 GLU N N 41 123.119 121.505 1.614 1
1 276 . 2 1 1 A 42 42 VAL H H 42 8.274 8.359 -0.085 1
1 277 . 2 1 1 A 42 42 VAL HA H 42 4.350 4.914 -0.564 1
1 285 . 2 1 1 A 42 42 VAL N N 42 121.303 121.456 -0.153 1
1 286 . 2 1 1 A 43 43 PRO HA H 43 5.103 5.198 -0.095 1
1 291 . 2 1 1 A 44 44 ALA H H 44 9.279 8.788 0.491 1
1 292 . 2 1 1 A 44 44 ALA HA H 44 4.286 5.052 -0.766 1
1 296 . 2 1 1 A 44 44 ALA N N 44 122.132 121.668 0.464 1
1 297 . 2 1 1 A 45 45 PRO HA H 45 4.429 4.570 -0.141 1
1 304 . 2 1 1 A 46 46 PHE H H 46 7.058 8.762 -1.704 1
1 305 . 2 1 1 A 46 46 PHE HA H 46 4.931 4.876 0.055 1
1 313 . 2 1 1 A 46 46 PHE N N 46 113.563 118.540 -4.977 1
1 315 . 2 1 1 A 47 47 ALA HA H 47 4.545 4.765 -0.220 1
1 319 . 2 1 1 A 47 47 ALA N N 47 118.533 138.937 -20.404 1
1 320 . 2 1 1 A 48 48 GLY H H 48 7.946 8.355 -0.409 1
1 323 . 2 1 1 A 48 48 GLY N N 48 104.283 123.586 -19.303 1
1 325 . 2 1 1 A 49 49 VAL HA H 49 4.758 4.499 0.259 1
1 333 . 2 1 1 A 49 49 VAL N N 49 119.387 134.040 -14.653 1
1 334 . 2 1 1 A 50 50 VAL H H 50 8.812 6.981 1.831 1
1 335 . 2 1 1 A 50 50 VAL HA H 50 3.672 5.133 -1.461 1
1 343 . 2 1 1 A 50 50 VAL N N 50 126.035 112.096 13.939 1
1 344 . 2 1 1 A 51 51 LYS H H 51 9.404 8.529 0.875 1
1 345 . 2 1 1 A 51 51 LYS HA H 51 4.617 4.113 0.504 1
1 348 . 2 1 1 A 51 51 LYS N N 51 132.567 122.735 9.832 1
1 349 . 2 1 1 A 52 52 GLU H H 52 7.835 8.201 -0.366 1
1 355 . 2 1 1 A 52 52 GLU N N 52 114.290 107.388 6.902 1
1 356 . 2 1 1 A 53 53 LEU H H 53 9.245 8.509 0.736 1
1 357 . 2 1 1 A 53 53 LEU HA H 53 4.671 4.823 -0.152 1
1 367 . 2 1 1 A 53 53 LEU N N 53 126.224 120.207 6.017 1
1 368 . 2 1 1 A 54 54 LYS H H 54 7.816 9.110 -1.294 1
1 369 . 2 1 1 A 54 54 LYS HA H 54 4.632 4.198 0.434 1
1 376 . 2 1 1 A 54 54 LYS N N 54 118.189 127.251 -9.062 1
1 377 . 2 1 1 A 55 55 VAL H H 55 7.145 9.173 -2.028 1
1 378 . 2 1 1 A 55 55 VAL HA H 55 4.740 4.487 0.253 1
1 386 . 2 1 1 A 55 55 VAL N N 55 108.573 129.583 -21.010 1
1 387 . 2 1 1 A 56 56 ASN H H 56 8.970 7.740 1.230 1
1 388 . 2 1 1 A 56 56 ASN HA H 56 5.003 4.681 0.322 1
1 393 . 2 1 1 A 56 56 ASN N N 56 118.276 114.542 3.734 1
1 395 . 2 1 1 A 57 57 VAL H H 57 8.721 8.792 -0.071 1
1 396 . 2 1 1 A 57 57 VAL HA H 57 3.277 4.376 -1.099 1
1 404 . 2 1 1 A 57 57 VAL N N 57 119.437 127.023 -7.586 1
1 405 . 2 1 1 A 58 58 GLY H H 58 9.282 8.407 0.875 1
1 408 . 2 1 1 A 58 58 GLY N N 58 116.296 125.634 -9.338 1
1 409 . 2 1 1 A 59 59 ASP H H 59 8.035 6.993 1.042 1
1 410 . 2 1 1 A 59 59 ASP HA H 59 4.600 4.718 -0.118 1
1 413 . 2 1 1 A 59 59 ASP N N 59 121.238 114.753 6.485 1
1 414 . 2 1 1 A 60 60 LYS H H 60 8.577 8.781 -0.204 1
1 415 . 2 1 1 A 60 60 LYS HA H 60 4.648 5.198 -0.550 1
1 424 . 2 1 1 A 60 60 LYS N N 60 121.491 121.725 -0.234 1
1 425 . 2 1 1 A 61 61 VAL H H 61 8.939 8.480 0.459 1
1 426 . 2 1 1 A 61 61 VAL HA H 61 4.461 3.476 0.985 1
1 434 . 2 1 1 A 61 61 VAL N N 61 121.545 122.156 -0.611 1
1 435 . 2 1 1 A 62 62 LYS H H 62 8.182 8.918 -0.736 1
1 443 . 2 1 1 A 62 62 LYS N N 62 122.901 114.919 7.982 1
1 444 . 2 1 1 A 63 63 THR H H 63 8.399 7.840 0.559 1
1 445 . 2 1 1 A 63 63 THR HA H 63 3.932 4.957 -1.025 1
1 450 . 2 1 1 A 63 63 THR N N 63 118.278 120.529 -2.251 1
1 451 . 2 1 1 A 64 64 GLY H H 64 9.075 8.622 0.453 1
1 454 . 2 1 1 A 64 64 GLY N N 64 115.336 126.444 -11.108 1
1 455 . 2 1 1 A 65 65 SER H H 65 8.207 8.574 -0.367 1
1 456 . 2 1 1 A 65 65 SER HA H 65 4.339 4.945 -0.606 1
1 459 . 2 1 1 A 65 65 SER N N 65 117.597 121.399 -3.802 1
1 460 . 2 1 1 A 66 66 LEU H H 66 8.666 8.279 0.387 1
1 461 . 2 1 1 A 66 66 LEU HA H 66 4.213 4.841 -0.628 1
1 471 . 2 1 1 A 66 66 LEU N N 66 124.519 126.966 -2.447 1
1 472 . 2 1 1 A 67 67 ILE H H 67 8.663 8.677 -0.014 1
1 473 . 2 1 1 A 67 67 ILE HA H 67 4.853 3.806 1.047 1
1 483 . 2 1 1 A 67 67 ILE N N 67 115.104 117.799 -2.695 1
1 484 . 2 1 1 A 68 68 MET H H 68 7.736 8.846 -1.110 1
1 490 . 2 1 1 A 68 68 MET N N 68 118.031 115.282 2.749 1
1 491 . 2 1 1 A 69 69 ILE H H 69 8.735 7.876 0.859 1
1 492 . 2 1 1 A 69 69 ILE HA H 69 4.853 4.601 0.252 1
1 502 . 2 1 1 A 69 69 ILE N N 69 118.189 115.961 2.228 1
1 503 . 2 1 1 A 70 70 PHE H H 70 9.447 8.792 0.655 1
1 504 . 2 1 1 A 70 70 PHE HA H 70 5.895 4.681 1.214 1
1 512 . 2 1 1 A 70 70 PHE N N 70 127.483 121.095 6.388 1
1 513 . 2 1 1 A 71 71 GLU H H 71 9.633 8.713 0.920 1
1 514 . 2 1 1 A 71 71 GLU HA H 71 5.109 4.415 0.694 1
1 519 . 2 1 1 A 71 71 GLU N N 71 121.073 117.828 3.245 1
1 520 . 2 1 1 A 72 72 VAL H H 72 8.756 7.773 0.983 1
1 521 . 2 1 1 A 72 72 VAL HA H 72 4.669 4.678 -0.009 1
1 529 . 2 1 1 A 72 72 VAL N N 72 121.923 117.806 4.117 1
1 530 . 2 1 1 A 73 73 GLU H H 73 8.495 7.658 0.837 1
1 531 . 2 1 1 A 73 73 GLU HA H 73 4.374 4.737 -0.363 1
1 536 . 2 1 1 A 73 73 GLU N N 73 122.566 119.512 3.054 1
1 537 . 2 1 1 A 74 74 GLY H H 74 8.462 8.999 -0.537 1
1 540 . 2 1 1 A 74 74 GLY N N 74 110.596 126.157 -15.561 1
1 541 . 2 1 1 A 75 75 ALA H H 75 8.168 8.670 -0.502 1
1 542 . 2 1 1 A 75 75 ALA HA H 75 4.320 4.721 -0.401 1
1 546 . 2 1 1 A 75 75 ALA N N 75 123.148 121.931 1.217 1
1 547 . 2 1 1 A 83 83 LYS H H 83 8.334 8.739 -0.405 1
1 548 . 2 1 1 A 83 83 LYS HA H 83 4.318 4.849 -0.531 1
1 553 . 2 1 1 A 83 83 LYS N N 83 120.883 124.719 -3.836 1
1 554 . 2 1 1 A 84 84 GLN H H 84 8.533 8.625 -0.092 1
1 555 . 2 1 1 A 84 84 GLN HA H 84 4.381 4.804 -0.423 1
1 560 . 2 1 1 A 84 84 GLN N N 84 123.135 122.779 0.356 1
1 562 . 2 1 1 A 85 85 GLU HA H 85 4.161 4.388 -0.227 1
1 1 . 3 1 1 A 4 4 GLU H H 4 8.653 8.947 -0.294 1
1 2 . 3 1 1 A 4 4 GLU HA H 4 4.327 3.976 0.351 1
1 7 . 3 1 1 A 4 4 GLU N N 4 123.651 117.438 6.213 1
1 8 . 3 1 1 A 5 5 VAL H H 5 8.248 8.051 0.197 1
1 9 . 3 1 1 A 5 5 VAL HA H 5 4.140 4.358 -0.218 1
1 17 . 3 1 1 A 5 5 VAL N N 5 120.477 123.648 -3.171 1
1 18 . 3 1 1 A 6 6 ASN H H 6 8.569 8.468 0.101 1
1 19 . 3 1 1 A 6 6 ASN HA H 6 4.757 4.565 0.192 1
1 22 . 3 1 1 A 6 6 ASN N N 6 121.940 118.932 3.008 1
1 23 . 3 1 1 A 7 7 VAL H H 7 8.105 7.573 0.532 1
1 24 . 3 1 1 A 7 7 VAL HA H 7 4.449 4.055 0.394 1
1 32 . 3 1 1 A 7 7 VAL N N 7 121.599 124.358 -2.759 1
1 34 . 3 1 1 A 9 9 ASP H H 9 8.358 8.499 -0.141 1
1 35 . 3 1 1 A 9 9 ASP HA H 9 4.568 5.149 -0.581 1
1 38 . 3 1 1 A 9 9 ASP N N 9 120.191 119.973 0.218 1
1 91 . 3 1 1 A 16 16 VAL H H 16 8.199 8.452 -0.253 1
1 92 . 3 1 1 A 16 16 VAL HA H 16 4.079 4.465 -0.386 1
1 100 . 3 1 1 A 16 16 VAL N N 16 121.212 121.199 0.013 1
1 101 . 3 1 1 A 17 17 MET H H 17 8.406 8.566 -0.160 1
1 102 . 3 1 1 A 17 17 MET HA H 17 4.519 4.601 -0.082 1
1 107 . 3 1 1 A 17 17 MET N N 17 124.123 120.536 3.587 1
1 108 . 3 1 1 A 18 18 VAL H H 18 8.172 8.838 -0.666 1
1 109 . 3 1 1 A 18 18 VAL HA H 18 4.091 5.305 -1.214 1
1 117 . 3 1 1 A 18 18 VAL N N 18 122.154 117.519 4.635 1
1 118 . 3 1 1 A 19 19 LYS H H 19 8.454 8.734 -0.280 1
1 119 . 3 1 1 A 19 19 LYS HA H 19 4.412 4.904 -0.492 1
1 124 . 3 1 1 A 19 19 LYS N N 19 125.694 123.870 1.824 1
1 125 . 3 1 1 A 20 20 VAL H H 20 8.293 8.764 -0.471 1
1 126 . 3 1 1 A 20 20 VAL HA H 20 4.105 4.366 -0.261 1
1 134 . 3 1 1 A 20 20 VAL N N 20 122.063 124.035 -1.972 1
1 135 . 3 1 1 A 21 21 GLY H H 21 8.519 8.617 -0.098 1
1 138 . 3 1 1 A 21 21 GLY N N 21 112.272 123.103 -10.831 1
1 139 . 3 1 1 A 22 22 ASP H H 22 8.319 7.828 0.491 1
1 140 . 3 1 1 A 22 22 ASP HA H 22 4.627 4.318 0.309 1
1 143 . 3 1 1 A 22 22 ASP N N 22 120.284 118.749 1.535 1
1 144 . 3 1 1 A 24 24 VAL H H 24 8.141 8.248 -0.107 1
1 145 . 3 1 1 A 24 24 VAL HA H 24 4.077 4.508 -0.431 1
1 153 . 3 1 1 A 24 24 VAL N N 24 121.156 119.528 1.628 1
1 154 . 3 1 1 A 25 25 ALA H H 25 8.376 7.567 0.809 1
1 159 . 3 1 1 A 25 25 ALA N N 25 127.378 109.482 17.896 1
1 160 . 3 1 1 A 26 26 ALA H H 26 8.260 8.030 0.230 1
1 161 . 3 1 1 A 26 26 ALA HA H 26 4.302 4.637 -0.335 1
1 165 . 3 1 1 A 26 26 ALA N N 26 123.214 121.485 1.729 1
1 166 . 3 1 1 A 27 27 GLU H H 27 8.387 8.653 -0.266 1
1 167 . 3 1 1 A 27 27 GLU HA H 27 4.253 4.507 -0.254 1
1 172 . 3 1 1 A 27 27 GLU N N 27 119.491 125.759 -6.268 1
1 173 . 3 1 1 A 28 28 GLN H H 28 8.359 8.191 0.168 1
1 174 . 3 1 1 A 28 28 GLN HA H 28 4.343 3.730 0.613 1
1 179 . 3 1 1 A 28 28 GLN N N 28 120.668 116.272 4.396 1
1 180 . 3 1 1 A 29 29 SER H H 29 8.338 8.216 0.122 1
1 181 . 3 1 1 A 29 29 SER HA H 29 4.444 4.953 -0.509 1
1 184 . 3 1 1 A 29 29 SER N N 29 116.599 122.246 -5.647 1
1 185 . 3 1 1 A 30 30 LEU H H 30 8.242 8.754 -0.512 1
1 186 . 3 1 1 A 30 30 LEU HA H 30 4.407 4.979 -0.572 1
1 195 . 3 1 1 A 30 30 LEU N N 30 123.757 124.248 -0.491 1
1 196 . 3 1 1 A 31 31 ILE H H 31 8.099 8.769 -0.670 1
1 197 . 3 1 1 A 31 31 ILE HA H 31 4.264 4.833 -0.569 1
1 207 . 3 1 1 A 31 31 ILE N N 31 121.487 121.233 0.254 1
1 208 . 3 1 1 A 32 32 THR H H 32 8.295 8.906 -0.611 1
1 209 . 3 1 1 A 32 32 THR HA H 32 4.420 4.620 -0.200 1
1 214 . 3 1 1 A 32 32 THR N N 32 119.296 125.259 -5.963 1
1 215 . 3 1 1 A 33 33 VAL H H 33 8.291 7.720 0.571 1
1 216 . 3 1 1 A 33 33 VAL HA H 33 4.188 4.504 -0.316 1
1 224 . 3 1 1 A 33 33 VAL N N 33 122.829 112.916 9.913 1
1 225 . 3 1 1 A 34 34 GLU H H 34 8.548 8.572 -0.024 1
1 226 . 3 1 1 A 34 34 GLU HA H 34 4.316 5.128 -0.812 1
1 231 . 3 1 1 A 34 34 GLU N N 34 124.786 120.791 3.995 1
1 232 . 3 1 1 A 35 35 GLY H H 35 8.460 8.578 -0.118 1
1 235 . 3 1 1 A 35 35 GLY N N 35 110.109 123.926 -13.817 1
1 236 . 3 1 1 A 36 36 ASP H H 36 8.210 8.481 -0.271 1
1 237 . 3 1 1 A 36 36 ASP HA H 36 4.603 4.322 0.281 1
1 240 . 3 1 1 A 36 36 ASP N N 36 120.341 120.669 -0.328 1
1 241 . 3 1 1 A 37 37 LYS H H 37 8.282 8.449 -0.167 1
1 242 . 3 1 1 A 37 37 LYS HA H 37 4.347 4.411 -0.064 1
1 247 . 3 1 1 A 37 37 LYS N N 37 121.069 122.838 -1.769 1
1 248 . 3 1 1 A 38 38 ALA H H 38 8.506 8.686 -0.180 1
1 249 . 3 1 1 A 38 38 ALA HA H 38 4.556 4.454 0.102 1
1 253 . 3 1 1 A 38 38 ALA N N 38 124.365 119.032 5.333 1
1 254 . 3 1 1 A 39 39 SER H H 39 8.313 7.979 0.334 1
1 258 . 3 1 1 A 39 39 SER N N 39 114.897 109.629 5.268 1
1 259 . 3 1 1 A 40 40 MET H H 40 9.298 8.410 0.888 1
1 260 . 3 1 1 A 40 40 MET HA H 40 4.811 5.152 -0.341 1
1 268 . 3 1 1 A 40 40 MET N N 40 121.658 122.229 -0.571 1
1 269 . 3 1 1 A 41 41 GLU H H 41 8.724 9.385 -0.661 1
1 270 . 3 1 1 A 41 41 GLU HA H 41 4.150 3.882 0.268 1
1 275 . 3 1 1 A 41 41 GLU N N 41 123.119 118.413 4.706 1
1 276 . 3 1 1 A 42 42 VAL H H 42 8.274 8.434 -0.160 1
1 277 . 3 1 1 A 42 42 VAL HA H 42 4.350 3.983 0.367 1
1 285 . 3 1 1 A 42 42 VAL N N 42 121.303 120.073 1.230 1
1 286 . 3 1 1 A 43 43 PRO HA H 43 5.103 4.788 0.315 1
1 291 . 3 1 1 A 44 44 ALA H H 44 9.279 8.875 0.404 1
1 292 . 3 1 1 A 44 44 ALA HA H 44 4.286 5.023 -0.737 1
1 296 . 3 1 1 A 44 44 ALA N N 44 122.132 125.784 -3.652 1
1 297 . 3 1 1 A 45 45 PRO HA H 45 4.429 4.706 -0.277 1
1 304 . 3 1 1 A 46 46 PHE H H 46 7.058 8.763 -1.705 1
1 305 . 3 1 1 A 46 46 PHE HA H 46 4.931 4.853 0.078 1
1 313 . 3 1 1 A 46 46 PHE N N 46 113.563 118.225 -4.662 1
1 315 . 3 1 1 A 47 47 ALA HA H 47 4.545 4.773 -0.228 1
1 319 . 3 1 1 A 47 47 ALA N N 47 118.533 138.762 -20.229 1
1 320 . 3 1 1 A 48 48 GLY H H 48 7.946 8.340 -0.394 1
1 323 . 3 1 1 A 48 48 GLY N N 48 104.283 123.536 -19.253 1
1 325 . 3 1 1 A 49 49 VAL HA H 49 4.758 4.493 0.265 1
1 333 . 3 1 1 A 49 49 VAL N N 49 119.387 135.301 -15.914 1
1 334 . 3 1 1 A 50 50 VAL H H 50 8.812 6.944 1.868 1
1 335 . 3 1 1 A 50 50 VAL HA H 50 3.672 4.910 -1.238 1
1 343 . 3 1 1 A 50 50 VAL N N 50 126.035 112.128 13.907 1
1 344 . 3 1 1 A 51 51 LYS H H 51 9.404 8.483 0.921 1
1 345 . 3 1 1 A 51 51 LYS HA H 51 4.617 4.102 0.515 1
1 348 . 3 1 1 A 51 51 LYS N N 51 132.567 122.810 9.757 1
1 349 . 3 1 1 A 52 52 GLU H H 52 7.835 8.032 -0.197 1
1 355 . 3 1 1 A 52 52 GLU N N 52 114.290 106.752 7.538 1
1 356 . 3 1 1 A 53 53 LEU H H 53 9.245 8.711 0.534 1
1 357 . 3 1 1 A 53 53 LEU HA H 53 4.671 4.685 -0.014 1
1 367 . 3 1 1 A 53 53 LEU N N 53 126.224 120.774 5.450 1
1 368 . 3 1 1 A 54 54 LYS H H 54 7.816 8.964 -1.148 1
1 369 . 3 1 1 A 54 54 LYS HA H 54 4.632 3.890 0.742 1
1 376 . 3 1 1 A 54 54 LYS N N 54 118.189 126.945 -8.756 1
1 377 . 3 1 1 A 55 55 VAL H H 55 7.145 8.563 -1.418 1
1 378 . 3 1 1 A 55 55 VAL HA H 55 4.740 4.265 0.475 1
1 386 . 3 1 1 A 55 55 VAL N N 55 108.573 130.617 -22.044 1
1 387 . 3 1 1 A 56 56 ASN H H 56 8.970 7.592 1.378 1
1 388 . 3 1 1 A 56 56 ASN HA H 56 5.003 4.648 0.355 1
1 393 . 3 1 1 A 56 56 ASN N N 56 118.276 113.936 4.340 1
1 395 . 3 1 1 A 57 57 VAL H H 57 8.721 8.724 -0.003 1
1 396 . 3 1 1 A 57 57 VAL HA H 57 3.277 4.279 -1.002 1
1 404 . 3 1 1 A 57 57 VAL N N 57 119.437 125.390 -5.953 1
1 405 . 3 1 1 A 58 58 GLY H H 58 9.282 8.858 0.424 1
1 408 . 3 1 1 A 58 58 GLY N N 58 116.296 123.814 -7.518 1
1 409 . 3 1 1 A 59 59 ASP H H 59 8.035 7.317 0.718 1
1 410 . 3 1 1 A 59 59 ASP HA H 59 4.600 4.729 -0.129 1
1 413 . 3 1 1 A 59 59 ASP N N 59 121.238 114.451 6.787 1
1 414 . 3 1 1 A 60 60 LYS H H 60 8.577 8.617 -0.040 1
1 415 . 3 1 1 A 60 60 LYS HA H 60 4.648 5.086 -0.438 1
1 424 . 3 1 1 A 60 60 LYS N N 60 121.491 121.552 -0.061 1
1 425 . 3 1 1 A 61 61 VAL H H 61 8.939 8.494 0.445 1
1 426 . 3 1 1 A 61 61 VAL HA H 61 4.461 3.417 1.044 1
1 434 . 3 1 1 A 61 61 VAL N N 61 121.545 122.035 -0.490 1
1 435 . 3 1 1 A 62 62 LYS H H 62 8.182 8.913 -0.731 1
1 443 . 3 1 1 A 62 62 LYS N N 62 122.901 115.223 7.678 1
1 444 . 3 1 1 A 63 63 THR H H 63 8.399 7.744 0.655 1
1 445 . 3 1 1 A 63 63 THR HA H 63 3.932 4.737 -0.805 1
1 450 . 3 1 1 A 63 63 THR N N 63 118.278 120.885 -2.607 1
1 451 . 3 1 1 A 64 64 GLY H H 64 9.075 8.524 0.551 1
1 454 . 3 1 1 A 64 64 GLY N N 64 115.336 123.322 -7.986 1
1 455 . 3 1 1 A 65 65 SER H H 65 8.207 8.295 -0.088 1
1 456 . 3 1 1 A 65 65 SER HA H 65 4.339 4.960 -0.621 1
1 459 . 3 1 1 A 65 65 SER N N 65 117.597 120.723 -3.126 1
1 460 . 3 1 1 A 66 66 LEU H H 66 8.666 8.584 0.082 1
1 461 . 3 1 1 A 66 66 LEU HA H 66 4.213 4.898 -0.685 1
1 471 . 3 1 1 A 66 66 LEU N N 66 124.519 124.818 -0.299 1
1 472 . 3 1 1 A 67 67 ILE H H 67 8.663 8.574 0.089 1
1 473 . 3 1 1 A 67 67 ILE HA H 67 4.853 4.115 0.738 1
1 483 . 3 1 1 A 67 67 ILE N N 67 115.104 115.801 -0.697 1
1 484 . 3 1 1 A 68 68 MET H H 68 7.736 8.898 -1.162 1
1 490 . 3 1 1 A 68 68 MET N N 68 118.031 114.730 3.301 1
1 491 . 3 1 1 A 69 69 ILE H H 69 8.735 7.799 0.936 1
1 492 . 3 1 1 A 69 69 ILE HA H 69 4.853 4.733 0.120 1
1 502 . 3 1 1 A 69 69 ILE N N 69 118.189 116.780 1.409 1
1 503 . 3 1 1 A 70 70 PHE H H 70 9.447 8.821 0.626 1
1 504 . 3 1 1 A 70 70 PHE HA H 70 5.895 4.411 1.484 1
1 512 . 3 1 1 A 70 70 PHE N N 70 127.483 126.858 0.625 1
1 513 . 3 1 1 A 71 71 GLU H H 71 9.633 8.744 0.889 1
1 514 . 3 1 1 A 71 71 GLU HA H 71 5.109 4.366 0.743 1
1 519 . 3 1 1 A 71 71 GLU N N 71 121.073 118.269 2.804 1
1 520 . 3 1 1 A 72 72 VAL H H 72 8.756 7.637 1.119 1
1 521 . 3 1 1 A 72 72 VAL HA H 72 4.669 4.752 -0.083 1
1 529 . 3 1 1 A 72 72 VAL N N 72 121.923 119.526 2.397 1
1 530 . 3 1 1 A 73 73 GLU H H 73 8.495 8.545 -0.050 1
1 531 . 3 1 1 A 73 73 GLU HA H 73 4.374 4.716 -0.342 1
1 536 . 3 1 1 A 73 73 GLU N N 73 122.566 121.752 0.814 1
1 537 . 3 1 1 A 74 74 GLY H H 74 8.462 8.953 -0.491 1
1 540 . 3 1 1 A 74 74 GLY N N 74 110.596 127.171 -16.575 1
1 541 . 3 1 1 A 75 75 ALA H H 75 8.168 8.778 -0.610 1
1 542 . 3 1 1 A 75 75 ALA HA H 75 4.320 4.906 -0.586 1
1 546 . 3 1 1 A 75 75 ALA N N 75 123.148 122.319 0.829 1
1 547 . 3 1 1 A 83 83 LYS H H 83 8.334 7.890 0.444 1
1 548 . 3 1 1 A 83 83 LYS HA H 83 4.318 4.565 -0.247 1
1 553 . 3 1 1 A 83 83 LYS N N 83 120.883 119.488 1.395 1
1 554 . 3 1 1 A 84 84 GLN H H 84 8.533 8.530 0.003 1
1 555 . 3 1 1 A 84 84 GLN HA H 84 4.381 4.516 -0.135 1
1 560 . 3 1 1 A 84 84 GLN N N 84 123.135 123.499 -0.364 1
1 562 . 3 1 1 A 85 85 GLU HA H 85 4.161 4.556 -0.395 1
1 1 . 4 1 1 A 4 4 GLU H H 4 8.653 8.829 -0.176 1
1 2 . 4 1 1 A 4 4 GLU HA H 4 4.327 4.555 -0.228 1
1 7 . 4 1 1 A 4 4 GLU N N 4 123.651 120.116 3.535 1
1 8 . 4 1 1 A 5 5 VAL H H 5 8.248 7.866 0.382 1
1 9 . 4 1 1 A 5 5 VAL HA H 5 4.140 3.963 0.177 1
1 17 . 4 1 1 A 5 5 VAL N N 5 120.477 119.781 0.696 1
1 18 . 4 1 1 A 6 6 ASN H H 6 8.569 8.029 0.540 1
1 19 . 4 1 1 A 6 6 ASN HA H 6 4.757 4.698 0.059 1
1 22 . 4 1 1 A 6 6 ASN N N 6 121.940 118.998 2.942 1
1 23 . 4 1 1 A 7 7 VAL H H 7 8.105 8.518 -0.413 1
1 24 . 4 1 1 A 7 7 VAL HA H 7 4.449 4.076 0.373 1
1 32 . 4 1 1 A 7 7 VAL N N 7 121.599 121.506 0.093 1
1 34 . 4 1 1 A 9 9 ASP H H 9 8.358 8.715 -0.357 1
1 35 . 4 1 1 A 9 9 ASP HA H 9 4.568 4.850 -0.282 1
1 38 . 4 1 1 A 9 9 ASP N N 9 120.191 119.410 0.781 1
1 91 . 4 1 1 A 16 16 VAL H H 16 8.199 8.656 -0.457 1
1 92 . 4 1 1 A 16 16 VAL HA H 16 4.079 4.587 -0.508 1
1 100 . 4 1 1 A 16 16 VAL N N 16 121.212 126.804 -5.592 1
1 101 . 4 1 1 A 17 17 MET H H 17 8.406 8.212 0.194 1
1 102 . 4 1 1 A 17 17 MET HA H 17 4.519 4.344 0.175 1
1 107 . 4 1 1 A 17 17 MET N N 17 124.123 118.504 5.619 1
1 108 . 4 1 1 A 18 18 VAL H H 18 8.172 8.944 -0.772 1
1 109 . 4 1 1 A 18 18 VAL HA H 18 4.091 4.855 -0.764 1
1 117 . 4 1 1 A 18 18 VAL N N 18 122.154 122.986 -0.832 1
1 118 . 4 1 1 A 19 19 LYS H H 19 8.454 8.556 -0.102 1
1 119 . 4 1 1 A 19 19 LYS HA H 19 4.412 4.626 -0.214 1
1 124 . 4 1 1 A 19 19 LYS N N 19 125.694 124.079 1.615 1
1 125 . 4 1 1 A 20 20 VAL H H 20 8.293 8.457 -0.164 1
1 126 . 4 1 1 A 20 20 VAL HA H 20 4.105 4.640 -0.535 1
1 134 . 4 1 1 A 20 20 VAL N N 20 122.063 121.458 0.605 1
1 135 . 4 1 1 A 21 21 GLY H H 21 8.519 9.058 -0.539 1
1 138 . 4 1 1 A 21 21 GLY N N 21 112.272 127.435 -15.163 1
1 139 . 4 1 1 A 22 22 ASP H H 22 8.319 8.554 -0.235 1
1 140 . 4 1 1 A 22 22 ASP HA H 22 4.627 4.188 0.439 1
1 143 . 4 1 1 A 22 22 ASP N N 22 120.284 123.419 -3.135 1
1 144 . 4 1 1 A 24 24 VAL H H 24 8.141 8.697 -0.556 1
1 145 . 4 1 1 A 24 24 VAL HA H 24 4.077 4.647 -0.570 1
1 153 . 4 1 1 A 24 24 VAL N N 24 121.156 117.847 3.309 1
1 154 . 4 1 1 A 25 25 ALA H H 25 8.376 8.203 0.173 1
1 159 . 4 1 1 A 25 25 ALA N N 25 127.378 110.228 17.150 1
1 160 . 4 1 1 A 26 26 ALA H H 26 8.260 8.334 -0.074 1
1 161 . 4 1 1 A 26 26 ALA HA H 26 4.302 4.919 -0.617 1
1 165 . 4 1 1 A 26 26 ALA N N 26 123.214 122.748 0.466 1
1 166 . 4 1 1 A 27 27 GLU H H 27 8.387 8.976 -0.589 1
1 167 . 4 1 1 A 27 27 GLU HA H 27 4.253 4.337 -0.084 1
1 172 . 4 1 1 A 27 27 GLU N N 27 119.491 126.887 -7.396 1
1 173 . 4 1 1 A 28 28 GLN H H 28 8.359 7.475 0.884 1
1 174 . 4 1 1 A 28 28 GLN HA H 28 4.343 4.381 -0.038 1
1 179 . 4 1 1 A 28 28 GLN N N 28 120.668 110.905 9.763 1
1 180 . 4 1 1 A 29 29 SER H H 29 8.338 7.545 0.793 1
1 181 . 4 1 1 A 29 29 SER HA H 29 4.444 4.597 -0.153 1
1 184 . 4 1 1 A 29 29 SER N N 29 116.599 121.753 -5.154 1
1 185 . 4 1 1 A 30 30 LEU H H 30 8.242 8.640 -0.398 1
1 186 . 4 1 1 A 30 30 LEU HA H 30 4.407 4.487 -0.080 1
1 195 . 4 1 1 A 30 30 LEU N N 30 123.757 123.943 -0.186 1
1 196 . 4 1 1 A 31 31 ILE H H 31 8.099 7.987 0.112 1
1 197 . 4 1 1 A 31 31 ILE HA H 31 4.264 4.845 -0.581 1
1 207 . 4 1 1 A 31 31 ILE N N 31 121.487 115.407 6.080 1
1 208 . 4 1 1 A 32 32 THR H H 32 8.295 8.635 -0.340 1
1 209 . 4 1 1 A 32 32 THR HA H 32 4.420 4.943 -0.523 1
1 214 . 4 1 1 A 32 32 THR N N 32 119.296 122.164 -2.868 1
1 215 . 4 1 1 A 33 33 VAL H H 33 8.291 8.506 -0.215 1
1 216 . 4 1 1 A 33 33 VAL HA H 33 4.188 5.024 -0.836 1
1 224 . 4 1 1 A 33 33 VAL N N 33 122.829 119.293 3.536 1
1 225 . 4 1 1 A 34 34 GLU H H 34 8.548 8.205 0.343 1
1 226 . 4 1 1 A 34 34 GLU HA H 34 4.316 4.702 -0.386 1
1 231 . 4 1 1 A 34 34 GLU N N 34 124.786 123.169 1.617 1
1 232 . 4 1 1 A 35 35 GLY H H 35 8.460 8.240 0.220 1
1 235 . 4 1 1 A 35 35 GLY N N 35 110.109 126.533 -16.424 1
1 236 . 4 1 1 A 36 36 ASP H H 36 8.210 8.974 -0.764 1
1 237 . 4 1 1 A 36 36 ASP HA H 36 4.603 5.382 -0.779 1
1 240 . 4 1 1 A 36 36 ASP N N 36 120.341 119.412 0.929 1
1 241 . 4 1 1 A 37 37 LYS H H 37 8.282 9.031 -0.749 1
1 242 . 4 1 1 A 37 37 LYS HA H 37 4.347 5.200 -0.853 1
1 247 . 4 1 1 A 37 37 LYS N N 37 121.069 121.576 -0.507 1
1 248 . 4 1 1 A 38 38 ALA H H 38 8.506 8.661 -0.155 1
1 249 . 4 1 1 A 38 38 ALA HA H 38 4.556 4.905 -0.349 1
1 253 . 4 1 1 A 38 38 ALA N N 38 124.365 119.725 4.640 1
1 254 . 4 1 1 A 39 39 SER H H 39 8.313 8.452 -0.139 1
1 258 . 4 1 1 A 39 39 SER N N 39 114.897 109.048 5.849 1
1 259 . 4 1 1 A 40 40 MET H H 40 9.298 8.781 0.517 1
1 260 . 4 1 1 A 40 40 MET HA H 40 4.811 5.024 -0.213 1
1 268 . 4 1 1 A 40 40 MET N N 40 121.658 121.956 -0.298 1
1 269 . 4 1 1 A 41 41 GLU H H 41 8.724 8.925 -0.201 1
1 270 . 4 1 1 A 41 41 GLU HA H 41 4.150 4.595 -0.445 1
1 275 . 4 1 1 A 41 41 GLU N N 41 123.119 121.530 1.589 1
1 276 . 4 1 1 A 42 42 VAL H H 42 8.274 7.846 0.428 1
1 277 . 4 1 1 A 42 42 VAL HA H 42 4.350 4.394 -0.044 1
1 285 . 4 1 1 A 42 42 VAL N N 42 121.303 122.179 -0.876 1
1 286 . 4 1 1 A 43 43 PRO HA H 43 5.103 4.355 0.748 1
1 291 . 4 1 1 A 44 44 ALA H H 44 9.279 8.531 0.748 1
1 292 . 4 1 1 A 44 44 ALA HA H 44 4.286 4.874 -0.588 1
1 296 . 4 1 1 A 44 44 ALA N N 44 122.132 122.940 -0.808 1
1 297 . 4 1 1 A 45 45 PRO HA H 45 4.429 4.333 0.096 1
1 304 . 4 1 1 A 46 46 PHE H H 46 7.058 8.704 -1.646 1
1 305 . 4 1 1 A 46 46 PHE HA H 46 4.931 4.867 0.064 1
1 313 . 4 1 1 A 46 46 PHE N N 46 113.563 114.974 -1.411 1
1 315 . 4 1 1 A 47 47 ALA HA H 47 4.545 4.735 -0.190 1
1 319 . 4 1 1 A 47 47 ALA N N 47 118.533 136.806 -18.273 1
1 320 . 4 1 1 A 48 48 GLY H H 48 7.946 8.341 -0.395 1
1 323 . 4 1 1 A 48 48 GLY N N 48 104.283 123.119 -18.836 1
1 325 . 4 1 1 A 49 49 VAL HA H 49 4.758 4.519 0.239 1
1 333 . 4 1 1 A 49 49 VAL N N 49 119.387 134.597 -15.210 1
1 334 . 4 1 1 A 50 50 VAL H H 50 8.812 7.167 1.645 1
1 335 . 4 1 1 A 50 50 VAL HA H 50 3.672 5.033 -1.361 1
1 343 . 4 1 1 A 50 50 VAL N N 50 126.035 112.290 13.745 1
1 344 . 4 1 1 A 51 51 LYS H H 51 9.404 8.529 0.875 1
1 345 . 4 1 1 A 51 51 LYS HA H 51 4.617 4.005 0.612 1
1 348 . 4 1 1 A 51 51 LYS N N 51 132.567 123.134 9.433 1
1 349 . 4 1 1 A 52 52 GLU H H 52 7.835 8.090 -0.255 1
1 355 . 4 1 1 A 52 52 GLU N N 52 114.290 108.436 5.854 1
1 356 . 4 1 1 A 53 53 LEU H H 53 9.245 8.493 0.752 1
1 357 . 4 1 1 A 53 53 LEU HA H 53 4.671 4.792 -0.121 1
1 367 . 4 1 1 A 53 53 LEU N N 53 126.224 119.674 6.550 1
1 368 . 4 1 1 A 54 54 LYS H H 54 7.816 9.113 -1.297 1
1 369 . 4 1 1 A 54 54 LYS HA H 54 4.632 4.035 0.597 1
1 376 . 4 1 1 A 54 54 LYS N N 54 118.189 127.303 -9.114 1
1 377 . 4 1 1 A 55 55 VAL H H 55 7.145 9.024 -1.879 1
1 378 . 4 1 1 A 55 55 VAL HA H 55 4.740 4.527 0.213 1
1 386 . 4 1 1 A 55 55 VAL N N 55 108.573 129.242 -20.669 1
1 387 . 4 1 1 A 56 56 ASN H H 56 8.970 8.005 0.965 1
1 388 . 4 1 1 A 56 56 ASN HA H 56 5.003 4.532 0.471 1
1 393 . 4 1 1 A 56 56 ASN N N 56 118.276 117.887 0.389 1
1 395 . 4 1 1 A 57 57 VAL H H 57 8.721 8.562 0.159 1
1 396 . 4 1 1 A 57 57 VAL HA H 57 3.277 4.229 -0.952 1
1 404 . 4 1 1 A 57 57 VAL N N 57 119.437 127.902 -8.465 1
1 405 . 4 1 1 A 58 58 GLY H H 58 9.282 9.041 0.241 1
1 408 . 4 1 1 A 58 58 GLY N N 58 116.296 126.204 -9.908 1
1 409 . 4 1 1 A 59 59 ASP H H 59 8.035 7.224 0.811 1
1 410 . 4 1 1 A 59 59 ASP HA H 59 4.600 4.646 -0.046 1
1 413 . 4 1 1 A 59 59 ASP N N 59 121.238 117.363 3.875 1
1 414 . 4 1 1 A 60 60 LYS H H 60 8.577 8.824 -0.247 1
1 415 . 4 1 1 A 60 60 LYS HA H 60 4.648 5.323 -0.675 1
1 424 . 4 1 1 A 60 60 LYS N N 60 121.491 122.249 -0.758 1
1 425 . 4 1 1 A 61 61 VAL H H 61 8.939 8.502 0.437 1
1 426 . 4 1 1 A 61 61 VAL HA H 61 4.461 3.448 1.013 1
1 434 . 4 1 1 A 61 61 VAL N N 61 121.545 122.312 -0.767 1
1 435 . 4 1 1 A 62 62 LYS H H 62 8.182 8.937 -0.755 1
1 443 . 4 1 1 A 62 62 LYS N N 62 122.901 115.240 7.661 1
1 444 . 4 1 1 A 63 63 THR H H 63 8.399 7.553 0.846 1
1 445 . 4 1 1 A 63 63 THR HA H 63 3.932 4.913 -0.981 1
1 450 . 4 1 1 A 63 63 THR N N 63 118.278 121.255 -2.977 1
1 451 . 4 1 1 A 64 64 GLY H H 64 9.075 8.465 0.610 1
1 454 . 4 1 1 A 64 64 GLY N N 64 115.336 126.113 -10.777 1
1 455 . 4 1 1 A 65 65 SER H H 65 8.207 8.449 -0.242 1
1 456 . 4 1 1 A 65 65 SER HA H 65 4.339 4.964 -0.625 1
1 459 . 4 1 1 A 65 65 SER N N 65 117.597 120.702 -3.105 1
1 460 . 4 1 1 A 66 66 LEU H H 66 8.666 8.614 0.052 1
1 461 . 4 1 1 A 66 66 LEU HA H 66 4.213 4.865 -0.652 1
1 471 . 4 1 1 A 66 66 LEU N N 66 124.519 125.903 -1.384 1
1 472 . 4 1 1 A 67 67 ILE H H 67 8.663 8.697 -0.034 1
1 473 . 4 1 1 A 67 67 ILE HA H 67 4.853 3.765 1.088 1
1 483 . 4 1 1 A 67 67 ILE N N 67 115.104 118.395 -3.291 1
1 484 . 4 1 1 A 68 68 MET H H 68 7.736 8.920 -1.184 1
1 490 . 4 1 1 A 68 68 MET N N 68 118.031 115.362 2.669 1
1 491 . 4 1 1 A 69 69 ILE H H 69 8.735 7.690 1.045 1
1 492 . 4 1 1 A 69 69 ILE HA H 69 4.853 4.616 0.237 1
1 502 . 4 1 1 A 69 69 ILE N N 69 118.189 117.208 0.981 1
1 503 . 4 1 1 A 70 70 PHE H H 70 9.447 8.760 0.687 1
1 504 . 4 1 1 A 70 70 PHE HA H 70 5.895 4.467 1.428 1
1 512 . 4 1 1 A 70 70 PHE N N 70 127.483 124.831 2.652 1
1 513 . 4 1 1 A 71 71 GLU H H 71 9.633 8.845 0.788 1
1 514 . 4 1 1 A 71 71 GLU HA H 71 5.109 4.392 0.717 1
1 519 . 4 1 1 A 71 71 GLU N N 71 121.073 118.040 3.033 1
1 520 . 4 1 1 A 72 72 VAL H H 72 8.756 7.642 1.114 1
1 521 . 4 1 1 A 72 72 VAL HA H 72 4.669 4.886 -0.217 1
1 529 . 4 1 1 A 72 72 VAL N N 72 121.923 119.287 2.636 1
1 530 . 4 1 1 A 73 73 GLU H H 73 8.495 8.389 0.106 1
1 531 . 4 1 1 A 73 73 GLU HA H 73 4.374 4.788 -0.414 1
1 536 . 4 1 1 A 73 73 GLU N N 73 122.566 120.727 1.839 1
1 537 . 4 1 1 A 74 74 GLY H H 74 8.462 9.033 -0.571 1
1 540 . 4 1 1 A 74 74 GLY N N 74 110.596 126.028 -15.432 1
1 541 . 4 1 1 A 75 75 ALA H H 75 8.168 8.945 -0.777 1
1 542 . 4 1 1 A 75 75 ALA HA H 75 4.320 5.050 -0.730 1
1 546 . 4 1 1 A 75 75 ALA N N 75 123.148 122.373 0.775 1
1 547 . 4 1 1 A 83 83 LYS H H 83 8.334 7.988 0.346 1
1 548 . 4 1 1 A 83 83 LYS HA H 83 4.318 4.319 -0.001 1
1 553 . 4 1 1 A 83 83 LYS N N 83 120.883 119.920 0.963 1
1 554 . 4 1 1 A 84 84 GLN H H 84 8.533 7.724 0.809 1
1 555 . 4 1 1 A 84 84 GLN HA H 84 4.381 3.985 0.396 1
1 560 . 4 1 1 A 84 84 GLN N N 84 123.135 119.320 3.815 1
1 562 . 4 1 1 A 85 85 GLU HA H 85 4.161 4.578 -0.417 1
1 1 . 5 1 1 A 4 4 GLU H H 4 8.653 8.618 0.035 1
1 2 . 5 1 1 A 4 4 GLU HA H 4 4.327 4.258 0.069 1
1 7 . 5 1 1 A 4 4 GLU N N 4 123.651 120.108 3.543 1
1 8 . 5 1 1 A 5 5 VAL H H 5 8.248 7.870 0.378 1
1 9 . 5 1 1 A 5 5 VAL HA H 5 4.140 4.695 -0.555 1
1 17 . 5 1 1 A 5 5 VAL N N 5 120.477 119.697 0.780 1
1 18 . 5 1 1 A 6 6 ASN H H 6 8.569 9.026 -0.457 1
1 19 . 5 1 1 A 6 6 ASN HA H 6 4.757 5.300 -0.543 1
1 22 . 5 1 1 A 6 6 ASN N N 6 121.940 123.271 -1.331 1
1 23 . 5 1 1 A 7 7 VAL H H 7 8.105 8.396 -0.291 1
1 24 . 5 1 1 A 7 7 VAL HA H 7 4.449 4.119 0.330 1
1 32 . 5 1 1 A 7 7 VAL N N 7 121.599 123.014 -1.415 1
1 34 . 5 1 1 A 9 9 ASP H H 9 8.358 8.601 -0.243 1
1 35 . 5 1 1 A 9 9 ASP HA H 9 4.568 4.380 0.188 1
1 38 . 5 1 1 A 9 9 ASP N N 9 120.191 121.134 -0.943 1
1 91 . 5 1 1 A 16 16 VAL H H 16 8.199 9.156 -0.957 1
1 92 . 5 1 1 A 16 16 VAL HA H 16 4.079 4.731 -0.652 1
1 100 . 5 1 1 A 16 16 VAL N N 16 121.212 121.835 -0.623 1
1 101 . 5 1 1 A 17 17 MET H H 17 8.406 7.685 0.721 1
1 102 . 5 1 1 A 17 17 MET HA H 17 4.519 4.629 -0.110 1
1 107 . 5 1 1 A 17 17 MET N N 17 124.123 115.457 8.666 1
1 108 . 5 1 1 A 18 18 VAL H H 18 8.172 8.422 -0.250 1
1 109 . 5 1 1 A 18 18 VAL HA H 18 4.091 4.640 -0.549 1
1 117 . 5 1 1 A 18 18 VAL N N 18 122.154 113.126 9.028 1
1 118 . 5 1 1 A 19 19 LYS H H 19 8.454 8.177 0.277 1
1 119 . 5 1 1 A 19 19 LYS HA H 19 4.412 4.033 0.379 1
1 124 . 5 1 1 A 19 19 LYS N N 19 125.694 121.147 4.547 1
1 125 . 5 1 1 A 20 20 VAL H H 20 8.293 8.863 -0.570 1
1 126 . 5 1 1 A 20 20 VAL HA H 20 4.105 4.640 -0.535 1
1 134 . 5 1 1 A 20 20 VAL N N 20 122.063 125.443 -3.380 1
1 135 . 5 1 1 A 21 21 GLY H H 21 8.519 8.803 -0.284 1
1 138 . 5 1 1 A 21 21 GLY N N 21 112.272 127.489 -15.217 1
1 139 . 5 1 1 A 22 22 ASP H H 22 8.319 8.823 -0.504 1
1 140 . 5 1 1 A 22 22 ASP HA H 22 4.627 4.726 -0.099 1
1 143 . 5 1 1 A 22 22 ASP N N 22 120.284 127.011 -6.727 1
1 144 . 5 1 1 A 24 24 VAL H H 24 8.141 8.772 -0.631 1
1 145 . 5 1 1 A 24 24 VAL HA H 24 4.077 4.007 0.070 1
1 153 . 5 1 1 A 24 24 VAL N N 24 121.156 121.444 -0.288 1
1 154 . 5 1 1 A 25 25 ALA H H 25 8.376 8.627 -0.251 1
1 159 . 5 1 1 A 25 25 ALA N N 25 127.378 109.608 17.770 1
1 160 . 5 1 1 A 26 26 ALA H H 26 8.260 8.001 0.259 1
1 161 . 5 1 1 A 26 26 ALA HA H 26 4.302 4.724 -0.422 1
1 165 . 5 1 1 A 26 26 ALA N N 26 123.214 121.122 2.092 1
1 166 . 5 1 1 A 27 27 GLU H H 27 8.387 8.043 0.344 1
1 167 . 5 1 1 A 27 27 GLU HA H 27 4.253 4.539 -0.286 1
1 172 . 5 1 1 A 27 27 GLU N N 27 119.491 124.606 -5.115 1
1 173 . 5 1 1 A 28 28 GLN H H 28 8.359 7.586 0.773 1
1 174 . 5 1 1 A 28 28 GLN HA H 28 4.343 3.662 0.681 1
1 179 . 5 1 1 A 28 28 GLN N N 28 120.668 118.292 2.376 1
1 180 . 5 1 1 A 29 29 SER H H 29 8.338 7.660 0.678 1
1 181 . 5 1 1 A 29 29 SER HA H 29 4.444 4.464 -0.020 1
1 184 . 5 1 1 A 29 29 SER N N 29 116.599 123.267 -6.668 1
1 185 . 5 1 1 A 30 30 LEU H H 30 8.242 8.445 -0.203 1
1 186 . 5 1 1 A 30 30 LEU HA H 30 4.407 4.540 -0.133 1
1 195 . 5 1 1 A 30 30 LEU N N 30 123.757 126.231 -2.474 1
1 196 . 5 1 1 A 31 31 ILE H H 31 8.099 8.127 -0.028 1
1 197 . 5 1 1 A 31 31 ILE HA H 31 4.264 4.274 -0.010 1
1 207 . 5 1 1 A 31 31 ILE N N 31 121.487 116.937 4.550 1
1 208 . 5 1 1 A 32 32 THR H H 32 8.295 8.388 -0.093 1
1 209 . 5 1 1 A 32 32 THR HA H 32 4.420 4.987 -0.567 1
1 214 . 5 1 1 A 32 32 THR N N 32 119.296 116.948 2.348 1
1 215 . 5 1 1 A 33 33 VAL H H 33 8.291 8.717 -0.426 1
1 216 . 5 1 1 A 33 33 VAL HA H 33 4.188 4.871 -0.683 1
1 224 . 5 1 1 A 33 33 VAL N N 33 122.829 115.765 7.064 1
1 225 . 5 1 1 A 34 34 GLU H H 34 8.548 8.965 -0.417 1
1 226 . 5 1 1 A 34 34 GLU HA H 34 4.316 5.012 -0.696 1
1 231 . 5 1 1 A 34 34 GLU N N 34 124.786 128.922 -4.136 1
1 232 . 5 1 1 A 35 35 GLY H H 35 8.460 9.051 -0.591 1
1 235 . 5 1 1 A 35 35 GLY N N 35 110.109 125.713 -15.604 1
1 236 . 5 1 1 A 36 36 ASP H H 36 8.210 8.423 -0.213 1
1 237 . 5 1 1 A 36 36 ASP HA H 36 4.603 4.580 0.023 1
1 240 . 5 1 1 A 36 36 ASP N N 36 120.341 123.425 -3.084 1
1 241 . 5 1 1 A 37 37 LYS H H 37 8.282 7.497 0.785 1
1 242 . 5 1 1 A 37 37 LYS HA H 37 4.347 4.007 0.340 1
1 247 . 5 1 1 A 37 37 LYS N N 37 121.069 121.914 -0.845 1
1 248 . 5 1 1 A 38 38 ALA H H 38 8.506 8.981 -0.475 1
1 249 . 5 1 1 A 38 38 ALA HA H 38 4.556 4.486 0.070 1
1 253 . 5 1 1 A 38 38 ALA N N 38 124.365 127.732 -3.367 1
1 254 . 5 1 1 A 39 39 SER H H 39 8.313 7.812 0.501 1
1 258 . 5 1 1 A 39 39 SER N N 39 114.897 108.473 6.424 1
1 259 . 5 1 1 A 40 40 MET H H 40 9.298 8.868 0.430 1
1 260 . 5 1 1 A 40 40 MET HA H 40 4.811 5.119 -0.308 1
1 268 . 5 1 1 A 40 40 MET N N 40 121.658 124.301 -2.643 1
1 269 . 5 1 1 A 41 41 GLU H H 41 8.724 9.010 -0.286 1
1 270 . 5 1 1 A 41 41 GLU HA H 41 4.150 3.980 0.170 1
1 275 . 5 1 1 A 41 41 GLU N N 41 123.119 125.749 -2.630 1
1 276 . 5 1 1 A 42 42 VAL H H 42 8.274 8.277 -0.003 1
1 277 . 5 1 1 A 42 42 VAL HA H 42 4.350 4.552 -0.202 1
1 285 . 5 1 1 A 42 42 VAL N N 42 121.303 128.257 -6.954 1
1 286 . 5 1 1 A 43 43 PRO HA H 43 5.103 4.362 0.741 1
1 291 . 5 1 1 A 44 44 ALA H H 44 9.279 8.626 0.653 1
1 292 . 5 1 1 A 44 44 ALA HA H 44 4.286 4.938 -0.652 1
1 296 . 5 1 1 A 44 44 ALA N N 44 122.132 126.775 -4.643 1
1 297 . 5 1 1 A 45 45 PRO HA H 45 4.429 4.452 -0.023 1
1 304 . 5 1 1 A 46 46 PHE H H 46 7.058 8.922 -1.864 1
1 305 . 5 1 1 A 46 46 PHE HA H 46 4.931 4.927 0.004 1
1 313 . 5 1 1 A 46 46 PHE N N 46 113.563 118.014 -4.451 1
1 315 . 5 1 1 A 47 47 ALA HA H 47 4.545 4.731 -0.186 1
1 319 . 5 1 1 A 47 47 ALA N N 47 118.533 138.713 -20.180 1
1 320 . 5 1 1 A 48 48 GLY H H 48 7.946 8.456 -0.510 1
1 323 . 5 1 1 A 48 48 GLY N N 48 104.283 122.933 -18.650 1
1 325 . 5 1 1 A 49 49 VAL HA H 49 4.758 4.483 0.275 1
1 333 . 5 1 1 A 49 49 VAL N N 49 119.387 135.482 -16.095 1
1 334 . 5 1 1 A 50 50 VAL H H 50 8.812 7.224 1.588 1
1 335 . 5 1 1 A 50 50 VAL HA H 50 3.672 5.002 -1.330 1
1 343 . 5 1 1 A 50 50 VAL N N 50 126.035 112.203 13.832 1
1 344 . 5 1 1 A 51 51 LYS H H 51 9.404 8.402 1.002 1
1 345 . 5 1 1 A 51 51 LYS HA H 51 4.617 4.092 0.525 1
1 348 . 5 1 1 A 51 51 LYS N N 51 132.567 122.691 9.876 1
1 349 . 5 1 1 A 52 52 GLU H H 52 7.835 8.035 -0.200 1
1 355 . 5 1 1 A 52 52 GLU N N 52 114.290 106.845 7.445 1
1 356 . 5 1 1 A 53 53 LEU H H 53 9.245 8.964 0.281 1
1 357 . 5 1 1 A 53 53 LEU HA H 53 4.671 4.926 -0.255 1
1 367 . 5 1 1 A 53 53 LEU N N 53 126.224 116.255 9.969 1
1 368 . 5 1 1 A 54 54 LYS H H 54 7.816 9.027 -1.211 1
1 369 . 5 1 1 A 54 54 LYS HA H 54 4.632 3.949 0.683 1
1 376 . 5 1 1 A 54 54 LYS N N 54 118.189 125.809 -7.620 1
1 377 . 5 1 1 A 55 55 VAL H H 55 7.145 9.024 -1.879 1
1 378 . 5 1 1 A 55 55 VAL HA H 55 4.740 4.511 0.229 1
1 386 . 5 1 1 A 55 55 VAL N N 55 108.573 128.229 -19.656 1
1 387 . 5 1 1 A 56 56 ASN H H 56 8.970 7.908 1.062 1
1 388 . 5 1 1 A 56 56 ASN HA H 56 5.003 4.768 0.235 1
1 393 . 5 1 1 A 56 56 ASN N N 56 118.276 118.275 0.001 1
1 395 . 5 1 1 A 57 57 VAL H H 57 8.721 8.518 0.203 1
1 396 . 5 1 1 A 57 57 VAL HA H 57 3.277 4.413 -1.136 1
1 404 . 5 1 1 A 57 57 VAL N N 57 119.437 123.735 -4.298 1
1 405 . 5 1 1 A 58 58 GLY H H 58 9.282 8.431 0.851 1
1 408 . 5 1 1 A 58 58 GLY N N 58 116.296 119.863 -3.567 1
1 409 . 5 1 1 A 59 59 ASP H H 59 8.035 6.930 1.105 1
1 410 . 5 1 1 A 59 59 ASP HA H 59 4.600 4.729 -0.129 1
1 413 . 5 1 1 A 59 59 ASP N N 59 121.238 115.376 5.862 1
1 414 . 5 1 1 A 60 60 LYS H H 60 8.577 8.680 -0.103 1
1 415 . 5 1 1 A 60 60 LYS HA H 60 4.648 5.173 -0.525 1
1 424 . 5 1 1 A 60 60 LYS N N 60 121.491 121.112 0.379 1
1 425 . 5 1 1 A 61 61 VAL H H 61 8.939 8.466 0.473 1
1 426 . 5 1 1 A 61 61 VAL HA H 61 4.461 3.438 1.023 1
1 434 . 5 1 1 A 61 61 VAL N N 61 121.545 122.157 -0.612 1
1 435 . 5 1 1 A 62 62 LYS H H 62 8.182 8.909 -0.727 1
1 443 . 5 1 1 A 62 62 LYS N N 62 122.901 115.246 7.655 1
1 444 . 5 1 1 A 63 63 THR H H 63 8.399 7.909 0.490 1
1 445 . 5 1 1 A 63 63 THR HA H 63 3.932 4.720 -0.788 1
1 450 . 5 1 1 A 63 63 THR N N 63 118.278 120.906 -2.628 1
1 451 . 5 1 1 A 64 64 GLY H H 64 9.075 8.511 0.564 1
1 454 . 5 1 1 A 64 64 GLY N N 64 115.336 123.993 -8.657 1
1 455 . 5 1 1 A 65 65 SER H H 65 8.207 8.296 -0.089 1
1 456 . 5 1 1 A 65 65 SER HA H 65 4.339 4.966 -0.627 1
1 459 . 5 1 1 A 65 65 SER N N 65 117.597 119.420 -1.823 1
1 460 . 5 1 1 A 66 66 LEU H H 66 8.666 8.553 0.113 1
1 461 . 5 1 1 A 66 66 LEU HA H 66 4.213 4.897 -0.684 1
1 471 . 5 1 1 A 66 66 LEU N N 66 124.519 124.020 0.499 1
1 472 . 5 1 1 A 67 67 ILE H H 67 8.663 8.608 0.055 1
1 473 . 5 1 1 A 67 67 ILE HA H 67 4.853 4.124 0.729 1
1 483 . 5 1 1 A 67 67 ILE N N 67 115.104 115.071 0.033 1
1 484 . 5 1 1 A 68 68 MET H H 68 7.736 8.936 -1.200 1
1 490 . 5 1 1 A 68 68 MET N N 68 118.031 114.682 3.349 1
1 491 . 5 1 1 A 69 69 ILE H H 69 8.735 7.726 1.009 1
1 492 . 5 1 1 A 69 69 ILE HA H 69 4.853 4.759 0.094 1
1 502 . 5 1 1 A 69 69 ILE N N 69 118.189 116.286 1.903 1
1 503 . 5 1 1 A 70 70 PHE H H 70 9.447 8.828 0.619 1
1 504 . 5 1 1 A 70 70 PHE HA H 70 5.895 4.295 1.600 1
1 512 . 5 1 1 A 70 70 PHE N N 70 127.483 126.278 1.205 1
1 513 . 5 1 1 A 71 71 GLU H H 71 9.633 8.811 0.822 1
1 514 . 5 1 1 A 71 71 GLU HA H 71 5.109 4.450 0.659 1
1 519 . 5 1 1 A 71 71 GLU N N 71 121.073 118.020 3.053 1
1 520 . 5 1 1 A 72 72 VAL H H 72 8.756 7.555 1.201 1
1 521 . 5 1 1 A 72 72 VAL HA H 72 4.669 4.566 0.103 1
1 529 . 5 1 1 A 72 72 VAL N N 72 121.923 119.339 2.584 1
1 530 . 5 1 1 A 73 73 GLU H H 73 8.495 8.338 0.157 1
1 531 . 5 1 1 A 73 73 GLU HA H 73 4.374 4.889 -0.515 1
1 536 . 5 1 1 A 73 73 GLU N N 73 122.566 122.133 0.433 1
1 537 . 5 1 1 A 74 74 GLY H H 74 8.462 9.015 -0.553 1
1 540 . 5 1 1 A 74 74 GLY N N 74 110.596 126.201 -15.605 1
1 541 . 5 1 1 A 75 75 ALA H H 75 8.168 8.622 -0.454 1
1 542 . 5 1 1 A 75 75 ALA HA H 75 4.320 4.705 -0.385 1
1 546 . 5 1 1 A 75 75 ALA N N 75 123.148 124.856 -1.708 1
1 547 . 5 1 1 A 83 83 LYS H H 83 8.334 8.035 0.299 1
1 548 . 5 1 1 A 83 83 LYS HA H 83 4.318 3.888 0.430 1
1 553 . 5 1 1 A 83 83 LYS N N 83 120.883 117.103 3.780 1
1 554 . 5 1 1 A 84 84 GLN H H 84 8.533 7.851 0.682 1
1 555 . 5 1 1 A 84 84 GLN HA H 84 4.381 4.731 -0.350 1
1 560 . 5 1 1 A 84 84 GLN N N 84 123.135 120.425 2.710 1
1 562 . 5 1 1 A 85 85 GLU HA H 85 4.161 4.682 -0.521 1
1 1 . 6 1 1 A 4 4 GLU H H 4 8.653 8.981 -0.328 1
1 2 . 6 1 1 A 4 4 GLU HA H 4 4.327 4.908 -0.581 1
1 7 . 6 1 1 A 4 4 GLU N N 4 123.651 127.509 -3.858 1
1 8 . 6 1 1 A 5 5 VAL H H 5 8.248 8.398 -0.150 1
1 9 . 6 1 1 A 5 5 VAL HA H 5 4.140 4.265 -0.125 1
1 17 . 6 1 1 A 5 5 VAL N N 5 120.477 124.772 -4.295 1
1 18 . 6 1 1 A 6 6 ASN H H 6 8.569 7.892 0.677 1
1 19 . 6 1 1 A 6 6 ASN HA H 6 4.757 4.705 0.052 1
1 22 . 6 1 1 A 6 6 ASN N N 6 121.940 120.034 1.906 1
1 23 . 6 1 1 A 7 7 VAL H H 7 8.105 8.387 -0.282 1
1 24 . 6 1 1 A 7 7 VAL HA H 7 4.449 4.517 -0.068 1
1 32 . 6 1 1 A 7 7 VAL N N 7 121.599 124.048 -2.449 1
1 34 . 6 1 1 A 9 9 ASP H H 9 8.358 8.829 -0.471 1
1 35 . 6 1 1 A 9 9 ASP HA H 9 4.568 4.768 -0.200 1
1 38 . 6 1 1 A 9 9 ASP N N 9 120.191 120.705 -0.514 1
1 91 . 6 1 1 A 16 16 VAL H H 16 8.199 8.846 -0.647 1
1 92 . 6 1 1 A 16 16 VAL HA H 16 4.079 4.540 -0.461 1
1 100 . 6 1 1 A 16 16 VAL N N 16 121.212 129.237 -8.025 1
1 101 . 6 1 1 A 17 17 MET H H 17 8.406 7.868 0.538 1
1 102 . 6 1 1 A 17 17 MET HA H 17 4.519 4.536 -0.017 1
1 107 . 6 1 1 A 17 17 MET N N 17 124.123 118.780 5.343 1
1 108 . 6 1 1 A 18 18 VAL H H 18 8.172 8.617 -0.445 1
1 109 . 6 1 1 A 18 18 VAL HA H 18 4.091 4.545 -0.454 1
1 117 . 6 1 1 A 18 18 VAL N N 18 122.154 118.973 3.181 1
1 118 . 6 1 1 A 19 19 LYS H H 19 8.454 8.151 0.303 1
1 119 . 6 1 1 A 19 19 LYS HA H 19 4.412 3.935 0.477 1
1 124 . 6 1 1 A 19 19 LYS N N 19 125.694 121.442 4.252 1
1 125 . 6 1 1 A 20 20 VAL H H 20 8.293 8.288 0.005 1
1 126 . 6 1 1 A 20 20 VAL HA H 20 4.105 3.869 0.236 1
1 134 . 6 1 1 A 20 20 VAL N N 20 122.063 113.130 8.933 1
1 135 . 6 1 1 A 21 21 GLY H H 21 8.519 8.203 0.316 1
1 138 . 6 1 1 A 21 21 GLY N N 21 112.272 127.989 -15.717 1
1 139 . 6 1 1 A 22 22 ASP H H 22 8.319 7.533 0.786 1
1 140 . 6 1 1 A 22 22 ASP HA H 22 4.627 4.283 0.344 1
1 143 . 6 1 1 A 22 22 ASP N N 22 120.284 114.622 5.662 1
1 144 . 6 1 1 A 24 24 VAL H H 24 8.141 8.865 -0.724 1
1 145 . 6 1 1 A 24 24 VAL HA H 24 4.077 4.326 -0.249 1
1 153 . 6 1 1 A 24 24 VAL N N 24 121.156 126.906 -5.750 1
1 154 . 6 1 1 A 25 25 ALA H H 25 8.376 7.453 0.923 1
1 159 . 6 1 1 A 25 25 ALA N N 25 127.378 108.804 18.574 1
1 160 . 6 1 1 A 26 26 ALA H H 26 8.260 8.371 -0.111 1
1 161 . 6 1 1 A 26 26 ALA HA H 26 4.302 4.794 -0.492 1
1 165 . 6 1 1 A 26 26 ALA N N 26 123.214 120.617 2.597 1
1 166 . 6 1 1 A 27 27 GLU H H 27 8.387 8.479 -0.092 1
1 167 . 6 1 1 A 27 27 GLU HA H 27 4.253 4.525 -0.272 1
1 172 . 6 1 1 A 27 27 GLU N N 27 119.491 123.861 -4.370 1
1 173 . 6 1 1 A 28 28 GLN H H 28 8.359 8.476 -0.117 1
1 174 . 6 1 1 A 28 28 GLN HA H 28 4.343 4.185 0.158 1
1 179 . 6 1 1 A 28 28 GLN N N 28 120.668 116.920 3.748 1
1 180 . 6 1 1 A 29 29 SER H H 29 8.338 8.403 -0.065 1
1 181 . 6 1 1 A 29 29 SER HA H 29 4.444 4.441 0.003 1
1 184 . 6 1 1 A 29 29 SER N N 29 116.599 127.260 -10.661 1
1 185 . 6 1 1 A 30 30 LEU H H 30 8.242 7.957 0.285 1
1 186 . 6 1 1 A 30 30 LEU HA H 30 4.407 4.034 0.373 1
1 195 . 6 1 1 A 30 30 LEU N N 30 123.757 118.715 5.042 1
1 196 . 6 1 1 A 31 31 ILE H H 31 8.099 8.233 -0.134 1
1 197 . 6 1 1 A 31 31 ILE HA H 31 4.264 4.471 -0.207 1
1 207 . 6 1 1 A 31 31 ILE N N 31 121.487 123.797 -2.310 1
1 208 . 6 1 1 A 32 32 THR H H 32 8.295 7.960 0.335 1
1 209 . 6 1 1 A 32 32 THR HA H 32 4.420 4.733 -0.313 1
1 214 . 6 1 1 A 32 32 THR N N 32 119.296 114.917 4.379 1
1 215 . 6 1 1 A 33 33 VAL H H 33 8.291 8.838 -0.547 1
1 216 . 6 1 1 A 33 33 VAL HA H 33 4.188 4.062 0.126 1
1 224 . 6 1 1 A 33 33 VAL N N 33 122.829 115.395 7.434 1
1 225 . 6 1 1 A 34 34 GLU H H 34 8.548 8.609 -0.061 1
1 226 . 6 1 1 A 34 34 GLU HA H 34 4.316 4.523 -0.207 1
1 231 . 6 1 1 A 34 34 GLU N N 34 124.786 126.539 -1.753 1
1 232 . 6 1 1 A 35 35 GLY H H 35 8.460 8.588 -0.128 1
1 235 . 6 1 1 A 35 35 GLY N N 35 110.109 122.832 -12.723 1
1 236 . 6 1 1 A 36 36 ASP H H 36 8.210 7.745 0.465 1
1 237 . 6 1 1 A 36 36 ASP HA H 36 4.603 4.254 0.349 1
1 240 . 6 1 1 A 36 36 ASP N N 36 120.341 115.729 4.612 1
1 241 . 6 1 1 A 37 37 LYS H H 37 8.282 8.792 -0.510 1
1 242 . 6 1 1 A 37 37 LYS HA H 37 4.347 4.150 0.197 1
1 247 . 6 1 1 A 37 37 LYS N N 37 121.069 125.234 -4.165 1
1 248 . 6 1 1 A 38 38 ALA H H 38 8.506 8.115 0.391 1
1 249 . 6 1 1 A 38 38 ALA HA H 38 4.556 4.173 0.383 1
1 253 . 6 1 1 A 38 38 ALA N N 38 124.365 120.713 3.652 1
1 254 . 6 1 1 A 39 39 SER H H 39 8.313 8.591 -0.278 1
1 258 . 6 1 1 A 39 39 SER N N 39 114.897 111.292 3.605 1
1 259 . 6 1 1 A 40 40 MET H H 40 9.298 7.823 1.475 1
1 260 . 6 1 1 A 40 40 MET HA H 40 4.811 4.557 0.254 1
1 268 . 6 1 1 A 40 40 MET N N 40 121.658 118.117 3.541 1
1 269 . 6 1 1 A 41 41 GLU H H 41 8.724 8.835 -0.111 1
1 270 . 6 1 1 A 41 41 GLU HA H 41 4.150 4.639 -0.489 1
1 275 . 6 1 1 A 41 41 GLU N N 41 123.119 119.692 3.427 1
1 276 . 6 1 1 A 42 42 VAL H H 42 8.274 7.852 0.422 1
1 277 . 6 1 1 A 42 42 VAL HA H 42 4.350 4.354 -0.004 1
1 285 . 6 1 1 A 42 42 VAL N N 42 121.303 122.324 -1.021 1
1 286 . 6 1 1 A 43 43 PRO HA H 43 5.103 4.379 0.724 1
1 291 . 6 1 1 A 44 44 ALA H H 44 9.279 8.590 0.689 1
1 292 . 6 1 1 A 44 44 ALA HA H 44 4.286 4.936 -0.650 1
1 296 . 6 1 1 A 44 44 ALA N N 44 122.132 126.510 -4.378 1
1 297 . 6 1 1 A 45 45 PRO HA H 45 4.429 4.567 -0.138 1
1 304 . 6 1 1 A 46 46 PHE H H 46 7.058 8.365 -1.307 1
1 305 . 6 1 1 A 46 46 PHE HA H 46 4.931 4.393 0.538 1
1 313 . 6 1 1 A 46 46 PHE N N 46 113.563 122.808 -9.245 1
1 315 . 6 1 1 A 47 47 ALA HA H 47 4.545 4.712 -0.167 1
1 319 . 6 1 1 A 47 47 ALA N N 47 118.533 139.439 -20.906 1
1 320 . 6 1 1 A 48 48 GLY H H 48 7.946 8.307 -0.361 1
1 323 . 6 1 1 A 48 48 GLY N N 48 104.283 123.352 -19.069 1
1 325 . 6 1 1 A 49 49 VAL HA H 49 4.758 4.502 0.256 1
1 333 . 6 1 1 A 49 49 VAL N N 49 119.387 135.352 -15.965 1
1 334 . 6 1 1 A 50 50 VAL H H 50 8.812 7.164 1.648 1
1 335 . 6 1 1 A 50 50 VAL HA H 50 3.672 5.019 -1.347 1
1 343 . 6 1 1 A 50 50 VAL N N 50 126.035 112.258 13.777 1
1 344 . 6 1 1 A 51 51 LYS H H 51 9.404 8.434 0.970 1
1 345 . 6 1 1 A 51 51 LYS HA H 51 4.617 4.104 0.513 1
1 348 . 6 1 1 A 51 51 LYS N N 51 132.567 122.899 9.668 1
1 349 . 6 1 1 A 52 52 GLU H H 52 7.835 8.095 -0.260 1
1 355 . 6 1 1 A 52 52 GLU N N 52 114.290 106.840 7.450 1
1 356 . 6 1 1 A 53 53 LEU H H 53 9.245 8.497 0.748 1
1 357 . 6 1 1 A 53 53 LEU HA H 53 4.671 4.928 -0.257 1
1 367 . 6 1 1 A 53 53 LEU N N 53 126.224 120.085 6.139 1
1 368 . 6 1 1 A 54 54 LYS H H 54 7.816 9.027 -1.211 1
1 369 . 6 1 1 A 54 54 LYS HA H 54 4.632 3.939 0.693 1
1 376 . 6 1 1 A 54 54 LYS N N 54 118.189 126.918 -8.729 1
1 377 . 6 1 1 A 55 55 VAL H H 55 7.145 8.883 -1.738 1
1 378 . 6 1 1 A 55 55 VAL HA H 55 4.740 4.227 0.513 1
1 386 . 6 1 1 A 55 55 VAL N N 55 108.573 129.744 -21.171 1
1 387 . 6 1 1 A 56 56 ASN H H 56 8.970 7.606 1.364 1
1 388 . 6 1 1 A 56 56 ASN HA H 56 5.003 4.651 0.352 1
1 393 . 6 1 1 A 56 56 ASN N N 56 118.276 113.991 4.285 1
1 395 . 6 1 1 A 57 57 VAL H H 57 8.721 8.925 -0.204 1
1 396 . 6 1 1 A 57 57 VAL HA H 57 3.277 4.848 -1.571 1
1 404 . 6 1 1 A 57 57 VAL N N 57 119.437 120.732 -1.295 1
1 405 . 6 1 1 A 58 58 GLY H H 58 9.282 7.941 1.341 1
1 408 . 6 1 1 A 58 58 GLY N N 58 116.296 117.588 -1.292 1
1 409 . 6 1 1 A 59 59 ASP H H 59 8.035 7.343 0.692 1
1 410 . 6 1 1 A 59 59 ASP HA H 59 4.600 4.770 -0.170 1
1 413 . 6 1 1 A 59 59 ASP N N 59 121.238 115.599 5.639 1
1 414 . 6 1 1 A 60 60 LYS H H 60 8.577 8.876 -0.299 1
1 415 . 6 1 1 A 60 60 LYS HA H 60 4.648 5.266 -0.618 1
1 424 . 6 1 1 A 60 60 LYS N N 60 121.491 121.410 0.081 1
1 425 . 6 1 1 A 61 61 VAL H H 61 8.939 8.546 0.393 1
1 426 . 6 1 1 A 61 61 VAL HA H 61 4.461 3.496 0.965 1
1 434 . 6 1 1 A 61 61 VAL N N 61 121.545 122.319 -0.774 1
1 435 . 6 1 1 A 62 62 LYS H H 62 8.182 8.878 -0.696 1
1 443 . 6 1 1 A 62 62 LYS N N 62 122.901 115.286 7.615 1
1 444 . 6 1 1 A 63 63 THR H H 63 8.399 7.763 0.636 1
1 445 . 6 1 1 A 63 63 THR HA H 63 3.932 4.669 -0.737 1
1 450 . 6 1 1 A 63 63 THR N N 63 118.278 121.263 -2.985 1
1 451 . 6 1 1 A 64 64 GLY H H 64 9.075 8.387 0.688 1
1 454 . 6 1 1 A 64 64 GLY N N 64 115.336 123.888 -8.552 1
1 455 . 6 1 1 A 65 65 SER H H 65 8.207 8.394 -0.187 1
1 456 . 6 1 1 A 65 65 SER HA H 65 4.339 4.927 -0.588 1
1 459 . 6 1 1 A 65 65 SER N N 65 117.597 120.554 -2.957 1
1 460 . 6 1 1 A 66 66 LEU H H 66 8.666 8.162 0.504 1
1 461 . 6 1 1 A 66 66 LEU HA H 66 4.213 4.860 -0.647 1
1 471 . 6 1 1 A 66 66 LEU N N 66 124.519 124.386 0.133 1
1 472 . 6 1 1 A 67 67 ILE H H 67 8.663 8.547 0.116 1
1 473 . 6 1 1 A 67 67 ILE HA H 67 4.853 4.211 0.642 1
1 483 . 6 1 1 A 67 67 ILE N N 67 115.104 114.824 0.280 1
1 484 . 6 1 1 A 68 68 MET H H 68 7.736 8.914 -1.178 1
1 490 . 6 1 1 A 68 68 MET N N 68 118.031 114.988 3.043 1
1 491 . 6 1 1 A 69 69 ILE H H 69 8.735 7.486 1.249 1
1 492 . 6 1 1 A 69 69 ILE HA H 69 4.853 4.598 0.255 1
1 502 . 6 1 1 A 69 69 ILE N N 69 118.189 115.268 2.921 1
1 503 . 6 1 1 A 70 70 PHE H H 70 9.447 8.856 0.591 1
1 504 . 6 1 1 A 70 70 PHE HA H 70 5.895 4.431 1.464 1
1 512 . 6 1 1 A 70 70 PHE N N 70 127.483 124.334 3.149 1
1 513 . 6 1 1 A 71 71 GLU H H 71 9.633 8.722 0.911 1
1 514 . 6 1 1 A 71 71 GLU HA H 71 5.109 4.444 0.665 1
1 519 . 6 1 1 A 71 71 GLU N N 71 121.073 118.016 3.057 1
1 520 . 6 1 1 A 72 72 VAL H H 72 8.756 7.722 1.034 1
1 521 . 6 1 1 A 72 72 VAL HA H 72 4.669 4.894 -0.225 1
1 529 . 6 1 1 A 72 72 VAL N N 72 121.923 119.716 2.207 1
1 530 . 6 1 1 A 73 73 GLU H H 73 8.495 8.438 0.057 1
1 531 . 6 1 1 A 73 73 GLU HA H 73 4.374 4.797 -0.423 1
1 536 . 6 1 1 A 73 73 GLU N N 73 122.566 120.645 1.921 1
1 537 . 6 1 1 A 74 74 GLY H H 74 8.462 9.212 -0.750 1
1 540 . 6 1 1 A 74 74 GLY N N 74 110.596 125.691 -15.095 1
1 541 . 6 1 1 A 75 75 ALA H H 75 8.168 9.029 -0.861 1
1 542 . 6 1 1 A 75 75 ALA HA H 75 4.320 4.635 -0.315 1
1 546 . 6 1 1 A 75 75 ALA N N 75 123.148 124.735 -1.587 1
1 547 . 6 1 1 A 83 83 LYS H H 83 8.334 8.619 -0.285 1
1 548 . 6 1 1 A 83 83 LYS HA H 83 4.318 3.945 0.373 1
1 553 . 6 1 1 A 83 83 LYS N N 83 120.883 121.443 -0.560 1
1 554 . 6 1 1 A 84 84 GLN H H 84 8.533 8.117 0.416 1
1 555 . 6 1 1 A 84 84 GLN HA H 84 4.381 4.197 0.184 1
1 560 . 6 1 1 A 84 84 GLN N N 84 123.135 127.467 -4.332 1
1 562 . 6 1 1 A 85 85 GLU HA H 85 4.161 4.332 -0.171 1
1 1 . 7 1 1 A 4 4 GLU H H 4 8.653 8.874 -0.221 1
1 2 . 7 1 1 A 4 4 GLU HA H 4 4.327 4.875 -0.548 1
1 7 . 7 1 1 A 4 4 GLU N N 4 123.651 125.363 -1.712 1
1 8 . 7 1 1 A 5 5 VAL H H 5 8.248 8.618 -0.370 1
1 9 . 7 1 1 A 5 5 VAL HA H 5 4.140 3.959 0.181 1
1 17 . 7 1 1 A 5 5 VAL N N 5 120.477 122.752 -2.275 1
1 18 . 7 1 1 A 6 6 ASN H H 6 8.569 7.750 0.819 1
1 19 . 7 1 1 A 6 6 ASN HA H 6 4.757 5.130 -0.373 1
1 22 . 7 1 1 A 6 6 ASN N N 6 121.940 119.324 2.616 1
1 23 . 7 1 1 A 7 7 VAL H H 7 8.105 8.603 -0.498 1
1 24 . 7 1 1 A 7 7 VAL HA H 7 4.449 4.506 -0.057 1
1 32 . 7 1 1 A 7 7 VAL N N 7 121.599 119.435 2.164 1
1 34 . 7 1 1 A 9 9 ASP H H 9 8.358 8.680 -0.322 1
1 35 . 7 1 1 A 9 9 ASP HA H 9 4.568 4.782 -0.214 1
1 38 . 7 1 1 A 9 9 ASP N N 9 120.191 122.378 -2.187 1
1 91 . 7 1 1 A 16 16 VAL H H 16 8.199 8.657 -0.458 1
1 92 . 7 1 1 A 16 16 VAL HA H 16 4.079 4.593 -0.514 1
1 100 . 7 1 1 A 16 16 VAL N N 16 121.212 126.756 -5.544 1
1 101 . 7 1 1 A 17 17 MET H H 17 8.406 8.413 -0.007 1
1 102 . 7 1 1 A 17 17 MET HA H 17 4.519 4.713 -0.194 1
1 107 . 7 1 1 A 17 17 MET N N 17 124.123 122.120 2.003 1
1 108 . 7 1 1 A 18 18 VAL H H 18 8.172 8.879 -0.707 1
1 109 . 7 1 1 A 18 18 VAL HA H 18 4.091 5.048 -0.957 1
1 117 . 7 1 1 A 18 18 VAL N N 18 122.154 119.677 2.477 1
1 118 . 7 1 1 A 19 19 LYS H H 19 8.454 8.587 -0.133 1
1 119 . 7 1 1 A 19 19 LYS HA H 19 4.412 4.420 -0.008 1
1 124 . 7 1 1 A 19 19 LYS N N 19 125.694 124.968 0.726 1
1 125 . 7 1 1 A 20 20 VAL H H 20 8.293 8.434 -0.141 1
1 126 . 7 1 1 A 20 20 VAL HA H 20 4.105 3.987 0.118 1
1 134 . 7 1 1 A 20 20 VAL N N 20 122.063 123.931 -1.868 1
1 135 . 7 1 1 A 21 21 GLY H H 21 8.519 8.625 -0.106 1
1 138 . 7 1 1 A 21 21 GLY N N 21 112.272 120.511 -8.239 1
1 139 . 7 1 1 A 22 22 ASP H H 22 8.319 8.106 0.213 1
1 140 . 7 1 1 A 22 22 ASP HA H 22 4.627 4.672 -0.045 1
1 143 . 7 1 1 A 22 22 ASP N N 22 120.284 116.817 3.467 1
1 144 . 7 1 1 A 24 24 VAL H H 24 8.141 8.704 -0.563 1
1 145 . 7 1 1 A 24 24 VAL HA H 24 4.077 3.786 0.291 1
1 153 . 7 1 1 A 24 24 VAL N N 24 121.156 118.163 2.993 1
1 154 . 7 1 1 A 25 25 ALA H H 25 8.376 8.122 0.254 1
1 159 . 7 1 1 A 25 25 ALA N N 25 127.378 113.574 13.804 1
1 160 . 7 1 1 A 26 26 ALA H H 26 8.260 8.476 -0.216 1
1 161 . 7 1 1 A 26 26 ALA HA H 26 4.302 4.643 -0.341 1
1 165 . 7 1 1 A 26 26 ALA N N 26 123.214 121.883 1.331 1
1 166 . 7 1 1 A 27 27 GLU H H 27 8.387 8.610 -0.223 1
1 167 . 7 1 1 A 27 27 GLU HA H 27 4.253 4.575 -0.322 1
1 172 . 7 1 1 A 27 27 GLU N N 27 119.491 118.053 1.438 1
1 173 . 7 1 1 A 28 28 GLN H H 28 8.359 7.483 0.876 1
1 174 . 7 1 1 A 28 28 GLN HA H 28 4.343 3.980 0.363 1
1 179 . 7 1 1 A 28 28 GLN N N 28 120.668 122.574 -1.906 1
1 180 . 7 1 1 A 29 29 SER H H 29 8.338 8.564 -0.226 1
1 181 . 7 1 1 A 29 29 SER HA H 29 4.444 4.023 0.421 1
1 184 . 7 1 1 A 29 29 SER N N 29 116.599 128.676 -12.077 1
1 185 . 7 1 1 A 30 30 LEU H H 30 8.242 7.948 0.294 1
1 186 . 7 1 1 A 30 30 LEU HA H 30 4.407 4.049 0.358 1
1 195 . 7 1 1 A 30 30 LEU N N 30 123.757 118.352 5.405 1
1 196 . 7 1 1 A 31 31 ILE H H 31 8.099 8.488 -0.389 1
1 197 . 7 1 1 A 31 31 ILE HA H 31 4.264 4.483 -0.219 1
1 207 . 7 1 1 A 31 31 ILE N N 31 121.487 116.139 5.348 1
1 208 . 7 1 1 A 32 32 THR H H 32 8.295 8.025 0.270 1
1 209 . 7 1 1 A 32 32 THR HA H 32 4.420 3.987 0.433 1
1 214 . 7 1 1 A 32 32 THR N N 32 119.296 118.613 0.683 1
1 215 . 7 1 1 A 33 33 VAL H H 33 8.291 8.198 0.093 1
1 216 . 7 1 1 A 33 33 VAL HA H 33 4.188 5.081 -0.893 1
1 224 . 7 1 1 A 33 33 VAL N N 33 122.829 121.419 1.410 1
1 225 . 7 1 1 A 34 34 GLU H H 34 8.548 8.982 -0.434 1
1 226 . 7 1 1 A 34 34 GLU HA H 34 4.316 4.731 -0.415 1
1 231 . 7 1 1 A 34 34 GLU N N 34 124.786 126.925 -2.139 1
1 232 . 7 1 1 A 35 35 GLY H H 35 8.460 8.689 -0.229 1
1 235 . 7 1 1 A 35 35 GLY N N 35 110.109 118.318 -8.209 1
1 236 . 7 1 1 A 36 36 ASP H H 36 8.210 7.617 0.593 1
1 237 . 7 1 1 A 36 36 ASP HA H 36 4.603 4.301 0.302 1
1 240 . 7 1 1 A 36 36 ASP N N 36 120.341 119.121 1.220 1
1 241 . 7 1 1 A 37 37 LYS H H 37 8.282 8.508 -0.226 1
1 242 . 7 1 1 A 37 37 LYS HA H 37 4.347 4.607 -0.260 1
1 247 . 7 1 1 A 37 37 LYS N N 37 121.069 122.806 -1.737 1
1 248 . 7 1 1 A 38 38 ALA H H 38 8.506 9.201 -0.695 1
1 249 . 7 1 1 A 38 38 ALA HA H 38 4.556 4.998 -0.442 1
1 253 . 7 1 1 A 38 38 ALA N N 38 124.365 118.069 6.296 1
1 254 . 7 1 1 A 39 39 SER H H 39 8.313 9.092 -0.779 1
1 258 . 7 1 1 A 39 39 SER N N 39 114.897 108.979 5.918 1
1 259 . 7 1 1 A 40 40 MET H H 40 9.298 8.387 0.911 1
1 260 . 7 1 1 A 40 40 MET HA H 40 4.811 4.410 0.401 1
1 268 . 7 1 1 A 40 40 MET N N 40 121.658 124.144 -2.486 1
1 269 . 7 1 1 A 41 41 GLU H H 41 8.724 8.881 -0.157 1
1 270 . 7 1 1 A 41 41 GLU HA H 41 4.150 3.920 0.230 1
1 275 . 7 1 1 A 41 41 GLU N N 41 123.119 122.350 0.769 1
1 276 . 7 1 1 A 42 42 VAL H H 42 8.274 8.290 -0.016 1
1 277 . 7 1 1 A 42 42 VAL HA H 42 4.350 4.536 -0.186 1
1 285 . 7 1 1 A 42 42 VAL N N 42 121.303 124.534 -3.231 1
1 286 . 7 1 1 A 43 43 PRO HA H 43 5.103 4.348 0.755 1
1 291 . 7 1 1 A 44 44 ALA H H 44 9.279 8.673 0.606 1
1 292 . 7 1 1 A 44 44 ALA HA H 44 4.286 4.844 -0.558 1
1 296 . 7 1 1 A 44 44 ALA N N 44 122.132 126.307 -4.175 1
1 297 . 7 1 1 A 45 45 PRO HA H 45 4.429 4.280 0.149 1
1 304 . 7 1 1 A 46 46 PHE H H 46 7.058 8.868 -1.810 1
1 305 . 7 1 1 A 46 46 PHE HA H 46 4.931 4.881 0.050 1
1 313 . 7 1 1 A 46 46 PHE N N 46 113.563 116.030 -2.467 1
1 315 . 7 1 1 A 47 47 ALA HA H 47 4.545 4.780 -0.235 1
1 319 . 7 1 1 A 47 47 ALA N N 47 118.533 138.663 -20.130 1
1 320 . 7 1 1 A 48 48 GLY H H 48 7.946 8.382 -0.436 1
1 323 . 7 1 1 A 48 48 GLY N N 48 104.283 123.531 -19.248 1
1 325 . 7 1 1 A 49 49 VAL HA H 49 4.758 4.496 0.262 1
1 333 . 7 1 1 A 49 49 VAL N N 49 119.387 134.722 -15.335 1
1 334 . 7 1 1 A 50 50 VAL H H 50 8.812 7.148 1.664 1
1 335 . 7 1 1 A 50 50 VAL HA H 50 3.672 5.026 -1.354 1
1 343 . 7 1 1 A 50 50 VAL N N 50 126.035 112.301 13.734 1
1 344 . 7 1 1 A 51 51 LYS H H 51 9.404 8.529 0.875 1
1 345 . 7 1 1 A 51 51 LYS HA H 51 4.617 4.042 0.575 1
1 348 . 7 1 1 A 51 51 LYS N N 51 132.567 123.168 9.399 1
1 349 . 7 1 1 A 52 52 GLU H H 52 7.835 8.076 -0.241 1
1 355 . 7 1 1 A 52 52 GLU N N 52 114.290 108.058 6.232 1
1 356 . 7 1 1 A 53 53 LEU H H 53 9.245 8.452 0.793 1
1 357 . 7 1 1 A 53 53 LEU HA H 53 4.671 4.847 -0.176 1
1 367 . 7 1 1 A 53 53 LEU N N 53 126.224 119.621 6.603 1
1 368 . 7 1 1 A 54 54 LYS H H 54 7.816 9.108 -1.292 1
1 369 . 7 1 1 A 54 54 LYS HA H 54 4.632 4.070 0.562 1
1 376 . 7 1 1 A 54 54 LYS N N 54 118.189 127.250 -9.061 1
1 377 . 7 1 1 A 55 55 VAL H H 55 7.145 9.059 -1.914 1
1 378 . 7 1 1 A 55 55 VAL HA H 55 4.740 4.491 0.249 1
1 386 . 7 1 1 A 55 55 VAL N N 55 108.573 129.428 -20.855 1
1 387 . 7 1 1 A 56 56 ASN H H 56 8.970 7.932 1.038 1
1 388 . 7 1 1 A 56 56 ASN HA H 56 5.003 4.735 0.268 1
1 393 . 7 1 1 A 56 56 ASN N N 56 118.276 117.620 0.656 1
1 395 . 7 1 1 A 57 57 VAL H H 57 8.721 8.833 -0.112 1
1 396 . 7 1 1 A 57 57 VAL HA H 57 3.277 4.625 -1.348 1
1 404 . 7 1 1 A 57 57 VAL N N 57 119.437 128.285 -8.848 1
1 405 . 7 1 1 A 58 58 GLY H H 58 9.282 8.347 0.935 1
1 408 . 7 1 1 A 58 58 GLY N N 58 116.296 125.750 -9.454 1
1 409 . 7 1 1 A 59 59 ASP H H 59 8.035 7.273 0.762 1
1 410 . 7 1 1 A 59 59 ASP HA H 59 4.600 4.870 -0.270 1
1 413 . 7 1 1 A 59 59 ASP N N 59 121.238 114.188 7.050 1
1 414 . 7 1 1 A 60 60 LYS H H 60 8.577 9.045 -0.468 1
1 415 . 7 1 1 A 60 60 LYS HA H 60 4.648 5.233 -0.585 1
1 424 . 7 1 1 A 60 60 LYS N N 60 121.491 121.658 -0.167 1
1 425 . 7 1 1 A 61 61 VAL H H 61 8.939 8.503 0.436 1
1 426 . 7 1 1 A 61 61 VAL HA H 61 4.461 3.497 0.964 1
1 434 . 7 1 1 A 61 61 VAL N N 61 121.545 122.455 -0.910 1
1 435 . 7 1 1 A 62 62 LYS H H 62 8.182 8.819 -0.637 1
1 443 . 7 1 1 A 62 62 LYS N N 62 122.901 114.694 8.207 1
1 444 . 7 1 1 A 63 63 THR H H 63 8.399 7.870 0.529 1
1 445 . 7 1 1 A 63 63 THR HA H 63 3.932 4.899 -0.967 1
1 450 . 7 1 1 A 63 63 THR N N 63 118.278 121.152 -2.874 1
1 451 . 7 1 1 A 64 64 GLY H H 64 9.075 8.454 0.621 1
1 454 . 7 1 1 A 64 64 GLY N N 64 115.336 124.858 -9.522 1
1 455 . 7 1 1 A 65 65 SER H H 65 8.207 8.375 -0.168 1
1 456 . 7 1 1 A 65 65 SER HA H 65 4.339 4.960 -0.621 1
1 459 . 7 1 1 A 65 65 SER N N 65 117.597 121.114 -3.517 1
1 460 . 7 1 1 A 66 66 LEU H H 66 8.666 8.589 0.077 1
1 461 . 7 1 1 A 66 66 LEU HA H 66 4.213 4.918 -0.705 1
1 471 . 7 1 1 A 66 66 LEU N N 66 124.519 126.074 -1.555 1
1 472 . 7 1 1 A 67 67 ILE H H 67 8.663 8.659 0.004 1
1 473 . 7 1 1 A 67 67 ILE HA H 67 4.853 3.830 1.023 1
1 483 . 7 1 1 A 67 67 ILE N N 67 115.104 117.773 -2.669 1
1 484 . 7 1 1 A 68 68 MET H H 68 7.736 8.952 -1.216 1
1 490 . 7 1 1 A 68 68 MET N N 68 118.031 115.355 2.676 1
1 491 . 7 1 1 A 69 69 ILE H H 69 8.735 7.855 0.880 1
1 492 . 7 1 1 A 69 69 ILE HA H 69 4.853 4.590 0.263 1
1 502 . 7 1 1 A 69 69 ILE N N 69 118.189 117.157 1.032 1
1 503 . 7 1 1 A 70 70 PHE H H 70 9.447 8.733 0.714 1
1 504 . 7 1 1 A 70 70 PHE HA H 70 5.895 4.414 1.481 1
1 512 . 7 1 1 A 70 70 PHE N N 70 127.483 125.120 2.363 1
1 513 . 7 1 1 A 71 71 GLU H H 71 9.633 8.819 0.814 1
1 514 . 7 1 1 A 71 71 GLU HA H 71 5.109 4.411 0.698 1
1 519 . 7 1 1 A 71 71 GLU N N 71 121.073 117.431 3.642 1
1 520 . 7 1 1 A 72 72 VAL H H 72 8.756 7.732 1.024 1
1 521 . 7 1 1 A 72 72 VAL HA H 72 4.669 4.651 0.018 1
1 529 . 7 1 1 A 72 72 VAL N N 72 121.923 117.756 4.167 1
1 530 . 7 1 1 A 73 73 GLU H H 73 8.495 8.055 0.440 1
1 531 . 7 1 1 A 73 73 GLU HA H 73 4.374 4.692 -0.318 1
1 536 . 7 1 1 A 73 73 GLU N N 73 122.566 120.999 1.567 1
1 537 . 7 1 1 A 74 74 GLY H H 74 8.462 8.945 -0.483 1
1 540 . 7 1 1 A 74 74 GLY N N 74 110.596 126.525 -15.929 1
1 541 . 7 1 1 A 75 75 ALA H H 75 8.168 8.524 -0.356 1
1 542 . 7 1 1 A 75 75 ALA HA H 75 4.320 4.711 -0.391 1
1 546 . 7 1 1 A 75 75 ALA N N 75 123.148 124.562 -1.414 1
1 547 . 7 1 1 A 83 83 LYS H H 83 8.334 8.628 -0.294 1
1 548 . 7 1 1 A 83 83 LYS HA H 83 4.318 4.712 -0.394 1
1 553 . 7 1 1 A 83 83 LYS N N 83 120.883 127.523 -6.640 1
1 554 . 7 1 1 A 84 84 GLN H H 84 8.533 8.876 -0.343 1
1 555 . 7 1 1 A 84 84 GLN HA H 84 4.381 4.216 0.165 1
1 560 . 7 1 1 A 84 84 GLN N N 84 123.135 127.344 -4.209 1
1 562 . 7 1 1 A 85 85 GLU HA H 85 4.161 4.355 -0.194 1
1 1 . 8 1 1 A 4 4 GLU H H 4 8.653 8.821 -0.168 1
1 2 . 8 1 1 A 4 4 GLU HA H 4 4.327 4.618 -0.291 1
1 7 . 8 1 1 A 4 4 GLU N N 4 123.651 123.949 -0.298 1
1 8 . 8 1 1 A 5 5 VAL H H 5 8.248 8.672 -0.424 1
1 9 . 8 1 1 A 5 5 VAL HA H 5 4.140 4.312 -0.172 1
1 17 . 8 1 1 A 5 5 VAL N N 5 120.477 126.562 -6.085 1
1 18 . 8 1 1 A 6 6 ASN H H 6 8.569 8.675 -0.106 1
1 19 . 8 1 1 A 6 6 ASN HA H 6 4.757 4.404 0.353 1
1 22 . 8 1 1 A 6 6 ASN N N 6 121.940 122.984 -1.044 1
1 23 . 8 1 1 A 7 7 VAL H H 7 8.105 8.081 0.024 1
1 24 . 8 1 1 A 7 7 VAL HA H 7 4.449 4.551 -0.102 1
1 32 . 8 1 1 A 7 7 VAL N N 7 121.599 120.808 0.791 1
1 34 . 8 1 1 A 9 9 ASP H H 9 8.358 8.981 -0.623 1
1 35 . 8 1 1 A 9 9 ASP HA H 9 4.568 4.694 -0.126 1
1 38 . 8 1 1 A 9 9 ASP N N 9 120.191 119.624 0.567 1
1 91 . 8 1 1 A 16 16 VAL H H 16 8.199 8.919 -0.720 1
1 92 . 8 1 1 A 16 16 VAL HA H 16 4.079 4.183 -0.104 1
1 100 . 8 1 1 A 16 16 VAL N N 16 121.212 128.314 -7.102 1
1 101 . 8 1 1 A 17 17 MET H H 17 8.406 7.941 0.465 1
1 102 . 8 1 1 A 17 17 MET HA H 17 4.519 4.716 -0.197 1
1 107 . 8 1 1 A 17 17 MET N N 17 124.123 117.502 6.621 1
1 108 . 8 1 1 A 18 18 VAL H H 18 8.172 8.777 -0.605 1
1 109 . 8 1 1 A 18 18 VAL HA H 18 4.091 4.970 -0.879 1
1 117 . 8 1 1 A 18 18 VAL N N 18 122.154 119.387 2.767 1
1 118 . 8 1 1 A 19 19 LYS H H 19 8.454 8.757 -0.303 1
1 119 . 8 1 1 A 19 19 LYS HA H 19 4.412 4.901 -0.489 1
1 124 . 8 1 1 A 19 19 LYS N N 19 125.694 121.535 4.159 1
1 125 . 8 1 1 A 20 20 VAL H H 20 8.293 8.659 -0.366 1
1 126 . 8 1 1 A 20 20 VAL HA H 20 4.105 4.272 -0.167 1
1 134 . 8 1 1 A 20 20 VAL N N 20 122.063 120.998 1.065 1
1 135 . 8 1 1 A 21 21 GLY H H 21 8.519 7.949 0.570 1
1 138 . 8 1 1 A 21 21 GLY N N 21 112.272 121.354 -9.082 1
1 139 . 8 1 1 A 22 22 ASP H H 22 8.319 8.671 -0.352 1
1 140 . 8 1 1 A 22 22 ASP HA H 22 4.627 4.801 -0.174 1
1 143 . 8 1 1 A 22 22 ASP N N 22 120.284 118.592 1.692 1
1 144 . 8 1 1 A 24 24 VAL H H 24 8.141 8.513 -0.372 1
1 145 . 8 1 1 A 24 24 VAL HA H 24 4.077 5.032 -0.955 1
1 153 . 8 1 1 A 24 24 VAL N N 24 121.156 121.731 -0.575 1
1 154 . 8 1 1 A 25 25 ALA H H 25 8.376 8.308 0.068 1
1 159 . 8 1 1 A 25 25 ALA N N 25 127.378 112.991 14.387 1
1 160 . 8 1 1 A 26 26 ALA H H 26 8.260 8.657 -0.397 1
1 161 . 8 1 1 A 26 26 ALA HA H 26 4.302 4.855 -0.553 1
1 165 . 8 1 1 A 26 26 ALA N N 26 123.214 120.282 2.932 1
1 166 . 8 1 1 A 27 27 GLU H H 27 8.387 8.876 -0.489 1
1 167 . 8 1 1 A 27 27 GLU HA H 27 4.253 4.012 0.241 1
1 172 . 8 1 1 A 27 27 GLU N N 27 119.491 125.895 -6.404 1
1 173 . 8 1 1 A 28 28 GLN H H 28 8.359 7.509 0.850 1
1 174 . 8 1 1 A 28 28 GLN HA H 28 4.343 4.092 0.251 1
1 179 . 8 1 1 A 28 28 GLN N N 28 120.668 118.481 2.187 1
1 180 . 8 1 1 A 29 29 SER H H 29 8.338 8.760 -0.422 1
1 181 . 8 1 1 A 29 29 SER HA H 29 4.444 4.048 0.396 1
1 184 . 8 1 1 A 29 29 SER N N 29 116.599 125.007 -8.408 1
1 185 . 8 1 1 A 30 30 LEU H H 30 8.242 7.679 0.563 1
1 186 . 8 1 1 A 30 30 LEU HA H 30 4.407 4.304 0.103 1
1 195 . 8 1 1 A 30 30 LEU N N 30 123.757 118.252 5.505 1
1 196 . 8 1 1 A 31 31 ILE H H 31 8.099 7.871 0.228 1
1 197 . 8 1 1 A 31 31 ILE HA H 31 4.264 4.860 -0.596 1
1 207 . 8 1 1 A 31 31 ILE N N 31 121.487 116.185 5.302 1
1 208 . 8 1 1 A 32 32 THR H H 32 8.295 8.715 -0.420 1
1 209 . 8 1 1 A 32 32 THR HA H 32 4.420 4.781 -0.361 1
1 214 . 8 1 1 A 32 32 THR N N 32 119.296 127.138 -7.842 1
1 215 . 8 1 1 A 33 33 VAL H H 33 8.291 8.869 -0.578 1
1 216 . 8 1 1 A 33 33 VAL HA H 33 4.188 4.981 -0.793 1
1 224 . 8 1 1 A 33 33 VAL N N 33 122.829 122.053 0.776 1
1 225 . 8 1 1 A 34 34 GLU H H 34 8.548 8.632 -0.084 1
1 226 . 8 1 1 A 34 34 GLU HA H 34 4.316 4.620 -0.304 1
1 231 . 8 1 1 A 34 34 GLU N N 34 124.786 125.679 -0.893 1
1 232 . 8 1 1 A 35 35 GLY H H 35 8.460 8.513 -0.053 1
1 235 . 8 1 1 A 35 35 GLY N N 35 110.109 124.977 -14.868 1
1 236 . 8 1 1 A 36 36 ASP H H 36 8.210 9.005 -0.795 1
1 237 . 8 1 1 A 36 36 ASP HA H 36 4.603 4.983 -0.380 1
1 240 . 8 1 1 A 36 36 ASP N N 36 120.341 123.232 -2.891 1
1 241 . 8 1 1 A 37 37 LYS H H 37 8.282 8.565 -0.283 1
1 242 . 8 1 1 A 37 37 LYS HA H 37 4.347 4.198 0.149 1
1 247 . 8 1 1 A 37 37 LYS N N 37 121.069 125.198 -4.129 1
1 248 . 8 1 1 A 38 38 ALA H H 38 8.506 8.643 -0.137 1
1 249 . 8 1 1 A 38 38 ALA HA H 38 4.556 4.882 -0.326 1
1 253 . 8 1 1 A 38 38 ALA N N 38 124.365 120.108 4.257 1
1 254 . 8 1 1 A 39 39 SER H H 39 8.313 8.640 -0.327 1
1 258 . 8 1 1 A 39 39 SER N N 39 114.897 110.816 4.081 1
1 259 . 8 1 1 A 40 40 MET H H 40 9.298 7.692 1.606 1
1 260 . 8 1 1 A 40 40 MET HA H 40 4.811 5.020 -0.209 1
1 268 . 8 1 1 A 40 40 MET N N 40 121.658 117.847 3.811 1
1 269 . 8 1 1 A 41 41 GLU H H 41 8.724 8.819 -0.095 1
1 270 . 8 1 1 A 41 41 GLU HA H 41 4.150 3.887 0.263 1
1 275 . 8 1 1 A 41 41 GLU N N 41 123.119 117.200 5.919 1
1 276 . 8 1 1 A 42 42 VAL H H 42 8.274 8.136 0.138 1
1 277 . 8 1 1 A 42 42 VAL HA H 42 4.350 4.255 0.095 1
1 285 . 8 1 1 A 42 42 VAL N N 42 121.303 125.725 -4.422 1
1 286 . 8 1 1 A 43 43 PRO HA H 43 5.103 4.352 0.751 1
1 291 . 8 1 1 A 44 44 ALA H H 44 9.279 8.635 0.644 1
1 292 . 8 1 1 A 44 44 ALA HA H 44 4.286 4.848 -0.562 1
1 296 . 8 1 1 A 44 44 ALA N N 44 122.132 126.303 -4.171 1
1 297 . 8 1 1 A 45 45 PRO HA H 45 4.429 4.405 0.024 1
1 304 . 8 1 1 A 46 46 PHE H H 46 7.058 8.869 -1.811 1
1 305 . 8 1 1 A 46 46 PHE HA H 46 4.931 4.871 0.060 1
1 313 . 8 1 1 A 46 46 PHE N N 46 113.563 118.941 -5.378 1
1 315 . 8 1 1 A 47 47 ALA HA H 47 4.545 4.726 -0.181 1
1 319 . 8 1 1 A 47 47 ALA N N 47 118.533 138.758 -20.225 1
1 320 . 8 1 1 A 48 48 GLY H H 48 7.946 8.322 -0.376 1
1 323 . 8 1 1 A 48 48 GLY N N 48 104.283 123.116 -18.833 1
1 325 . 8 1 1 A 49 49 VAL HA H 49 4.758 4.504 0.254 1
1 333 . 8 1 1 A 49 49 VAL N N 49 119.387 135.297 -15.910 1
1 334 . 8 1 1 A 50 50 VAL H H 50 8.812 7.057 1.755 1
1 335 . 8 1 1 A 50 50 VAL HA H 50 3.672 4.991 -1.319 1
1 343 . 8 1 1 A 50 50 VAL N N 50 126.035 112.187 13.848 1
1 344 . 8 1 1 A 51 51 LYS H H 51 9.404 8.521 0.883 1
1 345 . 8 1 1 A 51 51 LYS HA H 51 4.617 4.042 0.575 1
1 348 . 8 1 1 A 51 51 LYS N N 51 132.567 122.765 9.802 1
1 349 . 8 1 1 A 52 52 GLU H H 52 7.835 8.152 -0.317 1
1 355 . 8 1 1 A 52 52 GLU N N 52 114.290 107.972 6.318 1
1 356 . 8 1 1 A 53 53 LEU H H 53 9.245 8.506 0.739 1
1 357 . 8 1 1 A 53 53 LEU HA H 53 4.671 4.960 -0.289 1
1 367 . 8 1 1 A 53 53 LEU N N 53 126.224 119.826 6.398 1
1 368 . 8 1 1 A 54 54 LYS H H 54 7.816 9.134 -1.318 1
1 369 . 8 1 1 A 54 54 LYS HA H 54 4.632 3.910 0.722 1
1 376 . 8 1 1 A 54 54 LYS N N 54 118.189 127.399 -9.210 1
1 377 . 8 1 1 A 55 55 VAL H H 55 7.145 8.903 -1.758 1
1 378 . 8 1 1 A 55 55 VAL HA H 55 4.740 4.262 0.478 1
1 386 . 8 1 1 A 55 55 VAL N N 55 108.573 129.796 -21.223 1
1 387 . 8 1 1 A 56 56 ASN H H 56 8.970 7.751 1.219 1
1 388 . 8 1 1 A 56 56 ASN HA H 56 5.003 4.724 0.279 1
1 393 . 8 1 1 A 56 56 ASN N N 56 118.276 115.814 2.462 1
1 395 . 8 1 1 A 57 57 VAL H H 57 8.721 8.506 0.215 1
1 396 . 8 1 1 A 57 57 VAL HA H 57 3.277 4.302 -1.025 1
1 404 . 8 1 1 A 57 57 VAL N N 57 119.437 122.836 -3.399 1
1 405 . 8 1 1 A 58 58 GLY H H 58 9.282 8.691 0.591 1
1 408 . 8 1 1 A 58 58 GLY N N 58 116.296 121.943 -5.647 1
1 409 . 8 1 1 A 59 59 ASP H H 59 8.035 7.278 0.757 1
1 410 . 8 1 1 A 59 59 ASP HA H 59 4.600 4.846 -0.246 1
1 413 . 8 1 1 A 59 59 ASP N N 59 121.238 116.151 5.087 1
1 414 . 8 1 1 A 60 60 LYS H H 60 8.577 8.820 -0.243 1
1 415 . 8 1 1 A 60 60 LYS HA H 60 4.648 5.269 -0.621 1
1 424 . 8 1 1 A 60 60 LYS N N 60 121.491 119.882 1.609 1
1 425 . 8 1 1 A 61 61 VAL H H 61 8.939 8.501 0.438 1
1 426 . 8 1 1 A 61 61 VAL HA H 61 4.461 3.512 0.949 1
1 434 . 8 1 1 A 61 61 VAL N N 61 121.545 122.450 -0.905 1
1 435 . 8 1 1 A 62 62 LYS H H 62 8.182 8.939 -0.757 1
1 443 . 8 1 1 A 62 62 LYS N N 62 122.901 115.086 7.815 1
1 444 . 8 1 1 A 63 63 THR H H 63 8.399 7.561 0.838 1
1 445 . 8 1 1 A 63 63 THR HA H 63 3.932 4.782 -0.850 1
1 450 . 8 1 1 A 63 63 THR N N 63 118.278 121.062 -2.784 1
1 451 . 8 1 1 A 64 64 GLY H H 64 9.075 8.626 0.449 1
1 454 . 8 1 1 A 64 64 GLY N N 64 115.336 126.496 -11.160 1
1 455 . 8 1 1 A 65 65 SER H H 65 8.207 8.587 -0.380 1
1 456 . 8 1 1 A 65 65 SER HA H 65 4.339 4.966 -0.627 1
1 459 . 8 1 1 A 65 65 SER N N 65 117.597 125.691 -8.094 1
1 460 . 8 1 1 A 66 66 LEU H H 66 8.666 8.195 0.471 1
1 461 . 8 1 1 A 66 66 LEU HA H 66 4.213 4.861 -0.648 1
1 471 . 8 1 1 A 66 66 LEU N N 66 124.519 125.884 -1.365 1
1 472 . 8 1 1 A 67 67 ILE H H 67 8.663 8.594 0.069 1
1 473 . 8 1 1 A 67 67 ILE HA H 67 4.853 4.121 0.732 1
1 483 . 8 1 1 A 67 67 ILE N N 67 115.104 115.073 0.031 1
1 484 . 8 1 1 A 68 68 MET H H 68 7.736 8.927 -1.191 1
1 490 . 8 1 1 A 68 68 MET N N 68 118.031 114.726 3.305 1
1 491 . 8 1 1 A 69 69 ILE H H 69 8.735 7.779 0.956 1
1 492 . 8 1 1 A 69 69 ILE HA H 69 4.853 4.514 0.339 1
1 502 . 8 1 1 A 69 69 ILE N N 69 118.189 116.005 2.184 1
1 503 . 8 1 1 A 70 70 PHE H H 70 9.447 8.836 0.611 1
1 504 . 8 1 1 A 70 70 PHE HA H 70 5.895 4.493 1.402 1
1 512 . 8 1 1 A 70 70 PHE N N 70 127.483 123.868 3.615 1
1 513 . 8 1 1 A 71 71 GLU H H 71 9.633 8.888 0.745 1
1 514 . 8 1 1 A 71 71 GLU HA H 71 5.109 4.380 0.729 1
1 519 . 8 1 1 A 71 71 GLU N N 71 121.073 118.267 2.806 1
1 520 . 8 1 1 A 72 72 VAL H H 72 8.756 7.737 1.019 1
1 521 . 8 1 1 A 72 72 VAL HA H 72 4.669 4.929 -0.260 1
1 529 . 8 1 1 A 72 72 VAL N N 72 121.923 119.320 2.603 1
1 530 . 8 1 1 A 73 73 GLU H H 73 8.495 8.381 0.114 1
1 531 . 8 1 1 A 73 73 GLU HA H 73 4.374 4.783 -0.409 1
1 536 . 8 1 1 A 73 73 GLU N N 73 122.566 120.566 2.000 1
1 537 . 8 1 1 A 74 74 GLY H H 74 8.462 9.086 -0.624 1
1 540 . 8 1 1 A 74 74 GLY N N 74 110.596 125.768 -15.172 1
1 541 . 8 1 1 A 75 75 ALA H H 75 8.168 8.613 -0.445 1
1 542 . 8 1 1 A 75 75 ALA HA H 75 4.320 4.781 -0.461 1
1 546 . 8 1 1 A 75 75 ALA N N 75 123.148 124.769 -1.621 1
1 547 . 8 1 1 A 83 83 LYS H H 83 8.334 8.795 -0.461 1
1 548 . 8 1 1 A 83 83 LYS HA H 83 4.318 4.051 0.267 1
1 553 . 8 1 1 A 83 83 LYS N N 83 120.883 119.098 1.785 1
1 554 . 8 1 1 A 84 84 GLN H H 84 8.533 7.845 0.688 1
1 555 . 8 1 1 A 84 84 GLN HA H 84 4.381 4.129 0.252 1
1 560 . 8 1 1 A 84 84 GLN N N 84 123.135 118.732 4.403 1
1 562 . 8 1 1 A 85 85 GLU HA H 85 4.161 4.693 -0.532 1
1 1 . 9 1 1 A 4 4 GLU H H 4 8.653 8.070 0.583 1
1 2 . 9 1 1 A 4 4 GLU HA H 4 4.327 4.930 -0.603 1
1 7 . 9 1 1 A 4 4 GLU N N 4 123.651 122.249 1.402 1
1 8 . 9 1 1 A 5 5 VAL H H 5 8.248 8.274 -0.026 1
1 9 . 9 1 1 A 5 5 VAL HA H 5 4.140 4.578 -0.438 1
1 17 . 9 1 1 A 5 5 VAL N N 5 120.477 117.634 2.843 1
1 18 . 9 1 1 A 6 6 ASN H H 6 8.569 8.135 0.434 1
1 19 . 9 1 1 A 6 6 ASN HA H 6 4.757 4.546 0.211 1
1 22 . 9 1 1 A 6 6 ASN N N 6 121.940 117.294 4.646 1
1 23 . 9 1 1 A 7 7 VAL H H 7 8.105 8.187 -0.082 1
1 24 . 9 1 1 A 7 7 VAL HA H 7 4.449 4.845 -0.396 1
1 32 . 9 1 1 A 7 7 VAL N N 7 121.599 115.835 5.764 1
1 34 . 9 1 1 A 9 9 ASP H H 9 8.358 8.526 -0.168 1
1 35 . 9 1 1 A 9 9 ASP HA H 9 4.568 5.017 -0.449 1
1 38 . 9 1 1 A 9 9 ASP N N 9 120.191 120.811 -0.620 1
1 91 . 9 1 1 A 16 16 VAL H H 16 8.199 8.839 -0.640 1
1 92 . 9 1 1 A 16 16 VAL HA H 16 4.079 4.491 -0.412 1
1 100 . 9 1 1 A 16 16 VAL N N 16 121.212 127.929 -6.717 1
1 101 . 9 1 1 A 17 17 MET H H 17 8.406 8.088 0.318 1
1 102 . 9 1 1 A 17 17 MET HA H 17 4.519 4.426 0.093 1
1 107 . 9 1 1 A 17 17 MET N N 17 124.123 118.172 5.951 1
1 108 . 9 1 1 A 18 18 VAL H H 18 8.172 7.566 0.606 1
1 109 . 9 1 1 A 18 18 VAL HA H 18 4.091 4.145 -0.054 1
1 117 . 9 1 1 A 18 18 VAL N N 18 122.154 116.758 5.396 1
1 118 . 9 1 1 A 19 19 LYS H H 19 8.454 8.774 -0.320 1
1 119 . 9 1 1 A 19 19 LYS HA H 19 4.412 4.547 -0.135 1
1 124 . 9 1 1 A 19 19 LYS N N 19 125.694 126.598 -0.904 1
1 125 . 9 1 1 A 20 20 VAL H H 20 8.293 7.976 0.317 1
1 126 . 9 1 1 A 20 20 VAL HA H 20 4.105 3.864 0.241 1
1 134 . 9 1 1 A 20 20 VAL N N 20 122.063 116.883 5.180 1
1 135 . 9 1 1 A 21 21 GLY H H 21 8.519 8.039 0.480 1
1 138 . 9 1 1 A 21 21 GLY N N 21 112.272 125.635 -13.363 1
1 139 . 9 1 1 A 22 22 ASP H H 22 8.319 8.810 -0.491 1
1 140 . 9 1 1 A 22 22 ASP HA H 22 4.627 4.750 -0.123 1
1 143 . 9 1 1 A 22 22 ASP N N 22 120.284 124.594 -4.310 1
1 144 . 9 1 1 A 24 24 VAL H H 24 8.141 8.518 -0.377 1
1 145 . 9 1 1 A 24 24 VAL HA H 24 4.077 4.382 -0.305 1
1 153 . 9 1 1 A 24 24 VAL N N 24 121.156 126.022 -4.866 1
1 154 . 9 1 1 A 25 25 ALA H H 25 8.376 8.540 -0.164 1
1 159 . 9 1 1 A 25 25 ALA N N 25 127.378 114.547 12.831 1
1 160 . 9 1 1 A 26 26 ALA H H 26 8.260 8.866 -0.606 1
1 161 . 9 1 1 A 26 26 ALA HA H 26 4.302 5.083 -0.781 1
1 165 . 9 1 1 A 26 26 ALA N N 26 123.214 126.017 -2.803 1
1 166 . 9 1 1 A 27 27 GLU H H 27 8.387 8.611 -0.224 1
1 167 . 9 1 1 A 27 27 GLU HA H 27 4.253 4.510 -0.257 1
1 172 . 9 1 1 A 27 27 GLU N N 27 119.491 124.827 -5.336 1
1 173 . 9 1 1 A 28 28 GLN H H 28 8.359 7.629 0.730 1
1 174 . 9 1 1 A 28 28 GLN HA H 28 4.343 4.118 0.225 1
1 179 . 9 1 1 A 28 28 GLN N N 28 120.668 120.052 0.616 1
1 180 . 9 1 1 A 29 29 SER H H 29 8.338 8.980 -0.642 1
1 181 . 9 1 1 A 29 29 SER HA H 29 4.444 3.923 0.521 1
1 184 . 9 1 1 A 29 29 SER N N 29 116.599 127.042 -10.443 1
1 185 . 9 1 1 A 30 30 LEU H H 30 8.242 8.389 -0.147 1
1 186 . 9 1 1 A 30 30 LEU HA H 30 4.407 4.041 0.366 1
1 195 . 9 1 1 A 30 30 LEU N N 30 123.757 119.818 3.939 1
1 196 . 9 1 1 A 31 31 ILE H H 31 8.099 8.510 -0.411 1
1 197 . 9 1 1 A 31 31 ILE HA H 31 4.264 4.924 -0.660 1
1 207 . 9 1 1 A 31 31 ILE N N 31 121.487 116.669 4.818 1
1 208 . 9 1 1 A 32 32 THR H H 32 8.295 8.472 -0.177 1
1 209 . 9 1 1 A 32 32 THR HA H 32 4.420 4.629 -0.209 1
1 214 . 9 1 1 A 32 32 THR N N 32 119.296 118.899 0.397 1
1 215 . 9 1 1 A 33 33 VAL H H 33 8.291 8.066 0.225 1
1 216 . 9 1 1 A 33 33 VAL HA H 33 4.188 5.010 -0.822 1
1 224 . 9 1 1 A 33 33 VAL N N 33 122.829 115.265 7.564 1
1 225 . 9 1 1 A 34 34 GLU H H 34 8.548 8.908 -0.360 1
1 226 . 9 1 1 A 34 34 GLU HA H 34 4.316 4.492 -0.176 1
1 231 . 9 1 1 A 34 34 GLU N N 34 124.786 127.578 -2.792 1
1 232 . 9 1 1 A 35 35 GLY H H 35 8.460 7.831 0.629 1
1 235 . 9 1 1 A 35 35 GLY N N 35 110.109 114.432 -4.323 1
1 236 . 9 1 1 A 36 36 ASP H H 36 8.210 8.542 -0.332 1
1 237 . 9 1 1 A 36 36 ASP HA H 36 4.603 4.289 0.314 1
1 240 . 9 1 1 A 36 36 ASP N N 36 120.341 117.658 2.683 1
1 241 . 9 1 1 A 37 37 LYS H H 37 8.282 8.403 -0.121 1
1 242 . 9 1 1 A 37 37 LYS HA H 37 4.347 4.374 -0.027 1
1 247 . 9 1 1 A 37 37 LYS N N 37 121.069 121.127 -0.058 1
1 248 . 9 1 1 A 38 38 ALA H H 38 8.506 8.691 -0.185 1
1 249 . 9 1 1 A 38 38 ALA HA H 38 4.556 5.120 -0.564 1
1 253 . 9 1 1 A 38 38 ALA N N 38 124.365 125.997 -1.632 1
1 254 . 9 1 1 A 39 39 SER H H 39 8.313 8.372 -0.059 1
1 258 . 9 1 1 A 39 39 SER N N 39 114.897 108.678 6.219 1
1 259 . 9 1 1 A 40 40 MET H H 40 9.298 8.541 0.757 1
1 260 . 9 1 1 A 40 40 MET HA H 40 4.811 5.449 -0.638 1
1 268 . 9 1 1 A 40 40 MET N N 40 121.658 121.827 -0.169 1
1 269 . 9 1 1 A 41 41 GLU H H 41 8.724 8.459 0.265 1
1 270 . 9 1 1 A 41 41 GLU HA H 41 4.150 4.480 -0.330 1
1 275 . 9 1 1 A 41 41 GLU N N 41 123.119 122.139 0.980 1
1 276 . 9 1 1 A 42 42 VAL H H 42 8.274 8.519 -0.245 1
1 277 . 9 1 1 A 42 42 VAL HA H 42 4.350 4.759 -0.409 1
1 285 . 9 1 1 A 42 42 VAL N N 42 121.303 122.611 -1.308 1
1 286 . 9 1 1 A 43 43 PRO HA H 43 5.103 4.457 0.646 1
1 291 . 9 1 1 A 44 44 ALA H H 44 9.279 8.644 0.635 1
1 292 . 9 1 1 A 44 44 ALA HA H 44 4.286 4.887 -0.601 1
1 296 . 9 1 1 A 44 44 ALA N N 44 122.132 121.925 0.207 1
1 297 . 9 1 1 A 45 45 PRO HA H 45 4.429 4.731 -0.302 1
1 304 . 9 1 1 A 46 46 PHE H H 46 7.058 8.611 -1.553 1
1 305 . 9 1 1 A 46 46 PHE HA H 46 4.931 4.730 0.201 1
1 313 . 9 1 1 A 46 46 PHE N N 46 113.563 119.851 -6.288 1
1 315 . 9 1 1 A 47 47 ALA HA H 47 4.545 4.735 -0.190 1
1 319 . 9 1 1 A 47 47 ALA N N 47 118.533 138.711 -20.178 1
1 320 . 9 1 1 A 48 48 GLY H H 48 7.946 8.439 -0.493 1
1 323 . 9 1 1 A 48 48 GLY N N 48 104.283 122.966 -18.683 1
1 325 . 9 1 1 A 49 49 VAL HA H 49 4.758 4.519 0.239 1
1 333 . 9 1 1 A 49 49 VAL N N 49 119.387 134.534 -15.147 1
1 334 . 9 1 1 A 50 50 VAL H H 50 8.812 7.207 1.605 1
1 335 . 9 1 1 A 50 50 VAL HA H 50 3.672 5.038 -1.366 1
1 343 . 9 1 1 A 50 50 VAL N N 50 126.035 112.241 13.794 1
1 344 . 9 1 1 A 51 51 LYS H H 51 9.404 8.463 0.941 1
1 345 . 9 1 1 A 51 51 LYS HA H 51 4.617 4.070 0.547 1
1 348 . 9 1 1 A 51 51 LYS N N 51 132.567 122.722 9.845 1
1 349 . 9 1 1 A 52 52 GLU H H 52 7.835 8.065 -0.230 1
1 355 . 9 1 1 A 52 52 GLU N N 52 114.290 107.064 7.226 1
1 356 . 9 1 1 A 53 53 LEU H H 53 9.245 8.480 0.765 1
1 357 . 9 1 1 A 53 53 LEU HA H 53 4.671 4.911 -0.240 1
1 367 . 9 1 1 A 53 53 LEU N N 53 126.224 119.999 6.225 1
1 368 . 9 1 1 A 54 54 LYS H H 54 7.816 8.994 -1.178 1
1 369 . 9 1 1 A 54 54 LYS HA H 54 4.632 3.759 0.873 1
1 376 . 9 1 1 A 54 54 LYS N N 54 118.189 126.509 -8.320 1
1 377 . 9 1 1 A 55 55 VAL H H 55 7.145 8.516 -1.371 1
1 378 . 9 1 1 A 55 55 VAL HA H 55 4.740 4.258 0.482 1
1 386 . 9 1 1 A 55 55 VAL N N 55 108.573 130.543 -21.970 1
1 387 . 9 1 1 A 56 56 ASN H H 56 8.970 7.643 1.327 1
1 388 . 9 1 1 A 56 56 ASN HA H 56 5.003 4.647 0.356 1
1 393 . 9 1 1 A 56 56 ASN N N 56 118.276 118.329 -0.053 1
1 395 . 9 1 1 A 57 57 VAL H H 57 8.721 8.724 -0.003 1
1 396 . 9 1 1 A 57 57 VAL HA H 57 3.277 4.245 -0.968 1
1 404 . 9 1 1 A 57 57 VAL N N 57 119.437 127.497 -8.060 1
1 405 . 9 1 1 A 58 58 GLY H H 58 9.282 8.734 0.548 1
1 408 . 9 1 1 A 58 58 GLY N N 58 116.296 121.884 -5.588 1
1 409 . 9 1 1 A 59 59 ASP H H 59 8.035 7.239 0.796 1
1 410 . 9 1 1 A 59 59 ASP HA H 59 4.600 4.741 -0.141 1
1 413 . 9 1 1 A 59 59 ASP N N 59 121.238 115.127 6.111 1
1 414 . 9 1 1 A 60 60 LYS H H 60 8.577 8.758 -0.181 1
1 415 . 9 1 1 A 60 60 LYS HA H 60 4.648 5.178 -0.530 1
1 424 . 9 1 1 A 60 60 LYS N N 60 121.491 122.119 -0.628 1
1 425 . 9 1 1 A 61 61 VAL H H 61 8.939 8.467 0.472 1
1 426 . 9 1 1 A 61 61 VAL HA H 61 4.461 3.497 0.964 1
1 434 . 9 1 1 A 61 61 VAL N N 61 121.545 122.050 -0.505 1
1 435 . 9 1 1 A 62 62 LYS H H 62 8.182 8.971 -0.789 1
1 443 . 9 1 1 A 62 62 LYS N N 62 122.901 115.115 7.786 1
1 444 . 9 1 1 A 63 63 THR H H 63 8.399 7.662 0.737 1
1 445 . 9 1 1 A 63 63 THR HA H 63 3.932 4.867 -0.935 1
1 450 . 9 1 1 A 63 63 THR N N 63 118.278 121.341 -3.063 1
1 451 . 9 1 1 A 64 64 GLY H H 64 9.075 8.487 0.588 1
1 454 . 9 1 1 A 64 64 GLY N N 64 115.336 124.982 -9.646 1
1 455 . 9 1 1 A 65 65 SER H H 65 8.207 8.362 -0.155 1
1 456 . 9 1 1 A 65 65 SER HA H 65 4.339 4.897 -0.558 1
1 459 . 9 1 1 A 65 65 SER N N 65 117.597 121.912 -4.315 1
1 460 . 9 1 1 A 66 66 LEU H H 66 8.666 8.617 0.049 1
1 461 . 9 1 1 A 66 66 LEU HA H 66 4.213 4.901 -0.688 1
1 471 . 9 1 1 A 66 66 LEU N N 66 124.519 124.553 -0.034 1
1 472 . 9 1 1 A 67 67 ILE H H 67 8.663 8.646 0.017 1
1 473 . 9 1 1 A 67 67 ILE HA H 67 4.853 4.116 0.737 1
1 483 . 9 1 1 A 67 67 ILE N N 67 115.104 115.408 -0.304 1
1 484 . 9 1 1 A 68 68 MET H H 68 7.736 8.927 -1.191 1
1 490 . 9 1 1 A 68 68 MET N N 68 118.031 114.746 3.285 1
1 491 . 9 1 1 A 69 69 ILE H H 69 8.735 7.770 0.965 1
1 492 . 9 1 1 A 69 69 ILE HA H 69 4.853 4.747 0.106 1
1 502 . 9 1 1 A 69 69 ILE N N 69 118.189 116.313 1.876 1
1 503 . 9 1 1 A 70 70 PHE H H 70 9.447 8.805 0.642 1
1 504 . 9 1 1 A 70 70 PHE HA H 70 5.895 4.310 1.585 1
1 512 . 9 1 1 A 70 70 PHE N N 70 127.483 126.857 0.626 1
1 513 . 9 1 1 A 71 71 GLU H H 71 9.633 8.858 0.775 1
1 514 . 9 1 1 A 71 71 GLU HA H 71 5.109 4.389 0.720 1
1 519 . 9 1 1 A 71 71 GLU N N 71 121.073 118.037 3.036 1
1 520 . 9 1 1 A 72 72 VAL H H 72 8.756 7.771 0.985 1
1 521 . 9 1 1 A 72 72 VAL HA H 72 4.669 4.944 -0.275 1
1 529 . 9 1 1 A 72 72 VAL N N 72 121.923 119.729 2.194 1
1 530 . 9 1 1 A 73 73 GLU H H 73 8.495 8.433 0.062 1
1 531 . 9 1 1 A 73 73 GLU HA H 73 4.374 4.866 -0.492 1
1 536 . 9 1 1 A 73 73 GLU N N 73 122.566 120.631 1.935 1
1 537 . 9 1 1 A 74 74 GLY H H 74 8.462 8.983 -0.521 1
1 540 . 9 1 1 A 74 74 GLY N N 74 110.596 126.081 -15.485 1
1 541 . 9 1 1 A 75 75 ALA H H 75 8.168 8.402 -0.234 1
1 542 . 9 1 1 A 75 75 ALA HA H 75 4.320 4.925 -0.605 1
1 546 . 9 1 1 A 75 75 ALA N N 75 123.148 121.889 1.259 1
1 547 . 9 1 1 A 83 83 LYS H H 83 8.334 8.619 -0.285 1
1 548 . 9 1 1 A 83 83 LYS HA H 83 4.318 5.080 -0.762 1
1 553 . 9 1 1 A 83 83 LYS N N 83 120.883 120.982 -0.099 1
1 554 . 9 1 1 A 84 84 GLN H H 84 8.533 8.567 -0.034 1
1 555 . 9 1 1 A 84 84 GLN HA H 84 4.381 4.665 -0.284 1
1 560 . 9 1 1 A 84 84 GLN N N 84 123.135 123.409 -0.274 1
1 562 . 9 1 1 A 85 85 GLU HA H 85 4.161 4.681 -0.520 1
1 1 . 10 1 1 A 4 4 GLU H H 4 8.653 8.615 0.038 1
1 2 . 10 1 1 A 4 4 GLU HA H 4 4.327 4.993 -0.666 1
1 7 . 10 1 1 A 4 4 GLU N N 4 123.651 124.030 -0.379 1
1 8 . 10 1 1 A 5 5 VAL H H 5 8.248 8.972 -0.724 1
1 9 . 10 1 1 A 5 5 VAL HA H 5 4.140 4.795 -0.655 1
1 17 . 10 1 1 A 5 5 VAL N N 5 120.477 117.407 3.070 1
1 18 . 10 1 1 A 6 6 ASN H H 6 8.569 8.773 -0.204 1
1 19 . 10 1 1 A 6 6 ASN HA H 6 4.757 4.948 -0.191 1
1 22 . 10 1 1 A 6 6 ASN N N 6 121.940 122.027 -0.087 1
1 23 . 10 1 1 A 7 7 VAL H H 7 8.105 7.763 0.342 1
1 24 . 10 1 1 A 7 7 VAL HA H 7 4.449 4.497 -0.048 1
1 32 . 10 1 1 A 7 7 VAL N N 7 121.599 118.016 3.583 1
1 34 . 10 1 1 A 9 9 ASP H H 9 8.358 8.432 -0.074 1
1 35 . 10 1 1 A 9 9 ASP HA H 9 4.568 4.862 -0.294 1
1 38 . 10 1 1 A 9 9 ASP N N 9 120.191 117.810 2.381 1
1 91 . 10 1 1 A 16 16 VAL H H 16 8.199 9.071 -0.872 1
1 92 . 10 1 1 A 16 16 VAL HA H 16 4.079 4.940 -0.861 1
1 100 . 10 1 1 A 16 16 VAL N N 16 121.212 126.068 -4.856 1
1 101 . 10 1 1 A 17 17 MET H H 17 8.406 8.965 -0.559 1
1 102 . 10 1 1 A 17 17 MET HA H 17 4.519 4.240 0.279 1
1 107 . 10 1 1 A 17 17 MET N N 17 124.123 123.574 0.549 1
1 108 . 10 1 1 A 18 18 VAL H H 18 8.172 8.847 -0.675 1
1 109 . 10 1 1 A 18 18 VAL HA H 18 4.091 4.580 -0.489 1
1 117 . 10 1 1 A 18 18 VAL N N 18 122.154 120.178 1.976 1
1 118 . 10 1 1 A 19 19 LYS H H 19 8.454 7.890 0.564 1
1 119 . 10 1 1 A 19 19 LYS HA H 19 4.412 4.539 -0.127 1
1 124 . 10 1 1 A 19 19 LYS N N 19 125.694 118.584 7.110 1
1 125 . 10 1 1 A 20 20 VAL H H 20 8.293 8.804 -0.511 1
1 126 . 10 1 1 A 20 20 VAL HA H 20 4.105 4.202 -0.097 1
1 134 . 10 1 1 A 20 20 VAL N N 20 122.063 122.158 -0.095 1
1 135 . 10 1 1 A 21 21 GLY H H 21 8.519 8.057 0.462 1
1 138 . 10 1 1 A 21 21 GLY N N 21 112.272 121.240 -8.968 1
1 139 . 10 1 1 A 22 22 ASP H H 22 8.319 7.780 0.539 1
1 140 . 10 1 1 A 22 22 ASP HA H 22 4.627 4.038 0.589 1
1 143 . 10 1 1 A 22 22 ASP N N 22 120.284 122.542 -2.258 1
1 144 . 10 1 1 A 24 24 VAL H H 24 8.141 8.517 -0.376 1
1 145 . 10 1 1 A 24 24 VAL HA H 24 4.077 4.205 -0.128 1
1 153 . 10 1 1 A 24 24 VAL N N 24 121.156 121.906 -0.750 1
1 154 . 10 1 1 A 25 25 ALA H H 25 8.376 8.557 -0.181 1
1 159 . 10 1 1 A 25 25 ALA N N 25 127.378 114.886 12.492 1
1 160 . 10 1 1 A 26 26 ALA H H 26 8.260 8.144 0.116 1
1 161 . 10 1 1 A 26 26 ALA HA H 26 4.302 5.204 -0.902 1
1 165 . 10 1 1 A 26 26 ALA N N 26 123.214 120.233 2.981 1
1 166 . 10 1 1 A 27 27 GLU H H 27 8.387 9.048 -0.661 1
1 167 . 10 1 1 A 27 27 GLU HA H 27 4.253 5.049 -0.796 1
1 172 . 10 1 1 A 27 27 GLU N N 27 119.491 121.073 -1.582 1
1 173 . 10 1 1 A 28 28 GLN H H 28 8.359 8.542 -0.183 1
1 174 . 10 1 1 A 28 28 GLN HA H 28 4.343 4.480 -0.137 1
1 179 . 10 1 1 A 28 28 GLN N N 28 120.668 118.127 2.541 1
1 180 . 10 1 1 A 29 29 SER H H 29 8.338 7.815 0.523 1
1 181 . 10 1 1 A 29 29 SER HA H 29 4.444 4.474 -0.030 1
1 184 . 10 1 1 A 29 29 SER N N 29 116.599 124.340 -7.741 1
1 185 . 10 1 1 A 30 30 LEU H H 30 8.242 8.190 0.052 1
1 186 . 10 1 1 A 30 30 LEU HA H 30 4.407 3.906 0.501 1
1 195 . 10 1 1 A 30 30 LEU N N 30 123.757 119.518 4.239 1
1 196 . 10 1 1 A 31 31 ILE H H 31 8.099 7.835 0.264 1
1 197 . 10 1 1 A 31 31 ILE HA H 31 4.264 4.623 -0.359 1
1 207 . 10 1 1 A 31 31 ILE N N 31 121.487 111.568 9.919 1
1 208 . 10 1 1 A 32 32 THR H H 32 8.295 8.383 -0.088 1
1 209 . 10 1 1 A 32 32 THR HA H 32 4.420 4.291 0.129 1
1 214 . 10 1 1 A 32 32 THR N N 32 119.296 121.175 -1.879 1
1 215 . 10 1 1 A 33 33 VAL H H 33 8.291 8.966 -0.675 1
1 216 . 10 1 1 A 33 33 VAL HA H 33 4.188 5.101 -0.913 1
1 224 . 10 1 1 A 33 33 VAL N N 33 122.829 124.104 -1.275 1
1 225 . 10 1 1 A 34 34 GLU H H 34 8.548 8.647 -0.099 1
1 226 . 10 1 1 A 34 34 GLU HA H 34 4.316 4.473 -0.157 1
1 231 . 10 1 1 A 34 34 GLU N N 34 124.786 126.130 -1.344 1
1 232 . 10 1 1 A 35 35 GLY H H 35 8.460 8.959 -0.499 1
1 235 . 10 1 1 A 35 35 GLY N N 35 110.109 120.423 -10.314 1
1 236 . 10 1 1 A 36 36 ASP H H 36 8.210 8.749 -0.539 1
1 237 . 10 1 1 A 36 36 ASP HA H 36 4.603 5.090 -0.487 1
1 240 . 10 1 1 A 36 36 ASP N N 36 120.341 116.790 3.551 1
1 241 . 10 1 1 A 37 37 LYS H H 37 8.282 8.988 -0.706 1
1 242 . 10 1 1 A 37 37 LYS HA H 37 4.347 4.918 -0.571 1
1 247 . 10 1 1 A 37 37 LYS N N 37 121.069 120.078 0.991 1
1 248 . 10 1 1 A 38 38 ALA H H 38 8.506 8.538 -0.032 1
1 249 . 10 1 1 A 38 38 ALA HA H 38 4.556 4.761 -0.205 1
1 253 . 10 1 1 A 38 38 ALA N N 38 124.365 121.951 2.414 1
1 254 . 10 1 1 A 39 39 SER H H 39 8.313 8.846 -0.533 1
1 258 . 10 1 1 A 39 39 SER N N 39 114.897 112.375 2.522 1
1 259 . 10 1 1 A 40 40 MET H H 40 9.298 8.963 0.335 1
1 260 . 10 1 1 A 40 40 MET HA H 40 4.811 5.266 -0.455 1
1 268 . 10 1 1 A 40 40 MET N N 40 121.658 123.783 -2.125 1
1 269 . 10 1 1 A 41 41 GLU H H 41 8.724 8.808 -0.084 1
1 270 . 10 1 1 A 41 41 GLU HA H 41 4.150 4.499 -0.349 1
1 275 . 10 1 1 A 41 41 GLU N N 41 123.119 126.929 -3.810 1
1 276 . 10 1 1 A 42 42 VAL H H 42 8.274 8.445 -0.171 1
1 277 . 10 1 1 A 42 42 VAL HA H 42 4.350 4.484 -0.134 1
1 285 . 10 1 1 A 42 42 VAL N N 42 121.303 121.909 -0.606 1
1 286 . 10 1 1 A 43 43 PRO HA H 43 5.103 4.357 0.746 1
1 291 . 10 1 1 A 44 44 ALA H H 44 9.279 8.831 0.448 1
1 292 . 10 1 1 A 44 44 ALA HA H 44 4.286 5.037 -0.751 1
1 296 . 10 1 1 A 44 44 ALA N N 44 122.132 125.308 -3.176 1
1 297 . 10 1 1 A 45 45 PRO HA H 45 4.429 4.423 0.006 1
1 304 . 10 1 1 A 46 46 PHE H H 46 7.058 8.748 -1.690 1
1 305 . 10 1 1 A 46 46 PHE HA H 46 4.931 4.833 0.098 1
1 313 . 10 1 1 A 46 46 PHE N N 46 113.563 118.115 -4.552 1
1 315 . 10 1 1 A 47 47 ALA HA H 47 4.545 4.772 -0.227 1
1 319 . 10 1 1 A 47 47 ALA N N 47 118.533 138.798 -20.265 1
1 320 . 10 1 1 A 48 48 GLY H H 48 7.946 8.326 -0.380 1
1 323 . 10 1 1 A 48 48 GLY N N 48 104.283 123.525 -19.242 1
1 325 . 10 1 1 A 49 49 VAL HA H 49 4.758 4.525 0.233 1
1 333 . 10 1 1 A 49 49 VAL N N 49 119.387 134.677 -15.290 1
1 334 . 10 1 1 A 50 50 VAL H H 50 8.812 7.098 1.714 1
1 335 . 10 1 1 A 50 50 VAL HA H 50 3.672 4.936 -1.264 1
1 343 . 10 1 1 A 50 50 VAL N N 50 126.035 112.212 13.823 1
1 344 . 10 1 1 A 51 51 LYS H H 51 9.404 8.520 0.884 1
1 345 . 10 1 1 A 51 51 LYS HA H 51 4.617 4.015 0.602 1
1 348 . 10 1 1 A 51 51 LYS N N 51 132.567 122.889 9.678 1
1 349 . 10 1 1 A 52 52 GLU H H 52 7.835 8.155 -0.320 1
1 355 . 10 1 1 A 52 52 GLU N N 52 114.290 108.546 5.744 1
1 356 . 10 1 1 A 53 53 LEU H H 53 9.245 8.481 0.764 1
1 357 . 10 1 1 A 53 53 LEU HA H 53 4.671 4.777 -0.106 1
1 367 . 10 1 1 A 53 53 LEU N N 53 126.224 120.010 6.214 1
1 368 . 10 1 1 A 54 54 LYS H H 54 7.816 9.128 -1.312 1
1 369 . 10 1 1 A 54 54 LYS HA H 54 4.632 4.040 0.592 1
1 376 . 10 1 1 A 54 54 LYS N N 54 118.189 127.162 -8.973 1
1 377 . 10 1 1 A 55 55 VAL H H 55 7.145 9.097 -1.952 1
1 378 . 10 1 1 A 55 55 VAL HA H 55 4.740 4.454 0.286 1
1 386 . 10 1 1 A 55 55 VAL N N 55 108.573 129.553 -20.980 1
1 387 . 10 1 1 A 56 56 ASN H H 56 8.970 7.780 1.190 1
1 388 . 10 1 1 A 56 56 ASN HA H 56 5.003 4.723 0.280 1
1 393 . 10 1 1 A 56 56 ASN N N 56 118.276 118.558 -0.282 1
1 395 . 10 1 1 A 57 57 VAL H H 57 8.721 8.592 0.129 1
1 396 . 10 1 1 A 57 57 VAL HA H 57 3.277 4.415 -1.138 1
1 404 . 10 1 1 A 57 57 VAL N N 57 119.437 124.030 -4.593 1
1 405 . 10 1 1 A 58 58 GLY H H 58 9.282 8.826 0.456 1
1 408 . 10 1 1 A 58 58 GLY N N 58 116.296 118.037 -1.741 1
1 409 . 10 1 1 A 59 59 ASP H H 59 8.035 7.643 0.392 1
1 410 . 10 1 1 A 59 59 ASP HA H 59 4.600 4.656 -0.056 1
1 413 . 10 1 1 A 59 59 ASP N N 59 121.238 117.777 3.461 1
1 414 . 10 1 1 A 60 60 LYS H H 60 8.577 8.854 -0.277 1
1 415 . 10 1 1 A 60 60 LYS HA H 60 4.648 5.327 -0.679 1
1 424 . 10 1 1 A 60 60 LYS N N 60 121.491 122.389 -0.898 1
1 425 . 10 1 1 A 61 61 VAL H H 61 8.939 8.535 0.404 1
1 426 . 10 1 1 A 61 61 VAL HA H 61 4.461 3.498 0.963 1
1 434 . 10 1 1 A 61 61 VAL N N 61 121.545 122.387 -0.842 1
1 435 . 10 1 1 A 62 62 LYS H H 62 8.182 8.875 -0.693 1
1 443 . 10 1 1 A 62 62 LYS N N 62 122.901 115.446 7.455 1
1 444 . 10 1 1 A 63 63 THR H H 63 8.399 7.705 0.694 1
1 445 . 10 1 1 A 63 63 THR HA H 63 3.932 4.774 -0.842 1
1 450 . 10 1 1 A 63 63 THR N N 63 118.278 120.872 -2.594 1
1 451 . 10 1 1 A 64 64 GLY H H 64 9.075 8.428 0.647 1
1 454 . 10 1 1 A 64 64 GLY N N 64 115.336 123.454 -8.118 1
1 455 . 10 1 1 A 65 65 SER H H 65 8.207 8.394 -0.187 1
1 456 . 10 1 1 A 65 65 SER HA H 65 4.339 4.897 -0.558 1
1 459 . 10 1 1 A 65 65 SER N N 65 117.597 120.571 -2.974 1
1 460 . 10 1 1 A 66 66 LEU H H 66 8.666 8.577 0.089 1
1 461 . 10 1 1 A 66 66 LEU HA H 66 4.213 4.905 -0.692 1
1 471 . 10 1 1 A 66 66 LEU N N 66 124.519 125.046 -0.527 1
1 472 . 10 1 1 A 67 67 ILE H H 67 8.663 8.618 0.045 1
1 473 . 10 1 1 A 67 67 ILE HA H 67 4.853 4.151 0.702 1
1 483 . 10 1 1 A 67 67 ILE N N 67 115.104 114.958 0.146 1
1 484 . 10 1 1 A 68 68 MET H H 68 7.736 8.950 -1.214 1
1 490 . 10 1 1 A 68 68 MET N N 68 118.031 114.629 3.402 1
1 491 . 10 1 1 A 69 69 ILE H H 69 8.735 7.791 0.944 1
1 492 . 10 1 1 A 69 69 ILE HA H 69 4.853 4.667 0.186 1
1 502 . 10 1 1 A 69 69 ILE N N 69 118.189 117.048 1.141 1
1 503 . 10 1 1 A 70 70 PHE H H 70 9.447 8.804 0.643 1
1 504 . 10 1 1 A 70 70 PHE HA H 70 5.895 4.476 1.419 1
1 512 . 10 1 1 A 70 70 PHE N N 70 127.483 126.825 0.658 1
1 513 . 10 1 1 A 71 71 GLU H H 71 9.633 8.759 0.874 1
1 514 . 10 1 1 A 71 71 GLU HA H 71 5.109 4.386 0.723 1
1 519 . 10 1 1 A 71 71 GLU N N 71 121.073 117.902 3.171 1
1 520 . 10 1 1 A 72 72 VAL H H 72 8.756 7.714 1.042 1
1 521 . 10 1 1 A 72 72 VAL HA H 72 4.669 4.675 -0.006 1
1 529 . 10 1 1 A 72 72 VAL N N 72 121.923 117.738 4.185 1
1 530 . 10 1 1 A 73 73 GLU H H 73 8.495 8.614 -0.119 1
1 531 . 10 1 1 A 73 73 GLU HA H 73 4.374 4.624 -0.250 1
1 536 . 10 1 1 A 73 73 GLU N N 73 122.566 121.317 1.249 1
1 537 . 10 1 1 A 74 74 GLY H H 74 8.462 8.975 -0.513 1
1 540 . 10 1 1 A 74 74 GLY N N 74 110.596 127.281 -16.685 1
1 541 . 10 1 1 A 75 75 ALA H H 75 8.168 8.970 -0.802 1
1 542 . 10 1 1 A 75 75 ALA HA H 75 4.320 4.958 -0.638 1
1 546 . 10 1 1 A 75 75 ALA N N 75 123.148 121.560 1.588 1
1 547 . 10 1 1 A 83 83 LYS H H 83 8.334 7.721 0.613 1
1 548 . 10 1 1 A 83 83 LYS HA H 83 4.318 4.315 0.003 1
1 553 . 10 1 1 A 83 83 LYS N N 83 120.883 119.967 0.916 1
1 554 . 10 1 1 A 84 84 GLN H H 84 8.533 8.492 0.041 1
1 555 . 10 1 1 A 84 84 GLN HA H 84 4.381 4.925 -0.544 1
1 560 . 10 1 1 A 84 84 GLN N N 84 123.135 122.739 0.396 1
1 562 . 10 1 1 A 85 85 GLU HA H 85 4.161 4.444 -0.283 1
1 1 . 11 1 1 A 4 4 GLU H H 4 8.653 8.261 0.392 1
1 2 . 11 1 1 A 4 4 GLU HA H 4 4.327 4.938 -0.611 1
1 7 . 11 1 1 A 4 4 GLU N N 4 123.651 120.828 2.823 1
1 8 . 11 1 1 A 5 5 VAL H H 5 8.248 8.365 -0.117 1
1 9 . 11 1 1 A 5 5 VAL HA H 5 4.140 4.171 -0.031 1
1 17 . 11 1 1 A 5 5 VAL N N 5 120.477 118.220 2.257 1
1 18 . 11 1 1 A 6 6 ASN H H 6 8.569 8.831 -0.262 1
1 19 . 11 1 1 A 6 6 ASN HA H 6 4.757 5.146 -0.389 1
1 22 . 11 1 1 A 6 6 ASN N N 6 121.940 125.833 -3.893 1
1 23 . 11 1 1 A 7 7 VAL H H 7 8.105 8.425 -0.320 1
1 24 . 11 1 1 A 7 7 VAL HA H 7 4.449 4.528 -0.079 1
1 32 . 11 1 1 A 7 7 VAL N N 7 121.599 125.862 -4.263 1
1 34 . 11 1 1 A 9 9 ASP H H 9 8.358 8.562 -0.204 1
1 35 . 11 1 1 A 9 9 ASP HA H 9 4.568 5.053 -0.485 1
1 38 . 11 1 1 A 9 9 ASP N N 9 120.191 120.462 -0.271 1
1 91 . 11 1 1 A 16 16 VAL H H 16 8.199 7.910 0.289 1
1 92 . 11 1 1 A 16 16 VAL HA H 16 4.079 4.722 -0.643 1
1 100 . 11 1 1 A 16 16 VAL N N 16 121.212 117.602 3.610 1
1 101 . 11 1 1 A 17 17 MET H H 17 8.406 8.570 -0.164 1
1 102 . 11 1 1 A 17 17 MET HA H 17 4.519 3.869 0.650 1
1 107 . 11 1 1 A 17 17 MET N N 17 124.123 126.658 -2.535 1
1 108 . 11 1 1 A 18 18 VAL H H 18 8.172 8.057 0.115 1
1 109 . 11 1 1 A 18 18 VAL HA H 18 4.091 4.743 -0.652 1
1 117 . 11 1 1 A 18 18 VAL N N 18 122.154 112.406 9.748 1
1 118 . 11 1 1 A 19 19 LYS H H 19 8.454 8.910 -0.456 1
1 119 . 11 1 1 A 19 19 LYS HA H 19 4.412 4.215 0.197 1
1 124 . 11 1 1 A 19 19 LYS N N 19 125.694 120.814 4.880 1
1 125 . 11 1 1 A 20 20 VAL H H 20 8.293 7.963 0.330 1
1 126 . 11 1 1 A 20 20 VAL HA H 20 4.105 4.049 0.056 1
1 134 . 11 1 1 A 20 20 VAL N N 20 122.063 119.517 2.546 1
1 135 . 11 1 1 A 21 21 GLY H H 21 8.519 8.530 -0.011 1
1 138 . 11 1 1 A 21 21 GLY N N 21 112.272 120.647 -8.375 1
1 139 . 11 1 1 A 22 22 ASP H H 22 8.319 7.757 0.562 1
1 140 . 11 1 1 A 22 22 ASP HA H 22 4.627 3.651 0.976 1
1 143 . 11 1 1 A 22 22 ASP N N 22 120.284 120.559 -0.275 1
1 144 . 11 1 1 A 24 24 VAL H H 24 8.141 7.596 0.545 1
1 145 . 11 1 1 A 24 24 VAL HA H 24 4.077 4.191 -0.114 1
1 153 . 11 1 1 A 24 24 VAL N N 24 121.156 115.919 5.237 1
1 154 . 11 1 1 A 25 25 ALA H H 25 8.376 8.533 -0.157 1
1 159 . 11 1 1 A 25 25 ALA N N 25 127.378 110.107 17.271 1
1 160 . 11 1 1 A 26 26 ALA H H 26 8.260 9.080 -0.820 1
1 161 . 11 1 1 A 26 26 ALA HA H 26 4.302 5.399 -1.097 1
1 165 . 11 1 1 A 26 26 ALA N N 26 123.214 122.783 0.431 1
1 166 . 11 1 1 A 27 27 GLU H H 27 8.387 8.843 -0.456 1
1 167 . 11 1 1 A 27 27 GLU HA H 27 4.253 4.812 -0.559 1
1 172 . 11 1 1 A 27 27 GLU N N 27 119.491 126.733 -7.242 1
1 173 . 11 1 1 A 28 28 GLN H H 28 8.359 8.606 -0.247 1
1 174 . 11 1 1 A 28 28 GLN HA H 28 4.343 4.261 0.082 1
1 179 . 11 1 1 A 28 28 GLN N N 28 120.668 127.918 -7.250 1
1 180 . 11 1 1 A 29 29 SER H H 29 8.338 8.009 0.329 1
1 181 . 11 1 1 A 29 29 SER HA H 29 4.444 4.573 -0.129 1
1 184 . 11 1 1 A 29 29 SER N N 29 116.599 121.817 -5.218 1
1 185 . 11 1 1 A 30 30 LEU H H 30 8.242 8.576 -0.334 1
1 186 . 11 1 1 A 30 30 LEU HA H 30 4.407 4.423 -0.016 1
1 195 . 11 1 1 A 30 30 LEU N N 30 123.757 121.586 2.171 1
1 196 . 11 1 1 A 31 31 ILE H H 31 8.099 8.068 0.031 1
1 197 . 11 1 1 A 31 31 ILE HA H 31 4.264 4.175 0.089 1
1 207 . 11 1 1 A 31 31 ILE N N 31 121.487 115.453 6.034 1
1 208 . 11 1 1 A 32 32 THR H H 32 8.295 8.859 -0.564 1
1 209 . 11 1 1 A 32 32 THR HA H 32 4.420 3.898 0.522 1
1 214 . 11 1 1 A 32 32 THR N N 32 119.296 117.344 1.952 1
1 215 . 11 1 1 A 33 33 VAL H H 33 8.291 7.540 0.751 1
1 216 . 11 1 1 A 33 33 VAL HA H 33 4.188 4.932 -0.744 1
1 224 . 11 1 1 A 33 33 VAL N N 33 122.829 113.336 9.493 1
1 225 . 11 1 1 A 34 34 GLU H H 34 8.548 8.574 -0.026 1
1 226 . 11 1 1 A 34 34 GLU HA H 34 4.316 4.338 -0.022 1
1 231 . 11 1 1 A 34 34 GLU N N 34 124.786 123.282 1.504 1
1 232 . 11 1 1 A 35 35 GLY H H 35 8.460 7.730 0.730 1
1 235 . 11 1 1 A 35 35 GLY N N 35 110.109 114.620 -4.511 1
1 236 . 11 1 1 A 36 36 ASP H H 36 8.210 7.535 0.675 1
1 237 . 11 1 1 A 36 36 ASP HA H 36 4.603 5.120 -0.517 1
1 240 . 11 1 1 A 36 36 ASP N N 36 120.341 115.254 5.087 1
1 241 . 11 1 1 A 37 37 LYS H H 37 8.282 8.973 -0.691 1
1 242 . 11 1 1 A 37 37 LYS HA H 37 4.347 3.980 0.367 1
1 247 . 11 1 1 A 37 37 LYS N N 37 121.069 126.590 -5.521 1
1 248 . 11 1 1 A 38 38 ALA H H 38 8.506 9.161 -0.655 1
1 249 . 11 1 1 A 38 38 ALA HA H 38 4.556 4.156 0.400 1
1 253 . 11 1 1 A 38 38 ALA N N 38 124.365 128.212 -3.847 1
1 254 . 11 1 1 A 39 39 SER H H 39 8.313 7.573 0.740 1
1 258 . 11 1 1 A 39 39 SER N N 39 114.897 104.807 10.090 1
1 259 . 11 1 1 A 40 40 MET H H 40 9.298 8.561 0.737 1
1 260 . 11 1 1 A 40 40 MET HA H 40 4.811 5.493 -0.682 1
1 268 . 11 1 1 A 40 40 MET N N 40 121.658 121.598 0.060 1
1 269 . 11 1 1 A 41 41 GLU H H 41 8.724 8.412 0.312 1
1 270 . 11 1 1 A 41 41 GLU HA H 41 4.150 4.482 -0.332 1
1 275 . 11 1 1 A 41 41 GLU N N 41 123.119 122.126 0.993 1
1 276 . 11 1 1 A 42 42 VAL H H 42 8.274 8.433 -0.159 1
1 277 . 11 1 1 A 42 42 VAL HA H 42 4.350 5.462 -1.112 1
1 285 . 11 1 1 A 42 42 VAL N N 42 121.303 122.032 -0.729 1
1 286 . 11 1 1 A 43 43 PRO HA H 43 5.103 5.247 -0.144 1
1 291 . 11 1 1 A 44 44 ALA H H 44 9.279 9.046 0.233 1
1 292 . 11 1 1 A 44 44 ALA HA H 44 4.286 5.210 -0.924 1
1 296 . 11 1 1 A 44 44 ALA N N 44 122.132 121.740 0.392 1
1 297 . 11 1 1 A 45 45 PRO HA H 45 4.429 4.595 -0.166 1
1 304 . 11 1 1 A 46 46 PHE H H 46 7.058 8.759 -1.701 1
1 305 . 11 1 1 A 46 46 PHE HA H 46 4.931 4.891 0.040 1
1 313 . 11 1 1 A 46 46 PHE N N 46 113.563 118.414 -4.851 1
1 315 . 11 1 1 A 47 47 ALA HA H 47 4.545 4.727 -0.182 1
1 319 . 11 1 1 A 47 47 ALA N N 47 118.533 136.802 -18.269 1
1 320 . 11 1 1 A 48 48 GLY H H 48 7.946 8.356 -0.410 1
1 323 . 11 1 1 A 48 48 GLY N N 48 104.283 123.119 -18.836 1
1 325 . 11 1 1 A 49 49 VAL HA H 49 4.758 4.501 0.257 1
1 333 . 11 1 1 A 49 49 VAL N N 49 119.387 134.941 -15.554 1
1 334 . 11 1 1 A 50 50 VAL H H 50 8.812 7.027 1.785 1
1 335 . 11 1 1 A 50 50 VAL HA H 50 3.672 5.097 -1.425 1
1 343 . 11 1 1 A 50 50 VAL N N 50 126.035 112.367 13.668 1
1 344 . 11 1 1 A 51 51 LYS H H 51 9.404 8.581 0.823 1
1 345 . 11 1 1 A 51 51 LYS HA H 51 4.617 4.186 0.431 1
1 348 . 11 1 1 A 51 51 LYS N N 51 132.567 123.399 9.168 1
1 349 . 11 1 1 A 52 52 GLU H H 52 7.835 8.320 -0.485 1
1 355 . 11 1 1 A 52 52 GLU N N 52 114.290 109.876 4.414 1
1 356 . 11 1 1 A 53 53 LEU H H 53 9.245 8.591 0.654 1
1 357 . 11 1 1 A 53 53 LEU HA H 53 4.671 4.775 -0.104 1
1 367 . 11 1 1 A 53 53 LEU N N 53 126.224 120.160 6.064 1
1 368 . 11 1 1 A 54 54 LYS H H 54 7.816 8.991 -1.175 1
1 369 . 11 1 1 A 54 54 LYS HA H 54 4.632 4.249 0.383 1
1 376 . 11 1 1 A 54 54 LYS N N 54 118.189 127.182 -8.993 1
1 377 . 11 1 1 A 55 55 VAL H H 55 7.145 8.990 -1.845 1
1 378 . 11 1 1 A 55 55 VAL HA H 55 4.740 4.540 0.200 1
1 386 . 11 1 1 A 55 55 VAL N N 55 108.573 128.924 -20.351 1
1 387 . 11 1 1 A 56 56 ASN H H 56 8.970 7.998 0.972 1
1 388 . 11 1 1 A 56 56 ASN HA H 56 5.003 4.719 0.284 1
1 393 . 11 1 1 A 56 56 ASN N N 56 118.276 117.798 0.478 1
1 395 . 11 1 1 A 57 57 VAL H H 57 8.721 8.564 0.157 1
1 396 . 11 1 1 A 57 57 VAL HA H 57 3.277 4.510 -1.233 1
1 404 . 11 1 1 A 57 57 VAL N N 57 119.437 124.478 -5.041 1
1 405 . 11 1 1 A 58 58 GLY H H 58 9.282 8.372 0.910 1
1 408 . 11 1 1 A 58 58 GLY N N 58 116.296 118.158 -1.862 1
1 409 . 11 1 1 A 59 59 ASP H H 59 8.035 7.489 0.546 1
1 410 . 11 1 1 A 59 59 ASP HA H 59 4.600 4.891 -0.291 1
1 413 . 11 1 1 A 59 59 ASP N N 59 121.238 115.451 5.787 1
1 414 . 11 1 1 A 60 60 LYS H H 60 8.577 8.847 -0.270 1
1 415 . 11 1 1 A 60 60 LYS HA H 60 4.648 5.267 -0.619 1
1 424 . 11 1 1 A 60 60 LYS N N 60 121.491 120.650 0.841 1
1 425 . 11 1 1 A 61 61 VAL H H 61 8.939 8.509 0.430 1
1 426 . 11 1 1 A 61 61 VAL HA H 61 4.461 3.485 0.976 1
1 434 . 11 1 1 A 61 61 VAL N N 61 121.545 122.299 -0.754 1
1 435 . 11 1 1 A 62 62 LYS H H 62 8.182 8.933 -0.751 1
1 443 . 11 1 1 A 62 62 LYS N N 62 122.901 115.100 7.801 1
1 444 . 11 1 1 A 63 63 THR H H 63 8.399 7.849 0.550 1
1 445 . 11 1 1 A 63 63 THR HA H 63 3.932 4.894 -0.962 1
1 450 . 11 1 1 A 63 63 THR N N 63 118.278 121.661 -3.383 1
1 451 . 11 1 1 A 64 64 GLY H H 64 9.075 8.531 0.544 1
1 454 . 11 1 1 A 64 64 GLY N N 64 115.336 125.712 -10.376 1
1 455 . 11 1 1 A 65 65 SER H H 65 8.207 8.429 -0.222 1
1 456 . 11 1 1 A 65 65 SER HA H 65 4.339 4.871 -0.532 1
1 459 . 11 1 1 A 65 65 SER N N 65 117.597 120.327 -2.730 1
1 460 . 11 1 1 A 66 66 LEU H H 66 8.666 8.597 0.069 1
1 461 . 11 1 1 A 66 66 LEU HA H 66 4.213 4.802 -0.589 1
1 471 . 11 1 1 A 66 66 LEU N N 66 124.519 127.640 -3.121 1
1 472 . 11 1 1 A 67 67 ILE H H 67 8.663 8.586 0.077 1
1 473 . 11 1 1 A 67 67 ILE HA H 67 4.853 4.114 0.739 1
1 483 . 11 1 1 A 67 67 ILE N N 67 115.104 114.326 0.778 1
1 484 . 11 1 1 A 68 68 MET H H 68 7.736 8.938 -1.202 1
1 490 . 11 1 1 A 68 68 MET N N 68 118.031 114.249 3.782 1
1 491 . 11 1 1 A 69 69 ILE H H 69 8.735 7.665 1.070 1
1 492 . 11 1 1 A 69 69 ILE HA H 69 4.853 4.426 0.427 1
1 502 . 11 1 1 A 69 69 ILE N N 69 118.189 117.906 0.283 1
1 503 . 11 1 1 A 70 70 PHE H H 70 9.447 8.527 0.920 1
1 504 . 11 1 1 A 70 70 PHE HA H 70 5.895 4.269 1.626 1
1 512 . 11 1 1 A 70 70 PHE N N 70 127.483 126.598 0.885 1
1 513 . 11 1 1 A 71 71 GLU H H 71 9.633 8.887 0.746 1
1 514 . 11 1 1 A 71 71 GLU HA H 71 5.109 4.305 0.804 1
1 519 . 11 1 1 A 71 71 GLU N N 71 121.073 119.945 1.128 1
1 520 . 11 1 1 A 72 72 VAL H H 72 8.756 7.476 1.280 1
1 521 . 11 1 1 A 72 72 VAL HA H 72 4.669 4.576 0.093 1
1 529 . 11 1 1 A 72 72 VAL N N 72 121.923 119.031 2.892 1
1 530 . 11 1 1 A 73 73 GLU H H 73 8.495 8.133 0.362 1
1 531 . 11 1 1 A 73 73 GLU HA H 73 4.374 4.637 -0.263 1
1 536 . 11 1 1 A 73 73 GLU N N 73 122.566 123.837 -1.271 1
1 537 . 11 1 1 A 74 74 GLY H H 74 8.462 8.800 -0.338 1
1 540 . 11 1 1 A 74 74 GLY N N 74 110.596 126.525 -15.929 1
1 541 . 11 1 1 A 75 75 ALA H H 75 8.168 8.838 -0.670 1
1 542 . 11 1 1 A 75 75 ALA HA H 75 4.320 4.741 -0.421 1
1 546 . 11 1 1 A 75 75 ALA N N 75 123.148 122.126 1.022 1
1 547 . 11 1 1 A 83 83 LYS H H 83 8.334 8.620 -0.286 1
1 548 . 11 1 1 A 83 83 LYS HA H 83 4.318 4.388 -0.070 1
1 553 . 11 1 1 A 83 83 LYS N N 83 120.883 121.254 -0.371 1
1 554 . 11 1 1 A 84 84 GLN H H 84 8.533 8.542 -0.009 1
1 555 . 11 1 1 A 84 84 GLN HA H 84 4.381 3.907 0.474 1
1 560 . 11 1 1 A 84 84 GLN N N 84 123.135 118.658 4.477 1
1 562 . 11 1 1 A 85 85 GLU HA H 85 4.161 4.489 -0.328 1
1 1 . 12 1 1 A 4 4 GLU H H 4 8.653 8.346 0.307 1
1 2 . 12 1 1 A 4 4 GLU HA H 4 4.327 4.319 0.008 1
1 7 . 12 1 1 A 4 4 GLU N N 4 123.651 125.512 -1.861 1
1 8 . 12 1 1 A 5 5 VAL H H 5 8.248 8.748 -0.500 1
1 9 . 12 1 1 A 5 5 VAL HA H 5 4.140 3.968 0.172 1
1 17 . 12 1 1 A 5 5 VAL N N 5 120.477 125.663 -5.186 1
1 18 . 12 1 1 A 6 6 ASN H H 6 8.569 8.179 0.390 1
1 19 . 12 1 1 A 6 6 ASN HA H 6 4.757 5.260 -0.503 1
1 22 . 12 1 1 A 6 6 ASN N N 6 121.940 117.334 4.606 1
1 23 . 12 1 1 A 7 7 VAL H H 7 8.105 8.582 -0.477 1
1 24 . 12 1 1 A 7 7 VAL HA H 7 4.449 4.509 -0.060 1
1 32 . 12 1 1 A 7 7 VAL N N 7 121.599 121.222 0.377 1
1 34 . 12 1 1 A 9 9 ASP H H 9 8.358 8.621 -0.263 1
1 35 . 12 1 1 A 9 9 ASP HA H 9 4.568 4.865 -0.297 1
1 38 . 12 1 1 A 9 9 ASP N N 9 120.191 121.209 -1.018 1
1 91 . 12 1 1 A 16 16 VAL H H 16 8.199 8.156 0.043 1
1 92 . 12 1 1 A 16 16 VAL HA H 16 4.079 4.352 -0.273 1
1 100 . 12 1 1 A 16 16 VAL N N 16 121.212 121.933 -0.721 1
1 101 . 12 1 1 A 17 17 MET H H 17 8.406 8.196 0.210 1
1 102 . 12 1 1 A 17 17 MET HA H 17 4.519 4.291 0.228 1
1 107 . 12 1 1 A 17 17 MET N N 17 124.123 119.211 4.912 1
1 108 . 12 1 1 A 18 18 VAL H H 18 8.172 9.148 -0.976 1
1 109 . 12 1 1 A 18 18 VAL HA H 18 4.091 4.616 -0.525 1
1 117 . 12 1 1 A 18 18 VAL N N 18 122.154 123.570 -1.416 1
1 118 . 12 1 1 A 19 19 LYS H H 19 8.454 8.620 -0.166 1
1 119 . 12 1 1 A 19 19 LYS HA H 19 4.412 4.726 -0.314 1
1 124 . 12 1 1 A 19 19 LYS N N 19 125.694 120.076 5.618 1
1 125 . 12 1 1 A 20 20 VAL H H 20 8.293 7.502 0.791 1
1 126 . 12 1 1 A 20 20 VAL HA H 20 4.105 4.172 -0.067 1
1 134 . 12 1 1 A 20 20 VAL N N 20 122.063 121.732 0.331 1
1 135 . 12 1 1 A 21 21 GLY H H 21 8.519 8.878 -0.359 1
1 138 . 12 1 1 A 21 21 GLY N N 21 112.272 125.519 -13.247 1
1 139 . 12 1 1 A 22 22 ASP H H 22 8.319 8.788 -0.469 1
1 140 . 12 1 1 A 22 22 ASP HA H 22 4.627 4.020 0.607 1
1 143 . 12 1 1 A 22 22 ASP N N 22 120.284 123.978 -3.694 1
1 144 . 12 1 1 A 24 24 VAL H H 24 8.141 7.840 0.301 1
1 145 . 12 1 1 A 24 24 VAL HA H 24 4.077 3.916 0.161 1
1 153 . 12 1 1 A 24 24 VAL N N 24 121.156 126.924 -5.768 1
1 154 . 12 1 1 A 25 25 ALA H H 25 8.376 7.739 0.637 1
1 159 . 12 1 1 A 25 25 ALA N N 25 127.378 108.756 18.622 1
1 160 . 12 1 1 A 26 26 ALA H H 26 8.260 8.814 -0.554 1
1 161 . 12 1 1 A 26 26 ALA HA H 26 4.302 5.342 -1.040 1
1 165 . 12 1 1 A 26 26 ALA N N 26 123.214 123.652 -0.438 1
1 166 . 12 1 1 A 27 27 GLU H H 27 8.387 8.690 -0.303 1
1 167 . 12 1 1 A 27 27 GLU HA H 27 4.253 4.915 -0.662 1
1 172 . 12 1 1 A 27 27 GLU N N 27 119.491 126.387 -6.896 1
1 173 . 12 1 1 A 28 28 GLN H H 28 8.359 8.908 -0.549 1
1 174 . 12 1 1 A 28 28 GLN HA H 28 4.343 4.311 0.032 1
1 179 . 12 1 1 A 28 28 GLN N N 28 120.668 126.950 -6.282 1
1 180 . 12 1 1 A 29 29 SER H H 29 8.338 7.914 0.424 1
1 181 . 12 1 1 A 29 29 SER HA H 29 4.444 4.584 -0.140 1
1 184 . 12 1 1 A 29 29 SER N N 29 116.599 120.569 -3.970 1
1 185 . 12 1 1 A 30 30 LEU H H 30 8.242 8.541 -0.299 1
1 186 . 12 1 1 A 30 30 LEU HA H 30 4.407 3.995 0.412 1
1 195 . 12 1 1 A 30 30 LEU N N 30 123.757 119.643 4.114 1
1 196 . 12 1 1 A 31 31 ILE H H 31 8.099 8.448 -0.349 1
1 197 . 12 1 1 A 31 31 ILE HA H 31 4.264 4.372 -0.108 1
1 207 . 12 1 1 A 31 31 ILE N N 31 121.487 125.252 -3.765 1
1 208 . 12 1 1 A 32 32 THR H H 32 8.295 7.700 0.595 1
1 209 . 12 1 1 A 32 32 THR HA H 32 4.420 4.383 0.037 1
1 214 . 12 1 1 A 32 32 THR N N 32 119.296 119.313 -0.017 1
1 215 . 12 1 1 A 33 33 VAL H H 33 8.291 8.771 -0.480 1
1 216 . 12 1 1 A 33 33 VAL HA H 33 4.188 4.650 -0.462 1
1 224 . 12 1 1 A 33 33 VAL N N 33 122.829 117.425 5.404 1
1 225 . 12 1 1 A 34 34 GLU H H 34 8.548 8.013 0.535 1
1 226 . 12 1 1 A 34 34 GLU HA H 34 4.316 4.025 0.291 1
1 231 . 12 1 1 A 34 34 GLU N N 34 124.786 121.264 3.522 1
1 232 . 12 1 1 A 35 35 GLY H H 35 8.460 7.934 0.526 1
1 235 . 12 1 1 A 35 35 GLY N N 35 110.109 121.031 -10.922 1
1 236 . 12 1 1 A 36 36 ASP H H 36 8.210 8.113 0.097 1
1 237 . 12 1 1 A 36 36 ASP HA H 36 4.603 3.972 0.631 1
1 240 . 12 1 1 A 36 36 ASP N N 36 120.341 116.458 3.883 1
1 241 . 12 1 1 A 37 37 LYS H H 37 8.282 7.891 0.391 1
1 242 . 12 1 1 A 37 37 LYS HA H 37 4.347 4.129 0.218 1
1 247 . 12 1 1 A 37 37 LYS N N 37 121.069 123.038 -1.969 1
1 248 . 12 1 1 A 38 38 ALA H H 38 8.506 9.063 -0.557 1
1 249 . 12 1 1 A 38 38 ALA HA H 38 4.556 4.488 0.068 1
1 253 . 12 1 1 A 38 38 ALA N N 38 124.365 128.050 -3.685 1
1 254 . 12 1 1 A 39 39 SER H H 39 8.313 7.545 0.768 1
1 258 . 12 1 1 A 39 39 SER N N 39 114.897 105.495 9.402 1
1 259 . 12 1 1 A 40 40 MET H H 40 9.298 8.723 0.575 1
1 260 . 12 1 1 A 40 40 MET HA H 40 4.811 5.311 -0.500 1
1 268 . 12 1 1 A 40 40 MET N N 40 121.658 122.601 -0.943 1
1 269 . 12 1 1 A 41 41 GLU H H 41 8.724 8.939 -0.215 1
1 270 . 12 1 1 A 41 41 GLU HA H 41 4.150 5.132 -0.982 1
1 275 . 12 1 1 A 41 41 GLU N N 41 123.119 122.805 0.314 1
1 276 . 12 1 1 A 42 42 VAL H H 42 8.274 8.864 -0.590 1
1 277 . 12 1 1 A 42 42 VAL HA H 42 4.350 5.107 -0.757 1
1 285 . 12 1 1 A 42 42 VAL N N 42 121.303 123.055 -1.752 1
1 286 . 12 1 1 A 43 43 PRO HA H 43 5.103 5.392 -0.289 1
1 291 . 12 1 1 A 44 44 ALA H H 44 9.279 8.857 0.422 1
1 292 . 12 1 1 A 44 44 ALA HA H 44 4.286 5.060 -0.774 1
1 296 . 12 1 1 A 44 44 ALA N N 44 122.132 125.032 -2.900 1
1 297 . 12 1 1 A 45 45 PRO HA H 45 4.429 4.668 -0.239 1
1 304 . 12 1 1 A 46 46 PHE H H 46 7.058 8.910 -1.852 1
1 305 . 12 1 1 A 46 46 PHE HA H 46 4.931 4.858 0.073 1
1 313 . 12 1 1 A 46 46 PHE N N 46 113.563 118.627 -5.064 1
1 315 . 12 1 1 A 47 47 ALA HA H 47 4.545 4.742 -0.197 1
1 319 . 12 1 1 A 47 47 ALA N N 47 118.533 138.861 -20.328 1
1 320 . 12 1 1 A 48 48 GLY H H 48 7.946 8.334 -0.388 1
1 323 . 12 1 1 A 48 48 GLY N N 48 104.283 123.396 -19.113 1
1 325 . 12 1 1 A 49 49 VAL HA H 49 4.758 4.499 0.259 1
1 333 . 12 1 1 A 49 49 VAL N N 49 119.387 135.283 -15.896 1
1 334 . 12 1 1 A 50 50 VAL H H 50 8.812 6.965 1.847 1
1 335 . 12 1 1 A 50 50 VAL HA H 50 3.672 4.917 -1.245 1
1 343 . 12 1 1 A 50 50 VAL N N 50 126.035 112.239 13.796 1
1 344 . 12 1 1 A 51 51 LYS H H 51 9.404 8.502 0.902 1
1 345 . 12 1 1 A 51 51 LYS HA H 51 4.617 4.082 0.535 1
1 348 . 12 1 1 A 51 51 LYS N N 51 132.567 123.234 9.333 1
1 349 . 12 1 1 A 52 52 GLU H H 52 7.835 8.031 -0.196 1
1 355 . 12 1 1 A 52 52 GLU N N 52 114.290 106.974 7.316 1
1 356 . 12 1 1 A 53 53 LEU H H 53 9.245 8.838 0.407 1
1 357 . 12 1 1 A 53 53 LEU HA H 53 4.671 4.675 -0.004 1
1 367 . 12 1 1 A 53 53 LEU N N 53 126.224 120.941 5.283 1
1 368 . 12 1 1 A 54 54 LYS H H 54 7.816 9.057 -1.241 1
1 369 . 12 1 1 A 54 54 LYS HA H 54 4.632 3.934 0.698 1
1 376 . 12 1 1 A 54 54 LYS N N 54 118.189 127.202 -9.013 1
1 377 . 12 1 1 A 55 55 VAL H H 55 7.145 8.508 -1.363 1
1 378 . 12 1 1 A 55 55 VAL HA H 55 4.740 4.512 0.228 1
1 386 . 12 1 1 A 55 55 VAL N N 55 108.573 128.961 -20.388 1
1 387 . 12 1 1 A 56 56 ASN H H 56 8.970 7.877 1.093 1
1 388 . 12 1 1 A 56 56 ASN HA H 56 5.003 4.798 0.205 1
1 393 . 12 1 1 A 56 56 ASN N N 56 118.276 118.313 -0.037 1
1 395 . 12 1 1 A 57 57 VAL H H 57 8.721 8.572 0.149 1
1 396 . 12 1 1 A 57 57 VAL HA H 57 3.277 4.556 -1.279 1
1 404 . 12 1 1 A 57 57 VAL N N 57 119.437 124.035 -4.598 1
1 405 . 12 1 1 A 58 58 GLY H H 58 9.282 8.912 0.370 1
1 408 . 12 1 1 A 58 58 GLY N N 58 116.296 121.424 -5.128 1
1 409 . 12 1 1 A 59 59 ASP H H 59 8.035 7.342 0.693 1
1 410 . 12 1 1 A 59 59 ASP HA H 59 4.600 4.825 -0.225 1
1 413 . 12 1 1 A 59 59 ASP N N 59 121.238 114.844 6.394 1
1 414 . 12 1 1 A 60 60 LYS H H 60 8.577 8.580 -0.003 1
1 415 . 12 1 1 A 60 60 LYS HA H 60 4.648 5.143 -0.495 1
1 424 . 12 1 1 A 60 60 LYS N N 60 121.491 119.794 1.697 1
1 425 . 12 1 1 A 61 61 VAL H H 61 8.939 8.483 0.456 1
1 426 . 12 1 1 A 61 61 VAL HA H 61 4.461 3.465 0.996 1
1 434 . 12 1 1 A 61 61 VAL N N 61 121.545 122.095 -0.550 1
1 435 . 12 1 1 A 62 62 LYS H H 62 8.182 8.906 -0.724 1
1 443 . 12 1 1 A 62 62 LYS N N 62 122.901 115.398 7.503 1
1 444 . 12 1 1 A 63 63 THR H H 63 8.399 7.651 0.748 1
1 445 . 12 1 1 A 63 63 THR HA H 63 3.932 4.915 -0.983 1
1 450 . 12 1 1 A 63 63 THR N N 63 118.278 121.581 -3.303 1
1 451 . 12 1 1 A 64 64 GLY H H 64 9.075 8.419 0.656 1
1 454 . 12 1 1 A 64 64 GLY N N 64 115.336 123.082 -7.746 1
1 455 . 12 1 1 A 65 65 SER H H 65 8.207 8.419 -0.212 1
1 456 . 12 1 1 A 65 65 SER HA H 65 4.339 4.923 -0.584 1
1 459 . 12 1 1 A 65 65 SER N N 65 117.597 119.022 -1.425 1
1 460 . 12 1 1 A 66 66 LEU H H 66 8.666 8.577 0.089 1
1 461 . 12 1 1 A 66 66 LEU HA H 66 4.213 4.887 -0.674 1
1 471 . 12 1 1 A 66 66 LEU N N 66 124.519 124.560 -0.041 1
1 472 . 12 1 1 A 67 67 ILE H H 67 8.663 8.618 0.045 1
1 473 . 12 1 1 A 67 67 ILE HA H 67 4.853 4.120 0.733 1
1 483 . 12 1 1 A 67 67 ILE N N 67 115.104 115.153 -0.049 1
1 484 . 12 1 1 A 68 68 MET H H 68 7.736 8.923 -1.187 1
1 490 . 12 1 1 A 68 68 MET N N 68 118.031 114.663 3.368 1
1 491 . 12 1 1 A 69 69 ILE H H 69 8.735 7.706 1.029 1
1 492 . 12 1 1 A 69 69 ILE HA H 69 4.853 4.589 0.264 1
1 502 . 12 1 1 A 69 69 ILE N N 69 118.189 117.722 0.467 1
1 503 . 12 1 1 A 70 70 PHE H H 70 9.447 8.852 0.595 1
1 504 . 12 1 1 A 70 70 PHE HA H 70 5.895 4.354 1.541 1
1 512 . 12 1 1 A 70 70 PHE N N 70 127.483 126.889 0.594 1
1 513 . 12 1 1 A 71 71 GLU H H 71 9.633 8.726 0.907 1
1 514 . 12 1 1 A 71 71 GLU HA H 71 5.109 4.459 0.650 1
1 519 . 12 1 1 A 71 71 GLU N N 71 121.073 117.290 3.783 1
1 520 . 12 1 1 A 72 72 VAL H H 72 8.756 7.495 1.261 1
1 521 . 12 1 1 A 72 72 VAL HA H 72 4.669 4.573 0.096 1
1 529 . 12 1 1 A 72 72 VAL N N 72 121.923 119.312 2.611 1
1 530 . 12 1 1 A 73 73 GLU H H 73 8.495 8.252 0.243 1
1 531 . 12 1 1 A 73 73 GLU HA H 73 4.374 4.850 -0.476 1
1 536 . 12 1 1 A 73 73 GLU N N 73 122.566 122.060 0.506 1
1 537 . 12 1 1 A 74 74 GLY H H 74 8.462 9.130 -0.668 1
1 540 . 12 1 1 A 74 74 GLY N N 74 110.596 126.201 -15.605 1
1 541 . 12 1 1 A 75 75 ALA H H 75 8.168 8.832 -0.664 1
1 542 . 12 1 1 A 75 75 ALA HA H 75 4.320 4.746 -0.426 1
1 546 . 12 1 1 A 75 75 ALA N N 75 123.148 122.372 0.776 1
1 547 . 12 1 1 A 83 83 LYS H H 83 8.334 8.844 -0.510 1
1 548 . 12 1 1 A 83 83 LYS HA H 83 4.318 5.151 -0.833 1
1 553 . 12 1 1 A 83 83 LYS N N 83 120.883 125.325 -4.442 1
1 554 . 12 1 1 A 84 84 GLN H H 84 8.533 8.483 0.050 1
1 555 . 12 1 1 A 84 84 GLN HA H 84 4.381 4.906 -0.525 1
1 560 . 12 1 1 A 84 84 GLN N N 84 123.135 124.648 -1.513 1
1 562 . 12 1 1 A 85 85 GLU HA H 85 4.161 4.551 -0.390 1
1 1 . 13 1 1 A 4 4 GLU H H 4 8.653 8.608 0.045 1
1 2 . 13 1 1 A 4 4 GLU HA H 4 4.327 4.657 -0.330 1
1 7 . 13 1 1 A 4 4 GLU N N 4 123.651 119.986 3.665 1
1 8 . 13 1 1 A 5 5 VAL H H 5 8.248 8.387 -0.139 1
1 9 . 13 1 1 A 5 5 VAL HA H 5 4.140 4.227 -0.087 1
1 17 . 13 1 1 A 5 5 VAL N N 5 120.477 121.752 -1.275 1
1 18 . 13 1 1 A 6 6 ASN H H 6 8.569 8.676 -0.107 1
1 19 . 13 1 1 A 6 6 ASN HA H 6 4.757 4.526 0.231 1
1 22 . 13 1 1 A 6 6 ASN N N 6 121.940 120.483 1.457 1
1 23 . 13 1 1 A 7 7 VAL H H 7 8.105 8.262 -0.157 1
1 24 . 13 1 1 A 7 7 VAL HA H 7 4.449 4.849 -0.400 1
1 32 . 13 1 1 A 7 7 VAL N N 7 121.599 116.461 5.138 1
1 34 . 13 1 1 A 9 9 ASP H H 9 8.358 8.378 -0.020 1
1 35 . 13 1 1 A 9 9 ASP HA H 9 4.568 5.303 -0.735 1
1 38 . 13 1 1 A 9 9 ASP N N 9 120.191 117.494 2.697 1
1 91 . 13 1 1 A 16 16 VAL H H 16 8.199 8.791 -0.592 1
1 92 . 13 1 1 A 16 16 VAL HA H 16 4.079 4.998 -0.919 1
1 100 . 13 1 1 A 16 16 VAL N N 16 121.212 124.554 -3.342 1
1 101 . 13 1 1 A 17 17 MET H H 17 8.406 8.327 0.079 1
1 102 . 13 1 1 A 17 17 MET HA H 17 4.519 4.549 -0.030 1
1 107 . 13 1 1 A 17 17 MET N N 17 124.123 117.285 6.838 1
1 108 . 13 1 1 A 18 18 VAL H H 18 8.172 7.803 0.369 1
1 109 . 13 1 1 A 18 18 VAL HA H 18 4.091 4.143 -0.052 1
1 117 . 13 1 1 A 18 18 VAL N N 18 122.154 115.738 6.416 1
1 118 . 13 1 1 A 19 19 LYS H H 19 8.454 8.027 0.427 1
1 119 . 13 1 1 A 19 19 LYS HA H 19 4.412 4.304 0.108 1
1 124 . 13 1 1 A 19 19 LYS N N 19 125.694 118.848 6.846 1
1 125 . 13 1 1 A 20 20 VAL H H 20 8.293 8.671 -0.378 1
1 126 . 13 1 1 A 20 20 VAL HA H 20 4.105 4.836 -0.731 1
1 134 . 13 1 1 A 20 20 VAL N N 20 122.063 123.862 -1.799 1
1 135 . 13 1 1 A 21 21 GLY H H 21 8.519 8.737 -0.218 1
1 138 . 13 1 1 A 21 21 GLY N N 21 112.272 125.788 -13.516 1
1 139 . 13 1 1 A 22 22 ASP H H 22 8.319 8.119 0.200 1
1 140 . 13 1 1 A 22 22 ASP HA H 22 4.627 3.921 0.706 1
1 143 . 13 1 1 A 22 22 ASP N N 22 120.284 117.453 2.831 1
1 144 . 13 1 1 A 24 24 VAL H H 24 8.141 8.174 -0.033 1
1 145 . 13 1 1 A 24 24 VAL HA H 24 4.077 4.325 -0.248 1
1 153 . 13 1 1 A 24 24 VAL N N 24 121.156 125.901 -4.745 1
1 154 . 13 1 1 A 25 25 ALA H H 25 8.376 7.852 0.524 1
1 159 . 13 1 1 A 25 25 ALA N N 25 127.378 109.503 17.875 1
1 160 . 13 1 1 A 26 26 ALA H H 26 8.260 8.100 0.160 1
1 161 . 13 1 1 A 26 26 ALA HA H 26 4.302 4.533 -0.231 1
1 165 . 13 1 1 A 26 26 ALA N N 26 123.214 121.708 1.506 1
1 166 . 13 1 1 A 27 27 GLU H H 27 8.387 9.102 -0.715 1
1 167 . 13 1 1 A 27 27 GLU HA H 27 4.253 4.405 -0.152 1
1 172 . 13 1 1 A 27 27 GLU N N 27 119.491 123.182 -3.691 1
1 173 . 13 1 1 A 28 28 GLN H H 28 8.359 7.465 0.894 1
1 174 . 13 1 1 A 28 28 GLN HA H 28 4.343 4.398 -0.055 1
1 179 . 13 1 1 A 28 28 GLN N N 28 120.668 111.950 8.718 1
1 180 . 13 1 1 A 29 29 SER H H 29 8.338 7.585 0.753 1
1 181 . 13 1 1 A 29 29 SER HA H 29 4.444 4.134 0.310 1
1 184 . 13 1 1 A 29 29 SER N N 29 116.599 126.121 -9.522 1
1 185 . 13 1 1 A 30 30 LEU H H 30 8.242 8.598 -0.356 1
1 186 . 13 1 1 A 30 30 LEU HA H 30 4.407 4.643 -0.236 1
1 195 . 13 1 1 A 30 30 LEU N N 30 123.757 124.691 -0.934 1
1 196 . 13 1 1 A 31 31 ILE H H 31 8.099 7.818 0.281 1
1 197 . 13 1 1 A 31 31 ILE HA H 31 4.264 4.662 -0.398 1
1 207 . 13 1 1 A 31 31 ILE N N 31 121.487 117.961 3.526 1
1 208 . 13 1 1 A 32 32 THR H H 32 8.295 8.887 -0.592 1
1 209 . 13 1 1 A 32 32 THR HA H 32 4.420 4.618 -0.198 1
1 214 . 13 1 1 A 32 32 THR N N 32 119.296 121.689 -2.393 1
1 215 . 13 1 1 A 33 33 VAL H H 33 8.291 7.892 0.399 1
1 216 . 13 1 1 A 33 33 VAL HA H 33 4.188 4.752 -0.564 1
1 224 . 13 1 1 A 33 33 VAL N N 33 122.829 111.570 11.259 1
1 225 . 13 1 1 A 34 34 GLU H H 34 8.548 8.706 -0.158 1
1 226 . 13 1 1 A 34 34 GLU HA H 34 4.316 4.634 -0.318 1
1 231 . 13 1 1 A 34 34 GLU N N 34 124.786 126.869 -2.083 1
1 232 . 13 1 1 A 35 35 GLY H H 35 8.460 7.146 1.314 1
1 235 . 13 1 1 A 35 35 GLY N N 35 110.109 115.210 -5.101 1
1 236 . 13 1 1 A 36 36 ASP H H 36 8.210 8.893 -0.683 1
1 237 . 13 1 1 A 36 36 ASP HA H 36 4.603 5.061 -0.458 1
1 240 . 13 1 1 A 36 36 ASP N N 36 120.341 110.667 9.674 1
1 241 . 13 1 1 A 37 37 LYS H H 37 8.282 8.666 -0.384 1
1 242 . 13 1 1 A 37 37 LYS HA H 37 4.347 4.759 -0.412 1
1 247 . 13 1 1 A 37 37 LYS N N 37 121.069 117.864 3.205 1
1 248 . 13 1 1 A 38 38 ALA H H 38 8.506 8.648 -0.142 1
1 249 . 13 1 1 A 38 38 ALA HA H 38 4.556 4.669 -0.113 1
1 253 . 13 1 1 A 38 38 ALA N N 38 124.365 122.734 1.631 1
1 254 . 13 1 1 A 39 39 SER H H 39 8.313 9.072 -0.759 1
1 258 . 13 1 1 A 39 39 SER N N 39 114.897 114.243 0.654 1
1 259 . 13 1 1 A 40 40 MET H H 40 9.298 7.685 1.613 1
1 260 . 13 1 1 A 40 40 MET HA H 40 4.811 5.205 -0.394 1
1 268 . 13 1 1 A 40 40 MET N N 40 121.658 118.545 3.113 1
1 269 . 13 1 1 A 41 41 GLU H H 41 8.724 8.836 -0.112 1
1 270 . 13 1 1 A 41 41 GLU HA H 41 4.150 4.504 -0.354 1
1 275 . 13 1 1 A 41 41 GLU N N 41 123.119 123.745 -0.626 1
1 276 . 13 1 1 A 42 42 VAL H H 42 8.274 8.677 -0.403 1
1 277 . 13 1 1 A 42 42 VAL HA H 42 4.350 4.241 0.109 1
1 285 . 13 1 1 A 42 42 VAL N N 42 121.303 128.701 -7.398 1
1 286 . 13 1 1 A 43 43 PRO HA H 43 5.103 4.335 0.768 1
1 291 . 13 1 1 A 44 44 ALA H H 44 9.279 8.632 0.647 1
1 292 . 13 1 1 A 44 44 ALA HA H 44 4.286 5.035 -0.749 1
1 296 . 13 1 1 A 44 44 ALA N N 44 122.132 126.980 -4.848 1
1 297 . 13 1 1 A 45 45 PRO HA H 45 4.429 4.506 -0.077 1
1 304 . 13 1 1 A 46 46 PHE H H 46 7.058 8.820 -1.762 1
1 305 . 13 1 1 A 46 46 PHE HA H 46 4.931 4.891 0.040 1
1 313 . 13 1 1 A 46 46 PHE N N 46 113.563 118.650 -5.087 1
1 315 . 13 1 1 A 47 47 ALA HA H 47 4.545 4.762 -0.217 1
1 319 . 13 1 1 A 47 47 ALA N N 47 118.533 138.079 -19.546 1
1 320 . 13 1 1 A 48 48 GLY H H 48 7.946 8.355 -0.409 1
1 323 . 13 1 1 A 48 48 GLY N N 48 104.283 123.602 -19.319 1
1 325 . 13 1 1 A 49 49 VAL HA H 49 4.758 4.531 0.227 1
1 333 . 13 1 1 A 49 49 VAL N N 49 119.387 134.182 -14.795 1
1 334 . 13 1 1 A 50 50 VAL H H 50 8.812 7.093 1.719 1
1 335 . 13 1 1 A 50 50 VAL HA H 50 3.672 4.928 -1.256 1
1 343 . 13 1 1 A 50 50 VAL N N 50 126.035 112.256 13.779 1
1 344 . 13 1 1 A 51 51 LYS H H 51 9.404 8.525 0.879 1
1 345 . 13 1 1 A 51 51 LYS HA H 51 4.617 4.009 0.608 1
1 348 . 13 1 1 A 51 51 LYS N N 51 132.567 122.863 9.704 1
1 349 . 13 1 1 A 52 52 GLU H H 52 7.835 8.202 -0.367 1
1 355 . 13 1 1 A 52 52 GLU N N 52 114.290 108.883 5.407 1
1 356 . 13 1 1 A 53 53 LEU H H 53 9.245 8.531 0.714 1
1 357 . 13 1 1 A 53 53 LEU HA H 53 4.671 4.928 -0.257 1
1 367 . 13 1 1 A 53 53 LEU N N 53 126.224 120.087 6.137 1
1 368 . 13 1 1 A 54 54 LYS H H 54 7.816 9.114 -1.298 1
1 369 . 13 1 1 A 54 54 LYS HA H 54 4.632 4.024 0.608 1
1 376 . 13 1 1 A 54 54 LYS N N 54 118.189 127.053 -8.864 1
1 377 . 13 1 1 A 55 55 VAL H H 55 7.145 8.821 -1.676 1
1 378 . 13 1 1 A 55 55 VAL HA H 55 4.740 4.332 0.408 1
1 386 . 13 1 1 A 55 55 VAL N N 55 108.573 123.824 -15.251 1
1 387 . 13 1 1 A 56 56 ASN H H 56 8.970 7.706 1.264 1
1 388 . 13 1 1 A 56 56 ASN HA H 56 5.003 4.666 0.337 1
1 393 . 13 1 1 A 56 56 ASN N N 56 118.276 119.159 -0.883 1
1 395 . 13 1 1 A 57 57 VAL H H 57 8.721 8.522 0.199 1
1 396 . 13 1 1 A 57 57 VAL HA H 57 3.277 4.293 -1.016 1
1 404 . 13 1 1 A 57 57 VAL N N 57 119.437 122.665 -3.228 1
1 405 . 13 1 1 A 58 58 GLY H H 58 9.282 8.264 1.018 1
1 408 . 13 1 1 A 58 58 GLY N N 58 116.296 118.765 -2.469 1
1 409 . 13 1 1 A 59 59 ASP H H 59 8.035 7.280 0.755 1
1 410 . 13 1 1 A 59 59 ASP HA H 59 4.600 4.822 -0.222 1
1 413 . 13 1 1 A 59 59 ASP N N 59 121.238 114.198 7.040 1
1 414 . 13 1 1 A 60 60 LYS H H 60 8.577 9.001 -0.424 1
1 415 . 13 1 1 A 60 60 LYS HA H 60 4.648 5.261 -0.613 1
1 424 . 13 1 1 A 60 60 LYS N N 60 121.491 120.678 0.813 1
1 425 . 13 1 1 A 61 61 VAL H H 61 8.939 8.520 0.419 1
1 426 . 13 1 1 A 61 61 VAL HA H 61 4.461 3.474 0.987 1
1 434 . 13 1 1 A 61 61 VAL N N 61 121.545 122.325 -0.780 1
1 435 . 13 1 1 A 62 62 LYS H H 62 8.182 8.909 -0.727 1
1 443 . 13 1 1 A 62 62 LYS N N 62 122.901 115.433 7.468 1
1 444 . 13 1 1 A 63 63 THR H H 63 8.399 7.890 0.509 1
1 445 . 13 1 1 A 63 63 THR HA H 63 3.932 4.754 -0.822 1
1 450 . 13 1 1 A 63 63 THR N N 63 118.278 122.183 -3.905 1
1 451 . 13 1 1 A 64 64 GLY H H 64 9.075 8.372 0.703 1
1 454 . 13 1 1 A 64 64 GLY N N 64 115.336 124.923 -9.587 1
1 455 . 13 1 1 A 65 65 SER H H 65 8.207 8.422 -0.215 1
1 456 . 13 1 1 A 65 65 SER HA H 65 4.339 4.960 -0.621 1
1 459 . 13 1 1 A 65 65 SER N N 65 117.597 122.171 -4.574 1
1 460 . 13 1 1 A 66 66 LEU H H 66 8.666 8.086 0.580 1
1 461 . 13 1 1 A 66 66 LEU HA H 66 4.213 4.880 -0.667 1
1 471 . 13 1 1 A 66 66 LEU N N 66 124.519 124.951 -0.432 1
1 472 . 13 1 1 A 67 67 ILE H H 67 8.663 8.661 0.002 1
1 473 . 13 1 1 A 67 67 ILE HA H 67 4.853 3.865 0.988 1
1 483 . 13 1 1 A 67 67 ILE N N 67 115.104 117.626 -2.522 1
1 484 . 13 1 1 A 68 68 MET H H 68 7.736 8.923 -1.187 1
1 490 . 13 1 1 A 68 68 MET N N 68 118.031 115.348 2.683 1
1 491 . 13 1 1 A 69 69 ILE H H 69 8.735 7.740 0.995 1
1 492 . 13 1 1 A 69 69 ILE HA H 69 4.853 4.534 0.319 1
1 502 . 13 1 1 A 69 69 ILE N N 69 118.189 115.878 2.311 1
1 503 . 13 1 1 A 70 70 PHE H H 70 9.447 8.742 0.705 1
1 504 . 13 1 1 A 70 70 PHE HA H 70 5.895 4.446 1.449 1
1 512 . 13 1 1 A 70 70 PHE N N 70 127.483 122.199 5.284 1
1 513 . 13 1 1 A 71 71 GLU H H 71 9.633 8.866 0.767 1
1 514 . 13 1 1 A 71 71 GLU HA H 71 5.109 4.430 0.679 1
1 519 . 13 1 1 A 71 71 GLU N N 71 121.073 117.479 3.594 1
1 520 . 13 1 1 A 72 72 VAL H H 72 8.756 7.540 1.216 1
1 521 . 13 1 1 A 72 72 VAL HA H 72 4.669 4.505 0.164 1
1 529 . 13 1 1 A 72 72 VAL N N 72 121.923 118.828 3.095 1
1 530 . 13 1 1 A 73 73 GLU H H 73 8.495 8.431 0.064 1
1 531 . 13 1 1 A 73 73 GLU HA H 73 4.374 4.713 -0.339 1
1 536 . 13 1 1 A 73 73 GLU N N 73 122.566 123.615 -1.049 1
1 537 . 13 1 1 A 74 74 GLY H H 74 8.462 9.159 -0.697 1
1 540 . 13 1 1 A 74 74 GLY N N 74 110.596 125.986 -15.390 1
1 541 . 13 1 1 A 75 75 ALA H H 75 8.168 9.148 -0.980 1
1 542 . 13 1 1 A 75 75 ALA HA H 75 4.320 4.741 -0.421 1
1 546 . 13 1 1 A 75 75 ALA N N 75 123.148 124.664 -1.516 1
1 547 . 13 1 1 A 83 83 LYS H H 83 8.334 7.595 0.739 1
1 548 . 13 1 1 A 83 83 LYS HA H 83 4.318 4.166 0.152 1
1 553 . 13 1 1 A 83 83 LYS N N 83 120.883 119.343 1.540 1
1 554 . 13 1 1 A 84 84 GLN H H 84 8.533 8.776 -0.243 1
1 555 . 13 1 1 A 84 84 GLN HA H 84 4.381 4.512 -0.131 1
1 560 . 13 1 1 A 84 84 GLN N N 84 123.135 123.089 0.046 1
1 562 . 13 1 1 A 85 85 GLU HA H 85 4.161 4.649 -0.488 1
1 1 . 14 1 1 A 4 4 GLU H H 4 8.653 9.006 -0.353 1
1 2 . 14 1 1 A 4 4 GLU HA H 4 4.327 4.544 -0.217 1
1 7 . 14 1 1 A 4 4 GLU N N 4 123.651 122.213 1.438 1
1 8 . 14 1 1 A 5 5 VAL H H 5 8.248 7.578 0.670 1
1 9 . 14 1 1 A 5 5 VAL HA H 5 4.140 3.691 0.449 1
1 17 . 14 1 1 A 5 5 VAL N N 5 120.477 118.659 1.818 1
1 18 . 14 1 1 A 6 6 ASN H H 6 8.569 8.033 0.536 1
1 19 . 14 1 1 A 6 6 ASN HA H 6 4.757 5.100 -0.343 1
1 22 . 14 1 1 A 6 6 ASN N N 6 121.940 117.169 4.771 1
1 23 . 14 1 1 A 7 7 VAL H H 7 8.105 8.698 -0.593 1
1 24 . 14 1 1 A 7 7 VAL HA H 7 4.449 4.150 0.299 1
1 32 . 14 1 1 A 7 7 VAL N N 7 121.599 126.950 -5.351 1
1 34 . 14 1 1 A 9 9 ASP H H 9 8.358 8.640 -0.282 1
1 35 . 14 1 1 A 9 9 ASP HA H 9 4.568 5.175 -0.607 1
1 38 . 14 1 1 A 9 9 ASP N N 9 120.191 120.811 -0.620 1
1 91 . 14 1 1 A 16 16 VAL H H 16 8.199 7.661 0.538 1
1 92 . 14 1 1 A 16 16 VAL HA H 16 4.079 4.675 -0.596 1
1 100 . 14 1 1 A 16 16 VAL N N 16 121.212 120.638 0.574 1
1 101 . 14 1 1 A 17 17 MET H H 17 8.406 8.833 -0.427 1
1 102 . 14 1 1 A 17 17 MET HA H 17 4.519 4.525 -0.006 1
1 107 . 14 1 1 A 17 17 MET N N 17 124.123 121.869 2.254 1
1 108 . 14 1 1 A 18 18 VAL H H 18 8.172 8.500 -0.328 1
1 109 . 14 1 1 A 18 18 VAL HA H 18 4.091 4.332 -0.241 1
1 117 . 14 1 1 A 18 18 VAL N N 18 122.154 119.324 2.830 1
1 118 . 14 1 1 A 19 19 LYS H H 19 8.454 8.776 -0.322 1
1 119 . 14 1 1 A 19 19 LYS HA H 19 4.412 4.200 0.212 1
1 124 . 14 1 1 A 19 19 LYS N N 19 125.694 125.337 0.357 1
1 125 . 14 1 1 A 20 20 VAL H H 20 8.293 7.577 0.716 1
1 126 . 14 1 1 A 20 20 VAL HA H 20 4.105 4.076 0.029 1
1 134 . 14 1 1 A 20 20 VAL N N 20 122.063 119.489 2.574 1
1 135 . 14 1 1 A 21 21 GLY H H 21 8.519 8.702 -0.183 1
1 138 . 14 1 1 A 21 21 GLY N N 21 112.272 125.738 -13.466 1
1 139 . 14 1 1 A 22 22 ASP H H 22 8.319 8.704 -0.385 1
1 140 . 14 1 1 A 22 22 ASP HA H 22 4.627 4.521 0.106 1
1 143 . 14 1 1 A 22 22 ASP N N 22 120.284 118.874 1.410 1
1 144 . 14 1 1 A 24 24 VAL H H 24 8.141 7.403 0.738 1
1 145 . 14 1 1 A 24 24 VAL HA H 24 4.077 4.088 -0.011 1
1 153 . 14 1 1 A 24 24 VAL N N 24 121.156 121.532 -0.376 1
1 154 . 14 1 1 A 25 25 ALA H H 25 8.376 8.416 -0.040 1
1 159 . 14 1 1 A 25 25 ALA N N 25 127.378 112.557 14.821 1
1 160 . 14 1 1 A 26 26 ALA H H 26 8.260 8.620 -0.360 1
1 161 . 14 1 1 A 26 26 ALA HA H 26 4.302 5.520 -1.218 1
1 165 . 14 1 1 A 26 26 ALA N N 26 123.214 121.032 2.182 1
1 166 . 14 1 1 A 27 27 GLU H H 27 8.387 8.814 -0.427 1
1 167 . 14 1 1 A 27 27 GLU HA H 27 4.253 4.721 -0.468 1
1 172 . 14 1 1 A 27 27 GLU N N 27 119.491 124.315 -4.824 1
1 173 . 14 1 1 A 28 28 GLN H H 28 8.359 8.553 -0.194 1
1 174 . 14 1 1 A 28 28 GLN HA H 28 4.343 3.896 0.447 1
1 179 . 14 1 1 A 28 28 GLN N N 28 120.668 125.079 -4.411 1
1 180 . 14 1 1 A 29 29 SER H H 29 8.338 8.574 -0.236 1
1 181 . 14 1 1 A 29 29 SER HA H 29 4.444 4.703 -0.259 1
1 184 . 14 1 1 A 29 29 SER N N 29 116.599 128.514 -11.915 1
1 185 . 14 1 1 A 30 30 LEU H H 30 8.242 7.933 0.309 1
1 186 . 14 1 1 A 30 30 LEU HA H 30 4.407 4.546 -0.139 1
1 195 . 14 1 1 A 30 30 LEU N N 30 123.757 118.207 5.550 1
1 196 . 14 1 1 A 31 31 ILE H H 31 8.099 7.702 0.397 1
1 197 . 14 1 1 A 31 31 ILE HA H 31 4.264 4.735 -0.471 1
1 207 . 14 1 1 A 31 31 ILE N N 31 121.487 120.057 1.430 1
1 208 . 14 1 1 A 32 32 THR H H 32 8.295 8.614 -0.319 1
1 209 . 14 1 1 A 32 32 THR HA H 32 4.420 4.717 -0.297 1
1 214 . 14 1 1 A 32 32 THR N N 32 119.296 124.460 -5.164 1
1 215 . 14 1 1 A 33 33 VAL H H 33 8.291 8.809 -0.518 1
1 216 . 14 1 1 A 33 33 VAL HA H 33 4.188 4.346 -0.158 1
1 224 . 14 1 1 A 33 33 VAL N N 33 122.829 116.906 5.923 1
1 225 . 14 1 1 A 34 34 GLU H H 34 8.548 8.320 0.228 1
1 226 . 14 1 1 A 34 34 GLU HA H 34 4.316 4.538 -0.222 1
1 231 . 14 1 1 A 34 34 GLU N N 34 124.786 123.251 1.535 1
1 232 . 14 1 1 A 35 35 GLY H H 35 8.460 6.959 1.501 1
1 235 . 14 1 1 A 35 35 GLY N N 35 110.109 118.204 -8.095 1
1 236 . 14 1 1 A 36 36 ASP H H 36 8.210 8.844 -0.634 1
1 237 . 14 1 1 A 36 36 ASP HA H 36 4.603 4.632 -0.029 1
1 240 . 14 1 1 A 36 36 ASP N N 36 120.341 115.002 5.339 1
1 241 . 14 1 1 A 37 37 LYS H H 37 8.282 7.484 0.798 1
1 242 . 14 1 1 A 37 37 LYS HA H 37 4.347 4.437 -0.090 1
1 247 . 14 1 1 A 37 37 LYS N N 37 121.069 122.684 -1.615 1
1 248 . 14 1 1 A 38 38 ALA H H 38 8.506 8.672 -0.166 1
1 249 . 14 1 1 A 38 38 ALA HA H 38 4.556 5.092 -0.536 1
1 253 . 14 1 1 A 38 38 ALA N N 38 124.365 126.829 -2.464 1
1 254 . 14 1 1 A 39 39 SER H H 39 8.313 8.395 -0.082 1
1 258 . 14 1 1 A 39 39 SER N N 39 114.897 111.100 3.797 1
1 259 . 14 1 1 A 40 40 MET H H 40 9.298 8.754 0.544 1
1 260 . 14 1 1 A 40 40 MET HA H 40 4.811 5.040 -0.229 1
1 268 . 14 1 1 A 40 40 MET N N 40 121.658 123.798 -2.140 1
1 269 . 14 1 1 A 41 41 GLU H H 41 8.724 8.413 0.311 1
1 270 . 14 1 1 A 41 41 GLU HA H 41 4.150 4.781 -0.631 1
1 275 . 14 1 1 A 41 41 GLU N N 41 123.119 121.964 1.155 1
1 276 . 14 1 1 A 42 42 VAL H H 42 8.274 8.601 -0.327 1
1 277 . 14 1 1 A 42 42 VAL HA H 42 4.350 4.448 -0.098 1
1 285 . 14 1 1 A 42 42 VAL N N 42 121.303 127.738 -6.435 1
1 286 . 14 1 1 A 43 43 PRO HA H 43 5.103 4.394 0.709 1
1 291 . 14 1 1 A 44 44 ALA H H 44 9.279 8.801 0.478 1
1 292 . 14 1 1 A 44 44 ALA HA H 44 4.286 4.850 -0.564 1
1 296 . 14 1 1 A 44 44 ALA N N 44 122.132 121.858 0.274 1
1 297 . 14 1 1 A 45 45 PRO HA H 45 4.429 4.331 0.098 1
1 304 . 14 1 1 A 46 46 PHE H H 46 7.058 8.861 -1.803 1
1 305 . 14 1 1 A 46 46 PHE HA H 46 4.931 4.874 0.057 1
1 313 . 14 1 1 A 46 46 PHE N N 46 113.563 117.292 -3.729 1
1 315 . 14 1 1 A 47 47 ALA HA H 47 4.545 4.739 -0.194 1
1 319 . 14 1 1 A 47 47 ALA N N 47 118.533 138.720 -20.187 1
1 320 . 14 1 1 A 48 48 GLY H H 48 7.946 8.440 -0.494 1
1 323 . 14 1 1 A 48 48 GLY N N 48 104.283 123.063 -18.780 1
1 325 . 14 1 1 A 49 49 VAL HA H 49 4.758 4.501 0.257 1
1 333 . 14 1 1 A 49 49 VAL N N 49 119.387 135.864 -16.477 1
1 334 . 14 1 1 A 50 50 VAL H H 50 8.812 7.511 1.301 1
1 335 . 14 1 1 A 50 50 VAL HA H 50 3.672 5.024 -1.352 1
1 343 . 14 1 1 A 50 50 VAL N N 50 126.035 112.356 13.679 1
1 344 . 14 1 1 A 51 51 LYS H H 51 9.404 8.433 0.971 1
1 345 . 14 1 1 A 51 51 LYS HA H 51 4.617 3.980 0.637 1
1 348 . 14 1 1 A 51 51 LYS N N 51 132.567 122.489 10.078 1
1 349 . 14 1 1 A 52 52 GLU H H 52 7.835 8.039 -0.204 1
1 355 . 14 1 1 A 52 52 GLU N N 52 114.290 106.172 8.118 1
1 356 . 14 1 1 A 53 53 LEU H H 53 9.245 8.556 0.689 1
1 357 . 14 1 1 A 53 53 LEU HA H 53 4.671 4.712 -0.041 1
1 367 . 14 1 1 A 53 53 LEU N N 53 126.224 120.764 5.460 1
1 368 . 14 1 1 A 54 54 LYS H H 54 7.816 9.023 -1.207 1
1 369 . 14 1 1 A 54 54 LYS HA H 54 4.632 3.979 0.653 1
1 376 . 14 1 1 A 54 54 LYS N N 54 118.189 127.166 -8.977 1
1 377 . 14 1 1 A 55 55 VAL H H 55 7.145 8.918 -1.773 1
1 378 . 14 1 1 A 55 55 VAL HA H 55 4.740 4.578 0.162 1
1 386 . 14 1 1 A 55 55 VAL N N 55 108.573 127.444 -18.871 1
1 387 . 14 1 1 A 56 56 ASN H H 56 8.970 7.700 1.270 1
1 388 . 14 1 1 A 56 56 ASN HA H 56 5.003 4.725 0.278 1
1 393 . 14 1 1 A 56 56 ASN N N 56 118.276 114.580 3.696 1
1 395 . 14 1 1 A 57 57 VAL H H 57 8.721 8.910 -0.189 1
1 396 . 14 1 1 A 57 57 VAL HA H 57 3.277 5.113 -1.836 1
1 404 . 14 1 1 A 57 57 VAL N N 57 119.437 121.500 -2.063 1
1 405 . 14 1 1 A 58 58 GLY H H 58 9.282 8.085 1.197 1
1 408 . 14 1 1 A 58 58 GLY N N 58 116.296 117.610 -1.314 1
1 409 . 14 1 1 A 59 59 ASP H H 59 8.035 7.462 0.573 1
1 410 . 14 1 1 A 59 59 ASP HA H 59 4.600 4.941 -0.341 1
1 413 . 14 1 1 A 59 59 ASP N N 59 121.238 115.913 5.325 1
1 414 . 14 1 1 A 60 60 LYS H H 60 8.577 9.108 -0.531 1
1 415 . 14 1 1 A 60 60 LYS HA H 60 4.648 5.261 -0.613 1
1 424 . 14 1 1 A 60 60 LYS N N 60 121.491 120.960 0.531 1
1 425 . 14 1 1 A 61 61 VAL H H 61 8.939 8.519 0.420 1
1 426 . 14 1 1 A 61 61 VAL HA H 61 4.461 3.497 0.964 1
1 434 . 14 1 1 A 61 61 VAL N N 61 121.545 122.415 -0.870 1
1 435 . 14 1 1 A 62 62 LYS H H 62 8.182 8.934 -0.752 1
1 443 . 14 1 1 A 62 62 LYS N N 62 122.901 115.492 7.409 1
1 444 . 14 1 1 A 63 63 THR H H 63 8.399 7.979 0.420 1
1 445 . 14 1 1 A 63 63 THR HA H 63 3.932 4.747 -0.815 1
1 450 . 14 1 1 A 63 63 THR N N 63 118.278 121.104 -2.826 1
1 451 . 14 1 1 A 64 64 GLY H H 64 9.075 8.532 0.543 1
1 454 . 14 1 1 A 64 64 GLY N N 64 115.336 123.252 -7.916 1
1 455 . 14 1 1 A 65 65 SER H H 65 8.207 8.351 -0.144 1
1 456 . 14 1 1 A 65 65 SER HA H 65 4.339 4.913 -0.574 1
1 459 . 14 1 1 A 65 65 SER N N 65 117.597 120.889 -3.292 1
1 460 . 14 1 1 A 66 66 LEU H H 66 8.666 8.586 0.080 1
1 461 . 14 1 1 A 66 66 LEU HA H 66 4.213 4.891 -0.678 1
1 471 . 14 1 1 A 66 66 LEU N N 66 124.519 125.000 -0.481 1
1 472 . 14 1 1 A 67 67 ILE H H 67 8.663 8.608 0.055 1
1 473 . 14 1 1 A 67 67 ILE HA H 67 4.853 4.150 0.703 1
1 483 . 14 1 1 A 67 67 ILE N N 67 115.104 114.975 0.129 1
1 484 . 14 1 1 A 68 68 MET H H 68 7.736 8.967 -1.231 1
1 490 . 14 1 1 A 68 68 MET N N 68 118.031 114.659 3.372 1
1 491 . 14 1 1 A 69 69 ILE H H 69 8.735 7.683 1.052 1
1 492 . 14 1 1 A 69 69 ILE HA H 69 4.853 4.733 0.120 1
1 502 . 14 1 1 A 69 69 ILE N N 69 118.189 116.676 1.513 1
1 503 . 14 1 1 A 70 70 PHE H H 70 9.447 8.779 0.668 1
1 504 . 14 1 1 A 70 70 PHE HA H 70 5.895 4.292 1.603 1
1 512 . 14 1 1 A 70 70 PHE N N 70 127.483 127.052 0.431 1
1 513 . 14 1 1 A 71 71 GLU H H 71 9.633 8.955 0.678 1
1 514 . 14 1 1 A 71 71 GLU HA H 71 5.109 4.370 0.739 1
1 519 . 14 1 1 A 71 71 GLU N N 71 121.073 118.212 2.861 1
1 520 . 14 1 1 A 72 72 VAL H H 72 8.756 7.738 1.018 1
1 521 . 14 1 1 A 72 72 VAL HA H 72 4.669 4.875 -0.206 1
1 529 . 14 1 1 A 72 72 VAL N N 72 121.923 119.393 2.530 1
1 530 . 14 1 1 A 73 73 GLU H H 73 8.495 8.481 0.014 1
1 531 . 14 1 1 A 73 73 GLU HA H 73 4.374 4.798 -0.424 1
1 536 . 14 1 1 A 73 73 GLU N N 73 122.566 121.158 1.408 1
1 537 . 14 1 1 A 74 74 GLY H H 74 8.462 8.998 -0.536 1
1 540 . 14 1 1 A 74 74 GLY N N 74 110.596 126.480 -15.884 1
1 541 . 14 1 1 A 75 75 ALA H H 75 8.168 8.975 -0.807 1
1 542 . 14 1 1 A 75 75 ALA HA H 75 4.320 4.920 -0.600 1
1 546 . 14 1 1 A 75 75 ALA N N 75 123.148 121.147 2.001 1
1 547 . 14 1 1 A 83 83 LYS H H 83 8.334 8.059 0.275 1
1 548 . 14 1 1 A 83 83 LYS HA H 83 4.318 4.521 -0.203 1
1 553 . 14 1 1 A 83 83 LYS N N 83 120.883 118.898 1.985 1
1 554 . 14 1 1 A 84 84 GLN H H 84 8.533 7.911 0.622 1
1 555 . 14 1 1 A 84 84 GLN HA H 84 4.381 4.042 0.339 1
1 560 . 14 1 1 A 84 84 GLN N N 84 123.135 117.926 5.209 1
1 562 . 14 1 1 A 85 85 GLU HA H 85 4.161 4.496 -0.335 1
1 1 . 15 1 1 A 4 4 GLU H H 4 8.653 8.045 0.608 1
1 2 . 15 1 1 A 4 4 GLU HA H 4 4.327 3.919 0.408 1
1 7 . 15 1 1 A 4 4 GLU N N 4 123.651 114.885 8.766 1
1 8 . 15 1 1 A 5 5 VAL H H 5 8.248 7.668 0.580 1
1 9 . 15 1 1 A 5 5 VAL HA H 5 4.140 4.486 -0.346 1
1 17 . 15 1 1 A 5 5 VAL N N 5 120.477 118.288 2.189 1
1 18 . 15 1 1 A 6 6 ASN H H 6 8.569 8.691 -0.122 1
1 19 . 15 1 1 A 6 6 ASN HA H 6 4.757 5.091 -0.334 1
1 22 . 15 1 1 A 6 6 ASN N N 6 121.940 123.942 -2.002 1
1 23 . 15 1 1 A 7 7 VAL H H 7 8.105 7.270 0.835 1
1 24 . 15 1 1 A 7 7 VAL HA H 7 4.449 4.403 0.046 1
1 32 . 15 1 1 A 7 7 VAL N N 7 121.599 115.429 6.170 1
1 34 . 15 1 1 A 9 9 ASP H H 9 8.358 8.937 -0.579 1
1 35 . 15 1 1 A 9 9 ASP HA H 9 4.568 4.815 -0.247 1
1 38 . 15 1 1 A 9 9 ASP N N 9 120.191 122.138 -1.947 1
1 91 . 15 1 1 A 16 16 VAL H H 16 8.199 8.914 -0.715 1
1 92 . 15 1 1 A 16 16 VAL HA H 16 4.079 5.224 -1.145 1
1 100 . 15 1 1 A 16 16 VAL N N 16 121.212 124.199 -2.987 1
1 101 . 15 1 1 A 17 17 MET H H 17 8.406 8.584 -0.178 1
1 102 . 15 1 1 A 17 17 MET HA H 17 4.519 4.609 -0.090 1
1 107 . 15 1 1 A 17 17 MET N N 17 124.123 119.622 4.501 1
1 108 . 15 1 1 A 18 18 VAL H H 18 8.172 8.713 -0.541 1
1 109 . 15 1 1 A 18 18 VAL HA H 18 4.091 4.375 -0.284 1
1 117 . 15 1 1 A 18 18 VAL N N 18 122.154 122.384 -0.230 1
1 118 . 15 1 1 A 19 19 LYS H H 19 8.454 8.738 -0.284 1
1 119 . 15 1 1 A 19 19 LYS HA H 19 4.412 4.918 -0.506 1
1 124 . 15 1 1 A 19 19 LYS N N 19 125.694 126.158 -0.464 1
1 125 . 15 1 1 A 20 20 VAL H H 20 8.293 8.522 -0.229 1
1 126 . 15 1 1 A 20 20 VAL HA H 20 4.105 4.076 0.029 1
1 134 . 15 1 1 A 20 20 VAL N N 20 122.063 123.011 -0.948 1
1 135 . 15 1 1 A 21 21 GLY H H 21 8.519 7.825 0.694 1
1 138 . 15 1 1 A 21 21 GLY N N 21 112.272 118.806 -6.534 1
1 139 . 15 1 1 A 22 22 ASP H H 22 8.319 9.018 -0.699 1
1 140 . 15 1 1 A 22 22 ASP HA H 22 4.627 4.072 0.555 1
1 143 . 15 1 1 A 22 22 ASP N N 22 120.284 124.566 -4.282 1
1 144 . 15 1 1 A 24 24 VAL H H 24 8.141 8.541 -0.400 1
1 145 . 15 1 1 A 24 24 VAL HA H 24 4.077 3.906 0.171 1
1 153 . 15 1 1 A 24 24 VAL N N 24 121.156 126.620 -5.464 1
1 154 . 15 1 1 A 25 25 ALA H H 25 8.376 7.689 0.687 1
1 159 . 15 1 1 A 25 25 ALA N N 25 127.378 109.005 18.373 1
1 160 . 15 1 1 A 26 26 ALA H H 26 8.260 8.737 -0.477 1
1 161 . 15 1 1 A 26 26 ALA HA H 26 4.302 4.921 -0.619 1
1 165 . 15 1 1 A 26 26 ALA N N 26 123.214 125.119 -1.905 1
1 166 . 15 1 1 A 27 27 GLU H H 27 8.387 8.304 0.083 1
1 167 . 15 1 1 A 27 27 GLU HA H 27 4.253 4.388 -0.135 1
1 172 . 15 1 1 A 27 27 GLU N N 27 119.491 121.571 -2.080 1
1 173 . 15 1 1 A 28 28 GLN H H 28 8.359 8.702 -0.343 1
1 174 . 15 1 1 A 28 28 GLN HA H 28 4.343 4.297 0.046 1
1 179 . 15 1 1 A 28 28 GLN N N 28 120.668 120.762 -0.094 1
1 180 . 15 1 1 A 29 29 SER H H 29 8.338 7.868 0.470 1
1 181 . 15 1 1 A 29 29 SER HA H 29 4.444 3.994 0.450 1
1 184 . 15 1 1 A 29 29 SER N N 29 116.599 123.213 -6.614 1
1 185 . 15 1 1 A 30 30 LEU H H 30 8.242 7.681 0.561 1
1 186 . 15 1 1 A 30 30 LEU HA H 30 4.407 4.769 -0.362 1
1 195 . 15 1 1 A 30 30 LEU N N 30 123.757 118.427 5.330 1
1 196 . 15 1 1 A 31 31 ILE H H 31 8.099 8.719 -0.620 1
1 197 . 15 1 1 A 31 31 ILE HA H 31 4.264 4.916 -0.652 1
1 207 . 15 1 1 A 31 31 ILE N N 31 121.487 119.014 2.473 1
1 208 . 15 1 1 A 32 32 THR H H 32 8.295 8.882 -0.587 1
1 209 . 15 1 1 A 32 32 THR HA H 32 4.420 4.089 0.331 1
1 214 . 15 1 1 A 32 32 THR N N 32 119.296 124.637 -5.341 1
1 215 . 15 1 1 A 33 33 VAL H H 33 8.291 8.056 0.235 1
1 216 . 15 1 1 A 33 33 VAL HA H 33 4.188 4.208 -0.020 1
1 224 . 15 1 1 A 33 33 VAL N N 33 122.829 114.758 8.071 1
1 225 . 15 1 1 A 34 34 GLU H H 34 8.548 8.791 -0.243 1
1 226 . 15 1 1 A 34 34 GLU HA H 34 4.316 4.814 -0.498 1
1 231 . 15 1 1 A 34 34 GLU N N 34 124.786 125.672 -0.886 1
1 232 . 15 1 1 A 35 35 GLY H H 35 8.460 8.512 -0.052 1
1 235 . 15 1 1 A 35 35 GLY N N 35 110.109 123.717 -13.608 1
1 236 . 15 1 1 A 36 36 ASP H H 36 8.210 8.700 -0.490 1
1 237 . 15 1 1 A 36 36 ASP HA H 36 4.603 4.730 -0.127 1
1 240 . 15 1 1 A 36 36 ASP N N 36 120.341 122.187 -1.846 1
1 241 . 15 1 1 A 37 37 LYS H H 37 8.282 8.674 -0.392 1
1 242 . 15 1 1 A 37 37 LYS HA H 37 4.347 4.776 -0.429 1
1 247 . 15 1 1 A 37 37 LYS N N 37 121.069 121.966 -0.897 1
1 248 . 15 1 1 A 38 38 ALA H H 38 8.506 8.483 0.023 1
1 249 . 15 1 1 A 38 38 ALA HA H 38 4.556 5.078 -0.522 1
1 253 . 15 1 1 A 38 38 ALA N N 38 124.365 121.497 2.868 1
1 254 . 15 1 1 A 39 39 SER H H 39 8.313 8.279 0.034 1
1 258 . 15 1 1 A 39 39 SER N N 39 114.897 108.794 6.103 1
1 259 . 15 1 1 A 40 40 MET H H 40 9.298 8.534 0.764 1
1 260 . 15 1 1 A 40 40 MET HA H 40 4.811 4.783 0.028 1
1 268 . 15 1 1 A 40 40 MET N N 40 121.658 122.048 -0.390 1
1 269 . 15 1 1 A 41 41 GLU H H 41 8.724 9.081 -0.357 1
1 270 . 15 1 1 A 41 41 GLU HA H 41 4.150 4.488 -0.338 1
1 275 . 15 1 1 A 41 41 GLU N N 41 123.119 123.252 -0.133 1
1 276 . 15 1 1 A 42 42 VAL H H 42 8.274 7.530 0.744 1
1 277 . 15 1 1 A 42 42 VAL HA H 42 4.350 4.519 -0.169 1
1 285 . 15 1 1 A 42 42 VAL N N 42 121.303 118.571 2.732 1
1 286 . 15 1 1 A 43 43 PRO HA H 43 5.103 4.408 0.695 1
1 291 . 15 1 1 A 44 44 ALA H H 44 9.279 8.626 0.653 1
1 292 . 15 1 1 A 44 44 ALA HA H 44 4.286 4.870 -0.584 1
1 296 . 15 1 1 A 44 44 ALA N N 44 122.132 122.441 -0.309 1
1 297 . 15 1 1 A 45 45 PRO HA H 45 4.429 4.466 -0.037 1
1 304 . 15 1 1 A 46 46 PHE H H 46 7.058 8.789 -1.731 1
1 305 . 15 1 1 A 46 46 PHE HA H 46 4.931 4.849 0.082 1
1 313 . 15 1 1 A 46 46 PHE N N 46 113.563 118.921 -5.358 1
1 315 . 15 1 1 A 47 47 ALA HA H 47 4.545 4.761 -0.216 1
1 319 . 15 1 1 A 47 47 ALA N N 47 118.533 138.771 -20.238 1
1 320 . 15 1 1 A 48 48 GLY H H 48 7.946 8.371 -0.425 1
1 323 . 15 1 1 A 48 48 GLY N N 48 104.283 123.466 -19.183 1
1 325 . 15 1 1 A 49 49 VAL HA H 49 4.758 4.484 0.274 1
1 333 . 15 1 1 A 49 49 VAL N N 49 119.387 136.093 -16.706 1
1 334 . 15 1 1 A 50 50 VAL H H 50 8.812 7.145 1.667 1
1 335 . 15 1 1 A 50 50 VAL HA H 50 3.672 4.907 -1.235 1
1 343 . 15 1 1 A 50 50 VAL N N 50 126.035 112.322 13.713 1
1 344 . 15 1 1 A 51 51 LYS H H 51 9.404 8.465 0.939 1
1 345 . 15 1 1 A 51 51 LYS HA H 51 4.617 4.038 0.579 1
1 348 . 15 1 1 A 51 51 LYS N N 51 132.567 122.954 9.613 1
1 349 . 15 1 1 A 52 52 GLU H H 52 7.835 8.100 -0.265 1
1 355 . 15 1 1 A 52 52 GLU N N 52 114.290 106.736 7.554 1
1 356 . 15 1 1 A 53 53 LEU H H 53 9.245 8.434 0.811 1
1 357 . 15 1 1 A 53 53 LEU HA H 53 4.671 5.052 -0.381 1
1 367 . 15 1 1 A 53 53 LEU N N 53 126.224 119.975 6.249 1
1 368 . 15 1 1 A 54 54 LYS H H 54 7.816 9.004 -1.188 1
1 369 . 15 1 1 A 54 54 LYS HA H 54 4.632 3.811 0.821 1
1 376 . 15 1 1 A 54 54 LYS N N 54 118.189 126.771 -8.582 1
1 377 . 15 1 1 A 55 55 VAL H H 55 7.145 8.456 -1.311 1
1 378 . 15 1 1 A 55 55 VAL HA H 55 4.740 4.131 0.609 1
1 386 . 15 1 1 A 55 55 VAL N N 55 108.573 130.129 -21.556 1
1 387 . 15 1 1 A 56 56 ASN H H 56 8.970 7.645 1.325 1
1 388 . 15 1 1 A 56 56 ASN HA H 56 5.003 4.636 0.367 1
1 393 . 15 1 1 A 56 56 ASN N N 56 118.276 118.191 0.085 1
1 395 . 15 1 1 A 57 57 VAL H H 57 8.721 8.658 0.063 1
1 396 . 15 1 1 A 57 57 VAL HA H 57 3.277 4.252 -0.975 1
1 404 . 15 1 1 A 57 57 VAL N N 57 119.437 127.277 -7.840 1
1 405 . 15 1 1 A 58 58 GLY H H 58 9.282 8.814 0.468 1
1 408 . 15 1 1 A 58 58 GLY N N 58 116.296 125.185 -8.889 1
1 409 . 15 1 1 A 59 59 ASP H H 59 8.035 7.298 0.737 1
1 410 . 15 1 1 A 59 59 ASP HA H 59 4.600 4.843 -0.243 1
1 413 . 15 1 1 A 59 59 ASP N N 59 121.238 114.073 7.165 1
1 414 . 15 1 1 A 60 60 LYS H H 60 8.577 8.621 -0.044 1
1 415 . 15 1 1 A 60 60 LYS HA H 60 4.648 5.098 -0.450 1
1 424 . 15 1 1 A 60 60 LYS N N 60 121.491 121.293 0.198 1
1 425 . 15 1 1 A 61 61 VAL H H 61 8.939 8.514 0.425 1
1 426 . 15 1 1 A 61 61 VAL HA H 61 4.461 3.441 1.020 1
1 434 . 15 1 1 A 61 61 VAL N N 61 121.545 122.195 -0.650 1
1 435 . 15 1 1 A 62 62 LYS H H 62 8.182 8.964 -0.782 1
1 443 . 15 1 1 A 62 62 LYS N N 62 122.901 115.157 7.744 1
1 444 . 15 1 1 A 63 63 THR H H 63 8.399 7.722 0.677 1
1 445 . 15 1 1 A 63 63 THR HA H 63 3.932 4.868 -0.936 1
1 450 . 15 1 1 A 63 63 THR N N 63 118.278 122.031 -3.753 1
1 451 . 15 1 1 A 64 64 GLY H H 64 9.075 8.401 0.674 1
1 454 . 15 1 1 A 64 64 GLY N N 64 115.336 124.841 -9.505 1
1 455 . 15 1 1 A 65 65 SER H H 65 8.207 8.507 -0.300 1
1 456 . 15 1 1 A 65 65 SER HA H 65 4.339 4.848 -0.509 1
1 459 . 15 1 1 A 65 65 SER N N 65 117.597 122.535 -4.938 1
1 460 . 15 1 1 A 66 66 LEU H H 66 8.666 8.141 0.525 1
1 461 . 15 1 1 A 66 66 LEU HA H 66 4.213 4.935 -0.722 1
1 471 . 15 1 1 A 66 66 LEU N N 66 124.519 124.477 0.042 1
1 472 . 15 1 1 A 67 67 ILE H H 67 8.663 8.572 0.091 1
1 473 . 15 1 1 A 67 67 ILE HA H 67 4.853 4.126 0.727 1
1 483 . 15 1 1 A 67 67 ILE N N 67 115.104 115.651 -0.547 1
1 484 . 15 1 1 A 68 68 MET H H 68 7.736 8.918 -1.182 1
1 490 . 15 1 1 A 68 68 MET N N 68 118.031 114.701 3.330 1
1 491 . 15 1 1 A 69 69 ILE H H 69 8.735 7.539 1.196 1
1 492 . 15 1 1 A 69 69 ILE HA H 69 4.853 4.829 0.024 1
1 502 . 15 1 1 A 69 69 ILE N N 69 118.189 113.917 4.272 1
1 503 . 15 1 1 A 70 70 PHE H H 70 9.447 8.468 0.979 1
1 504 . 15 1 1 A 70 70 PHE HA H 70 5.895 4.367 1.528 1
1 512 . 15 1 1 A 70 70 PHE N N 70 127.483 121.885 5.598 1
1 513 . 15 1 1 A 71 71 GLU H H 71 9.633 8.905 0.728 1
1 514 . 15 1 1 A 71 71 GLU HA H 71 5.109 4.436 0.673 1
1 519 . 15 1 1 A 71 71 GLU N N 71 121.073 118.408 2.665 1
1 520 . 15 1 1 A 72 72 VAL H H 72 8.756 7.777 0.979 1
1 521 . 15 1 1 A 72 72 VAL HA H 72 4.669 4.987 -0.318 1
1 529 . 15 1 1 A 72 72 VAL N N 72 121.923 119.740 2.183 1
1 530 . 15 1 1 A 73 73 GLU H H 73 8.495 8.390 0.105 1
1 531 . 15 1 1 A 73 73 GLU HA H 73 4.374 4.887 -0.513 1
1 536 . 15 1 1 A 73 73 GLU N N 73 122.566 120.527 2.039 1
1 537 . 15 1 1 A 74 74 GLY H H 74 8.462 9.178 -0.716 1
1 540 . 15 1 1 A 74 74 GLY N N 74 110.596 126.155 -15.559 1
1 541 . 15 1 1 A 75 75 ALA H H 75 8.168 9.008 -0.840 1
1 542 . 15 1 1 A 75 75 ALA HA H 75 4.320 4.969 -0.649 1
1 546 . 15 1 1 A 75 75 ALA N N 75 123.148 121.643 1.505 1
1 547 . 15 1 1 A 83 83 LYS H H 83 8.334 8.608 -0.274 1
1 548 . 15 1 1 A 83 83 LYS HA H 83 4.318 3.852 0.466 1
1 553 . 15 1 1 A 83 83 LYS N N 83 120.883 118.834 2.049 1
1 554 . 15 1 1 A 84 84 GLN H H 84 8.533 7.919 0.614 1
1 555 . 15 1 1 A 84 84 GLN HA H 84 4.381 4.593 -0.212 1
1 560 . 15 1 1 A 84 84 GLN N N 84 123.135 121.621 1.514 1
1 562 . 15 1 1 A 85 85 GLU HA H 85 4.161 4.748 -0.587 1
1 1 . 16 1 1 A 4 4 GLU H H 4 8.653 8.141 0.512 1
1 2 . 16 1 1 A 4 4 GLU HA H 4 4.327 3.965 0.362 1
1 7 . 16 1 1 A 4 4 GLU N N 4 123.651 115.758 7.893 1
1 8 . 16 1 1 A 5 5 VAL H H 5 8.248 7.846 0.402 1
1 9 . 16 1 1 A 5 5 VAL HA H 5 4.140 4.586 -0.446 1
1 17 . 16 1 1 A 5 5 VAL N N 5 120.477 116.722 3.755 1
1 18 . 16 1 1 A 6 6 ASN H H 6 8.569 8.492 0.077 1
1 19 . 16 1 1 A 6 6 ASN HA H 6 4.757 4.551 0.206 1
1 22 . 16 1 1 A 6 6 ASN N N 6 121.940 120.035 1.905 1
1 23 . 16 1 1 A 7 7 VAL H H 7 8.105 7.930 0.175 1
1 24 . 16 1 1 A 7 7 VAL HA H 7 4.449 4.562 -0.113 1
1 32 . 16 1 1 A 7 7 VAL N N 7 121.599 118.954 2.645 1
1 34 . 16 1 1 A 9 9 ASP H H 9 8.358 8.574 -0.216 1
1 35 . 16 1 1 A 9 9 ASP HA H 9 4.568 4.934 -0.366 1
1 38 . 16 1 1 A 9 9 ASP N N 9 120.191 121.275 -1.084 1
1 91 . 16 1 1 A 16 16 VAL H H 16 8.199 8.701 -0.502 1
1 92 . 16 1 1 A 16 16 VAL HA H 16 4.079 4.593 -0.514 1
1 100 . 16 1 1 A 16 16 VAL N N 16 121.212 128.463 -7.251 1
1 101 . 16 1 1 A 17 17 MET H H 17 8.406 8.339 0.067 1
1 102 . 16 1 1 A 17 17 MET HA H 17 4.519 3.892 0.627 1
1 107 . 16 1 1 A 17 17 MET N N 17 124.123 115.602 8.521 1
1 108 . 16 1 1 A 18 18 VAL H H 18 8.172 7.561 0.611 1
1 109 . 16 1 1 A 18 18 VAL HA H 18 4.091 4.260 -0.169 1
1 117 . 16 1 1 A 18 18 VAL N N 18 122.154 116.347 5.807 1
1 118 . 16 1 1 A 19 19 LYS H H 19 8.454 8.883 -0.429 1
1 119 . 16 1 1 A 19 19 LYS HA H 19 4.412 4.576 -0.164 1
1 124 . 16 1 1 A 19 19 LYS N N 19 125.694 128.799 -3.105 1
1 125 . 16 1 1 A 20 20 VAL H H 20 8.293 7.476 0.817 1
1 126 . 16 1 1 A 20 20 VAL HA H 20 4.105 4.042 0.063 1
1 134 . 16 1 1 A 20 20 VAL N N 20 122.063 118.440 3.623 1
1 135 . 16 1 1 A 21 21 GLY H H 21 8.519 8.418 0.101 1
1 138 . 16 1 1 A 21 21 GLY N N 21 112.272 121.707 -9.435 1
1 139 . 16 1 1 A 22 22 ASP H H 22 8.319 8.599 -0.280 1
1 140 . 16 1 1 A 22 22 ASP HA H 22 4.627 4.265 0.362 1
1 143 . 16 1 1 A 22 22 ASP N N 22 120.284 121.590 -1.306 1
1 144 . 16 1 1 A 24 24 VAL H H 24 8.141 8.368 -0.227 1
1 145 . 16 1 1 A 24 24 VAL HA H 24 4.077 4.407 -0.330 1
1 153 . 16 1 1 A 24 24 VAL N N 24 121.156 124.588 -3.432 1
1 154 . 16 1 1 A 25 25 ALA H H 25 8.376 8.736 -0.360 1
1 159 . 16 1 1 A 25 25 ALA N N 25 127.378 115.849 11.529 1
1 160 . 16 1 1 A 26 26 ALA H H 26 8.260 8.458 -0.198 1
1 161 . 16 1 1 A 26 26 ALA HA H 26 4.302 5.029 -0.727 1
1 165 . 16 1 1 A 26 26 ALA N N 26 123.214 123.516 -0.302 1
1 166 . 16 1 1 A 27 27 GLU H H 27 8.387 8.633 -0.246 1
1 167 . 16 1 1 A 27 27 GLU HA H 27 4.253 4.876 -0.623 1
1 172 . 16 1 1 A 27 27 GLU N N 27 119.491 126.670 -7.179 1
1 173 . 16 1 1 A 28 28 GLN H H 28 8.359 8.644 -0.285 1
1 174 . 16 1 1 A 28 28 GLN HA H 28 4.343 4.309 0.034 1
1 179 . 16 1 1 A 28 28 GLN N N 28 120.668 122.644 -1.976 1
1 180 . 16 1 1 A 29 29 SER H H 29 8.338 8.754 -0.416 1
1 181 . 16 1 1 A 29 29 SER HA H 29 4.444 4.478 -0.034 1
1 184 . 16 1 1 A 29 29 SER N N 29 116.599 126.967 -10.368 1
1 185 . 16 1 1 A 30 30 LEU H H 30 8.242 7.906 0.336 1
1 186 . 16 1 1 A 30 30 LEU HA H 30 4.407 4.665 -0.258 1
1 195 . 16 1 1 A 30 30 LEU N N 30 123.757 117.661 6.096 1
1 196 . 16 1 1 A 31 31 ILE H H 31 8.099 8.864 -0.765 1
1 197 . 16 1 1 A 31 31 ILE HA H 31 4.264 4.488 -0.224 1
1 207 . 16 1 1 A 31 31 ILE N N 31 121.487 122.141 -0.654 1
1 208 . 16 1 1 A 32 32 THR H H 32 8.295 8.999 -0.704 1
1 209 . 16 1 1 A 32 32 THR HA H 32 4.420 3.956 0.464 1
1 214 . 16 1 1 A 32 32 THR N N 32 119.296 126.333 -7.037 1
1 215 . 16 1 1 A 33 33 VAL H H 33 8.291 8.901 -0.610 1
1 216 . 16 1 1 A 33 33 VAL HA H 33 4.188 4.993 -0.805 1
1 224 . 16 1 1 A 33 33 VAL N N 33 122.829 122.039 0.790 1
1 225 . 16 1 1 A 34 34 GLU H H 34 8.548 8.490 0.058 1
1 226 . 16 1 1 A 34 34 GLU HA H 34 4.316 4.558 -0.242 1
1 231 . 16 1 1 A 34 34 GLU N N 34 124.786 123.831 0.955 1
1 232 . 16 1 1 A 35 35 GLY H H 35 8.460 8.872 -0.412 1
1 235 . 16 1 1 A 35 35 GLY N N 35 110.109 125.201 -15.092 1
1 236 . 16 1 1 A 36 36 ASP H H 36 8.210 8.760 -0.550 1
1 237 . 16 1 1 A 36 36 ASP HA H 36 4.603 4.560 0.043 1
1 240 . 16 1 1 A 36 36 ASP N N 36 120.341 122.261 -1.920 1
1 241 . 16 1 1 A 37 37 LYS H H 37 8.282 7.765 0.517 1
1 242 . 16 1 1 A 37 37 LYS HA H 37 4.347 4.218 0.129 1
1 247 . 16 1 1 A 37 37 LYS N N 37 121.069 121.428 -0.359 1
1 248 . 16 1 1 A 38 38 ALA H H 38 8.506 9.150 -0.644 1
1 249 . 16 1 1 A 38 38 ALA HA H 38 4.556 4.722 -0.166 1
1 253 . 16 1 1 A 38 38 ALA N N 38 124.365 126.042 -1.677 1
1 254 . 16 1 1 A 39 39 SER H H 39 8.313 7.327 0.986 1
1 258 . 16 1 1 A 39 39 SER N N 39 114.897 107.285 7.612 1
1 259 . 16 1 1 A 40 40 MET H H 40 9.298 8.427 0.871 1
1 260 . 16 1 1 A 40 40 MET HA H 40 4.811 5.421 -0.610 1
1 268 . 16 1 1 A 40 40 MET N N 40 121.658 119.342 2.316 1
1 269 . 16 1 1 A 41 41 GLU H H 41 8.724 8.642 0.082 1
1 270 . 16 1 1 A 41 41 GLU HA H 41 4.150 4.594 -0.444 1
1 275 . 16 1 1 A 41 41 GLU N N 41 123.119 123.983 -0.864 1
1 276 . 16 1 1 A 42 42 VAL H H 42 8.274 7.844 0.430 1
1 277 . 16 1 1 A 42 42 VAL HA H 42 4.350 4.849 -0.499 1
1 285 . 16 1 1 A 42 42 VAL N N 42 121.303 122.822 -1.519 1
1 286 . 16 1 1 A 43 43 PRO HA H 43 5.103 5.298 -0.195 1
1 291 . 16 1 1 A 44 44 ALA H H 44 9.279 9.055 0.224 1
1 292 . 16 1 1 A 44 44 ALA HA H 44 4.286 5.185 -0.899 1
1 296 . 16 1 1 A 44 44 ALA N N 44 122.132 121.611 0.521 1
1 297 . 16 1 1 A 45 45 PRO HA H 45 4.429 4.417 0.012 1
1 304 . 16 1 1 A 46 46 PHE H H 46 7.058 8.868 -1.810 1
1 305 . 16 1 1 A 46 46 PHE HA H 46 4.931 4.834 0.097 1
1 313 . 16 1 1 A 46 46 PHE N N 46 113.563 118.798 -5.235 1
1 315 . 16 1 1 A 47 47 ALA HA H 47 4.545 4.727 -0.182 1
1 319 . 16 1 1 A 47 47 ALA N N 47 118.533 138.713 -20.180 1
1 320 . 16 1 1 A 48 48 GLY H H 48 7.946 8.374 -0.428 1
1 323 . 16 1 1 A 48 48 GLY N N 48 104.283 123.055 -18.772 1
1 325 . 16 1 1 A 49 49 VAL HA H 49 4.758 4.484 0.274 1
1 333 . 16 1 1 A 49 49 VAL N N 49 119.387 134.232 -14.845 1
1 334 . 16 1 1 A 50 50 VAL H H 50 8.812 6.868 1.944 1
1 335 . 16 1 1 A 50 50 VAL HA H 50 3.672 4.984 -1.312 1
1 343 . 16 1 1 A 50 50 VAL N N 50 126.035 112.000 14.035 1
1 344 . 16 1 1 A 51 51 LYS H H 51 9.404 8.439 0.965 1
1 345 . 16 1 1 A 51 51 LYS HA H 51 4.617 4.140 0.477 1
1 348 . 16 1 1 A 51 51 LYS N N 51 132.567 122.866 9.701 1
1 349 . 16 1 1 A 52 52 GLU H H 52 7.835 8.188 -0.353 1
1 355 . 16 1 1 A 52 52 GLU N N 52 114.290 106.930 7.360 1
1 356 . 16 1 1 A 53 53 LEU H H 53 9.245 8.505 0.740 1
1 357 . 16 1 1 A 53 53 LEU HA H 53 4.671 4.926 -0.255 1
1 367 . 16 1 1 A 53 53 LEU N N 53 126.224 119.658 6.566 1
1 368 . 16 1 1 A 54 54 LYS H H 54 7.816 9.146 -1.330 1
1 369 . 16 1 1 A 54 54 LYS HA H 54 4.632 3.977 0.655 1
1 376 . 16 1 1 A 54 54 LYS N N 54 118.189 127.102 -8.913 1
1 377 . 16 1 1 A 55 55 VAL H H 55 7.145 8.872 -1.727 1
1 378 . 16 1 1 A 55 55 VAL HA H 55 4.740 4.696 0.044 1
1 386 . 16 1 1 A 55 55 VAL N N 55 108.573 126.421 -17.848 1
1 387 . 16 1 1 A 56 56 ASN H H 56 8.970 7.649 1.321 1
1 388 . 16 1 1 A 56 56 ASN HA H 56 5.003 4.710 0.293 1
1 393 . 16 1 1 A 56 56 ASN N N 56 118.276 119.668 -1.392 1
1 395 . 16 1 1 A 57 57 VAL H H 57 8.721 8.584 0.137 1
1 396 . 16 1 1 A 57 57 VAL HA H 57 3.277 4.675 -1.398 1
1 404 . 16 1 1 A 57 57 VAL N N 57 119.437 124.233 -4.796 1
1 405 . 16 1 1 A 58 58 GLY H H 58 9.282 8.746 0.536 1
1 408 . 16 1 1 A 58 58 GLY N N 58 116.296 120.485 -4.189 1
1 409 . 16 1 1 A 59 59 ASP H H 59 8.035 6.900 1.135 1
1 410 . 16 1 1 A 59 59 ASP HA H 59 4.600 4.792 -0.192 1
1 413 . 16 1 1 A 59 59 ASP N N 59 121.238 115.990 5.248 1
1 414 . 16 1 1 A 60 60 LYS H H 60 8.577 8.703 -0.126 1
1 415 . 16 1 1 A 60 60 LYS HA H 60 4.648 5.194 -0.546 1
1 424 . 16 1 1 A 60 60 LYS N N 60 121.491 120.955 0.536 1
1 425 . 16 1 1 A 61 61 VAL H H 61 8.939 8.460 0.479 1
1 426 . 16 1 1 A 61 61 VAL HA H 61 4.461 3.454 1.007 1
1 434 . 16 1 1 A 61 61 VAL N N 61 121.545 122.034 -0.489 1
1 435 . 16 1 1 A 62 62 LYS H H 62 8.182 8.899 -0.717 1
1 443 . 16 1 1 A 62 62 LYS N N 62 122.901 114.957 7.944 1
1 444 . 16 1 1 A 63 63 THR H H 63 8.399 7.500 0.899 1
1 445 . 16 1 1 A 63 63 THR HA H 63 3.932 4.909 -0.977 1
1 450 . 16 1 1 A 63 63 THR N N 63 118.278 121.077 -2.799 1
1 451 . 16 1 1 A 64 64 GLY H H 64 9.075 8.451 0.624 1
1 454 . 16 1 1 A 64 64 GLY N N 64 115.336 124.095 -8.759 1
1 455 . 16 1 1 A 65 65 SER H H 65 8.207 8.377 -0.170 1
1 456 . 16 1 1 A 65 65 SER HA H 65 4.339 4.988 -0.649 1
1 459 . 16 1 1 A 65 65 SER N N 65 117.597 120.598 -3.001 1
1 460 . 16 1 1 A 66 66 LEU H H 66 8.666 8.552 0.114 1
1 461 . 16 1 1 A 66 66 LEU HA H 66 4.213 4.896 -0.683 1
1 471 . 16 1 1 A 66 66 LEU N N 66 124.519 125.764 -1.245 1
1 472 . 16 1 1 A 67 67 ILE H H 67 8.663 8.618 0.045 1
1 473 . 16 1 1 A 67 67 ILE HA H 67 4.853 4.114 0.739 1
1 483 . 16 1 1 A 67 67 ILE N N 67 115.104 115.744 -0.640 1
1 484 . 16 1 1 A 68 68 MET H H 68 7.736 8.910 -1.174 1
1 490 . 16 1 1 A 68 68 MET N N 68 118.031 114.746 3.285 1
1 491 . 16 1 1 A 69 69 ILE H H 69 8.735 7.784 0.951 1
1 492 . 16 1 1 A 69 69 ILE HA H 69 4.853 4.647 0.206 1
1 502 . 16 1 1 A 69 69 ILE N N 69 118.189 118.246 -0.057 1
1 503 . 16 1 1 A 70 70 PHE H H 70 9.447 8.783 0.664 1
1 504 . 16 1 1 A 70 70 PHE HA H 70 5.895 4.599 1.296 1
1 512 . 16 1 1 A 70 70 PHE N N 70 127.483 125.573 1.910 1
1 513 . 16 1 1 A 71 71 GLU H H 71 9.633 8.690 0.943 1
1 514 . 16 1 1 A 71 71 GLU HA H 71 5.109 4.368 0.741 1
1 519 . 16 1 1 A 71 71 GLU N N 71 121.073 118.035 3.038 1
1 520 . 16 1 1 A 72 72 VAL H H 72 8.756 7.712 1.044 1
1 521 . 16 1 1 A 72 72 VAL HA H 72 4.669 4.896 -0.227 1
1 529 . 16 1 1 A 72 72 VAL N N 72 121.923 119.329 2.594 1
1 530 . 16 1 1 A 73 73 GLU H H 73 8.495 8.124 0.371 1
1 531 . 16 1 1 A 73 73 GLU HA H 73 4.374 4.788 -0.414 1
1 536 . 16 1 1 A 73 73 GLU N N 73 122.566 120.077 2.489 1
1 537 . 16 1 1 A 74 74 GLY H H 74 8.462 9.070 -0.608 1
1 540 . 16 1 1 A 74 74 GLY N N 74 110.596 125.792 -15.196 1
1 541 . 16 1 1 A 75 75 ALA H H 75 8.168 8.684 -0.516 1
1 542 . 16 1 1 A 75 75 ALA HA H 75 4.320 4.613 -0.293 1
1 546 . 16 1 1 A 75 75 ALA N N 75 123.148 124.317 -1.169 1
1 547 . 16 1 1 A 83 83 LYS H H 83 8.334 7.734 0.600 1
1 548 . 16 1 1 A 83 83 LYS HA H 83 4.318 4.514 -0.196 1
1 553 . 16 1 1 A 83 83 LYS N N 83 120.883 119.612 1.271 1
1 554 . 16 1 1 A 84 84 GLN H H 84 8.533 7.290 1.243 1
1 555 . 16 1 1 A 84 84 GLN HA H 84 4.381 4.419 -0.038 1
1 560 . 16 1 1 A 84 84 GLN N N 84 123.135 122.079 1.056 1
1 562 . 16 1 1 A 85 85 GLU HA H 85 4.161 4.558 -0.397 1
1 1 . 17 1 1 A 4 4 GLU H H 4 8.653 7.757 0.896 1
1 2 . 17 1 1 A 4 4 GLU HA H 4 4.327 4.966 -0.639 1
1 7 . 17 1 1 A 4 4 GLU N N 4 123.651 120.565 3.086 1
1 8 . 17 1 1 A 5 5 VAL H H 5 8.248 8.830 -0.582 1
1 9 . 17 1 1 A 5 5 VAL HA H 5 4.140 4.756 -0.616 1
1 17 . 17 1 1 A 5 5 VAL N N 5 120.477 122.550 -2.073 1
1 18 . 17 1 1 A 6 6 ASN H H 6 8.569 8.860 -0.291 1
1 19 . 17 1 1 A 6 6 ASN HA H 6 4.757 4.429 0.328 1
1 22 . 17 1 1 A 6 6 ASN N N 6 121.940 119.418 2.522 1
1 23 . 17 1 1 A 7 7 VAL H H 7 8.105 7.641 0.464 1
1 24 . 17 1 1 A 7 7 VAL HA H 7 4.449 4.403 0.046 1
1 32 . 17 1 1 A 7 7 VAL N N 7 121.599 119.028 2.571 1
1 34 . 17 1 1 A 9 9 ASP H H 9 8.358 8.755 -0.397 1
1 35 . 17 1 1 A 9 9 ASP HA H 9 4.568 4.873 -0.305 1
1 38 . 17 1 1 A 9 9 ASP N N 9 120.191 121.728 -1.537 1
1 91 . 17 1 1 A 16 16 VAL H H 16 8.199 8.901 -0.702 1
1 92 . 17 1 1 A 16 16 VAL HA H 16 4.079 4.749 -0.670 1
1 100 . 17 1 1 A 16 16 VAL N N 16 121.212 128.418 -7.206 1
1 101 . 17 1 1 A 17 17 MET H H 17 8.406 8.959 -0.553 1
1 102 . 17 1 1 A 17 17 MET HA H 17 4.519 4.998 -0.479 1
1 107 . 17 1 1 A 17 17 MET N N 17 124.123 119.445 4.678 1
1 108 . 17 1 1 A 18 18 VAL H H 18 8.172 8.774 -0.602 1
1 109 . 17 1 1 A 18 18 VAL HA H 18 4.091 4.535 -0.444 1
1 117 . 17 1 1 A 18 18 VAL N N 18 122.154 115.252 6.902 1
1 118 . 17 1 1 A 19 19 LYS H H 19 8.454 7.978 0.476 1
1 119 . 17 1 1 A 19 19 LYS HA H 19 4.412 4.295 0.117 1
1 124 . 17 1 1 A 19 19 LYS N N 19 125.694 119.178 6.516 1
1 125 . 17 1 1 A 20 20 VAL H H 20 8.293 7.810 0.483 1
1 126 . 17 1 1 A 20 20 VAL HA H 20 4.105 4.272 -0.167 1
1 134 . 17 1 1 A 20 20 VAL N N 20 122.063 118.066 3.997 1
1 135 . 17 1 1 A 21 21 GLY H H 21 8.519 8.062 0.457 1
1 138 . 17 1 1 A 21 21 GLY N N 21 112.272 115.945 -3.673 1
1 139 . 17 1 1 A 22 22 ASP H H 22 8.319 7.581 0.738 1
1 140 . 17 1 1 A 22 22 ASP HA H 22 4.627 4.445 0.182 1
1 143 . 17 1 1 A 22 22 ASP N N 22 120.284 117.470 2.814 1
1 144 . 17 1 1 A 24 24 VAL H H 24 8.141 8.123 0.018 1
1 145 . 17 1 1 A 24 24 VAL HA H 24 4.077 4.449 -0.372 1
1 153 . 17 1 1 A 24 24 VAL N N 24 121.156 117.398 3.758 1
1 154 . 17 1 1 A 25 25 ALA H H 25 8.376 7.988 0.388 1
1 159 . 17 1 1 A 25 25 ALA N N 25 127.378 110.324 17.054 1
1 160 . 17 1 1 A 26 26 ALA H H 26 8.260 8.618 -0.358 1
1 161 . 17 1 1 A 26 26 ALA HA H 26 4.302 5.014 -0.712 1
1 165 . 17 1 1 A 26 26 ALA N N 26 123.214 118.095 5.119 1
1 166 . 17 1 1 A 27 27 GLU H H 27 8.387 8.585 -0.198 1
1 167 . 17 1 1 A 27 27 GLU HA H 27 4.253 4.727 -0.474 1
1 172 . 17 1 1 A 27 27 GLU N N 27 119.491 120.382 -0.891 1
1 173 . 17 1 1 A 28 28 GLN H H 28 8.359 8.868 -0.509 1
1 174 . 17 1 1 A 28 28 GLN HA H 28 4.343 4.817 -0.474 1
1 179 . 17 1 1 A 28 28 GLN N N 28 120.668 125.709 -5.041 1
1 180 . 17 1 1 A 29 29 SER H H 29 8.338 8.579 -0.241 1
1 181 . 17 1 1 A 29 29 SER HA H 29 4.444 4.915 -0.471 1
1 184 . 17 1 1 A 29 29 SER N N 29 116.599 129.850 -13.251 1
1 185 . 17 1 1 A 30 30 LEU H H 30 8.242 8.451 -0.209 1
1 186 . 17 1 1 A 30 30 LEU HA H 30 4.407 4.421 -0.014 1
1 195 . 17 1 1 A 30 30 LEU N N 30 123.757 122.765 0.992 1
1 196 . 17 1 1 A 31 31 ILE H H 31 8.099 8.592 -0.493 1
1 197 . 17 1 1 A 31 31 ILE HA H 31 4.264 5.149 -0.885 1
1 207 . 17 1 1 A 31 31 ILE N N 31 121.487 119.989 1.498 1
1 208 . 17 1 1 A 32 32 THR H H 32 8.295 8.697 -0.402 1
1 209 . 17 1 1 A 32 32 THR HA H 32 4.420 4.977 -0.557 1
1 214 . 17 1 1 A 32 32 THR N N 32 119.296 125.587 -6.291 1
1 215 . 17 1 1 A 33 33 VAL H H 33 8.291 8.759 -0.468 1
1 216 . 17 1 1 A 33 33 VAL HA H 33 4.188 4.899 -0.711 1
1 224 . 17 1 1 A 33 33 VAL N N 33 122.829 115.474 7.355 1
1 225 . 17 1 1 A 34 34 GLU H H 34 8.548 8.694 -0.146 1
1 226 . 17 1 1 A 34 34 GLU HA H 34 4.316 4.610 -0.294 1
1 231 . 17 1 1 A 34 34 GLU N N 34 124.786 124.181 0.605 1
1 232 . 17 1 1 A 35 35 GLY H H 35 8.460 7.419 1.041 1
1 235 . 17 1 1 A 35 35 GLY N N 35 110.109 118.185 -8.076 1
1 236 . 17 1 1 A 36 36 ASP H H 36 8.210 7.935 0.275 1
1 237 . 17 1 1 A 36 36 ASP HA H 36 4.603 4.936 -0.333 1
1 240 . 17 1 1 A 36 36 ASP N N 36 120.341 121.041 -0.700 1
1 241 . 17 1 1 A 37 37 LYS H H 37 8.282 8.597 -0.315 1
1 242 . 17 1 1 A 37 37 LYS HA H 37 4.347 4.292 0.055 1
1 247 . 17 1 1 A 37 37 LYS N N 37 121.069 123.633 -2.564 1
1 248 . 17 1 1 A 38 38 ALA H H 38 8.506 8.179 0.327 1
1 249 . 17 1 1 A 38 38 ALA HA H 38 4.556 3.956 0.600 1
1 253 . 17 1 1 A 38 38 ALA N N 38 124.365 115.950 8.415 1
1 254 . 17 1 1 A 39 39 SER H H 39 8.313 8.387 -0.074 1
1 258 . 17 1 1 A 39 39 SER N N 39 114.897 109.217 5.680 1
1 259 . 17 1 1 A 40 40 MET H H 40 9.298 7.694 1.604 1
1 260 . 17 1 1 A 40 40 MET HA H 40 4.811 4.873 -0.062 1
1 268 . 17 1 1 A 40 40 MET N N 40 121.658 120.375 1.283 1
1 269 . 17 1 1 A 41 41 GLU H H 41 8.724 8.687 0.037 1
1 270 . 17 1 1 A 41 41 GLU HA H 41 4.150 4.336 -0.186 1
1 275 . 17 1 1 A 41 41 GLU N N 41 123.119 121.469 1.650 1
1 276 . 17 1 1 A 42 42 VAL H H 42 8.274 8.587 -0.313 1
1 277 . 17 1 1 A 42 42 VAL HA H 42 4.350 4.194 0.156 1
1 285 . 17 1 1 A 42 42 VAL N N 42 121.303 124.214 -2.911 1
1 286 . 17 1 1 A 43 43 PRO HA H 43 5.103 4.336 0.767 1
1 291 . 17 1 1 A 44 44 ALA H H 44 9.279 8.538 0.741 1
1 292 . 17 1 1 A 44 44 ALA HA H 44 4.286 5.009 -0.723 1
1 296 . 17 1 1 A 44 44 ALA N N 44 122.132 124.607 -2.475 1
1 297 . 17 1 1 A 45 45 PRO HA H 45 4.429 4.468 -0.039 1
1 304 . 17 1 1 A 46 46 PHE H H 46 7.058 8.814 -1.756 1
1 305 . 17 1 1 A 46 46 PHE HA H 46 4.931 4.886 0.045 1
1 313 . 17 1 1 A 46 46 PHE N N 46 113.563 119.089 -5.526 1
1 315 . 17 1 1 A 47 47 ALA HA H 47 4.545 4.724 -0.179 1
1 319 . 17 1 1 A 47 47 ALA N N 47 118.533 138.536 -20.003 1
1 320 . 17 1 1 A 48 48 GLY H H 48 7.946 8.248 -0.302 1
1 323 . 17 1 1 A 48 48 GLY N N 48 104.283 123.535 -19.252 1
1 325 . 17 1 1 A 49 49 VAL HA H 49 4.758 4.523 0.235 1
1 333 . 17 1 1 A 49 49 VAL N N 49 119.387 135.359 -15.972 1
1 334 . 17 1 1 A 50 50 VAL H H 50 8.812 7.190 1.622 1
1 335 . 17 1 1 A 50 50 VAL HA H 50 3.672 4.927 -1.255 1
1 343 . 17 1 1 A 50 50 VAL N N 50 126.035 112.332 13.703 1
1 344 . 17 1 1 A 51 51 LYS H H 51 9.404 8.541 0.863 1
1 345 . 17 1 1 A 51 51 LYS HA H 51 4.617 4.017 0.600 1
1 348 . 17 1 1 A 51 51 LYS N N 51 132.567 123.171 9.396 1
1 349 . 17 1 1 A 52 52 GLU H H 52 7.835 8.122 -0.287 1
1 355 . 17 1 1 A 52 52 GLU N N 52 114.290 108.824 5.466 1
1 356 . 17 1 1 A 53 53 LEU H H 53 9.245 8.447 0.798 1
1 357 . 17 1 1 A 53 53 LEU HA H 53 4.671 4.885 -0.214 1
1 367 . 17 1 1 A 53 53 LEU N N 53 126.224 119.894 6.330 1
1 368 . 17 1 1 A 54 54 LYS H H 54 7.816 9.082 -1.266 1
1 369 . 17 1 1 A 54 54 LYS HA H 54 4.632 4.023 0.609 1
1 376 . 17 1 1 A 54 54 LYS N N 54 118.189 126.464 -8.275 1
1 377 . 17 1 1 A 55 55 VAL H H 55 7.145 8.642 -1.497 1
1 378 . 17 1 1 A 55 55 VAL HA H 55 4.740 4.443 0.297 1
1 386 . 17 1 1 A 55 55 VAL N N 55 108.573 129.884 -21.311 1
1 387 . 17 1 1 A 56 56 ASN H H 56 8.970 7.749 1.221 1
1 388 . 17 1 1 A 56 56 ASN HA H 56 5.003 4.825 0.178 1
1 393 . 17 1 1 A 56 56 ASN N N 56 118.276 118.497 -0.221 1
1 395 . 17 1 1 A 57 57 VAL H H 57 8.721 8.748 -0.027 1
1 396 . 17 1 1 A 57 57 VAL HA H 57 3.277 4.556 -1.279 1
1 404 . 17 1 1 A 57 57 VAL N N 57 119.437 127.910 -8.473 1
1 405 . 17 1 1 A 58 58 GLY H H 58 9.282 8.799 0.483 1
1 408 . 17 1 1 A 58 58 GLY N N 58 116.296 124.032 -7.736 1
1 409 . 17 1 1 A 59 59 ASP H H 59 8.035 7.457 0.578 1
1 410 . 17 1 1 A 59 59 ASP HA H 59 4.600 4.852 -0.252 1
1 413 . 17 1 1 A 59 59 ASP N N 59 121.238 114.827 6.411 1
1 414 . 17 1 1 A 60 60 LYS H H 60 8.577 8.797 -0.220 1
1 415 . 17 1 1 A 60 60 LYS HA H 60 4.648 5.284 -0.636 1
1 424 . 17 1 1 A 60 60 LYS N N 60 121.491 120.769 0.722 1
1 425 . 17 1 1 A 61 61 VAL H H 61 8.939 8.499 0.440 1
1 426 . 17 1 1 A 61 61 VAL HA H 61 4.461 3.495 0.966 1
1 434 . 17 1 1 A 61 61 VAL N N 61 121.545 122.346 -0.801 1
1 435 . 17 1 1 A 62 62 LYS H H 62 8.182 8.826 -0.644 1
1 443 . 17 1 1 A 62 62 LYS N N 62 122.901 114.891 8.010 1
1 444 . 17 1 1 A 63 63 THR H H 63 8.399 7.743 0.656 1
1 445 . 17 1 1 A 63 63 THR HA H 63 3.932 4.882 -0.950 1
1 450 . 17 1 1 A 63 63 THR N N 63 118.278 121.430 -3.152 1
1 451 . 17 1 1 A 64 64 GLY H H 64 9.075 8.450 0.625 1
1 454 . 17 1 1 A 64 64 GLY N N 64 115.336 128.070 -12.734 1
1 455 . 17 1 1 A 65 65 SER H H 65 8.207 8.568 -0.361 1
1 456 . 17 1 1 A 65 65 SER HA H 65 4.339 4.863 -0.524 1
1 459 . 17 1 1 A 65 65 SER N N 65 117.597 125.851 -8.254 1
1 460 . 17 1 1 A 66 66 LEU H H 66 8.666 8.593 0.073 1
1 461 . 17 1 1 A 66 66 LEU HA H 66 4.213 4.876 -0.663 1
1 471 . 17 1 1 A 66 66 LEU N N 66 124.519 124.790 -0.271 1
1 472 . 17 1 1 A 67 67 ILE H H 67 8.663 8.657 0.006 1
1 473 . 17 1 1 A 67 67 ILE HA H 67 4.853 3.864 0.989 1
1 483 . 17 1 1 A 67 67 ILE N N 67 115.104 117.573 -2.469 1
1 484 . 17 1 1 A 68 68 MET H H 68 7.736 8.922 -1.186 1
1 490 . 17 1 1 A 68 68 MET N N 68 118.031 115.324 2.707 1
1 491 . 17 1 1 A 69 69 ILE H H 69 8.735 7.930 0.805 1
1 492 . 17 1 1 A 69 69 ILE HA H 69 4.853 4.617 0.236 1
1 502 . 17 1 1 A 69 69 ILE N N 69 118.189 116.770 1.419 1
1 503 . 17 1 1 A 70 70 PHE H H 70 9.447 8.664 0.783 1
1 504 . 17 1 1 A 70 70 PHE HA H 70 5.895 4.344 1.551 1
1 512 . 17 1 1 A 70 70 PHE N N 70 127.483 125.914 1.569 1
1 513 . 17 1 1 A 71 71 GLU H H 71 9.633 8.962 0.671 1
1 514 . 17 1 1 A 71 71 GLU HA H 71 5.109 4.366 0.743 1
1 519 . 17 1 1 A 71 71 GLU N N 71 121.073 118.188 2.885 1
1 520 . 17 1 1 A 72 72 VAL H H 72 8.756 7.704 1.052 1
1 521 . 17 1 1 A 72 72 VAL HA H 72 4.669 4.871 -0.202 1
1 529 . 17 1 1 A 72 72 VAL N N 72 121.923 119.363 2.560 1
1 530 . 17 1 1 A 73 73 GLU H H 73 8.495 8.334 0.161 1
1 531 . 17 1 1 A 73 73 GLU HA H 73 4.374 4.747 -0.373 1
1 536 . 17 1 1 A 73 73 GLU N N 73 122.566 121.251 1.315 1
1 537 . 17 1 1 A 74 74 GLY H H 74 8.462 9.156 -0.694 1
1 540 . 17 1 1 A 74 74 GLY N N 74 110.596 125.052 -14.456 1
1 541 . 17 1 1 A 75 75 ALA H H 75 8.168 9.165 -0.997 1
1 542 . 17 1 1 A 75 75 ALA HA H 75 4.320 4.775 -0.455 1
1 546 . 17 1 1 A 75 75 ALA N N 75 123.148 124.020 -0.872 1
1 547 . 17 1 1 A 83 83 LYS H H 83 8.334 8.641 -0.307 1
1 548 . 17 1 1 A 83 83 LYS HA H 83 4.318 4.005 0.313 1
1 553 . 17 1 1 A 83 83 LYS N N 83 120.883 122.015 -1.132 1
1 554 . 17 1 1 A 84 84 GLN H H 84 8.533 7.828 0.705 1
1 555 . 17 1 1 A 84 84 GLN HA H 84 4.381 3.979 0.402 1
1 560 . 17 1 1 A 84 84 GLN N N 84 123.135 118.533 4.602 1
1 562 . 17 1 1 A 85 85 GLU HA H 85 4.161 4.532 -0.371 1
1 1 . 18 1 1 A 4 4 GLU H H 4 8.653 8.822 -0.169 1
1 2 . 18 1 1 A 4 4 GLU HA H 4 4.327 4.496 -0.169 1
1 7 . 18 1 1 A 4 4 GLU N N 4 123.651 123.587 0.064 1
1 8 . 18 1 1 A 5 5 VAL H H 5 8.248 8.374 -0.126 1
1 9 . 18 1 1 A 5 5 VAL HA H 5 4.140 4.171 -0.031 1
1 17 . 18 1 1 A 5 5 VAL N N 5 120.477 119.146 1.331 1
1 18 . 18 1 1 A 6 6 ASN H H 6 8.569 8.688 -0.119 1
1 19 . 18 1 1 A 6 6 ASN HA H 6 4.757 4.820 -0.063 1
1 22 . 18 1 1 A 6 6 ASN N N 6 121.940 124.148 -2.208 1
1 23 . 18 1 1 A 7 7 VAL H H 7 8.105 8.537 -0.432 1
1 24 . 18 1 1 A 7 7 VAL HA H 7 4.449 4.152 0.297 1
1 32 . 18 1 1 A 7 7 VAL N N 7 121.599 126.196 -4.597 1
1 34 . 18 1 1 A 9 9 ASP H H 9 8.358 9.103 -0.745 1
1 35 . 18 1 1 A 9 9 ASP HA H 9 4.568 4.350 0.218 1
1 38 . 18 1 1 A 9 9 ASP N N 9 120.191 123.911 -3.720 1
1 91 . 18 1 1 A 16 16 VAL H H 16 8.199 8.481 -0.282 1
1 92 . 18 1 1 A 16 16 VAL HA H 16 4.079 4.185 -0.106 1
1 100 . 18 1 1 A 16 16 VAL N N 16 121.212 119.095 2.117 1
1 101 . 18 1 1 A 17 17 MET H H 17 8.406 7.610 0.796 1
1 102 . 18 1 1 A 17 17 MET HA H 17 4.519 4.882 -0.363 1
1 107 . 18 1 1 A 17 17 MET N N 17 124.123 115.315 8.808 1
1 108 . 18 1 1 A 18 18 VAL H H 18 8.172 8.771 -0.599 1
1 109 . 18 1 1 A 18 18 VAL HA H 18 4.091 4.986 -0.895 1
1 117 . 18 1 1 A 18 18 VAL N N 18 122.154 117.028 5.126 1
1 118 . 18 1 1 A 19 19 LYS H H 19 8.454 9.049 -0.595 1
1 119 . 18 1 1 A 19 19 LYS HA H 19 4.412 4.937 -0.525 1
1 124 . 18 1 1 A 19 19 LYS N N 19 125.694 126.826 -1.132 1
1 125 . 18 1 1 A 20 20 VAL H H 20 8.293 8.993 -0.700 1
1 126 . 18 1 1 A 20 20 VAL HA H 20 4.105 4.253 -0.148 1
1 134 . 18 1 1 A 20 20 VAL N N 20 122.063 123.933 -1.870 1
1 135 . 18 1 1 A 21 21 GLY H H 21 8.519 8.688 -0.169 1
1 138 . 18 1 1 A 21 21 GLY N N 21 112.272 122.039 -9.767 1
1 139 . 18 1 1 A 22 22 ASP H H 22 8.319 7.454 0.865 1
1 140 . 18 1 1 A 22 22 ASP HA H 22 4.627 4.227 0.400 1
1 143 . 18 1 1 A 22 22 ASP N N 22 120.284 121.555 -1.271 1
1 144 . 18 1 1 A 24 24 VAL H H 24 8.141 8.494 -0.353 1
1 145 . 18 1 1 A 24 24 VAL HA H 24 4.077 4.095 -0.018 1
1 153 . 18 1 1 A 24 24 VAL N N 24 121.156 120.183 0.973 1
1 154 . 18 1 1 A 25 25 ALA H H 25 8.376 7.333 1.043 1
1 159 . 18 1 1 A 25 25 ALA N N 25 127.378 109.125 18.253 1
1 160 . 18 1 1 A 26 26 ALA H H 26 8.260 9.092 -0.832 1
1 161 . 18 1 1 A 26 26 ALA HA H 26 4.302 5.300 -0.998 1
1 165 . 18 1 1 A 26 26 ALA N N 26 123.214 123.857 -0.643 1
1 166 . 18 1 1 A 27 27 GLU H H 27 8.387 8.998 -0.611 1
1 167 . 18 1 1 A 27 27 GLU HA H 27 4.253 4.723 -0.470 1
1 172 . 18 1 1 A 27 27 GLU N N 27 119.491 123.081 -3.590 1
1 173 . 18 1 1 A 28 28 GLN H H 28 8.359 8.602 -0.243 1
1 174 . 18 1 1 A 28 28 GLN HA H 28 4.343 4.189 0.154 1
1 179 . 18 1 1 A 28 28 GLN N N 28 120.668 120.405 0.263 1
1 180 . 18 1 1 A 29 29 SER H H 29 8.338 8.668 -0.330 1
1 181 . 18 1 1 A 29 29 SER HA H 29 4.444 4.435 0.009 1
1 184 . 18 1 1 A 29 29 SER N N 29 116.599 131.119 -14.520 1
1 185 . 18 1 1 A 30 30 LEU H H 30 8.242 8.499 -0.257 1
1 186 . 18 1 1 A 30 30 LEU HA H 30 4.407 4.454 -0.047 1
1 195 . 18 1 1 A 30 30 LEU N N 30 123.757 126.451 -2.694 1
1 196 . 18 1 1 A 31 31 ILE H H 31 8.099 7.433 0.666 1
1 197 . 18 1 1 A 31 31 ILE HA H 31 4.264 4.383 -0.119 1
1 207 . 18 1 1 A 31 31 ILE N N 31 121.487 116.888 4.599 1
1 208 . 18 1 1 A 32 32 THR H H 32 8.295 8.783 -0.488 1
1 209 . 18 1 1 A 32 32 THR HA H 32 4.420 4.438 -0.018 1
1 214 . 18 1 1 A 32 32 THR N N 32 119.296 119.817 -0.521 1
1 215 . 18 1 1 A 33 33 VAL H H 33 8.291 7.865 0.426 1
1 216 . 18 1 1 A 33 33 VAL HA H 33 4.188 4.394 -0.206 1
1 224 . 18 1 1 A 33 33 VAL N N 33 122.829 114.643 8.186 1
1 225 . 18 1 1 A 34 34 GLU H H 34 8.548 8.979 -0.431 1
1 226 . 18 1 1 A 34 34 GLU HA H 34 4.316 4.354 -0.038 1
1 231 . 18 1 1 A 34 34 GLU N N 34 124.786 126.737 -1.951 1
1 232 . 18 1 1 A 35 35 GLY H H 35 8.460 7.623 0.837 1
1 235 . 18 1 1 A 35 35 GLY N N 35 110.109 115.976 -5.867 1
1 236 . 18 1 1 A 36 36 ASP H H 36 8.210 8.912 -0.702 1
1 237 . 18 1 1 A 36 36 ASP HA H 36 4.603 5.158 -0.555 1
1 240 . 18 1 1 A 36 36 ASP N N 36 120.341 116.907 3.434 1
1 241 . 18 1 1 A 37 37 LYS H H 37 8.282 8.874 -0.592 1
1 242 . 18 1 1 A 37 37 LYS HA H 37 4.347 4.941 -0.594 1
1 247 . 18 1 1 A 37 37 LYS N N 37 121.069 120.941 0.128 1
1 248 . 18 1 1 A 38 38 ALA H H 38 8.506 8.815 -0.309 1
1 249 . 18 1 1 A 38 38 ALA HA H 38 4.556 4.914 -0.358 1
1 253 . 18 1 1 A 38 38 ALA N N 38 124.365 126.865 -2.500 1
1 254 . 18 1 1 A 39 39 SER H H 39 8.313 8.470 -0.157 1
1 258 . 18 1 1 A 39 39 SER N N 39 114.897 110.827 4.070 1
1 259 . 18 1 1 A 40 40 MET H H 40 9.298 7.929 1.369 1
1 260 . 18 1 1 A 40 40 MET HA H 40 4.811 4.914 -0.103 1
1 268 . 18 1 1 A 40 40 MET N N 40 121.658 121.994 -0.336 1
1 269 . 18 1 1 A 41 41 GLU H H 41 8.724 8.967 -0.243 1
1 270 . 18 1 1 A 41 41 GLU HA H 41 4.150 4.558 -0.408 1
1 275 . 18 1 1 A 41 41 GLU N N 41 123.119 126.722 -3.603 1
1 276 . 18 1 1 A 42 42 VAL H H 42 8.274 8.326 -0.052 1
1 277 . 18 1 1 A 42 42 VAL HA H 42 4.350 4.350 0.000 1
1 285 . 18 1 1 A 42 42 VAL N N 42 121.303 123.443 -2.140 1
1 286 . 18 1 1 A 43 43 PRO HA H 43 5.103 4.413 0.690 1
1 291 . 18 1 1 A 44 44 ALA H H 44 9.279 8.827 0.452 1
1 292 . 18 1 1 A 44 44 ALA HA H 44 4.286 4.953 -0.667 1
1 296 . 18 1 1 A 44 44 ALA N N 44 122.132 122.635 -0.503 1
1 297 . 18 1 1 A 45 45 PRO HA H 45 4.429 4.379 0.050 1
1 304 . 18 1 1 A 46 46 PHE H H 46 7.058 8.879 -1.821 1
1 305 . 18 1 1 A 46 46 PHE HA H 46 4.931 4.852 0.079 1
1 313 . 18 1 1 A 46 46 PHE N N 46 113.563 115.809 -2.246 1
1 315 . 18 1 1 A 47 47 ALA HA H 47 4.545 4.734 -0.189 1
1 319 . 18 1 1 A 47 47 ALA N N 47 118.533 138.830 -20.297 1
1 320 . 18 1 1 A 48 48 GLY H H 48 7.946 8.373 -0.427 1
1 323 . 18 1 1 A 48 48 GLY N N 48 104.283 123.127 -18.844 1
1 325 . 18 1 1 A 49 49 VAL HA H 49 4.758 4.510 0.248 1
1 333 . 18 1 1 A 49 49 VAL N N 49 119.387 135.869 -16.482 1
1 334 . 18 1 1 A 50 50 VAL H H 50 8.812 7.346 1.466 1
1 335 . 18 1 1 A 50 50 VAL HA H 50 3.672 5.020 -1.348 1
1 343 . 18 1 1 A 50 50 VAL N N 50 126.035 112.197 13.838 1
1 344 . 18 1 1 A 51 51 LYS H H 51 9.404 8.518 0.886 1
1 345 . 18 1 1 A 51 51 LYS HA H 51 4.617 3.966 0.651 1
1 348 . 18 1 1 A 51 51 LYS N N 51 132.567 123.604 8.963 1
1 349 . 18 1 1 A 52 52 GLU H H 52 7.835 8.086 -0.251 1
1 355 . 18 1 1 A 52 52 GLU N N 52 114.290 108.352 5.938 1
1 356 . 18 1 1 A 53 53 LEU H H 53 9.245 8.515 0.730 1
1 357 . 18 1 1 A 53 53 LEU HA H 53 4.671 4.801 -0.130 1
1 367 . 18 1 1 A 53 53 LEU N N 53 126.224 120.074 6.150 1
1 368 . 18 1 1 A 54 54 LYS H H 54 7.816 9.073 -1.257 1
1 369 . 18 1 1 A 54 54 LYS HA H 54 4.632 3.958 0.674 1
1 376 . 18 1 1 A 54 54 LYS N N 54 118.189 126.818 -8.629 1
1 377 . 18 1 1 A 55 55 VAL H H 55 7.145 9.000 -1.855 1
1 378 . 18 1 1 A 55 55 VAL HA H 55 4.740 4.310 0.430 1
1 386 . 18 1 1 A 55 55 VAL N N 55 108.573 129.703 -21.130 1
1 387 . 18 1 1 A 56 56 ASN H H 56 8.970 7.763 1.207 1
1 388 . 18 1 1 A 56 56 ASN HA H 56 5.003 4.705 0.298 1
1 393 . 18 1 1 A 56 56 ASN N N 56 118.276 118.316 -0.040 1
1 395 . 18 1 1 A 57 57 VAL H H 57 8.721 8.573 0.148 1
1 396 . 18 1 1 A 57 57 VAL HA H 57 3.277 4.300 -1.023 1
1 404 . 18 1 1 A 57 57 VAL N N 57 119.437 123.742 -4.305 1
1 405 . 18 1 1 A 58 58 GLY H H 58 9.282 8.355 0.927 1
1 408 . 18 1 1 A 58 58 GLY N N 58 116.296 118.812 -2.516 1
1 409 . 18 1 1 A 59 59 ASP H H 59 8.035 7.255 0.780 1
1 410 . 18 1 1 A 59 59 ASP HA H 59 4.600 4.831 -0.231 1
1 413 . 18 1 1 A 59 59 ASP N N 59 121.238 114.009 7.229 1
1 414 . 18 1 1 A 60 60 LYS H H 60 8.577 8.667 -0.090 1
1 415 . 18 1 1 A 60 60 LYS HA H 60 4.648 5.155 -0.507 1
1 424 . 18 1 1 A 60 60 LYS N N 60 121.491 120.936 0.555 1
1 425 . 18 1 1 A 61 61 VAL H H 61 8.939 8.526 0.413 1
1 426 . 18 1 1 A 61 61 VAL HA H 61 4.461 3.422 1.039 1
1 434 . 18 1 1 A 61 61 VAL N N 61 121.545 122.440 -0.895 1
1 435 . 18 1 1 A 62 62 LYS H H 62 8.182 8.902 -0.720 1
1 443 . 18 1 1 A 62 62 LYS N N 62 122.901 115.346 7.555 1
1 444 . 18 1 1 A 63 63 THR H H 63 8.399 7.689 0.710 1
1 445 . 18 1 1 A 63 63 THR HA H 63 3.932 4.746 -0.814 1
1 450 . 18 1 1 A 63 63 THR N N 63 118.278 120.878 -2.600 1
1 451 . 18 1 1 A 64 64 GLY H H 64 9.075 8.429 0.646 1
1 454 . 18 1 1 A 64 64 GLY N N 64 115.336 123.949 -8.613 1
1 455 . 18 1 1 A 65 65 SER H H 65 8.207 8.488 -0.281 1
1 456 . 18 1 1 A 65 65 SER HA H 65 4.339 4.892 -0.553 1
1 459 . 18 1 1 A 65 65 SER N N 65 117.597 122.146 -4.549 1
1 460 . 18 1 1 A 66 66 LEU H H 66 8.666 8.634 0.032 1
1 461 . 18 1 1 A 66 66 LEU HA H 66 4.213 4.875 -0.662 1
1 471 . 18 1 1 A 66 66 LEU N N 66 124.519 124.897 -0.378 1
1 472 . 18 1 1 A 67 67 ILE H H 67 8.663 8.676 -0.013 1
1 473 . 18 1 1 A 67 67 ILE HA H 67 4.853 3.835 1.018 1
1 483 . 18 1 1 A 67 67 ILE N N 67 115.104 118.094 -2.990 1
1 484 . 18 1 1 A 68 68 MET H H 68 7.736 8.876 -1.140 1
1 490 . 18 1 1 A 68 68 MET N N 68 118.031 115.301 2.730 1
1 491 . 18 1 1 A 69 69 ILE H H 69 8.735 7.601 1.134 1
1 492 . 18 1 1 A 69 69 ILE HA H 69 4.853 4.683 0.170 1
1 502 . 18 1 1 A 69 69 ILE N N 69 118.189 117.289 0.900 1
1 503 . 18 1 1 A 70 70 PHE H H 70 9.447 8.771 0.676 1
1 504 . 18 1 1 A 70 70 PHE HA H 70 5.895 4.747 1.148 1
1 512 . 18 1 1 A 70 70 PHE N N 70 127.483 123.013 4.470 1
1 513 . 18 1 1 A 71 71 GLU H H 71 9.633 8.827 0.806 1
1 514 . 18 1 1 A 71 71 GLU HA H 71 5.109 4.385 0.724 1
1 519 . 18 1 1 A 71 71 GLU N N 71 121.073 117.920 3.153 1
1 520 . 18 1 1 A 72 72 VAL H H 72 8.756 7.676 1.080 1
1 521 . 18 1 1 A 72 72 VAL HA H 72 4.669 4.896 -0.227 1
1 529 . 18 1 1 A 72 72 VAL N N 72 121.923 119.692 2.231 1
1 530 . 18 1 1 A 73 73 GLU H H 73 8.495 8.366 0.129 1
1 531 . 18 1 1 A 73 73 GLU HA H 73 4.374 4.797 -0.423 1
1 536 . 18 1 1 A 73 73 GLU N N 73 122.566 120.764 1.802 1
1 537 . 18 1 1 A 74 74 GLY H H 74 8.462 9.019 -0.557 1
1 540 . 18 1 1 A 74 74 GLY N N 74 110.596 126.371 -15.775 1
1 541 . 18 1 1 A 75 75 ALA H H 75 8.168 8.984 -0.816 1
1 542 . 18 1 1 A 75 75 ALA HA H 75 4.320 5.012 -0.692 1
1 546 . 18 1 1 A 75 75 ALA N N 75 123.148 121.350 1.798 1
1 547 . 18 1 1 A 83 83 LYS H H 83 8.334 8.520 -0.186 1
1 548 . 18 1 1 A 83 83 LYS HA H 83 4.318 4.650 -0.332 1
1 553 . 18 1 1 A 83 83 LYS N N 83 120.883 120.778 0.105 1
1 554 . 18 1 1 A 84 84 GLN H H 84 8.533 7.672 0.861 1
1 555 . 18 1 1 A 84 84 GLN HA H 84 4.381 4.766 -0.385 1
1 560 . 18 1 1 A 84 84 GLN N N 84 123.135 121.223 1.912 1
1 562 . 18 1 1 A 85 85 GLU HA H 85 4.161 4.337 -0.176 1
1 1 . 19 1 1 A 4 4 GLU H H 4 8.653 8.198 0.455 1
1 2 . 19 1 1 A 4 4 GLU HA H 4 4.327 4.446 -0.119 1
1 7 . 19 1 1 A 4 4 GLU N N 4 123.651 118.110 5.541 1
1 8 . 19 1 1 A 5 5 VAL H H 5 8.248 7.611 0.637 1
1 9 . 19 1 1 A 5 5 VAL HA H 5 4.140 4.258 -0.118 1
1 17 . 19 1 1 A 5 5 VAL N N 5 120.477 121.396 -0.919 1
1 18 . 19 1 1 A 6 6 ASN H H 6 8.569 8.778 -0.209 1
1 19 . 19 1 1 A 6 6 ASN HA H 6 4.757 5.102 -0.345 1
1 22 . 19 1 1 A 6 6 ASN N N 6 121.940 119.263 2.677 1
1 23 . 19 1 1 A 7 7 VAL H H 7 8.105 7.410 0.695 1
1 24 . 19 1 1 A 7 7 VAL HA H 7 4.449 4.839 -0.390 1
1 32 . 19 1 1 A 7 7 VAL N N 7 121.599 114.499 7.100 1
1 34 . 19 1 1 A 9 9 ASP H H 9 8.358 8.731 -0.373 1
1 35 . 19 1 1 A 9 9 ASP HA H 9 4.568 4.971 -0.403 1
1 38 . 19 1 1 A 9 9 ASP N N 9 120.191 122.168 -1.977 1
1 91 . 19 1 1 A 16 16 VAL H H 16 8.199 8.034 0.165 1
1 92 . 19 1 1 A 16 16 VAL HA H 16 4.079 4.229 -0.150 1
1 100 . 19 1 1 A 16 16 VAL N N 16 121.212 117.290 3.922 1
1 101 . 19 1 1 A 17 17 MET H H 17 8.406 8.379 0.027 1
1 102 . 19 1 1 A 17 17 MET HA H 17 4.519 4.093 0.426 1
1 107 . 19 1 1 A 17 17 MET N N 17 124.123 123.803 0.320 1
1 108 . 19 1 1 A 18 18 VAL H H 18 8.172 8.804 -0.632 1
1 109 . 19 1 1 A 18 18 VAL HA H 18 4.091 4.681 -0.590 1
1 117 . 19 1 1 A 18 18 VAL N N 18 122.154 119.705 2.449 1
1 118 . 19 1 1 A 19 19 LYS H H 19 8.454 7.984 0.470 1
1 119 . 19 1 1 A 19 19 LYS HA H 19 4.412 4.013 0.399 1
1 124 . 19 1 1 A 19 19 LYS N N 19 125.694 116.500 9.194 1
1 125 . 19 1 1 A 20 20 VAL H H 20 8.293 8.209 0.084 1
1 126 . 19 1 1 A 20 20 VAL HA H 20 4.105 4.162 -0.057 1
1 134 . 19 1 1 A 20 20 VAL N N 20 122.063 120.108 1.955 1
1 135 . 19 1 1 A 21 21 GLY H H 21 8.519 7.813 0.706 1
1 138 . 19 1 1 A 21 21 GLY N N 21 112.272 121.155 -8.883 1
1 139 . 19 1 1 A 22 22 ASP H H 22 8.319 8.914 -0.595 1
1 140 . 19 1 1 A 22 22 ASP HA H 22 4.627 4.837 -0.210 1
1 143 . 19 1 1 A 22 22 ASP N N 22 120.284 123.416 -3.132 1
1 144 . 19 1 1 A 24 24 VAL H H 24 8.141 7.976 0.165 1
1 145 . 19 1 1 A 24 24 VAL HA H 24 4.077 4.228 -0.151 1
1 153 . 19 1 1 A 24 24 VAL N N 24 121.156 116.332 4.824 1
1 154 . 19 1 1 A 25 25 ALA H H 25 8.376 8.531 -0.155 1
1 159 . 19 1 1 A 25 25 ALA N N 25 127.378 112.225 15.153 1
1 160 . 19 1 1 A 26 26 ALA H H 26 8.260 8.556 -0.296 1
1 161 . 19 1 1 A 26 26 ALA HA H 26 4.302 5.480 -1.178 1
1 165 . 19 1 1 A 26 26 ALA N N 26 123.214 123.065 0.149 1
1 166 . 19 1 1 A 27 27 GLU H H 27 8.387 8.757 -0.370 1
1 167 . 19 1 1 A 27 27 GLU HA H 27 4.253 4.693 -0.440 1
1 172 . 19 1 1 A 27 27 GLU N N 27 119.491 122.852 -3.361 1
1 173 . 19 1 1 A 28 28 GLN H H 28 8.359 8.629 -0.270 1
1 174 . 19 1 1 A 28 28 GLN HA H 28 4.343 3.652 0.691 1
1 179 . 19 1 1 A 28 28 GLN N N 28 120.668 119.991 0.677 1
1 180 . 19 1 1 A 29 29 SER H H 29 8.338 7.724 0.614 1
1 181 . 19 1 1 A 29 29 SER HA H 29 4.444 4.543 -0.099 1
1 184 . 19 1 1 A 29 29 SER N N 29 116.599 123.372 -6.773 1
1 185 . 19 1 1 A 30 30 LEU H H 30 8.242 8.579 -0.337 1
1 186 . 19 1 1 A 30 30 LEU HA H 30 4.407 3.971 0.436 1
1 195 . 19 1 1 A 30 30 LEU N N 30 123.757 119.045 4.712 1
1 196 . 19 1 1 A 31 31 ILE H H 31 8.099 7.660 0.439 1
1 197 . 19 1 1 A 31 31 ILE HA H 31 4.264 4.748 -0.484 1
1 207 . 19 1 1 A 31 31 ILE N N 31 121.487 117.110 4.377 1
1 208 . 19 1 1 A 32 32 THR H H 32 8.295 8.786 -0.491 1
1 209 . 19 1 1 A 32 32 THR HA H 32 4.420 4.569 -0.149 1
1 214 . 19 1 1 A 32 32 THR N N 32 119.296 124.105 -4.809 1
1 215 . 19 1 1 A 33 33 VAL H H 33 8.291 8.124 0.167 1
1 216 . 19 1 1 A 33 33 VAL HA H 33 4.188 4.200 -0.012 1
1 224 . 19 1 1 A 33 33 VAL N N 33 122.829 114.881 7.948 1
1 225 . 19 1 1 A 34 34 GLU H H 34 8.548 8.118 0.430 1
1 226 . 19 1 1 A 34 34 GLU HA H 34 4.316 4.571 -0.255 1
1 231 . 19 1 1 A 34 34 GLU N N 34 124.786 123.623 1.163 1
1 232 . 19 1 1 A 35 35 GLY H H 35 8.460 7.433 1.027 1
1 235 . 19 1 1 A 35 35 GLY N N 35 110.109 119.028 -8.919 1
1 236 . 19 1 1 A 36 36 ASP H H 36 8.210 8.432 -0.222 1
1 237 . 19 1 1 A 36 36 ASP HA H 36 4.603 5.127 -0.524 1
1 240 . 19 1 1 A 36 36 ASP N N 36 120.341 115.680 4.661 1
1 241 . 19 1 1 A 37 37 LYS H H 37 8.282 8.607 -0.325 1
1 242 . 19 1 1 A 37 37 LYS HA H 37 4.347 4.020 0.327 1
1 247 . 19 1 1 A 37 37 LYS N N 37 121.069 122.559 -1.490 1
1 248 . 19 1 1 A 38 38 ALA H H 38 8.506 8.168 0.338 1
1 249 . 19 1 1 A 38 38 ALA HA H 38 4.556 4.502 0.054 1
1 253 . 19 1 1 A 38 38 ALA N N 38 124.365 116.906 7.459 1
1 254 . 19 1 1 A 39 39 SER H H 39 8.313 8.168 0.145 1
1 258 . 19 1 1 A 39 39 SER N N 39 114.897 107.691 7.206 1
1 259 . 19 1 1 A 40 40 MET H H 40 9.298 8.028 1.270 1
1 260 . 19 1 1 A 40 40 MET HA H 40 4.811 4.669 0.142 1
1 268 . 19 1 1 A 40 40 MET N N 40 121.658 122.315 -0.657 1
1 269 . 19 1 1 A 41 41 GLU H H 41 8.724 8.935 -0.211 1
1 270 . 19 1 1 A 41 41 GLU HA H 41 4.150 4.022 0.128 1
1 275 . 19 1 1 A 41 41 GLU N N 41 123.119 122.679 0.440 1
1 276 . 19 1 1 A 42 42 VAL H H 42 8.274 8.399 -0.125 1
1 277 . 19 1 1 A 42 42 VAL HA H 42 4.350 4.520 -0.170 1
1 285 . 19 1 1 A 42 42 VAL N N 42 121.303 129.231 -7.928 1
1 286 . 19 1 1 A 43 43 PRO HA H 43 5.103 4.373 0.730 1
1 291 . 19 1 1 A 44 44 ALA H H 44 9.279 8.734 0.545 1
1 292 . 19 1 1 A 44 44 ALA HA H 44 4.286 4.829 -0.543 1
1 296 . 19 1 1 A 44 44 ALA N N 44 122.132 122.016 0.116 1
1 297 . 19 1 1 A 45 45 PRO HA H 45 4.429 4.461 -0.032 1
1 304 . 19 1 1 A 46 46 PHE H H 46 7.058 8.467 -1.409 1
1 305 . 19 1 1 A 46 46 PHE HA H 46 4.931 4.554 0.377 1
1 313 . 19 1 1 A 46 46 PHE N N 46 113.563 121.423 -7.860 1
1 315 . 19 1 1 A 47 47 ALA HA H 47 4.545 4.729 -0.184 1
1 319 . 19 1 1 A 47 47 ALA N N 47 118.533 138.568 -20.035 1
1 320 . 19 1 1 A 48 48 GLY H H 48 7.946 8.468 -0.522 1
1 323 . 19 1 1 A 48 48 GLY N N 48 104.283 122.834 -18.551 1
1 325 . 19 1 1 A 49 49 VAL HA H 49 4.758 4.470 0.288 1
1 333 . 19 1 1 A 49 49 VAL N N 49 119.387 136.299 -16.912 1
1 334 . 19 1 1 A 50 50 VAL H H 50 8.812 7.087 1.725 1
1 335 . 19 1 1 A 50 50 VAL HA H 50 3.672 4.991 -1.319 1
1 343 . 19 1 1 A 50 50 VAL N N 50 126.035 112.365 13.670 1
1 344 . 19 1 1 A 51 51 LYS H H 51 9.404 8.489 0.915 1
1 345 . 19 1 1 A 51 51 LYS HA H 51 4.617 4.047 0.570 1
1 348 . 19 1 1 A 51 51 LYS N N 51 132.567 122.565 10.002 1
1 349 . 19 1 1 A 52 52 GLU H H 52 7.835 8.108 -0.273 1
1 355 . 19 1 1 A 52 52 GLU N N 52 114.290 106.562 7.728 1
1 356 . 19 1 1 A 53 53 LEU H H 53 9.245 8.450 0.795 1
1 357 . 19 1 1 A 53 53 LEU HA H 53 4.671 4.924 -0.253 1
1 367 . 19 1 1 A 53 53 LEU N N 53 126.224 120.172 6.052 1
1 368 . 19 1 1 A 54 54 LYS H H 54 7.816 9.140 -1.324 1
1 369 . 19 1 1 A 54 54 LYS HA H 54 4.632 3.943 0.689 1
1 376 . 19 1 1 A 54 54 LYS N N 54 118.189 126.958 -8.769 1
1 377 . 19 1 1 A 55 55 VAL H H 55 7.145 9.053 -1.908 1
1 378 . 19 1 1 A 55 55 VAL HA H 55 4.740 4.413 0.327 1
1 386 . 19 1 1 A 55 55 VAL N N 55 108.573 129.955 -21.382 1
1 387 . 19 1 1 A 56 56 ASN H H 56 8.970 7.622 1.348 1
1 388 . 19 1 1 A 56 56 ASN HA H 56 5.003 4.661 0.342 1
1 393 . 19 1 1 A 56 56 ASN N N 56 118.276 118.247 0.029 1
1 395 . 19 1 1 A 57 57 VAL H H 57 8.721 8.493 0.228 1
1 396 . 19 1 1 A 57 57 VAL HA H 57 3.277 4.392 -1.115 1
1 404 . 19 1 1 A 57 57 VAL N N 57 119.437 122.347 -2.910 1
1 405 . 19 1 1 A 58 58 GLY H H 58 9.282 8.871 0.411 1
1 408 . 19 1 1 A 58 58 GLY N N 58 116.296 119.418 -3.122 1
1 409 . 19 1 1 A 59 59 ASP H H 59 8.035 7.296 0.739 1
1 410 . 19 1 1 A 59 59 ASP HA H 59 4.600 4.785 -0.185 1
1 413 . 19 1 1 A 59 59 ASP N N 59 121.238 115.905 5.333 1
1 414 . 19 1 1 A 60 60 LYS H H 60 8.577 8.595 -0.018 1
1 415 . 19 1 1 A 60 60 LYS HA H 60 4.648 5.027 -0.379 1
1 424 . 19 1 1 A 60 60 LYS N N 60 121.491 121.699 -0.208 1
1 425 . 19 1 1 A 61 61 VAL H H 61 8.939 8.505 0.434 1
1 426 . 19 1 1 A 61 61 VAL HA H 61 4.461 3.456 1.005 1
1 434 . 19 1 1 A 61 61 VAL N N 61 121.545 122.020 -0.475 1
1 435 . 19 1 1 A 62 62 LYS H H 62 8.182 8.864 -0.682 1
1 443 . 19 1 1 A 62 62 LYS N N 62 122.901 115.327 7.574 1
1 444 . 19 1 1 A 63 63 THR H H 63 8.399 7.844 0.555 1
1 445 . 19 1 1 A 63 63 THR HA H 63 3.932 4.659 -0.727 1
1 450 . 19 1 1 A 63 63 THR N N 63 118.278 121.180 -2.902 1
1 451 . 19 1 1 A 64 64 GLY H H 64 9.075 8.411 0.664 1
1 454 . 19 1 1 A 64 64 GLY N N 64 115.336 123.863 -8.527 1
1 455 . 19 1 1 A 65 65 SER H H 65 8.207 8.380 -0.173 1
1 456 . 19 1 1 A 65 65 SER HA H 65 4.339 4.983 -0.644 1
1 459 . 19 1 1 A 65 65 SER N N 65 117.597 120.117 -2.520 1
1 460 . 19 1 1 A 66 66 LEU H H 66 8.666 8.605 0.061 1
1 461 . 19 1 1 A 66 66 LEU HA H 66 4.213 4.864 -0.651 1
1 471 . 19 1 1 A 66 66 LEU N N 66 124.519 125.268 -0.749 1
1 472 . 19 1 1 A 67 67 ILE H H 67 8.663 8.697 -0.034 1
1 473 . 19 1 1 A 67 67 ILE HA H 67 4.853 3.837 1.016 1
1 483 . 19 1 1 A 67 67 ILE N N 67 115.104 118.300 -3.196 1
1 484 . 19 1 1 A 68 68 MET H H 68 7.736 8.875 -1.139 1
1 490 . 19 1 1 A 68 68 MET N N 68 118.031 115.321 2.710 1
1 491 . 19 1 1 A 69 69 ILE H H 69 8.735 7.620 1.115 1
1 492 . 19 1 1 A 69 69 ILE HA H 69 4.853 4.762 0.091 1
1 502 . 19 1 1 A 69 69 ILE N N 69 118.189 117.275 0.914 1
1 503 . 19 1 1 A 70 70 PHE H H 70 9.447 8.736 0.711 1
1 504 . 19 1 1 A 70 70 PHE HA H 70 5.895 4.851 1.044 1
1 512 . 19 1 1 A 70 70 PHE N N 70 127.483 123.024 4.459 1
1 513 . 19 1 1 A 71 71 GLU H H 71 9.633 8.777 0.856 1
1 514 . 19 1 1 A 71 71 GLU HA H 71 5.109 4.456 0.653 1
1 519 . 19 1 1 A 71 71 GLU N N 71 121.073 117.596 3.477 1
1 520 . 19 1 1 A 72 72 VAL H H 72 8.756 7.683 1.073 1
1 521 . 19 1 1 A 72 72 VAL HA H 72 4.669 4.529 0.140 1
1 529 . 19 1 1 A 72 72 VAL N N 72 121.923 119.302 2.621 1
1 530 . 19 1 1 A 73 73 GLU H H 73 8.495 8.253 0.242 1
1 531 . 19 1 1 A 73 73 GLU HA H 73 4.374 4.828 -0.454 1
1 536 . 19 1 1 A 73 73 GLU N N 73 122.566 122.770 -0.204 1
1 537 . 19 1 1 A 74 74 GLY H H 74 8.462 9.025 -0.563 1
1 540 . 19 1 1 A 74 74 GLY N N 74 110.596 126.243 -15.647 1
1 541 . 19 1 1 A 75 75 ALA H H 75 8.168 9.085 -0.917 1
1 542 . 19 1 1 A 75 75 ALA HA H 75 4.320 5.035 -0.715 1
1 546 . 19 1 1 A 75 75 ALA N N 75 123.148 122.324 0.824 1
1 547 . 19 1 1 A 83 83 LYS H H 83 8.334 8.957 -0.623 1
1 548 . 19 1 1 A 83 83 LYS HA H 83 4.318 4.495 -0.177 1
1 553 . 19 1 1 A 83 83 LYS N N 83 120.883 122.840 -1.957 1
1 554 . 19 1 1 A 84 84 GLN H H 84 8.533 7.699 0.834 1
1 555 . 19 1 1 A 84 84 GLN HA H 84 4.381 4.645 -0.264 1
1 560 . 19 1 1 A 84 84 GLN N N 84 123.135 116.582 6.553 1
1 562 . 19 1 1 A 85 85 GLU HA H 85 4.161 4.662 -0.501 1
1 1 . 20 1 1 A 4 4 GLU H H 4 8.653 8.667 -0.014 1
1 2 . 20 1 1 A 4 4 GLU HA H 4 4.327 4.113 0.214 1
1 7 . 20 1 1 A 4 4 GLU N N 4 123.651 118.374 5.277 1
1 8 . 20 1 1 A 5 5 VAL H H 5 8.248 8.643 -0.395 1
1 9 . 20 1 1 A 5 5 VAL HA H 5 4.140 4.671 -0.531 1
1 17 . 20 1 1 A 5 5 VAL N N 5 120.477 121.684 -1.207 1
1 18 . 20 1 1 A 6 6 ASN H H 6 8.569 8.703 -0.134 1
1 19 . 20 1 1 A 6 6 ASN HA H 6 4.757 5.115 -0.358 1
1 22 . 20 1 1 A 6 6 ASN N N 6 121.940 119.016 2.924 1
1 23 . 20 1 1 A 7 7 VAL H H 7 8.105 7.270 0.835 1
1 24 . 20 1 1 A 7 7 VAL HA H 7 4.449 4.286 0.163 1
1 32 . 20 1 1 A 7 7 VAL N N 7 121.599 117.264 4.335 1
1 34 . 20 1 1 A 9 9 ASP H H 9 8.358 8.810 -0.452 1
1 35 . 20 1 1 A 9 9 ASP HA H 9 4.568 4.347 0.221 1
1 38 . 20 1 1 A 9 9 ASP N N 9 120.191 116.153 4.038 1
1 91 . 20 1 1 A 16 16 VAL H H 16 8.199 8.563 -0.364 1
1 92 . 20 1 1 A 16 16 VAL HA H 16 4.079 4.567 -0.488 1
1 100 . 20 1 1 A 16 16 VAL N N 16 121.212 125.551 -4.339 1
1 101 . 20 1 1 A 17 17 MET H H 17 8.406 7.995 0.411 1
1 102 . 20 1 1 A 17 17 MET HA H 17 4.519 3.875 0.644 1
1 107 . 20 1 1 A 17 17 MET N N 17 124.123 116.974 7.149 1
1 108 . 20 1 1 A 18 18 VAL H H 18 8.172 8.226 -0.054 1
1 109 . 20 1 1 A 18 18 VAL HA H 18 4.091 4.951 -0.860 1
1 117 . 20 1 1 A 18 18 VAL N N 18 122.154 118.239 3.915 1
1 118 . 20 1 1 A 19 19 LYS H H 19 8.454 8.798 -0.344 1
1 119 . 20 1 1 A 19 19 LYS HA H 19 4.412 4.496 -0.084 1
1 124 . 20 1 1 A 19 19 LYS N N 19 125.694 120.885 4.809 1
1 125 . 20 1 1 A 20 20 VAL H H 20 8.293 8.654 -0.361 1
1 126 . 20 1 1 A 20 20 VAL HA H 20 4.105 4.101 0.004 1
1 134 . 20 1 1 A 20 20 VAL N N 20 122.063 122.051 0.012 1
1 135 . 20 1 1 A 21 21 GLY H H 21 8.519 7.619 0.900 1
1 138 . 20 1 1 A 21 21 GLY N N 21 112.272 122.165 -9.893 1
1 139 . 20 1 1 A 22 22 ASP H H 22 8.319 8.778 -0.459 1
1 140 . 20 1 1 A 22 22 ASP HA H 22 4.627 4.749 -0.122 1
1 143 . 20 1 1 A 22 22 ASP N N 22 120.284 120.473 -0.189 1
1 144 . 20 1 1 A 24 24 VAL H H 24 8.141 7.526 0.615 1
1 145 . 20 1 1 A 24 24 VAL HA H 24 4.077 4.893 -0.816 1
1 153 . 20 1 1 A 24 24 VAL N N 24 121.156 113.668 7.488 1
1 154 . 20 1 1 A 25 25 ALA H H 25 8.376 8.782 -0.406 1
1 159 . 20 1 1 A 25 25 ALA N N 25 127.378 110.428 16.950 1
1 160 . 20 1 1 A 26 26 ALA H H 26 8.260 8.750 -0.490 1
1 161 . 20 1 1 A 26 26 ALA HA H 26 4.302 4.790 -0.488 1
1 165 . 20 1 1 A 26 26 ALA N N 26 123.214 123.678 -0.464 1
1 166 . 20 1 1 A 27 27 GLU H H 27 8.387 8.506 -0.119 1
1 167 . 20 1 1 A 27 27 GLU HA H 27 4.253 4.600 -0.347 1
1 172 . 20 1 1 A 27 27 GLU N N 27 119.491 122.090 -2.599 1
1 173 . 20 1 1 A 28 28 GLN H H 28 8.359 8.494 -0.135 1
1 174 . 20 1 1 A 28 28 GLN HA H 28 4.343 4.199 0.144 1
1 179 . 20 1 1 A 28 28 GLN N N 28 120.668 123.400 -2.732 1
1 180 . 20 1 1 A 29 29 SER H H 29 8.338 8.570 -0.232 1
1 181 . 20 1 1 A 29 29 SER HA H 29 4.444 3.962 0.482 1
1 184 . 20 1 1 A 29 29 SER N N 29 116.599 122.692 -6.093 1
1 185 . 20 1 1 A 30 30 LEU H H 30 8.242 8.342 -0.100 1
1 186 . 20 1 1 A 30 30 LEU HA H 30 4.407 4.468 -0.061 1
1 195 . 20 1 1 A 30 30 LEU N N 30 123.757 125.764 -2.007 1
1 196 . 20 1 1 A 31 31 ILE H H 31 8.099 7.943 0.156 1
1 197 . 20 1 1 A 31 31 ILE HA H 31 4.264 4.563 -0.299 1
1 207 . 20 1 1 A 31 31 ILE N N 31 121.487 115.311 6.176 1
1 208 . 20 1 1 A 32 32 THR H H 32 8.295 8.994 -0.699 1
1 209 . 20 1 1 A 32 32 THR HA H 32 4.420 4.655 -0.235 1
1 214 . 20 1 1 A 32 32 THR N N 32 119.296 122.725 -3.429 1
1 215 . 20 1 1 A 33 33 VAL H H 33 8.291 8.105 0.186 1
1 216 . 20 1 1 A 33 33 VAL HA H 33 4.188 4.699 -0.511 1
1 224 . 20 1 1 A 33 33 VAL N N 33 122.829 110.148 12.681 1
1 225 . 20 1 1 A 34 34 GLU H H 34 8.548 7.727 0.821 1
1 226 . 20 1 1 A 34 34 GLU HA H 34 4.316 4.665 -0.349 1
1 231 . 20 1 1 A 34 34 GLU N N 34 124.786 120.846 3.940 1
1 232 . 20 1 1 A 35 35 GLY H H 35 8.460 8.714 -0.254 1
1 235 . 20 1 1 A 35 35 GLY N N 35 110.109 120.700 -10.591 1
1 236 . 20 1 1 A 36 36 ASP H H 36 8.210 8.343 -0.133 1
1 237 . 20 1 1 A 36 36 ASP HA H 36 4.603 4.129 0.474 1
1 240 . 20 1 1 A 36 36 ASP N N 36 120.341 118.945 1.396 1
1 241 . 20 1 1 A 37 37 LYS H H 37 8.282 8.262 0.020 1
1 242 . 20 1 1 A 37 37 LYS HA H 37 4.347 4.627 -0.280 1
1 247 . 20 1 1 A 37 37 LYS N N 37 121.069 127.088 -6.019 1
1 248 . 20 1 1 A 38 38 ALA H H 38 8.506 8.801 -0.295 1
1 249 . 20 1 1 A 38 38 ALA HA H 38 4.556 4.550 0.006 1
1 253 . 20 1 1 A 38 38 ALA N N 38 124.365 128.801 -4.436 1
1 254 . 20 1 1 A 39 39 SER H H 39 8.313 7.374 0.939 1
1 258 . 20 1 1 A 39 39 SER N N 39 114.897 106.452 8.445 1
1 259 . 20 1 1 A 40 40 MET H H 40 9.298 8.404 0.894 1
1 260 . 20 1 1 A 40 40 MET HA H 40 4.811 4.722 0.089 1
1 268 . 20 1 1 A 40 40 MET N N 40 121.658 120.709 0.949 1
1 269 . 20 1 1 A 41 41 GLU H H 41 8.724 8.854 -0.130 1
1 270 . 20 1 1 A 41 41 GLU HA H 41 4.150 5.196 -1.046 1
1 275 . 20 1 1 A 41 41 GLU N N 41 123.119 120.042 3.077 1
1 276 . 20 1 1 A 42 42 VAL H H 42 8.274 8.542 -0.268 1
1 277 . 20 1 1 A 42 42 VAL HA H 42 4.350 5.088 -0.738 1
1 285 . 20 1 1 A 42 42 VAL N N 42 121.303 121.909 -0.606 1
1 286 . 20 1 1 A 43 43 PRO HA H 43 5.103 5.361 -0.258 1
1 291 . 20 1 1 A 44 44 ALA H H 44 9.279 8.785 0.494 1
1 292 . 20 1 1 A 44 44 ALA HA H 44 4.286 5.065 -0.779 1
1 296 . 20 1 1 A 44 44 ALA N N 44 122.132 124.498 -2.366 1
1 297 . 20 1 1 A 45 45 PRO HA H 45 4.429 4.489 -0.060 1
1 304 . 20 1 1 A 46 46 PHE H H 46 7.058 8.781 -1.723 1
1 305 . 20 1 1 A 46 46 PHE HA H 46 4.931 4.848 0.083 1
1 313 . 20 1 1 A 46 46 PHE N N 46 113.563 118.708 -5.145 1
1 315 . 20 1 1 A 47 47 ALA HA H 47 4.545 4.787 -0.242 1
1 319 . 20 1 1 A 47 47 ALA N N 47 118.533 138.944 -20.411 1
1 320 . 20 1 1 A 48 48 GLY H H 48 7.946 8.338 -0.392 1
1 323 . 20 1 1 A 48 48 GLY N N 48 104.283 123.496 -19.213 1
1 325 . 20 1 1 A 49 49 VAL HA H 49 4.758 4.479 0.279 1
1 333 . 20 1 1 A 49 49 VAL N N 49 119.387 135.295 -15.908 1
1 334 . 20 1 1 A 50 50 VAL H H 50 8.812 6.929 1.883 1
1 335 . 20 1 1 A 50 50 VAL HA H 50 3.672 5.031 -1.359 1
1 343 . 20 1 1 A 50 50 VAL N N 50 126.035 112.111 13.924 1
1 344 . 20 1 1 A 51 51 LYS H H 51 9.404 8.417 0.987 1
1 345 . 20 1 1 A 51 51 LYS HA H 51 4.617 4.134 0.483 1
1 348 . 20 1 1 A 51 51 LYS N N 51 132.567 122.875 9.692 1
1 349 . 20 1 1 A 52 52 GLU H H 52 7.835 8.018 -0.183 1
1 355 . 20 1 1 A 52 52 GLU N N 52 114.290 106.810 7.480 1
1 356 . 20 1 1 A 53 53 LEU H H 53 9.245 8.708 0.537 1
1 357 . 20 1 1 A 53 53 LEU HA H 53 4.671 4.694 -0.023 1
1 367 . 20 1 1 A 53 53 LEU N N 53 126.224 120.760 5.464 1
1 368 . 20 1 1 A 54 54 LYS H H 54 7.816 9.056 -1.240 1
1 369 . 20 1 1 A 54 54 LYS HA H 54 4.632 3.897 0.735 1
1 376 . 20 1 1 A 54 54 LYS N N 54 118.189 127.318 -9.129 1
1 377 . 20 1 1 A 55 55 VAL H H 55 7.145 8.539 -1.394 1
1 378 . 20 1 1 A 55 55 VAL HA H 55 4.740 4.493 0.247 1
1 386 . 20 1 1 A 55 55 VAL N N 55 108.573 126.979 -18.406 1
1 387 . 20 1 1 A 56 56 ASN H H 56 8.970 7.786 1.184 1
1 388 . 20 1 1 A 56 56 ASN HA H 56 5.003 4.702 0.301 1
1 393 . 20 1 1 A 56 56 ASN N N 56 118.276 117.985 0.291 1
1 395 . 20 1 1 A 57 57 VAL H H 57 8.721 8.441 0.280 1
1 396 . 20 1 1 A 57 57 VAL HA H 57 3.277 3.897 -0.620 1
1 404 . 20 1 1 A 57 57 VAL N N 57 119.437 124.719 -5.282 1
1 405 . 20 1 1 A 58 58 GLY H H 58 9.282 8.004 1.278 1
1 408 . 20 1 1 A 58 58 GLY N N 58 116.296 120.359 -4.063 1
1 409 . 20 1 1 A 59 59 ASP H H 59 8.035 7.768 0.267 1
1 410 . 20 1 1 A 59 59 ASP HA H 59 4.600 4.904 -0.304 1
1 413 . 20 1 1 A 59 59 ASP N N 59 121.238 114.427 6.811 1
1 414 . 20 1 1 A 60 60 LYS H H 60 8.577 8.488 0.089 1
1 415 . 20 1 1 A 60 60 LYS HA H 60 4.648 4.997 -0.349 1
1 424 . 20 1 1 A 60 60 LYS N N 60 121.491 120.712 0.779 1
1 425 . 20 1 1 A 61 61 VAL H H 61 8.939 8.483 0.456 1
1 426 . 20 1 1 A 61 61 VAL HA H 61 4.461 3.472 0.989 1
1 434 . 20 1 1 A 61 61 VAL N N 61 121.545 122.052 -0.507 1
1 435 . 20 1 1 A 62 62 LYS H H 62 8.182 8.841 -0.659 1
1 443 . 20 1 1 A 62 62 LYS N N 62 122.901 114.859 8.042 1
1 444 . 20 1 1 A 63 63 THR H H 63 8.399 7.552 0.847 1
1 445 . 20 1 1 A 63 63 THR HA H 63 3.932 4.898 -0.966 1
1 450 . 20 1 1 A 63 63 THR N N 63 118.278 120.991 -2.713 1
1 451 . 20 1 1 A 64 64 GLY H H 64 9.075 8.463 0.612 1
1 454 . 20 1 1 A 64 64 GLY N N 64 115.336 125.006 -9.670 1
1 455 . 20 1 1 A 65 65 SER H H 65 8.207 8.264 -0.057 1
1 456 . 20 1 1 A 65 65 SER HA H 65 4.339 4.951 -0.612 1
1 459 . 20 1 1 A 65 65 SER N N 65 117.597 119.958 -2.361 1
1 460 . 20 1 1 A 66 66 LEU H H 66 8.666 8.625 0.041 1
1 461 . 20 1 1 A 66 66 LEU HA H 66 4.213 4.886 -0.673 1
1 471 . 20 1 1 A 66 66 LEU N N 66 124.519 124.772 -0.253 1
1 472 . 20 1 1 A 67 67 ILE H H 67 8.663 8.581 0.082 1
1 473 . 20 1 1 A 67 67 ILE HA H 67 4.853 4.122 0.731 1
1 483 . 20 1 1 A 67 67 ILE N N 67 115.104 114.936 0.168 1
1 484 . 20 1 1 A 68 68 MET H H 68 7.736 8.924 -1.188 1
1 490 . 20 1 1 A 68 68 MET N N 68 118.031 114.757 3.274 1
1 491 . 20 1 1 A 69 69 ILE H H 69 8.735 7.816 0.919 1
1 492 . 20 1 1 A 69 69 ILE HA H 69 4.853 4.731 0.122 1
1 502 . 20 1 1 A 69 69 ILE N N 69 118.189 116.647 1.542 1
1 503 . 20 1 1 A 70 70 PHE H H 70 9.447 8.848 0.599 1
1 504 . 20 1 1 A 70 70 PHE HA H 70 5.895 4.301 1.594 1
1 512 . 20 1 1 A 70 70 PHE N N 70 127.483 127.053 0.430 1
1 513 . 20 1 1 A 71 71 GLU H H 71 9.633 8.744 0.889 1
1 514 . 20 1 1 A 71 71 GLU HA H 71 5.109 4.429 0.680 1
1 519 . 20 1 1 A 71 71 GLU N N 71 121.073 117.717 3.356 1
1 520 . 20 1 1 A 72 72 VAL H H 72 8.756 7.698 1.058 1
1 521 . 20 1 1 A 72 72 VAL HA H 72 4.669 4.890 -0.221 1
1 529 . 20 1 1 A 72 72 VAL N N 72 121.923 119.703 2.220 1
1 530 . 20 1 1 A 73 73 GLU H H 73 8.495 8.428 0.067 1
1 531 . 20 1 1 A 73 73 GLU HA H 73 4.374 4.763 -0.389 1
1 536 . 20 1 1 A 73 73 GLU N N 73 122.566 121.337 1.229 1
1 537 . 20 1 1 A 74 74 GLY H H 74 8.462 9.151 -0.689 1
1 540 . 20 1 1 A 74 74 GLY N N 74 110.596 125.402 -14.806 1
1 541 . 20 1 1 A 75 75 ALA H H 75 8.168 8.621 -0.453 1
1 542 . 20 1 1 A 75 75 ALA HA H 75 4.320 4.521 -0.201 1
1 546 . 20 1 1 A 75 75 ALA N N 75 123.148 124.342 -1.194 1
1 547 . 20 1 1 A 83 83 LYS H H 83 8.334 8.868 -0.534 1
1 548 . 20 1 1 A 83 83 LYS HA H 83 4.318 5.075 -0.757 1
1 553 . 20 1 1 A 83 83 LYS N N 83 120.883 125.216 -4.333 1
1 554 . 20 1 1 A 84 84 GLN H H 84 8.533 8.535 -0.002 1
1 555 . 20 1 1 A 84 84 GLN HA H 84 4.381 4.798 -0.417 1
1 560 . 20 1 1 A 84 84 GLN N N 84 123.135 125.823 -2.688 1
1 562 . 20 1 1 A 85 85 GLU HA H 85 4.161 4.534 -0.373 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 62 0.714 1
5 1 1 1 "RMS(OBS, PRED)" HA 56 0.519 1
6 1 1 1 "RMS(OBS, PRED)" N 64 7.590 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 62 0.731 1
11 1 2 1 "RMS(OBS, PRED)" HA 56 0.545 1
12 1 2 1 "RMS(OBS, PRED)" N 64 7.844 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 62 0.653 1
17 1 3 1 "RMS(OBS, PRED)" HA 56 0.555 1
18 1 3 1 "RMS(OBS, PRED)" N 64 7.638 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 62 0.692 1
23 1 4 1 "RMS(OBS, PRED)" HA 56 0.580 1
24 1 4 1 "RMS(OBS, PRED)" N 64 7.632 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 62 0.700 1
29 1 5 1 "RMS(OBS, PRED)" HA 56 0.550 1
30 1 5 1 "RMS(OBS, PRED)" N 64 7.769 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 62 0.719 1
35 1 6 1 "RMS(OBS, PRED)" HA 56 0.533 1
36 1 6 1 "RMS(OBS, PRED)" N 64 7.943 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 62 0.688 1
41 1 7 1 "RMS(OBS, PRED)" HA 56 0.560 1
42 1 7 1 "RMS(OBS, PRED)" N 64 7.360 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 62 0.718 1
47 1 8 1 "RMS(OBS, PRED)" HA 56 0.546 1
48 1 8 1 "RMS(OBS, PRED)" N 64 7.620 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 62 0.640 1
53 1 9 1 "RMS(OBS, PRED)" HA 56 0.574 1
54 1 9 1 "RMS(OBS, PRED)" N 64 7.403 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 62 0.687 1
59 1 10 1 "RMS(OBS, PRED)" HA 56 0.571 1
60 1 10 1 "RMS(OBS, PRED)" N 64 7.041 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 62 0.690 1
65 1 11 1 "RMS(OBS, PRED)" HA 56 0.609 1
66 1 11 1 "RMS(OBS, PRED)" N 64 7.337 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 62 0.689 1
71 1 12 1 "RMS(OBS, PRED)" HA 56 0.579 1
72 1 12 1 "RMS(OBS, PRED)" N 64 7.498 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 62 0.751 1
77 1 13 1 "RMS(OBS, PRED)" HA 56 0.547 1
78 1 13 1 "RMS(OBS, PRED)" N 64 7.467 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 62 0.707 1
83 1 14 1 "RMS(OBS, PRED)" HA 56 0.585 1
84 1 14 1 "RMS(OBS, PRED)" N 64 7.239 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 62 0.706 1
89 1 15 1 "RMS(OBS, PRED)" HA 56 0.562 1
90 1 15 1 "RMS(OBS, PRED)" N 64 7.683 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 62 0.742 1
95 1 16 1 "RMS(OBS, PRED)" HA 56 0.544 1
96 1 16 1 "RMS(OBS, PRED)" N 64 7.295 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 62 0.713 1
101 1 17 1 "RMS(OBS, PRED)" HA 56 0.581 1
102 1 17 1 "RMS(OBS, PRED)" N 64 7.690 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 62 0.749 1
107 1 18 1 "RMS(OBS, PRED)" HA 56 0.533 1
108 1 18 1 "RMS(OBS, PRED)" N 64 7.405 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 62 0.713 1
113 1 19 1 "RMS(OBS, PRED)" HA 56 0.533 1
114 1 19 1 "RMS(OBS, PRED)" N 64 7.515 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 62 0.687 1
119 1 20 1 "RMS(OBS, PRED)" HA 56 0.561 1
120 1 20 1 "RMS(OBS, PRED)" N 64 7.521 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 1 . 1 1 A 4 4 GLU H H 4 8.653 8.564 0.089 2
1 2 . 1 1 A 4 4 GLU HA H 4 4.327 4.517 -0.190 2
1 7 . 1 1 A 4 4 GLU N N 4 123.651 121.627 2.024 2
1 8 . 1 1 A 5 5 VAL H H 5 8.248 8.246 0.002 2
1 9 . 1 1 A 5 5 VAL HA H 5 4.140 4.355 -0.215 2
1 17 . 1 1 A 5 5 VAL N N 5 120.477 120.607 -0.130 2
1 18 . 1 1 A 6 6 ASN H H 6 8.569 8.492 0.077 2
1 19 . 1 1 A 6 6 ASN HA H 6 4.757 4.855 -0.098 2
1 22 . 1 1 A 6 6 ASN N N 6 121.940 120.635 1.305 2
1 23 . 1 1 A 7 7 VAL H H 7 8.105 8.069 0.036 2
1 24 . 1 1 A 7 7 VAL HA H 7 4.449 4.428 0.021 2
1 32 . 1 1 A 7 7 VAL N N 7 121.599 120.405 1.194 2
1 34 . 1 1 A 9 9 ASP H H 9 8.358 8.677 -0.319 2
1 35 . 1 1 A 9 9 ASP HA H 9 4.568 4.835 -0.267 2
1 38 . 1 1 A 9 9 ASP N N 9 120.191 120.345 -0.154 2
1 91 . 1 1 A 16 16 VAL H H 16 8.199 8.559 -0.360 2
1 92 . 1 1 A 16 16 VAL HA H 16 4.079 4.604 -0.525 2
1 100 . 1 1 A 16 16 VAL N N 16 121.212 123.992 -2.780 2
1 101 . 1 1 A 17 17 MET H H 17 8.406 8.350 0.056 2
1 102 . 1 1 A 17 17 MET HA H 17 4.519 4.479 0.040 2
1 107 . 1 1 A 17 17 MET N N 17 124.123 119.512 4.611 2
1 108 . 1 1 A 18 18 VAL H H 18 8.172 8.518 -0.346 2
1 109 . 1 1 A 18 18 VAL HA H 18 4.091 4.674 -0.583 2
1 117 . 1 1 A 18 18 VAL N N 18 122.154 117.797 4.357 2
1 118 . 1 1 A 19 19 LYS H H 19 8.454 8.503 -0.049 2
1 119 . 1 1 A 19 19 LYS HA H 19 4.412 4.464 -0.052 2
1 124 . 1 1 A 19 19 LYS N N 19 125.694 122.347 3.347 2
1 125 . 1 1 A 20 20 VAL H H 20 8.293 8.242 0.051 2
1 126 . 1 1 A 20 20 VAL HA H 20 4.105 4.176 -0.071 2
1 134 . 1 1 A 20 20 VAL N N 20 122.063 120.753 1.310 2
1 135 . 1 1 A 21 21 GLY H H 21 8.519 8.343 0.176 2
1 138 . 1 1 A 21 21 GLY N N 21 112.272 122.563 -10.291 2
1 139 . 1 1 A 22 22 ASP H H 22 8.319 8.294 0.025 2
1 140 . 1 1 A 22 22 ASP HA H 22 4.627 4.335 0.292 2
1 143 . 1 1 A 22 22 ASP N N 22 120.284 120.569 -0.285 2
1 144 . 1 1 A 24 24 VAL H H 24 8.141 8.265 -0.124 2
1 145 . 1 1 A 24 24 VAL HA H 24 4.077 4.250 -0.173 2
1 153 . 1 1 A 24 24 VAL N N 24 121.156 121.266 -0.110 2
1 154 . 1 1 A 25 25 ALA H H 25 8.376 8.152 0.224 2
1 159 . 1 1 A 25 25 ALA N N 25 127.378 111.076 16.302 2
1 160 . 1 1 A 26 26 ALA H H 26 8.260 8.467 -0.207 2
1 161 . 1 1 A 26 26 ALA HA H 26 4.302 4.989 -0.687 2
1 165 . 1 1 A 26 26 ALA N N 26 123.214 122.172 1.042 2
1 166 . 1 1 A 27 27 GLU H H 27 8.387 8.684 -0.297 2
1 167 . 1 1 A 27 27 GLU HA H 27 4.253 4.630 -0.377 2
1 172 . 1 1 A 27 27 GLU N N 27 119.491 123.742 -4.251 2
1 173 . 1 1 A 28 28 GLN H H 28 8.359 8.219 0.140 2
1 174 . 1 1 A 28 28 GLN HA H 28 4.343 4.180 0.163 2
1 179 . 1 1 A 28 28 GLN N N 28 120.668 120.444 0.224 2
1 180 . 1 1 A 29 29 SER H H 29 8.338 8.178 0.160 2
1 181 . 1 1 A 29 29 SER HA H 29 4.444 4.406 0.038 2
1 184 . 1 1 A 29 29 SER N N 29 116.599 125.448 -8.849 2
1 185 . 1 1 A 30 30 LEU H H 30 8.242 8.312 -0.070 2
1 186 . 1 1 A 30 30 LEU HA H 30 4.407 4.381 0.026 2
1 195 . 1 1 A 30 30 LEU N N 30 123.757 121.469 2.288 2
1 196 . 1 1 A 31 31 ILE H H 31 8.099 8.215 -0.116 2
1 197 . 1 1 A 31 31 ILE HA H 31 4.264 4.615 -0.351 2
1 207 . 1 1 A 31 31 ILE N N 31 121.487 118.182 3.305 2
1 208 . 1 1 A 32 32 THR H H 32 8.295 8.618 -0.323 2
1 209 . 1 1 A 32 32 THR HA H 32 4.420 4.467 -0.047 2
1 214 . 1 1 A 32 32 THR N N 32 119.296 121.573 -2.277 2
1 215 . 1 1 A 33 33 VAL H H 33 8.291 8.318 -0.027 2
1 216 . 1 1 A 33 33 VAL HA H 33 4.188 4.678 -0.490 2
1 224 . 1 1 A 33 33 VAL N N 33 122.829 115.965 6.864 2
1 225 . 1 1 A 34 34 GLU H H 34 8.548 8.511 0.037 2
1 226 . 1 1 A 34 34 GLU HA H 34 4.316 4.578 -0.262 2
1 231 . 1 1 A 34 34 GLU N N 34 124.786 124.365 0.421 2
1 232 . 1 1 A 35 35 GLY H H 35 8.460 8.165 0.296 2
1 235 . 1 1 A 35 35 GLY N N 35 110.109 120.379 -10.270 2
1 236 . 1 1 A 36 36 ASP H H 36 8.210 8.393 -0.183 2
1 237 . 1 1 A 36 36 ASP HA H 36 4.603 4.691 -0.088 2
1 240 . 1 1 A 36 36 ASP N N 36 120.341 118.100 2.241 2
1 241 . 1 1 A 37 37 LYS H H 37 8.282 8.434 -0.152 2
1 242 . 1 1 A 37 37 LYS HA H 37 4.347 4.419 -0.072 2
1 247 . 1 1 A 37 37 LYS N N 37 121.069 122.540 -1.471 2
1 248 . 1 1 A 38 38 ALA H H 38 8.506 8.706 -0.200 2
1 249 . 1 1 A 38 38 ALA HA H 38 4.556 4.634 -0.078 2
1 253 . 1 1 A 38 38 ALA N N 38 124.365 123.080 1.285 2
1 254 . 1 1 A 39 39 SER H H 39 8.313 8.167 0.146 2
1 258 . 1 1 A 39 39 SER N N 39 114.897 108.806 6.091 2
1 259 . 1 1 A 40 40 MET H H 40 9.298 8.338 0.960 2
1 260 . 1 1 A 40 40 MET HA H 40 4.811 5.013 -0.202 2
1 268 . 1 1 A 40 40 MET N N 40 121.658 121.331 0.327 2
1 269 . 1 1 A 41 41 GLU H H 41 8.724 8.798 -0.074 2
1 270 . 1 1 A 41 41 GLU HA H 41 4.150 4.440 -0.290 2
1 275 . 1 1 A 41 41 GLU N N 41 123.119 122.277 0.842 2
1 276 . 1 1 A 42 42 VAL H H 42 8.274 8.285 -0.011 2
1 277 . 1 1 A 42 42 VAL HA H 42 4.350 4.574 -0.224 2
1 285 . 1 1 A 42 42 VAL N N 42 121.303 123.366 -2.063 2
1 286 . 1 1 A 43 43 PRO HA H 43 5.103 4.623 0.479 2
1 291 . 1 1 A 44 44 ALA H H 44 9.279 8.734 0.545 2
1 292 . 1 1 A 44 44 ALA HA H 44 4.286 4.968 -0.681 2
1 296 . 1 1 A 44 44 ALA N N 44 122.132 123.978 -1.846 2
1 297 . 1 1 A 45 45 PRO HA H 45 4.429 4.484 -0.055 2
1 304 . 1 1 A 46 46 PHE H H 46 7.058 8.768 -1.710 2
1 305 . 1 1 A 46 46 PHE HA H 46 4.931 4.822 0.109 2
1 313 . 1 1 A 46 46 PHE N N 46 113.563 118.487 -4.924 2
1 315 . 1 1 A 47 47 ALA HA H 47 4.545 4.745 -0.200 2
1 319 . 1 1 A 47 47 ALA N N 47 118.533 138.554 -20.020 2
1 320 . 1 1 A 48 48 GLY H H 48 7.946 8.365 -0.419 2
1 323 . 1 1 A 48 48 GLY N N 48 104.283 123.275 -18.991 2
1 325 . 1 1 A 49 49 VAL HA H 49 4.758 4.501 0.257 2
1 333 . 1 1 A 49 49 VAL N N 49 119.387 135.135 -15.748 2
1 334 . 1 1 A 50 50 VAL H H 50 8.812 7.117 1.695 2
1 335 . 1 1 A 50 50 VAL HA H 50 3.672 4.997 -1.325 2
1 343 . 1 1 A 50 50 VAL N N 50 126.035 112.224 13.812 2
1 344 . 1 1 A 51 51 LYS H H 51 9.404 8.487 0.917 2
1 345 . 1 1 A 51 51 LYS HA H 51 4.617 4.067 0.550 2
1 348 . 1 1 A 51 51 LYS N N 51 132.567 122.935 9.632 2
1 349 . 1 1 A 52 52 GLU H H 52 7.835 8.113 -0.278 2
1 355 . 1 1 A 52 52 GLU N N 52 114.290 107.634 6.656 2
1 356 . 1 1 A 53 53 LEU H H 53 9.245 8.558 0.687 2
1 357 . 1 1 A 53 53 LEU HA H 53 4.671 4.841 -0.170 2
1 367 . 1 1 A 53 53 LEU N N 53 126.224 119.948 6.276 2
1 368 . 1 1 A 54 54 LYS H H 54 7.816 9.071 -1.255 2
1 369 . 1 1 A 54 54 LYS HA H 54 4.632 3.979 0.653 2
1 376 . 1 1 A 54 54 LYS N N 54 118.189 126.985 -8.796 2
1 377 . 1 1 A 55 55 VAL H H 55 7.145 8.845 -1.700 2
1 378 . 1 1 A 55 55 VAL HA H 55 4.740 4.422 0.318 2
1 386 . 1 1 A 55 55 VAL N N 55 108.573 128.622 -20.049 2
1 387 . 1 1 A 56 56 ASN H H 56 8.970 7.758 1.212 2
1 388 . 1 1 A 56 56 ASN HA H 56 5.003 4.703 0.300 2
1 393 . 1 1 A 56 56 ASN N N 56 118.276 117.442 0.834 2
1 395 . 1 1 A 57 57 VAL H H 57 8.721 8.650 0.071 2
1 396 . 1 1 A 57 57 VAL HA H 57 3.277 4.431 -1.154 2
1 404 . 1 1 A 57 57 VAL N N 57 119.437 124.904 -5.467 2
1 405 . 1 1 A 58 58 GLY H H 58 9.282 8.577 0.705 2
1 408 . 1 1 A 58 58 GLY N N 58 116.296 121.522 -5.226 2
1 409 . 1 1 A 59 59 ASP H H 59 8.035 7.308 0.727 2
1 410 . 1 1 A 59 59 ASP HA H 59 4.600 4.797 -0.197 2
1 413 . 1 1 A 59 59 ASP N N 59 121.238 115.303 5.935 2
1 414 . 1 1 A 60 60 LYS H H 60 8.577 8.768 -0.192 2
1 415 . 1 1 A 60 60 LYS HA H 60 4.648 5.197 -0.549 2
1 424 . 1 1 A 60 60 LYS N N 60 121.491 121.231 0.260 2
1 425 . 1 1 A 61 61 VAL H H 61 8.939 8.498 0.441 2
1 426 . 1 1 A 61 61 VAL HA H 61 4.461 3.470 0.991 2
1 434 . 1 1 A 61 61 VAL N N 61 121.545 122.239 -0.694 2
1 435 . 1 1 A 62 62 LYS H H 62 8.182 8.903 -0.721 2
1 443 . 1 1 A 62 62 LYS N N 62 122.901 115.178 7.723 2
1 444 . 1 1 A 63 63 THR H H 63 8.399 7.739 0.660 2
1 445 . 1 1 A 63 63 THR HA H 63 3.932 4.823 -0.891 2
1 450 . 1 1 A 63 63 THR N N 63 118.278 121.272 -2.994 2
1 451 . 1 1 A 64 64 GLY H H 64 9.075 8.468 0.607 2
1 454 . 1 1 A 64 64 GLY N N 64 115.336 124.770 -9.434 2
1 455 . 1 1 A 65 65 SER H H 65 8.207 8.422 -0.215 2
1 456 . 1 1 A 65 65 SER HA H 65 4.339 4.925 -0.586 2
1 459 . 1 1 A 65 65 SER N N 65 117.597 121.406 -3.809 2
1 460 . 1 1 A 66 66 LEU H H 66 8.666 8.462 0.204 2
1 461 . 1 1 A 66 66 LEU HA H 66 4.213 4.882 -0.669 2
1 471 . 1 1 A 66 66 LEU N N 66 124.519 125.234 -0.715 2
1 472 . 1 1 A 67 67 ILE H H 67 8.663 8.626 0.037 2
1 473 . 1 1 A 67 67 ILE HA H 67 4.853 4.013 0.840 2
1 483 . 1 1 A 67 67 ILE N N 67 115.104 116.266 -1.162 2
1 484 . 1 1 A 68 68 MET H H 68 7.736 8.915 -1.179 2
1 490 . 1 1 A 68 68 MET N N 68 118.031 114.945 3.086 2
1 491 . 1 1 A 69 69 ILE H H 69 8.735 7.726 1.009 2
1 492 . 1 1 A 69 69 ILE HA H 69 4.853 4.652 0.201 2
1 502 . 1 1 A 69 69 ILE N N 69 118.189 116.602 1.587 2
1 503 . 1 1 A 70 70 PHE H H 70 9.447 8.743 0.704 2
1 504 . 1 1 A 70 70 PHE HA H 70 5.895 4.476 1.419 2
1 512 . 1 1 A 70 70 PHE N N 70 127.483 124.794 2.689 2
1 513 . 1 1 A 71 71 GLU H H 71 9.633 8.809 0.824 2
1 514 . 1 1 A 71 71 GLU HA H 71 5.109 4.403 0.706 2
1 519 . 1 1 A 71 71 GLU N N 71 121.073 118.028 3.045 2
1 520 . 1 1 A 72 72 VAL H H 72 8.756 7.674 1.082 2
1 521 . 1 1 A 72 72 VAL HA H 72 4.669 4.774 -0.105 2
1 529 . 1 1 A 72 72 VAL N N 72 121.923 119.178 2.745 2
1 530 . 1 1 A 73 73 GLU H H 73 8.495 8.322 0.173 2
1 531 . 1 1 A 73 73 GLU HA H 73 4.374 4.777 -0.403 2
1 536 . 1 1 A 73 73 GLU N N 73 122.566 121.302 1.264 2
1 537 . 1 1 A 74 74 GLY H H 74 8.462 9.048 -0.586 2
1 540 . 1 1 A 74 74 GLY N N 74 110.596 126.176 -15.580 2
1 541 . 1 1 A 75 75 ALA H H 75 8.168 8.845 -0.677 2
1 542 . 1 1 A 75 75 ALA HA H 75 4.320 4.820 -0.500 2
1 546 . 1 1 A 75 75 ALA N N 75 123.148 122.945 0.204 2
1 547 . 1 1 A 83 83 LYS H H 83 8.334 8.413 -0.079 2
1 548 . 1 1 A 83 83 LYS HA H 83 4.318 4.455 -0.137 2
1 553 . 1 1 A 83 83 LYS N N 83 120.883 121.549 -0.666 2
1 554 . 1 1 A 84 84 GLN H H 84 8.533 8.163 0.370 2
1 555 . 1 1 A 84 84 GLN HA H 84 4.381 4.460 -0.079 2
1 560 . 1 1 A 84 84 GLN N N 84 123.135 121.687 1.448 2
1 562 . 1 1 A 85 85 GLU HA H 85 4.161 4.542 -0.381 2
stop_
save_